smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007594 969334265 /nfs/dbraw/zinc/33/42/65/969334265.db2.gz OJJLXNIKEDEZKT-DCAQKATOSA-N 1 2 223.276 1.420 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007594 969334269 /nfs/dbraw/zinc/33/42/69/969334269.db2.gz OJJLXNIKEDEZKT-DCAQKATOSA-N 1 2 223.276 1.420 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@]23CCOC3)o1 ZINC001333035446 975377387 /nfs/dbraw/zinc/37/73/87/975377387.db2.gz CGNPJDORTZHJRW-LBPRGKRZSA-N 1 2 218.256 1.516 20 30 BDEDLO COC(=O)CCCC[C@@H](C)[NH+]1CC(C#N)C1 ZINC001173447195 975387712 /nfs/dbraw/zinc/38/77/12/975387712.db2.gz PHDUPDGOJZBKFU-SNVBAGLBSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)CCCC[C@@H](C)[NH+]1CC(C)(C#N)C1 ZINC001173448115 975390389 /nfs/dbraw/zinc/39/03/89/975390389.db2.gz VDYMJUSNGVPEQP-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233624050 978651527 /nfs/dbraw/zinc/65/15/27/978651527.db2.gz WGRCPPVUAUFHCA-LLVKDONJSA-N 1 2 238.306 1.416 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233624050 978651543 /nfs/dbraw/zinc/65/15/43/978651543.db2.gz WGRCPPVUAUFHCA-LLVKDONJSA-N 1 2 238.306 1.416 20 30 BDEDLO CCn1c[nH+]cc1COC(=O)CC(C)(C)C#N ZINC001345995763 980726876 /nfs/dbraw/zinc/72/68/76/980726876.db2.gz HYGQFLCQWIAXQP-UHFFFAOYSA-N 1 2 235.287 1.886 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCCCn1cc[nH+]c1 ZINC001346788745 980906636 /nfs/dbraw/zinc/90/66/36/980906636.db2.gz YWISSGVLJIPYNM-JTQLQIEISA-N 1 2 221.260 1.366 20 30 BDEDLO C=C(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001348433798 981362409 /nfs/dbraw/zinc/36/24/09/981362409.db2.gz JGQLBCMTTNCRGQ-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCOC(C)C)C(=O)OC ZINC001172443530 974806159 /nfs/dbraw/zinc/80/61/59/974806159.db2.gz QPDMRWIOJAYVGX-NEPJUHHUSA-N 1 2 241.331 1.345 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CC1CCC(O)CC1)C1CC1 ZINC001328429467 973048138 /nfs/dbraw/zinc/04/81/38/973048138.db2.gz NSRQQSDPIVQNCV-ZBOXLXRLSA-N 1 2 222.332 1.914 20 30 BDEDLO C[C@@H](C#N)[N@H+](CC1CCC(O)CC1)C1CC1 ZINC001328429467 973048123 /nfs/dbraw/zinc/04/81/23/973048123.db2.gz NSRQQSDPIVQNCV-ZBOXLXRLSA-N 1 2 222.332 1.914 20 30 BDEDLO N#Cc1cc(NCc2ccc(N)[nH+]c2)ccn1 ZINC000308384661 971225938 /nfs/dbraw/zinc/22/59/38/971225938.db2.gz FYYWEDAZRZWMRZ-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO CN(c1[nH+]ccc2[nH]cc(C#N)c21)[C@H]1CCOC1 ZINC001158574891 971330826 /nfs/dbraw/zinc/33/08/26/971330826.db2.gz PIDNEENTFKWBHR-JTQLQIEISA-N 1 2 242.282 1.660 20 30 BDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CC)C(=O)OCC ZINC001257434414 971342800 /nfs/dbraw/zinc/34/28/00/971342800.db2.gz ZOHUBVWTSQKUAH-CKYFFXLPSA-N 1 2 211.305 1.882 20 30 BDEDLO C=C[C@@H](OCCCCC(=[NH2+])OCC)C(=O)OC ZINC001224965377 974107738 /nfs/dbraw/zinc/10/77/38/974107738.db2.gz JLYOVUWUVUKSCN-SNVBAGLBSA-N 1 2 243.303 1.915 20 30 BDEDLO C=CC[C@@](C)([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC001257669180 971473561 /nfs/dbraw/zinc/47/35/61/971473561.db2.gz ZGYJWMIARIAWAP-ZYHUDNBSSA-N 1 2 243.372 1.979 20 30 BDEDLO CC[C@@H](C#N)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257858469 971505841 /nfs/dbraw/zinc/50/58/41/971505841.db2.gz NFGHVLUCVHMPHE-YVNMAJEFSA-N 1 2 224.304 1.610 20 30 BDEDLO N#CC1([NH2+][C@H]2CCCOCC2)CCCC1 ZINC001170789385 971826464 /nfs/dbraw/zinc/82/64/64/971826464.db2.gz DGADGGIAMZQJGD-NSHDSACASA-N 1 2 208.305 1.981 20 30 BDEDLO CC[C@H](C)OCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001172329878 974594826 /nfs/dbraw/zinc/59/48/26/974594826.db2.gz JGMVHMBIIVTFNZ-RWMBFGLXSA-N 1 2 239.363 1.377 20 30 BDEDLO COCC#CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001136498746 972192140 /nfs/dbraw/zinc/19/21/40/972192140.db2.gz XTDYDKGWWGPRQY-UHFFFAOYSA-N 1 2 243.266 1.231 20 30 BDEDLO CC[C@@H](CCC(=O)OC)C[N@H+](C)[C@@H](C)C#N ZINC001208794223 957170404 /nfs/dbraw/zinc/17/04/04/957170404.db2.gz YGPICGDASVVOTO-QWRGUYRKSA-N 1 2 226.320 1.810 20 30 BDEDLO CC[C@@H](CCC(=O)OC)C[N@@H+](C)[C@@H](C)C#N ZINC001208794223 957170417 /nfs/dbraw/zinc/17/04/17/957170417.db2.gz YGPICGDASVVOTO-QWRGUYRKSA-N 1 2 226.320 1.810 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209553102 957499482 /nfs/dbraw/zinc/49/94/82/957499482.db2.gz MRTCTUWNWKMVRH-NSHDSACASA-N 1 2 249.339 1.492 20 30 BDEDLO Cc1n[nH]cc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209553102 957499493 /nfs/dbraw/zinc/49/94/93/957499493.db2.gz MRTCTUWNWKMVRH-NSHDSACASA-N 1 2 249.339 1.492 20 30 BDEDLO C#C[C@@H](OCC[NH+]1CCOCC1)c1ccncc1 ZINC001210225736 957688968 /nfs/dbraw/zinc/68/89/68/957688968.db2.gz ZLKFYBBVLWRQJU-CQSZACIVSA-N 1 2 246.310 1.105 20 30 BDEDLO CC1=C(OCCn2cc[nH+]c2)C(=O)[C@H](C)O1 ZINC001222135469 972369557 /nfs/dbraw/zinc/36/95/57/972369557.db2.gz YNYSRPGKSYXDLI-QMMMGPOBSA-N 1 2 222.244 1.119 20 30 BDEDLO C=C1O[C@@H](C)C(=O)C1OCCn1cc[nH+]c1 ZINC001222135469 972369566 /nfs/dbraw/zinc/36/95/66/972369566.db2.gz YNYSRPGKSYXDLI-QMMMGPOBSA-N 1 2 222.244 1.119 20 30 BDEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)nc2)CCO1 ZINC001140546014 958845886 /nfs/dbraw/zinc/84/58/86/958845886.db2.gz SQWHPEPFBRLMSJ-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)CCO1 ZINC001140546014 958845889 /nfs/dbraw/zinc/84/58/89/958845889.db2.gz SQWHPEPFBRLMSJ-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO N#CCc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167615210 959076508 /nfs/dbraw/zinc/07/65/08/959076508.db2.gz RVXAGNQHJJJOJP-UHFFFAOYSA-N 1 2 239.282 1.737 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=C)Cl ZINC001267212763 959199965 /nfs/dbraw/zinc/19/99/65/959199965.db2.gz SDHUBWWSWJCCNS-UHFFFAOYSA-N 1 2 244.766 1.999 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=C)Cl ZINC001267212763 959199972 /nfs/dbraw/zinc/19/99/72/959199972.db2.gz SDHUBWWSWJCCNS-UHFFFAOYSA-N 1 2 244.766 1.999 20 30 BDEDLO C=CC[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724742822 959357137 /nfs/dbraw/zinc/35/71/37/959357137.db2.gz CLILFXSBEWDIEO-NXEZZACHSA-N 1 2 246.301 1.784 20 30 BDEDLO C=C(Br)C[NH2+]Cc1cc(C)n(C)n1 ZINC000688063782 959876705 /nfs/dbraw/zinc/87/67/05/959876705.db2.gz AZHDHCQABYWMDD-UHFFFAOYSA-N 1 2 244.136 1.727 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000694967663 960061576 /nfs/dbraw/zinc/06/15/76/960061576.db2.gz UUQIFQTUMSVXOC-AWEZNQCLSA-N 1 2 246.310 1.141 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000694967663 960061586 /nfs/dbraw/zinc/06/15/86/960061586.db2.gz UUQIFQTUMSVXOC-AWEZNQCLSA-N 1 2 246.310 1.141 20 30 BDEDLO C=CC[C@H](C)C(=O)N1CC[NH+](CC=C)CC1 ZINC001144018221 972482859 /nfs/dbraw/zinc/48/28/59/972482859.db2.gz QNQIHJKFGCIGCL-LBPRGKRZSA-N 1 2 222.332 1.529 20 30 BDEDLO Cn1cnc2ccc(C[N@@H+]3CC[C@H](C#N)C3)cc21 ZINC001140738662 960534300 /nfs/dbraw/zinc/53/43/00/960534300.db2.gz KRKYCIPMVQXDAB-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO Cn1cnc2ccc(C[N@H+]3CC[C@H](C#N)C3)cc21 ZINC001140738662 960534317 /nfs/dbraw/zinc/53/43/17/960534317.db2.gz KRKYCIPMVQXDAB-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO N#C[C@@H]1C[C@H](F)CN1Cc1ccn2cc[nH+]c2c1 ZINC001141050037 960838580 /nfs/dbraw/zinc/83/85/80/960838580.db2.gz XXYTYOJOKKKHQY-RYUDHWBXSA-N 1 2 244.273 1.770 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccc(OC)c1F ZINC001141223216 960965923 /nfs/dbraw/zinc/96/59/23/960965923.db2.gz SVJRQZNSGJMUJC-UHFFFAOYSA-N 1 2 207.248 1.899 20 30 BDEDLO C#CC[N@H+](C)Cc1cccc(OC)c1F ZINC001141223216 960965954 /nfs/dbraw/zinc/96/59/54/960965954.db2.gz SVJRQZNSGJMUJC-UHFFFAOYSA-N 1 2 207.248 1.899 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CCC1 ZINC001268230211 961449227 /nfs/dbraw/zinc/44/92/27/961449227.db2.gz SMTGGSFVPDFTGM-UHFFFAOYSA-N 1 2 244.766 1.929 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1CCC1 ZINC001268230211 961449243 /nfs/dbraw/zinc/44/92/43/961449243.db2.gz SMTGGSFVPDFTGM-UHFFFAOYSA-N 1 2 244.766 1.929 20 30 BDEDLO C=C(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001142507921 961460595 /nfs/dbraw/zinc/46/05/95/961460595.db2.gz XSFFRLJUPNEFLK-UHFFFAOYSA-N 1 2 201.229 1.849 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCC ZINC001481667123 961538332 /nfs/dbraw/zinc/53/83/32/961538332.db2.gz KOIDTRUQQWVZQG-AGIUHOORSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCC ZINC001481667123 961538344 /nfs/dbraw/zinc/53/83/44/961538344.db2.gz KOIDTRUQQWVZQG-AGIUHOORSA-N 1 2 234.343 1.341 20 30 BDEDLO N#CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001143196889 961933315 /nfs/dbraw/zinc/93/33/15/961933315.db2.gz JWQYYCUAICZKEF-SNVBAGLBSA-N 1 2 232.287 1.419 20 30 BDEDLO CC(=O)/C=C(/C)NC(=O)c1cccc2[nH+]ccn21 ZINC001154526648 962791682 /nfs/dbraw/zinc/79/16/82/962791682.db2.gz YBCNOQNNLVTGBR-HJWRWDBZSA-N 1 2 243.266 1.557 20 30 BDEDLO Cc1cnc(N2CC[NH2+]C[C@@H]2C#N)c(C)c1 ZINC001156320019 963310007 /nfs/dbraw/zinc/31/00/07/963310007.db2.gz MLMKDYARNXAOBF-NSHDSACASA-N 1 2 216.288 1.000 20 30 BDEDLO CSCc1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156332910 963317438 /nfs/dbraw/zinc/31/74/38/963317438.db2.gz QQBANGROFLTUDJ-NSHDSACASA-N 1 2 248.355 1.246 20 30 BDEDLO CCN(c1nccc(OC)c1C#N)C1C[NH+](C)C1 ZINC001157455486 963613956 /nfs/dbraw/zinc/61/39/56/963613956.db2.gz LVSLOFITWUDLID-UHFFFAOYSA-N 1 2 246.314 1.102 20 30 BDEDLO C#CCN(CC#C)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001157562253 963664098 /nfs/dbraw/zinc/66/40/98/963664098.db2.gz IJCWFNKSNOWVJT-UHFFFAOYSA-N 1 2 234.262 1.507 20 30 BDEDLO CN1C[C@H](CNc2cc(CC#N)cc[nH+]2)CC1=O ZINC001157908375 963761690 /nfs/dbraw/zinc/76/16/90/963761690.db2.gz GFTIAGGRQLKHKS-NSHDSACASA-N 1 2 244.298 1.038 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(F)c(F)cc1O ZINC001142530353 964371717 /nfs/dbraw/zinc/37/17/17/964371717.db2.gz FNYSBFMIMKUQIG-UHFFFAOYSA-N 1 2 235.233 1.739 20 30 BDEDLO Cc1c[nH+]c(NC2(C#N)CCOCC2)cc1N ZINC001161478766 964614080 /nfs/dbraw/zinc/61/40/80/964614080.db2.gz BUVMUMXOZIRAPB-UHFFFAOYSA-N 1 2 232.287 1.457 20 30 BDEDLO C#CCNc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001163362601 965365678 /nfs/dbraw/zinc/36/56/78/965365678.db2.gz ZLVGISSSOQIWMA-UHFFFAOYSA-N 1 2 227.271 1.324 20 30 BDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC4(CCO4)C3)c12 ZINC001166942581 966464892 /nfs/dbraw/zinc/46/48/92/966464892.db2.gz XZMDJIAUTWHHHQ-UHFFFAOYSA-N 1 2 240.266 1.414 20 30 BDEDLO CN(c1[nH+]ccc2[nH]cc(C#N)c21)C1(C)COC1 ZINC001166985689 966509248 /nfs/dbraw/zinc/50/92/48/966509248.db2.gz GYVURKNVRLGEMN-UHFFFAOYSA-N 1 2 242.282 1.660 20 30 BDEDLO C#Cc1cc(Nc2ccc(N)nc2F)cc[nH+]1 ZINC001203608777 966704648 /nfs/dbraw/zinc/70/46/48/966704648.db2.gz DFPVHFWYTKEDSW-UHFFFAOYSA-N 1 2 228.230 1.345 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204009746 966841308 /nfs/dbraw/zinc/84/13/08/966841308.db2.gz GDYXFMYPYAWYRM-UHFFFAOYSA-N 1 2 205.305 1.318 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3ccc[nH]3)CC[C@H]2S1 ZINC001204004453 966845926 /nfs/dbraw/zinc/84/59/26/966845926.db2.gz CJIKSPGHZBMOOS-LLVKDONJSA-N 1 2 234.324 1.789 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3ccc[nH]3)CC[C@H]2S1 ZINC001204004453 966845927 /nfs/dbraw/zinc/84/59/27/966845927.db2.gz CJIKSPGHZBMOOS-LLVKDONJSA-N 1 2 234.324 1.789 20 30 BDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204010245 966846510 /nfs/dbraw/zinc/84/65/10/966846510.db2.gz ICXVVBYZGPDDLW-UHFFFAOYSA-N 1 2 247.298 1.293 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001032398123 966855246 /nfs/dbraw/zinc/85/52/46/966855246.db2.gz UGPSTRSWYJHZHO-KBPBESRZSA-N 1 2 244.338 1.405 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001032398123 966855247 /nfs/dbraw/zinc/85/52/47/966855247.db2.gz UGPSTRSWYJHZHO-KBPBESRZSA-N 1 2 244.338 1.405 20 30 BDEDLO C#CCN1CC[NH+](Cc2cccc(C)n2)CC1 ZINC001204068213 966874545 /nfs/dbraw/zinc/87/45/45/966874545.db2.gz XSLGYMOGDNJVBV-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3cccnc3)CC[C@H]2S1 ZINC001204074410 966881972 /nfs/dbraw/zinc/88/19/72/966881972.db2.gz MYPKICFAKUUQKC-GFCCVEGCSA-N 1 2 246.335 1.856 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3cccnc3)CC[C@H]2S1 ZINC001204074410 966881977 /nfs/dbraw/zinc/88/19/77/966881977.db2.gz MYPKICFAKUUQKC-GFCCVEGCSA-N 1 2 246.335 1.856 20 30 BDEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1O ZINC001204111975 966893477 /nfs/dbraw/zinc/89/34/77/966893477.db2.gz JPIJSAYNHBCGHG-UHFFFAOYSA-N 1 2 232.283 1.746 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(O)c(O)c(OC)c1 ZINC001204348668 966975773 /nfs/dbraw/zinc/97/57/73/966975773.db2.gz HQPLWZMNSFTWOO-UHFFFAOYSA-N 1 2 245.278 1.175 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C)c(C)o1 ZINC001204539093 967039444 /nfs/dbraw/zinc/03/94/44/967039444.db2.gz LHJPPSOOTVSYFS-UHFFFAOYSA-N 1 2 201.269 1.965 20 30 BDEDLO Cn1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001204984963 967273629 /nfs/dbraw/zinc/27/36/29/967273629.db2.gz FWOOFGWIUCFNPJ-NSHDSACASA-N 1 2 249.339 1.194 20 30 BDEDLO Cn1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001204984963 967273638 /nfs/dbraw/zinc/27/36/38/967273638.db2.gz FWOOFGWIUCFNPJ-NSHDSACASA-N 1 2 249.339 1.194 20 30 BDEDLO N#CCCCc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001250059803 967325023 /nfs/dbraw/zinc/32/50/23/967325023.db2.gz OQZMFYCIPPEAOZ-UHFFFAOYSA-N 1 2 230.311 1.709 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)NCCCCC#N)c[nH+]1 ZINC000826707939 968673370 /nfs/dbraw/zinc/67/33/70/968673370.db2.gz PCPRQKRUMBFBNK-UHFFFAOYSA-N 1 2 248.330 1.737 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccnn2C(C)C)CC1 ZINC001207174855 968677811 /nfs/dbraw/zinc/67/78/11/968677811.db2.gz OEAGRMNPUKWKKR-UHFFFAOYSA-N 1 2 246.358 1.215 20 30 BDEDLO C=C[C@](C)(O)CNc1c[nH+]ccc1OCC ZINC001252543239 968778210 /nfs/dbraw/zinc/77/82/10/968778210.db2.gz PTBXTRVCTSDCGI-LBPRGKRZSA-N 1 2 222.288 1.829 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520379 968779918 /nfs/dbraw/zinc/77/99/18/968779918.db2.gz LTUSGSDIQDWLFR-NSHDSACASA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520379 968779926 /nfs/dbraw/zinc/77/99/26/968779926.db2.gz LTUSGSDIQDWLFR-NSHDSACASA-N 1 2 248.330 1.050 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](C)C(=O)OCCCC ZINC001252574061 968825741 /nfs/dbraw/zinc/82/57/41/968825741.db2.gz LFUBYBXNAWFVKB-CMPLNLGQSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001252584716 968836724 /nfs/dbraw/zinc/83/67/24/968836724.db2.gz DTXSSRIZPKVZRA-LLVKDONJSA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252593528 968853844 /nfs/dbraw/zinc/85/38/44/968853844.db2.gz JHEQMMFXRUSZPW-GARJFASQSA-N 1 2 219.275 1.695 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252593528 968853846 /nfs/dbraw/zinc/85/38/46/968853846.db2.gz JHEQMMFXRUSZPW-GARJFASQSA-N 1 2 219.275 1.695 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001252620736 968879456 /nfs/dbraw/zinc/87/94/56/968879456.db2.gz YYEIKNRZKSBDCV-GHMZBOCLSA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@](C)(CC=C)C(=O)OC ZINC001252625649 968885404 /nfs/dbraw/zinc/88/54/04/968885404.db2.gz XJEAGCGSAUEAOS-WCQYABFASA-N 1 2 241.331 1.411 20 30 BDEDLO CC1(CO[NH+]=C(N)c2ccc(F)cc2)COC1 ZINC000742353176 968948247 /nfs/dbraw/zinc/94/82/47/968948247.db2.gz SNULZMJRFSVMFR-UHFFFAOYSA-N 1 2 238.262 1.499 20 30 BDEDLO C=C[C@@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001253574746 969247415 /nfs/dbraw/zinc/24/74/15/969247415.db2.gz RNQDESBCQVLDRJ-LLVKDONJSA-N 1 2 221.304 1.497 20 30 BDEDLO C=C[C@H](O)C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001253584441 969263383 /nfs/dbraw/zinc/26/33/83/969263383.db2.gz NEANGRIPFUNNCS-NSHDSACASA-N 1 2 237.274 1.436 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976012 969296609 /nfs/dbraw/zinc/29/66/09/969296609.db2.gz YGVGQKHCOWOXJT-UTUOFQBUSA-N 1 2 239.319 1.960 20 30 BDEDLO CC(C)C[C@H](C#N)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987742 969341797 /nfs/dbraw/zinc/34/17/97/969341797.db2.gz JYVZGOXVQMRWOY-GRYCIOLGSA-N 1 2 239.319 1.960 20 30 BDEDLO C=CC[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254666388 969774065 /nfs/dbraw/zinc/77/40/65/969774065.db2.gz VGJQKTFRRMNAFA-OLZOCXBDSA-N 1 2 219.332 1.482 20 30 BDEDLO CCN1C[C@@H](C)[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC001254673361 969780745 /nfs/dbraw/zinc/78/07/45/969780745.db2.gz JJZZVTJLOLHUON-GRYCIOLGSA-N 1 2 235.331 1.231 20 30 BDEDLO CCN1C[C@@H](C)[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC001254673361 969780748 /nfs/dbraw/zinc/78/07/48/969780748.db2.gz JJZZVTJLOLHUON-GRYCIOLGSA-N 1 2 235.331 1.231 20 30 BDEDLO Cc1[nH+]cc(Nc2c(C#N)cnn2C)cc1N ZINC001210287163 969854585 /nfs/dbraw/zinc/85/45/85/969854585.db2.gz MYWZSJZALBROFD-UHFFFAOYSA-N 1 2 228.259 1.321 20 30 BDEDLO N#Cc1cc(Nc2[nH+]cccc2N)ccc1O ZINC001210528036 969929293 /nfs/dbraw/zinc/92/92/93/969929293.db2.gz RWCVNCQNXCHSND-UHFFFAOYSA-N 1 2 226.239 1.985 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001255166333 969981382 /nfs/dbraw/zinc/98/13/82/969981382.db2.gz IVJVROKIYPLTLM-BBBLOLIVSA-N 1 2 230.258 1.645 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001255166333 969981388 /nfs/dbraw/zinc/98/13/88/969981388.db2.gz IVJVROKIYPLTLM-BBBLOLIVSA-N 1 2 230.258 1.645 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCSCC)CC1 ZINC001112644940 970129500 /nfs/dbraw/zinc/12/95/00/970129500.db2.gz 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/nfs/dbraw/zinc/24/48/71/973244871.db2.gz VTAHNZSIZAASIP-CYBMUJFWSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncccc1Cl ZINC001328834203 973370059 /nfs/dbraw/zinc/37/00/59/973370059.db2.gz NIGZMOKMMNNQKJ-UHFFFAOYSA-N 1 2 238.718 1.817 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncccc1Cl ZINC001328834203 973370078 /nfs/dbraw/zinc/37/00/78/973370078.db2.gz NIGZMOKMMNNQKJ-UHFFFAOYSA-N 1 2 238.718 1.817 20 30 BDEDLO N#CCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001329104196 973484844 /nfs/dbraw/zinc/48/48/44/973484844.db2.gz CYSJIWYPRZFUDI-JTQLQIEISA-N 1 2 232.287 1.008 20 30 BDEDLO COC(=O)[C@H]1C[C@H]1CNc1cc(CC#N)cc[nH+]1 ZINC001161040753 973637179 /nfs/dbraw/zinc/63/71/79/973637179.db2.gz GHBRVMDCGXBWBV-QWRGUYRKSA-N 1 2 245.282 1.369 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171794170 974183255 /nfs/dbraw/zinc/18/32/55/974183255.db2.gz OJQYLCMXESUGDB-RYUDHWBXSA-N 1 2 245.301 1.090 20 30 BDEDLO N#CC1([NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)CCCC1 ZINC001172173821 974429962 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ZINC001172925015 974972411 /nfs/dbraw/zinc/97/24/11/974972411.db2.gz VLWCUYLBLMFBGN-AEJSXWLSSA-N 1 2 247.360 1.005 20 30 BDEDLO C[C@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001173174026 975050908 /nfs/dbraw/zinc/05/09/08/975050908.db2.gz ZSQSASSZFYUHMU-QJPTWQEYSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@H]1C[C@H]([N@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001173174026 975050916 /nfs/dbraw/zinc/05/09/16/975050916.db2.gz ZSQSASSZFYUHMU-QJPTWQEYSA-N 1 2 208.305 1.932 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)o1 ZINC001333035446 975377378 /nfs/dbraw/zinc/37/73/78/975377378.db2.gz CGNPJDORTZHJRW-LBPRGKRZSA-N 1 2 218.256 1.516 20 30 BDEDLO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](C)[C@H](C)C#N)C1 ZINC001173657119 975515199 /nfs/dbraw/zinc/51/51/99/975515199.db2.gz GZRQNKDJVUXTGY-UTUOFQBUSA-N 1 2 238.331 1.952 20 30 BDEDLO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C)[C@H](C)C#N)C1 ZINC001173657119 975515214 /nfs/dbraw/zinc/51/52/14/975515214.db2.gz GZRQNKDJVUXTGY-UTUOFQBUSA-N 1 2 238.331 1.952 20 30 BDEDLO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173749205 975542052 /nfs/dbraw/zinc/54/20/52/975542052.db2.gz GJNPFEMTIRKQIR-MXWKQRLJSA-N 1 2 234.307 1.049 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173773102 975603082 /nfs/dbraw/zinc/60/30/82/975603082.db2.gz ZMVYWVFOHLZZKE-OUAUKWLOSA-N 1 2 234.307 1.001 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173773102 975603088 /nfs/dbraw/zinc/60/30/88/975603088.db2.gz ZMVYWVFOHLZZKE-OUAUKWLOSA-N 1 2 234.307 1.001 20 30 BDEDLO N#CC1(C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC001333371043 975720649 /nfs/dbraw/zinc/72/06/49/975720649.db2.gz GKQURVUAUFUYFN-UHFFFAOYSA-N 1 2 246.310 1.628 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001333574533 975860924 /nfs/dbraw/zinc/86/09/24/975860924.db2.gz OMMCVXIOWRZPSH-QWRGUYRKSA-N 1 2 219.288 1.621 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1nn(CC)nc1C ZINC001334388608 976485857 /nfs/dbraw/zinc/48/58/57/976485857.db2.gz YLLRTGAODNVNJI-KOLCDFICSA-N 1 2 238.335 1.458 20 30 BDEDLO CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@H](C)C#N ZINC001334611145 976565999 /nfs/dbraw/zinc/56/59/99/976565999.db2.gz OUVQJWAFLABSLZ-NXEZZACHSA-N 1 2 220.276 1.205 20 30 BDEDLO N#Cc1ccn(-c2cc[nH+]c3[nH]ccc32)c1N ZINC001174410323 976698596 /nfs/dbraw/zinc/69/85/96/976698596.db2.gz UCSLEFBXVTXMEJ-UHFFFAOYSA-N 1 2 223.239 1.759 20 30 BDEDLO C[NH+]1CC(Oc2ncnc3ccc(C#N)cc32)C1 ZINC001229102217 976729228 /nfs/dbraw/zinc/72/92/28/976729228.db2.gz IGIPXTIDSGHFRR-UHFFFAOYSA-N 1 2 240.266 1.194 20 30 BDEDLO C[C@@]1([NH2+]Cc2cccc(F)c2C#N)CCNC1=O ZINC001335132869 976860873 /nfs/dbraw/zinc/86/08/73/976860873.db2.gz YLIBWUFSMKWOJE-CYBMUJFWSA-N 1 2 247.273 1.066 20 30 BDEDLO C#C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001335379957 977013260 /nfs/dbraw/zinc/01/32/60/977013260.db2.gz FCNOKHXOAYRJIH-LLVKDONJSA-N 1 2 222.219 1.366 20 30 BDEDLO C#CCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001335990656 977409469 /nfs/dbraw/zinc/40/94/69/977409469.db2.gz 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RJEJCAWIVOVFSX-ZDUSSCGKSA-N 1 2 243.310 1.316 20 30 BDEDLO Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(C#N)c1 ZINC001232962807 978362958 /nfs/dbraw/zinc/36/29/58/978362958.db2.gz RJEJCAWIVOVFSX-ZDUSSCGKSA-N 1 2 243.310 1.316 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)OCCCC)C1 ZINC001337649541 978442784 /nfs/dbraw/zinc/44/27/84/978442784.db2.gz KDRSTCYPVWGCBW-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](CC(=O)OCCCC)C1 ZINC001337649541 978442790 /nfs/dbraw/zinc/44/27/90/978442790.db2.gz KDRSTCYPVWGCBW-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO Cc1coc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001177922814 978474293 /nfs/dbraw/zinc/47/42/93/978474293.db2.gz PYRQSUXYNZIGAW-SECBINFHSA-N 1 2 244.254 1.856 20 30 BDEDLO C#CC[NH+](CC#C)Cc1[nH]nc2cc(F)ccc21 ZINC001233129087 978474791 /nfs/dbraw/zinc/47/47/91/978474791.db2.gz WCPNCODCYQMVAL-UHFFFAOYSA-N 1 2 241.269 1.770 20 30 BDEDLO C=C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC001337772144 978492038 /nfs/dbraw/zinc/49/20/38/978492038.db2.gz MVWXNOBFVVQYOJ-UHFFFAOYSA-N 1 2 214.272 1.886 20 30 BDEDLO CC[NH+]1CCN(Cc2ccc(C#N)cc2O)CC1 ZINC001233383375 978591259 /nfs/dbraw/zinc/59/12/59/978591259.db2.gz FVLJHLCSFMIIOV-UHFFFAOYSA-N 1 2 245.326 1.401 20 30 BDEDLO CCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383375 978591267 /nfs/dbraw/zinc/59/12/67/978591267.db2.gz FVLJHLCSFMIIOV-UHFFFAOYSA-N 1 2 245.326 1.401 20 30 BDEDLO C[N@H+](CCF)Cc1ccc(C#N)cc1O ZINC001233388271 978599735 /nfs/dbraw/zinc/59/97/35/978599735.db2.gz SCOGRDPLICWMFY-UHFFFAOYSA-N 1 2 208.236 1.665 20 30 BDEDLO C[N@@H+](CCF)Cc1ccc(C#N)cc1O ZINC001233388271 978599741 /nfs/dbraw/zinc/59/97/41/978599741.db2.gz SCOGRDPLICWMFY-UHFFFAOYSA-N 1 2 208.236 1.665 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001179889420 978771908 /nfs/dbraw/zinc/77/19/08/978771908.db2.gz YCACYYDRWRYKRM-MRVPVSSYSA-N 1 2 215.256 1.090 20 30 BDEDLO Cc1c[nH+]cc(C)c1NC(=O)CSCC#N ZINC001339102987 978795459 /nfs/dbraw/zinc/79/54/59/978795459.db2.gz LWDWMDDSPBJLFI-UHFFFAOYSA-N 1 2 235.312 1.316 20 30 BDEDLO C=C(C)COCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001340445257 979020728 /nfs/dbraw/zinc/02/07/28/979020728.db2.gz KSGRWCQSFOYDEK-NSHDSACASA-N 1 2 237.303 1.153 20 30 BDEDLO CC(=O)NC1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235523286 979063745 /nfs/dbraw/zinc/06/37/45/979063745.db2.gz QHDXIKRASYQATG-UHFFFAOYSA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1CC#N ZINC001235523104 979065683 /nfs/dbraw/zinc/06/56/83/979065683.db2.gz KTNRKLDTEJEXKJ-LLVKDONJSA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1CC#N ZINC001235523104 979065693 /nfs/dbraw/zinc/06/56/93/979065693.db2.gz KTNRKLDTEJEXKJ-LLVKDONJSA-N 1 2 243.310 1.073 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2cn(CC)nc2C)C1 ZINC001184337027 980043366 /nfs/dbraw/zinc/04/33/66/980043366.db2.gz FFRSWNQRRZPURG-UHFFFAOYSA-N 1 2 235.331 1.334 20 30 BDEDLO N#Cc1cc(C[NH+]2CC(CO)C2)ccc1Cl ZINC001238194512 980224479 /nfs/dbraw/zinc/22/44/79/980224479.db2.gz ORIXLWJSCPHRQA-UHFFFAOYSA-N 1 2 236.702 1.636 20 30 BDEDLO C=C(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC001346438611 980837005 /nfs/dbraw/zinc/83/70/05/980837005.db2.gz XTZFZUHQKILKPH-UHFFFAOYSA-N 1 2 221.304 1.746 20 30 BDEDLO CN(CC#N)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190096869 980846089 /nfs/dbraw/zinc/84/60/89/980846089.db2.gz DUBAFECDXMQVSG-UHFFFAOYSA-N 1 2 240.266 1.468 20 30 BDEDLO C#CCN(CC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001346555203 980861821 /nfs/dbraw/zinc/86/18/21/980861821.db2.gz FZDWBPYEEMGGDM-UHFFFAOYSA-N 1 2 231.299 1.214 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CCc1[nH+]ccn1C ZINC001347591155 981122737 /nfs/dbraw/zinc/12/27/37/981122737.db2.gz AMLCIXDNDCOUGG-SNVBAGLBSA-N 1 2 234.303 1.113 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OC(C)C)CC1 ZINC001193468726 981339973 /nfs/dbraw/zinc/33/99/73/981339973.db2.gz JTMBHJIHRLEKKX-UHFFFAOYSA-N 1 2 212.293 1.335 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OC2CCCC2)CC1 ZINC001193546220 981361118 /nfs/dbraw/zinc/36/11/18/981361118.db2.gz BYCZPXMQBOOAMT-UHFFFAOYSA-N 1 2 238.331 1.869 20 30 BDEDLO Cc1nc(-c2ccn3cc[nH+]c3c2)cnc1C#N ZINC001240496802 981417338 /nfs/dbraw/zinc/41/73/38/981417338.db2.gz IPOQOWZNWSNXES-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C#Cc1cccc(N(C)C(=O)Cc2c[nH]c[nH+]2)c1 ZINC001585089886 981905759 /nfs/dbraw/zinc/90/57/59/981905759.db2.gz GUNZHYWYLGBAMU-UHFFFAOYSA-N 1 2 239.278 1.597 20 30 BDEDLO C[C@H](C(=O)N1CC[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC001351099938 982201134 /nfs/dbraw/zinc/20/11/34/982201134.db2.gz UNDCJUVCFZEEKW-PWSUYJOCSA-N 1 2 232.287 1.206 20 30 BDEDLO N#Cc1cc(-c2cc[nH+]c(N)c2)cnc1F ZINC001241170522 982258691 /nfs/dbraw/zinc/25/86/91/982258691.db2.gz MKVIFYOBVRVVIF-UHFFFAOYSA-N 1 2 214.203 1.737 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001351627592 982346334 /nfs/dbraw/zinc/34/63/34/982346334.db2.gz IGIPVOVYDBCBJV-VXGBXAGGSA-N 1 2 233.315 1.869 20 30 BDEDLO CC(C)C#CC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195774933 982353286 /nfs/dbraw/zinc/35/32/86/982353286.db2.gz IKXXDRLHUGEKOH-UHFFFAOYSA-N 1 2 240.322 1.150 20 30 BDEDLO CC(C)C#CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195774933 982353295 /nfs/dbraw/zinc/35/32/95/982353295.db2.gz IKXXDRLHUGEKOH-UHFFFAOYSA-N 1 2 240.322 1.150 20 30 BDEDLO C[NH+]1CC(NC(=S)Nc2cccc(C#N)c2)C1 ZINC001197726516 982589170 /nfs/dbraw/zinc/58/91/70/982589170.db2.gz MPHBJHHBEGSIPR-UHFFFAOYSA-N 1 2 246.339 1.159 20 30 BDEDLO C=CCNC(=S)NCc1ccc2[nH+]ccn2c1 ZINC001200303747 982835815 /nfs/dbraw/zinc/83/58/15/982835815.db2.gz XAUCMLVKZIUOIS-UHFFFAOYSA-N 1 2 246.339 1.484 20 30 BDEDLO C#CCOC[C@H](O)CNc1c(C)cc[nH+]c1CC ZINC001251832126 982849688 /nfs/dbraw/zinc/84/96/88/982849688.db2.gz CQAVGJZMNZJZIF-GFCCVEGCSA-N 1 2 248.326 1.375 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1nnc(C)c(C)c1C#N ZINC001242070688 983305456 /nfs/dbraw/zinc/30/54/56/983305456.db2.gz JNMIVLZMHIXKFT-UHFFFAOYSA-N 1 2 239.282 1.918 20 30 BDEDLO C=C(C)C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)[O-] ZINC001588553981 983629364 /nfs/dbraw/zinc/62/93/64/983629364.db2.gz WWNXWTWUEHHAHE-NSHDSACASA-N 1 2 249.314 1.338 20 30 BDEDLO Cc1cc(-c2ccc[nH+]c2N)cnc1C#N ZINC001242356988 983640972 /nfs/dbraw/zinc/64/09/72/983640972.db2.gz ZVOKGJOITGTUAB-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1CCC1 ZINC001275486456 984579471 /nfs/dbraw/zinc/57/94/71/984579471.db2.gz GFIHUOMANKUUKG-JTQLQIEISA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1CCC1 ZINC001275486456 984579477 /nfs/dbraw/zinc/57/94/77/984579477.db2.gz GFIHUOMANKUUKG-JTQLQIEISA-N 1 2 244.766 1.976 20 30 BDEDLO COc1cnc(C2=C[NH2+]CCC2)c(C#N)c1 ZINC001243946920 985613549 /nfs/dbraw/zinc/61/35/49/985613549.db2.gz BHRIWDZONGDCSW-UHFFFAOYSA-N 1 2 215.256 1.686 20 30 BDEDLO Cc1nc(C2=C[NH2+]CCC2)cnc1C#N ZINC001243950218 985640365 /nfs/dbraw/zinc/64/03/65/985640365.db2.gz YRHSEQJTDHXCBT-UHFFFAOYSA-N 1 2 200.245 1.381 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001253584925 986168807 /nfs/dbraw/zinc/16/88/07/986168807.db2.gz SMCPJIPWYGCTFF-YPMHNXCESA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001253584925 986168818 /nfs/dbraw/zinc/16/88/18/986168818.db2.gz SMCPJIPWYGCTFF-YPMHNXCESA-N 1 2 234.299 1.002 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)ccn2C)C1 ZINC001042650741 986329253 /nfs/dbraw/zinc/32/92/53/986329253.db2.gz PHPIVSYOXVQVEF-UHFFFAOYSA-N 1 2 247.342 1.276 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@@H+]2Cc3cncnc3C2)C1 ZINC001254659903 986701447 /nfs/dbraw/zinc/70/14/47/986701447.db2.gz DLGDIRLMVRWYQP-GXSJLCMTSA-N 1 2 214.272 1.484 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@H+]2Cc3cncnc3C2)C1 ZINC001254659903 986701461 /nfs/dbraw/zinc/70/14/61/986701461.db2.gz DLGDIRLMVRWYQP-GXSJLCMTSA-N 1 2 214.272 1.484 20 30 BDEDLO N#C[C@@H]1CC[C@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001254660236 986706733 /nfs/dbraw/zinc/70/67/33/986706733.db2.gz GZQLIBHWTISSAG-ZJUUUORDSA-N 1 2 229.274 1.219 20 30 BDEDLO CC(C)(C)N1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC001254670401 986721724 /nfs/dbraw/zinc/72/17/24/986721724.db2.gz JGINQPBJXBIGJB-NWDGAFQWSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)(C)N1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC001254670401 986721730 /nfs/dbraw/zinc/72/17/30/986721730.db2.gz JGINQPBJXBIGJB-NWDGAFQWSA-N 1 2 249.358 1.621 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001255175618 986869546 /nfs/dbraw/zinc/86/95/46/986869546.db2.gz SAYVXUYVJOFOAV-CMPLNLGQSA-N 1 2 237.303 1.253 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001255175618 986869548 /nfs/dbraw/zinc/86/95/48/986869548.db2.gz SAYVXUYVJOFOAV-CMPLNLGQSA-N 1 2 237.303 1.253 20 30 BDEDLO Cc1cc(-c2ccnc(C#N)n2)c[nH+]c1N ZINC001245536111 986912330 /nfs/dbraw/zinc/91/23/30/986912330.db2.gz LNMSDYHOJOWOIN-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C[C@H](Cc1ccccc1F)N1CC[NH2+]C[C@@H]1C#N ZINC001255846208 987074928 /nfs/dbraw/zinc/07/49/28/987074928.db2.gz MLUKTCOIDHNJNG-YPMHNXCESA-N 1 2 247.317 1.554 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001115954871 987421133 /nfs/dbraw/zinc/42/11/33/987421133.db2.gz AGSBUYHIZQEVPF-VHSXEESVSA-N 1 2 220.276 1.253 20 30 BDEDLO CN(C)c1cccc(CN2CC(C)(C#N)C2)[nH+]1 ZINC001473433876 987431295 /nfs/dbraw/zinc/43/12/95/987431295.db2.gz GTBQQSFHXPKCAF-UHFFFAOYSA-N 1 2 230.315 1.493 20 30 BDEDLO Cc1[nH]c([C@@H]2CCCN2CC#N)[nH+]c1C ZINC001473790659 987555657 /nfs/dbraw/zinc/55/56/57/987555657.db2.gz MJDQMRNDKMYRTF-JTQLQIEISA-N 1 2 204.277 1.687 20 30 BDEDLO CC(C)n1cncc1C[NH2+][C@@H](C)CC#N ZINC001474250626 987668478 /nfs/dbraw/zinc/66/84/78/987668478.db2.gz GOTLSCQZZPWYAO-JTQLQIEISA-N 1 2 206.293 1.856 20 30 BDEDLO C#CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001117795019 987922947 /nfs/dbraw/zinc/92/29/47/987922947.db2.gz IRIMMGRASLQJOT-SNVBAGLBSA-N 1 2 217.272 1.068 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)OC ZINC001480848211 988058495 /nfs/dbraw/zinc/05/84/95/988058495.db2.gz LCDXXYLYOSJWII-SNVBAGLBSA-N 1 2 248.754 1.212 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)OC ZINC001480848211 988058510 /nfs/dbraw/zinc/05/85/10/988058510.db2.gz LCDXXYLYOSJWII-SNVBAGLBSA-N 1 2 248.754 1.212 20 30 BDEDLO C=CCC(CC=C)C(=O)NC1C[NH+](CC)C1 ZINC001494389999 988146090 /nfs/dbraw/zinc/14/60/90/988146090.db2.gz UUGDEERWSJAGID-UHFFFAOYSA-N 1 2 222.332 1.575 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CCCCCC)C1 ZINC001494492542 988148069 /nfs/dbraw/zinc/14/80/69/988148069.db2.gz MVMOMWZTXYPDCN-UHFFFAOYSA-N 1 2 224.348 1.943 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+](CCF)C1 ZINC001494583386 988167402 /nfs/dbraw/zinc/16/74/02/988167402.db2.gz HTLPRRSEJOKGLF-LLVKDONJSA-N 1 2 242.338 1.606 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)CC ZINC001499048113 988528188 /nfs/dbraw/zinc/52/81/88/988528188.db2.gz OBFRHGYPTAWEOZ-LBPRGKRZSA-N 1 2 236.359 1.636 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)CC ZINC001499048113 988528194 /nfs/dbraw/zinc/52/81/94/988528194.db2.gz OBFRHGYPTAWEOZ-LBPRGKRZSA-N 1 2 236.359 1.636 20 30 BDEDLO C[C@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC(C)(C)C1 ZINC001246887998 988653936 /nfs/dbraw/zinc/65/39/36/988653936.db2.gz PIKOSZCYFIBROC-AVGNSLFASA-N 1 2 235.375 1.999 20 30 BDEDLO C[C@H](C#N)C[N@H+](CCOC(=O)N(C)C)C1CC1 ZINC001324085205 988693549 /nfs/dbraw/zinc/69/35/49/988693549.db2.gz LZPLSSQTYDMQBS-SNVBAGLBSA-N 1 2 239.319 1.309 20 30 BDEDLO C[C@H](C#N)C[N@@H+](CCOC(=O)N(C)C)C1CC1 ZINC001324085205 988693561 /nfs/dbraw/zinc/69/35/61/988693561.db2.gz LZPLSSQTYDMQBS-SNVBAGLBSA-N 1 2 239.319 1.309 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc3n2CCC3)CC1 ZINC001248824489 989169351 /nfs/dbraw/zinc/16/93/51/989169351.db2.gz PDCPSZJQMAKNSA-UHFFFAOYSA-N 1 2 243.354 1.185 20 30 BDEDLO Cn1c(C[N@@H+]2CC[C@@](C)(C#N)C2)cccc1=O ZINC001248809710 989172135 /nfs/dbraw/zinc/17/21/35/989172135.db2.gz HSWDWPZBOSHLEN-ZDUSSCGKSA-N 1 2 231.299 1.121 20 30 BDEDLO Cn1c(C[N@H+]2CC[C@@](C)(C#N)C2)cccc1=O ZINC001248809710 989172147 /nfs/dbraw/zinc/17/21/47/989172147.db2.gz HSWDWPZBOSHLEN-ZDUSSCGKSA-N 1 2 231.299 1.121 20 30 BDEDLO CCCCCCCNC(=S)NC1C[NH+](C)C1 ZINC001249646403 989334688 /nfs/dbraw/zinc/33/46/88/989334688.db2.gz ZOEMEYGZQPXHBM-UHFFFAOYSA-N 1 2 243.420 1.735 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC001119728898 989369953 /nfs/dbraw/zinc/36/99/53/989369953.db2.gz LWVPYOBOFNYFLX-ZDUSSCGKSA-N 1 2 230.315 1.789 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC001119728898 989369962 /nfs/dbraw/zinc/36/99/62/989369962.db2.gz LWVPYOBOFNYFLX-ZDUSSCGKSA-N 1 2 230.315 1.789 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001326324577 989492606 /nfs/dbraw/zinc/49/26/06/989492606.db2.gz DIBSDJFONDAFEV-VIFPVBQESA-N 1 2 235.287 1.040 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001326324577 989492613 /nfs/dbraw/zinc/49/26/13/989492613.db2.gz DIBSDJFONDAFEV-VIFPVBQESA-N 1 2 235.287 1.040 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC[C@H]2CC2CC2)CC1 ZINC001119935421 989495013 /nfs/dbraw/zinc/49/50/13/989495013.db2.gz CYCIRVQIQUIYQB-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@H]2CC2CC2)CC1 ZINC001119935421 989495027 /nfs/dbraw/zinc/49/50/27/989495027.db2.gz CYCIRVQIQUIYQB-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO C#C[C@H](CCC)NC(=O)CCc1[nH+]ccn1C ZINC001520062178 989501997 /nfs/dbraw/zinc/50/19/97/989501997.db2.gz LXWUYUDWUOOSIX-LLVKDONJSA-N 1 2 233.315 1.271 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ccncc1F ZINC001326787057 989706536 /nfs/dbraw/zinc/70/65/36/989706536.db2.gz OKNYXSNAWAKVOK-UHFFFAOYSA-N 1 2 222.263 1.302 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ccncc1F ZINC001326787057 989706548 /nfs/dbraw/zinc/70/65/48/989706548.db2.gz OKNYXSNAWAKVOK-UHFFFAOYSA-N 1 2 222.263 1.302 20 30 BDEDLO C=C(CC)C(=O)NCCc1c[nH+]cn1C ZINC001528095369 990268701 /nfs/dbraw/zinc/26/87/01/990268701.db2.gz UUFHUELLWRRZJN-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO C=C(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001123692716 990648050 /nfs/dbraw/zinc/64/80/50/990648050.db2.gz UZMOGDHZGLBNRM-SNVBAGLBSA-N 1 2 219.288 1.280 20 30 BDEDLO C#CCN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001543655676 990698932 /nfs/dbraw/zinc/69/89/32/990698932.db2.gz HQOPNCVXWWVICK-UHFFFAOYSA-N 1 2 227.267 1.658 20 30 BDEDLO CCN(C(=O)CCc1[nH+]ccn1C)[C@H](C)C#N ZINC001123932971 990709306 /nfs/dbraw/zinc/70/93/06/990709306.db2.gz SDLQBWDXTCHKLH-SNVBAGLBSA-N 1 2 234.303 1.113 20 30 BDEDLO O=C(C#CC1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001149101679 990768287 /nfs/dbraw/zinc/76/82/87/990768287.db2.gz ACLPABRWESABIJ-UHFFFAOYSA-N 1 2 243.310 1.529 20 30 BDEDLO O=C(C#CC1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001149101679 990768292 /nfs/dbraw/zinc/76/82/92/990768292.db2.gz ACLPABRWESABIJ-UHFFFAOYSA-N 1 2 243.310 1.529 20 30 BDEDLO C#CCN1CC[NH+](Cc2cccc(C)c2F)CC1 ZINC001137678284 990840680 /nfs/dbraw/zinc/84/06/80/990840680.db2.gz GAYYKJYQVOUDLH-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(C)c2F)CC1 ZINC001137678284 990840683 /nfs/dbraw/zinc/84/06/83/990840683.db2.gz GAYYKJYQVOUDLH-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO CC(=O)Oc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001138043810 990878779 /nfs/dbraw/zinc/87/87/79/990878779.db2.gz HGFBVUSGYYXSID-ZDUSSCGKSA-N 1 2 244.294 1.957 20 30 BDEDLO CC(=O)Oc1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001138043810 990878782 /nfs/dbraw/zinc/87/87/82/990878782.db2.gz HGFBVUSGYYXSID-ZDUSSCGKSA-N 1 2 244.294 1.957 20 30 BDEDLO C=C[C@@H](C)ONC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001557325298 990884114 /nfs/dbraw/zinc/88/41/14/990884114.db2.gz ABXZRNRIOVOWEL-NXEZZACHSA-N 1 2 230.283 1.043 20 30 BDEDLO C=C[C@@H](C)ONC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001557325298 990884116 /nfs/dbraw/zinc/88/41/16/990884116.db2.gz ABXZRNRIOVOWEL-NXEZZACHSA-N 1 2 230.283 1.043 20 30 BDEDLO C=C(C)CONC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001557330011 990886217 /nfs/dbraw/zinc/88/62/17/990886217.db2.gz SYYLDWZIPDGECY-JTQLQIEISA-N 1 2 230.283 1.044 20 30 BDEDLO C=C(C)CONC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001557330011 990886220 /nfs/dbraw/zinc/88/62/20/990886220.db2.gz SYYLDWZIPDGECY-JTQLQIEISA-N 1 2 230.283 1.044 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(SC)nc1 ZINC001138705799 991012967 /nfs/dbraw/zinc/01/29/67/991012967.db2.gz DNRHGVZOXCPUSB-UHFFFAOYSA-N 1 2 207.302 1.264 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(SC)nc1 ZINC001138705799 991012973 /nfs/dbraw/zinc/01/29/73/991012973.db2.gz DNRHGVZOXCPUSB-UHFFFAOYSA-N 1 2 207.302 1.264 20 30 BDEDLO Cn1c[nH+]cc1CNc1ncc(C#N)cc1F ZINC001559261950 991060984 /nfs/dbraw/zinc/06/09/84/991060984.db2.gz UJOJEMZIVTYBCH-UHFFFAOYSA-N 1 2 231.234 1.438 20 30 BDEDLO C=CC[N@@H+](C)Cc1c[nH]nc1C(=O)OCC ZINC001138855867 991086592 /nfs/dbraw/zinc/08/65/92/991086592.db2.gz SDAAPLJOSUYZHY-UHFFFAOYSA-N 1 2 223.276 1.204 20 30 BDEDLO C=CC[N@H+](C)Cc1c[nH]nc1C(=O)OCC ZINC001138855867 991086601 /nfs/dbraw/zinc/08/66/01/991086601.db2.gz SDAAPLJOSUYZHY-UHFFFAOYSA-N 1 2 223.276 1.204 20 30 BDEDLO Cc1c[nH]c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001138939326 991108433 /nfs/dbraw/zinc/10/84/33/991108433.db2.gz LXMLHWPNMRYEQV-CNDDSTCGSA-N 1 2 230.315 1.985 20 30 BDEDLO Cc1c[nH]c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001138939326 991108437 /nfs/dbraw/zinc/10/84/37/991108437.db2.gz LXMLHWPNMRYEQV-CNDDSTCGSA-N 1 2 230.315 1.985 20 30 BDEDLO COc1cc(O)ccc1C[NH+]1CC(CC#N)C1 ZINC001139137450 991151923 /nfs/dbraw/zinc/15/19/23/991151923.db2.gz AIBMTQNBQHCMTN-UHFFFAOYSA-N 1 2 232.283 1.746 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)/C(C)=C/C)CC1 ZINC001258285403 991218846 /nfs/dbraw/zinc/21/88/46/991218846.db2.gz SHVIMGVMQUJLKA-LFYBBSHMSA-N 1 2 220.316 1.120 20 30 BDEDLO N#CCC1C[NH+](Cc2cnc3cccnc3c2)C1 ZINC001139739923 991351044 /nfs/dbraw/zinc/35/10/44/991351044.db2.gz HAMPBQMXZKBVMZ-UHFFFAOYSA-N 1 2 238.294 1.975 20 30 BDEDLO C=CCn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC001139768602 991359755 /nfs/dbraw/zinc/35/97/55/991359755.db2.gz QLGDNLLVWJTRNA-LLVKDONJSA-N 1 2 209.268 1.613 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC001139768602 991359763 /nfs/dbraw/zinc/35/97/63/991359763.db2.gz QLGDNLLVWJTRNA-LLVKDONJSA-N 1 2 209.268 1.613 20 30 BDEDLO CC(=O)C[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139873546 991406914 /nfs/dbraw/zinc/40/69/14/991406914.db2.gz VKZMUXUFRNTPMU-UHFFFAOYSA-N 1 2 220.247 1.718 20 30 BDEDLO CC(=O)C[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139873546 991406922 /nfs/dbraw/zinc/40/69/22/991406922.db2.gz VKZMUXUFRNTPMU-UHFFFAOYSA-N 1 2 220.247 1.718 20 30 BDEDLO Cn1cnc2cc(C[N@@H+]3CC[C@@H](C#N)C3)ccc21 ZINC001140508857 991658537 /nfs/dbraw/zinc/65/85/37/991658537.db2.gz YOZCQMADIKSJSN-LBPRGKRZSA-N 1 2 240.310 1.919 20 30 BDEDLO Cn1cnc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc21 ZINC001140508857 991658547 /nfs/dbraw/zinc/65/85/47/991658547.db2.gz YOZCQMADIKSJSN-LBPRGKRZSA-N 1 2 240.310 1.919 20 30 BDEDLO C=CCC[C@H](C)[N@@H+]1CCOC[C@@H]1CN(C)C ZINC001258732507 991677454 /nfs/dbraw/zinc/67/74/54/991677454.db2.gz MMUMYNLWYYAYEU-STQMWFEESA-N 1 2 226.364 1.604 20 30 BDEDLO C=CCC[C@H](C)[N@H+]1CCOC[C@@H]1CN(C)C ZINC001258732507 991677459 /nfs/dbraw/zinc/67/74/59/991677459.db2.gz MMUMYNLWYYAYEU-STQMWFEESA-N 1 2 226.364 1.604 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258807530 991811683 /nfs/dbraw/zinc/81/16/83/991811683.db2.gz QOSRTAOTXNTSMB-UTLUCORTSA-N 1 2 231.361 1.626 20 30 BDEDLO C#CC[N@@H+](Cc1ncc(Cl)n1C)CC1CC1 ZINC001319446038 991869898 /nfs/dbraw/zinc/86/98/98/991869898.db2.gz GSUWEUYAYMZRJU-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C#CC[N@H+](Cc1ncc(Cl)n1C)CC1CC1 ZINC001319446038 991869904 /nfs/dbraw/zinc/86/99/04/991869904.db2.gz GSUWEUYAYMZRJU-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccoc1 ZINC001567271206 991988303 /nfs/dbraw/zinc/98/83/03/991988303.db2.gz RFNYUWWPQAFLMB-UHFFFAOYSA-N 1 2 242.706 1.694 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccoc1 ZINC001567271206 991988311 /nfs/dbraw/zinc/98/83/11/991988311.db2.gz RFNYUWWPQAFLMB-UHFFFAOYSA-N 1 2 242.706 1.694 20 30 BDEDLO C#CCCCCC(=O)NC1C[NH+](CC=C)C1 ZINC001567790355 992095698 /nfs/dbraw/zinc/09/56/98/992095698.db2.gz MNXYRVGKLVTGFQ-UHFFFAOYSA-N 1 2 220.316 1.166 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001567821160 992102622 /nfs/dbraw/zinc/10/26/22/992102622.db2.gz HGXQVOPEFBSQBP-NSHDSACASA-N 1 2 245.326 1.364 20 30 BDEDLO C=C[C@H](COC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC001320591421 992266039 /nfs/dbraw/zinc/26/60/39/992266039.db2.gz FZKRMORVFUVMOA-LLVKDONJSA-N 1 2 249.314 1.443 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320706799 992317725 /nfs/dbraw/zinc/31/77/25/992317725.db2.gz GKNCZWMEGOCEHE-WDEREUQCSA-N 1 2 219.288 1.362 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001569353908 992370156 /nfs/dbraw/zinc/37/01/56/992370156.db2.gz NABBKRBMLCQVSG-WDEREUQCSA-N 1 2 242.388 1.505 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001569353908 992370165 /nfs/dbraw/zinc/37/01/65/992370165.db2.gz NABBKRBMLCQVSG-WDEREUQCSA-N 1 2 242.388 1.505 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001261747260 992486601 /nfs/dbraw/zinc/48/66/01/992486601.db2.gz HCMAQPVZJMEBFF-CHWSQXEVSA-N 1 2 245.326 1.706 20 30 BDEDLO C=C(C)CCC(=O)N1CCn2c[nH+]cc2C1 ZINC001262625697 992976509 /nfs/dbraw/zinc/97/65/09/992976509.db2.gz RQRBLSAKBOTVBG-UHFFFAOYSA-N 1 2 219.288 1.582 20 30 BDEDLO C#CCCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001263753018 993490749 /nfs/dbraw/zinc/49/07/49/993490749.db2.gz ZNAIWDDLLUNQDC-UHFFFAOYSA-N 1 2 246.314 1.336 20 30 BDEDLO C=C(CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001263765545 993494751 /nfs/dbraw/zinc/49/47/51/993494751.db2.gz UKDIJXATMUSBOB-UHFFFAOYSA-N 1 2 207.277 1.609 20 30 BDEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](CF)C2)c1=O ZINC001333808145 994524890 /nfs/dbraw/zinc/52/48/90/994524890.db2.gz SNNKZFJWQVHHCW-NSHDSACASA-N 1 2 249.289 1.359 20 30 BDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](CF)C2)c1=O ZINC001333808145 994524897 /nfs/dbraw/zinc/52/48/97/994524897.db2.gz SNNKZFJWQVHHCW-NSHDSACASA-N 1 2 249.289 1.359 20 30 BDEDLO C#C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001299869492 994982544 /nfs/dbraw/zinc/98/25/44/994982544.db2.gz LJQPUVUZRFPLTG-LBPRGKRZSA-N 1 2 239.278 1.443 20 30 BDEDLO C[C@@H](CC(=O)N[C@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC000564336354 398135571 /nfs/dbraw/zinc/13/55/71/398135571.db2.gz YCYXZVWRLLXNQI-GWCFXTLKSA-N 1 2 246.314 1.643 20 30 BDEDLO CCc1c[nH]c(CC(=O)NCCCCC#N)[nH+]1 ZINC000602094349 349447414 /nfs/dbraw/zinc/44/74/14/349447414.db2.gz SHXSFAQHBQWGAN-UHFFFAOYSA-N 1 2 234.303 1.325 20 30 BDEDLO N#CCCN1CC[NH+](Cc2cccnc2)CC1 ZINC000085010474 136211657 /nfs/dbraw/zinc/21/16/57/136211657.db2.gz QEQUWRPBHQHFQZ-UHFFFAOYSA-N 1 2 230.315 1.113 20 30 BDEDLO C=CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000519517078 398175285 /nfs/dbraw/zinc/17/52/85/398175285.db2.gz HTKAKFIDVNJHTR-UHFFFAOYSA-N 1 2 215.278 1.118 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(C)c2)nn1 ZINC000424291629 398180673 /nfs/dbraw/zinc/18/06/73/398180673.db2.gz DWZGYKAMEYTBMG-JTQLQIEISA-N 1 2 246.318 1.048 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000576231047 365530696 /nfs/dbraw/zinc/53/06/96/365530696.db2.gz XMCTUAMMUAPWMH-OPDFLTKYSA-N 1 2 249.358 1.383 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OC)o1 ZINC000076185393 398226602 /nfs/dbraw/zinc/22/66/02/398226602.db2.gz YOXCJDPNIFDOTD-UHFFFAOYSA-N 1 2 231.251 1.135 20 30 BDEDLO C=C[C@@H](CO)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421357364 192333016 /nfs/dbraw/zinc/33/30/16/192333016.db2.gz NSRVXLYIHUKBFW-QMMMGPOBSA-N 1 2 229.711 1.018 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000293017856 136229312 /nfs/dbraw/zinc/22/93/12/136229312.db2.gz FFGXIDZWEUXNPS-UHFFFAOYSA-N 1 2 248.370 1.948 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000293017856 136229313 /nfs/dbraw/zinc/22/93/13/136229313.db2.gz FFGXIDZWEUXNPS-UHFFFAOYSA-N 1 2 248.370 1.948 20 30 BDEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCO[C@H](C#N)C1 ZINC000602462389 349556190 /nfs/dbraw/zinc/55/61/90/349556190.db2.gz BFHLJMUQLGLYFP-NEPJUHHUSA-N 1 2 246.314 1.096 20 30 BDEDLO Cc1[nH]c(CN(C)[C@H](C)CC#N)[nH+]c1C ZINC000600117674 342673965 /nfs/dbraw/zinc/67/39/65/342673965.db2.gz MPPNXYAOFAJVKC-MRVPVSSYSA-N 1 2 206.293 1.761 20 30 BDEDLO Cc1[nH]c(CN2CC[C@](C)(C#N)C2)[nH+]c1C ZINC000600175312 342696092 /nfs/dbraw/zinc/69/60/92/342696092.db2.gz VCTYPGWZELWBGC-GFCCVEGCSA-N 1 2 218.304 1.762 20 30 BDEDLO Cc1cc(NCC(C)(C)CCCO)c(C#N)c[nH+]1 ZINC000399081397 398282836 /nfs/dbraw/zinc/28/28/36/398282836.db2.gz RYTPRYPFQPDJIJ-UHFFFAOYSA-N 1 2 247.342 1.894 20 30 BDEDLO C=C(C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000187736687 342845369 /nfs/dbraw/zinc/84/53/69/342845369.db2.gz NDKHDROEDNPXEQ-UHFFFAOYSA-N 1 2 215.256 1.640 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1cccc(C#N)n1 ZINC000081619512 398311146 /nfs/dbraw/zinc/31/11/46/398311146.db2.gz LDEMTBJUYURNDJ-UHFFFAOYSA-N 1 2 227.271 1.323 20 30 BDEDLO Cc1nccc(C[N@H+](CCC#N)CC2CC2)n1 ZINC000351396729 136245509 /nfs/dbraw/zinc/24/55/09/136245509.db2.gz LXPKSETTXJTMQN-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1nccc(C[N@@H+](CCC#N)CC2CC2)n1 ZINC000351396729 136245510 /nfs/dbraw/zinc/24/55/10/136245510.db2.gz LXPKSETTXJTMQN-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000042327796 398323668 /nfs/dbraw/zinc/32/36/68/398323668.db2.gz DEKBDJCBYLNZPP-LLVKDONJSA-N 1 2 248.301 1.395 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000042327796 398323669 /nfs/dbraw/zinc/32/36/69/398323669.db2.gz DEKBDJCBYLNZPP-LLVKDONJSA-N 1 2 248.301 1.395 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000602614430 349637429 /nfs/dbraw/zinc/63/74/29/349637429.db2.gz YQVDMZLGBHGJFW-JTQLQIEISA-N 1 2 247.298 1.635 20 30 BDEDLO C[C@H](CCC#N)C[N@H+](CCO)CC(F)F ZINC000602639172 349653276 /nfs/dbraw/zinc/65/32/76/349653276.db2.gz VMYWZDRYFVBHCS-SECBINFHSA-N 1 2 220.263 1.486 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+](CCO)CC(F)F ZINC000602639172 349653279 /nfs/dbraw/zinc/65/32/79/349653279.db2.gz VMYWZDRYFVBHCS-SECBINFHSA-N 1 2 220.263 1.486 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000602643235 349655420 /nfs/dbraw/zinc/65/54/20/349655420.db2.gz OUTRXSFCZSOSKM-UHFFFAOYSA-N 1 2 245.282 1.246 20 30 BDEDLO C[C@@H](CNC(=O)CC1(C#N)CC1)Cn1cc[nH+]c1 ZINC000590267169 346904424 /nfs/dbraw/zinc/90/44/24/346904424.db2.gz FARKTZFNQRXYCB-NSHDSACASA-N 1 2 246.314 1.329 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C#N)C1CC1 ZINC000492537397 529560133 /nfs/dbraw/zinc/56/01/33/529560133.db2.gz QOWUCHWNXLVFSW-GZTOBOFZSA-N 1 2 244.298 1.335 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000602734422 349719793 /nfs/dbraw/zinc/71/97/93/349719793.db2.gz ODNDGJLYAHTGGA-GHMZBOCLSA-N 1 2 241.331 1.651 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000602735154 349719848 /nfs/dbraw/zinc/71/98/48/349719848.db2.gz SWZAKHAQOMMLFN-VHSXEESVSA-N 1 2 229.345 1.589 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602769409 349724053 /nfs/dbraw/zinc/72/40/53/349724053.db2.gz DLDUEIOWIWZESZ-YPMHNXCESA-N 1 2 249.358 1.621 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602769409 349724057 /nfs/dbraw/zinc/72/40/57/349724057.db2.gz DLDUEIOWIWZESZ-YPMHNXCESA-N 1 2 249.358 1.621 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1Cc2cnn(C)c2C1 ZINC000602720028 349712591 /nfs/dbraw/zinc/71/25/91/349712591.db2.gz WXYIXAZDAPZOAV-SNVBAGLBSA-N 1 2 218.304 1.676 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1Cc2cnn(C)c2C1 ZINC000602720028 349712592 /nfs/dbraw/zinc/71/25/92/349712592.db2.gz WXYIXAZDAPZOAV-SNVBAGLBSA-N 1 2 218.304 1.676 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000602733612 349718894 /nfs/dbraw/zinc/71/88/94/349718894.db2.gz JURPWHZWAIDOBV-GFCCVEGCSA-N 1 2 239.315 1.431 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602812853 349755722 /nfs/dbraw/zinc/75/57/22/349755722.db2.gz RJFNZVOBQYHCKR-MRVPVSSYSA-N 1 2 224.260 1.640 20 30 BDEDLO C=CC[N@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602812853 349755724 /nfs/dbraw/zinc/75/57/24/349755724.db2.gz RJFNZVOBQYHCKR-MRVPVSSYSA-N 1 2 224.260 1.640 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCC(C)CC1 ZINC000602861024 349772559 /nfs/dbraw/zinc/77/25/59/349772559.db2.gz FDFZDFUNJBIKFD-NWDGAFQWSA-N 1 2 237.347 1.525 20 30 BDEDLO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)C(C)C ZINC000602863248 349780257 /nfs/dbraw/zinc/78/02/57/349780257.db2.gz MCTYNUHZFIONAM-NEPJUHHUSA-N 1 2 239.363 1.912 20 30 BDEDLO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)C(C)C ZINC000602863252 349780433 /nfs/dbraw/zinc/78/04/33/349780433.db2.gz MCTYNUHZFIONAM-RYUDHWBXSA-N 1 2 239.363 1.912 20 30 BDEDLO C[C@@H]1C[NH+](Cc2ccon2)C[C@@H](C)N1CC#N ZINC000602850592 349785385 /nfs/dbraw/zinc/78/53/85/349785385.db2.gz QWBXZOXKVBBQLV-GHMZBOCLSA-N 1 2 234.303 1.093 20 30 BDEDLO C[C@@H](C#N)[N@H+](C[C@H]1CCO[C@H]1C)C1CC1 ZINC000602886387 349793822 /nfs/dbraw/zinc/79/38/22/349793822.db2.gz QWTQLNQDKXIUSJ-GARJFASQSA-N 1 2 208.305 1.788 20 30 BDEDLO C[C@@H](C#N)[N@@H+](C[C@H]1CCO[C@H]1C)C1CC1 ZINC000602886387 349793824 /nfs/dbraw/zinc/79/38/24/349793824.db2.gz QWTQLNQDKXIUSJ-GARJFASQSA-N 1 2 208.305 1.788 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602865391 349796811 /nfs/dbraw/zinc/79/68/11/349796811.db2.gz XTOCFRGOYNDSPY-NWDGAFQWSA-N 1 2 237.347 1.691 20 30 BDEDLO C=CCCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640938936 362076307 /nfs/dbraw/zinc/07/63/07/362076307.db2.gz GLXRYLXXVFYUAR-GFCCVEGCSA-N 1 2 236.319 1.295 20 30 BDEDLO CC#CCN1CC[NH+](Cc2ccco2)CC1 ZINC000266059483 187235099 /nfs/dbraw/zinc/23/50/99/187235099.db2.gz YLPFHUQCPYOIJC-UHFFFAOYSA-N 1 2 218.300 1.421 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2ccco2)CC1 ZINC000266059483 187235101 /nfs/dbraw/zinc/23/51/01/187235101.db2.gz YLPFHUQCPYOIJC-UHFFFAOYSA-N 1 2 218.300 1.421 20 30 BDEDLO CCCCCNC(=O)C[NH2+][C@H](C)CC#N ZINC000602866247 349797760 /nfs/dbraw/zinc/79/77/60/349797760.db2.gz ZPLLOFFOJLIBJY-SNVBAGLBSA-N 1 2 211.309 1.185 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000602868262 349799096 /nfs/dbraw/zinc/79/90/96/349799096.db2.gz IQGUQHOARPSPIU-SECBINFHSA-N 1 2 235.331 1.183 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015770 343132052 /nfs/dbraw/zinc/13/20/52/343132052.db2.gz WKZAXOAMBJIGHX-SECBINFHSA-N 1 2 219.244 1.844 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015771 343132291 /nfs/dbraw/zinc/13/22/91/343132291.db2.gz WKZAXOAMBJIGHX-VIFPVBQESA-N 1 2 219.244 1.844 20 30 BDEDLO C=CCC(CC=C)C(=O)NCc1[nH+]ccn1C ZINC000268192739 187235589 /nfs/dbraw/zinc/23/55/89/187235589.db2.gz MYQHDXYTTIHNLG-UHFFFAOYSA-N 1 2 233.315 1.805 20 30 BDEDLO C=C1CC[NH+](Cc2ncnn2CCC)CC1 ZINC000279508831 187241458 /nfs/dbraw/zinc/24/14/58/187241458.db2.gz PYUUSMDTQVMFKP-UHFFFAOYSA-N 1 2 220.320 1.840 20 30 BDEDLO C=C(CC)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000576946768 365729532 /nfs/dbraw/zinc/72/95/32/365729532.db2.gz BCYOACCIKKGENE-LLVKDONJSA-N 1 2 221.304 1.917 20 30 BDEDLO N#CCCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000161179937 136273841 /nfs/dbraw/zinc/27/38/41/136273841.db2.gz UVPHVSDORIEGPQ-UHFFFAOYSA-N 1 2 244.342 1.503 20 30 BDEDLO CC#CC[N@@H+](C)Cc1nccc(OC)c1OC ZINC000339755009 136280866 /nfs/dbraw/zinc/28/08/66/136280866.db2.gz CJSGGRPGLBEFKY-UHFFFAOYSA-N 1 2 234.299 1.554 20 30 BDEDLO CC#CC[N@H+](C)Cc1nccc(OC)c1OC ZINC000339755009 136280867 /nfs/dbraw/zinc/28/08/67/136280867.db2.gz CJSGGRPGLBEFKY-UHFFFAOYSA-N 1 2 234.299 1.554 20 30 BDEDLO CC#CCN(C)Cc1[nH+]ccc(OC)c1OC ZINC000339755009 136280868 /nfs/dbraw/zinc/28/08/68/136280868.db2.gz CJSGGRPGLBEFKY-UHFFFAOYSA-N 1 2 234.299 1.554 20 30 BDEDLO Cc1ccnc(N(C)Cc2[nH]cc[nH+]2)c1C#N ZINC000343507970 343251955 /nfs/dbraw/zinc/25/19/55/343251955.db2.gz HYYVCZLYDCNRRD-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](CCC)C(=O)OCC ZINC000293100348 136289342 /nfs/dbraw/zinc/28/93/42/136289342.db2.gz KYMYFVTWIUAMKF-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO CC#CC[N@H+](C)[C@H](CCC)C(=O)OCC ZINC000293100348 136289343 /nfs/dbraw/zinc/28/93/43/136289343.db2.gz KYMYFVTWIUAMKF-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000609030966 343261234 /nfs/dbraw/zinc/26/12/34/343261234.db2.gz YOSCPQOJCZORNC-WCQYABFASA-N 1 2 245.326 1.708 20 30 BDEDLO CN(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000609166689 343323177 /nfs/dbraw/zinc/32/31/77/343323177.db2.gz JGYABRUVAZMUFO-UHFFFAOYSA-N 1 2 220.276 1.035 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000299219991 343398612 /nfs/dbraw/zinc/39/86/12/343398612.db2.gz IIECGULWWARODX-ZDUSSCGKSA-N 1 2 246.354 1.392 20 30 BDEDLO CO[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329356912 136365220 /nfs/dbraw/zinc/36/52/20/136365220.db2.gz WJMTXGHJKWWCQP-GXSJLCMTSA-N 1 2 237.303 1.866 20 30 BDEDLO CO[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329356912 136365221 /nfs/dbraw/zinc/36/52/21/136365221.db2.gz WJMTXGHJKWWCQP-GXSJLCMTSA-N 1 2 237.303 1.866 20 30 BDEDLO C[C@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329438076 136365955 /nfs/dbraw/zinc/36/59/55/136365955.db2.gz MHBLBWQIBMQIGR-ZANVPECISA-N 1 2 249.314 1.650 20 30 BDEDLO C[C@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329438076 136365956 /nfs/dbraw/zinc/36/59/56/136365956.db2.gz MHBLBWQIBMQIGR-ZANVPECISA-N 1 2 249.314 1.650 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CCF)CC1 ZINC000602946481 349818591 /nfs/dbraw/zinc/81/85/91/349818591.db2.gz AFVVSRISSRHTAV-NSHDSACASA-N 1 2 229.295 1.786 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000192610676 365781237 /nfs/dbraw/zinc/78/12/37/365781237.db2.gz SULUBFTZAMATDX-UHFFFAOYSA-N 1 2 245.326 1.416 20 30 BDEDLO COc1cncc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000602981955 349832685 /nfs/dbraw/zinc/83/26/85/349832685.db2.gz LSYDVVSEXWODGS-JQWIXIFHSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1cncc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000602981955 349832686 /nfs/dbraw/zinc/83/26/86/349832686.db2.gz LSYDVVSEXWODGS-JQWIXIFHSA-N 1 2 246.314 1.609 20 30 BDEDLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602977020 349842381 /nfs/dbraw/zinc/84/23/81/349842381.db2.gz WRMFSWASIWHJRQ-GHMZBOCLSA-N 1 2 237.347 1.525 20 30 BDEDLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602977020 349842384 /nfs/dbraw/zinc/84/23/84/349842384.db2.gz WRMFSWASIWHJRQ-GHMZBOCLSA-N 1 2 237.347 1.525 20 30 BDEDLO CCC[N@H+](CCOCCC#N)CC(F)F ZINC000338950047 343692481 /nfs/dbraw/zinc/69/24/81/343692481.db2.gz DZOXAEKZFHFGGS-UHFFFAOYSA-N 1 2 220.263 1.894 20 30 BDEDLO CCC[N@@H+](CCOCCC#N)CC(F)F ZINC000338950047 343692482 /nfs/dbraw/zinc/69/24/82/343692482.db2.gz DZOXAEKZFHFGGS-UHFFFAOYSA-N 1 2 220.263 1.894 20 30 BDEDLO COc1nccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602982562 349835408 /nfs/dbraw/zinc/83/54/08/349835408.db2.gz UVCCDBNLVBNDOE-ZYHUDNBSSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1nccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602982562 349835409 /nfs/dbraw/zinc/83/54/09/349835409.db2.gz UVCCDBNLVBNDOE-ZYHUDNBSSA-N 1 2 246.314 1.609 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000154324343 343714093 /nfs/dbraw/zinc/71/40/93/343714093.db2.gz DEEHFPNIDVQTGD-SNVBAGLBSA-N 1 2 219.288 1.138 20 30 BDEDLO CC#CC[N@H+]1CCN(CCC)C(=O)C1(C)C ZINC000187868495 259369992 /nfs/dbraw/zinc/36/99/92/259369992.db2.gz PFVFUOHFAJSGBD-UHFFFAOYSA-N 1 2 222.332 1.343 20 30 BDEDLO CC#CC[N@@H+]1CCN(CCC)C(=O)C1(C)C ZINC000187868495 259369993 /nfs/dbraw/zinc/36/99/93/259369993.db2.gz PFVFUOHFAJSGBD-UHFFFAOYSA-N 1 2 222.332 1.343 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493426150 529841383 /nfs/dbraw/zinc/84/13/83/529841383.db2.gz GBZMPXJVTNOUNE-SNAWJCMRSA-N 1 2 232.287 1.431 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)CC1(C#N)CC1)CC2 ZINC000590324915 346987961 /nfs/dbraw/zinc/98/79/61/346987961.db2.gz MUMOQWBJOLZSCI-UHFFFAOYSA-N 1 2 244.298 1.228 20 30 BDEDLO Cc1ccc(Cn2cc(CCC#N)nn2)c(C)[nH+]1 ZINC000603233989 349892578 /nfs/dbraw/zinc/89/25/78/349892578.db2.gz MYFIEEGUEORLNS-UHFFFAOYSA-N 1 2 241.298 1.794 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1nnnn1CCCC ZINC000588783192 344188577 /nfs/dbraw/zinc/18/85/77/344188577.db2.gz JODCJGCRSZYSBN-UHFFFAOYSA-N 1 2 237.351 1.871 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nnnn1CCCC ZINC000588783192 344188579 /nfs/dbraw/zinc/18/85/79/344188579.db2.gz JODCJGCRSZYSBN-UHFFFAOYSA-N 1 2 237.351 1.871 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@@H]1CCCOC1)C(=O)OC ZINC000600601550 344338359 /nfs/dbraw/zinc/33/83/59/344338359.db2.gz GAOAQWVBPHWKTR-WDEREUQCSA-N 1 2 227.304 1.120 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)OC ZINC000381593408 344525159 /nfs/dbraw/zinc/52/51/59/344525159.db2.gz KOGDNQULJNNXDC-QQFIATSDSA-N 1 2 223.316 1.882 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1ccccc1 ZINC000047979690 344581128 /nfs/dbraw/zinc/58/11/28/344581128.db2.gz MEWXHJNVVBGDLV-UHFFFAOYSA-N 1 2 204.273 1.911 20 30 BDEDLO C[N@H+](CCC#N)CCOc1ccccc1 ZINC000047979690 344581131 /nfs/dbraw/zinc/58/11/31/344581131.db2.gz MEWXHJNVVBGDLV-UHFFFAOYSA-N 1 2 204.273 1.911 20 30 BDEDLO C=C(C)COCCNc1cc(CO)cc[nH+]1 ZINC000641438945 362418655 /nfs/dbraw/zinc/41/86/55/362418655.db2.gz AGRVPSNCKYKZEG-UHFFFAOYSA-N 1 2 222.288 1.579 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152815323 344696392 /nfs/dbraw/zinc/69/63/92/344696392.db2.gz CVDVKTIXGIIVAI-LBPRGKRZSA-N 1 2 247.342 1.870 20 30 BDEDLO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](C)C#N ZINC000050539862 344840625 /nfs/dbraw/zinc/84/06/25/344840625.db2.gz FQDWHSRAYQREAD-JTQLQIEISA-N 1 2 206.293 1.402 20 30 BDEDLO CC[N@H+](Cc1cnn(C)c1)C[C@@H](C)C#N ZINC000050539862 344840626 /nfs/dbraw/zinc/84/06/26/344840626.db2.gz FQDWHSRAYQREAD-JTQLQIEISA-N 1 2 206.293 1.402 20 30 BDEDLO Cc1cc(NC(=O)N2CCO[C@H](C#N)C2)cc[nH+]1 ZINC000119633876 344856574 /nfs/dbraw/zinc/85/65/74/344856574.db2.gz JFHRZWRYVVSWKR-LLVKDONJSA-N 1 2 246.270 1.146 20 30 BDEDLO Cc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000078320865 344844858 /nfs/dbraw/zinc/84/48/58/344844858.db2.gz SFOWPJBOACKUCC-CYBMUJFWSA-N 1 2 248.326 1.580 20 30 BDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000078320865 344844860 /nfs/dbraw/zinc/84/48/60/344844860.db2.gz SFOWPJBOACKUCC-CYBMUJFWSA-N 1 2 248.326 1.580 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000158917144 187298509 /nfs/dbraw/zinc/29/85/09/187298509.db2.gz FWBLEMUJJTVINW-UHFFFAOYSA-N 1 2 249.383 1.592 20 30 BDEDLO Cc1cc(N2CC[S@](=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425224978 192084704 /nfs/dbraw/zinc/08/47/04/192084704.db2.gz FGJRXTWDMWJOAN-QGHHPUGFSA-N 1 2 249.339 1.219 20 30 BDEDLO C=CC[C@H](CO)CNc1cc(C)[nH+]cc1C#N ZINC000425243749 192085349 /nfs/dbraw/zinc/08/53/49/192085349.db2.gz GBQZUUJVIFOSCR-NSHDSACASA-N 1 2 231.299 1.280 20 30 BDEDLO C=CC[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000363505759 345117922 /nfs/dbraw/zinc/11/79/22/345117922.db2.gz ABWPREKMVVGSEL-UHFFFAOYSA-N 1 2 246.339 1.818 20 30 BDEDLO C=CC[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000363505759 345117925 /nfs/dbraw/zinc/11/79/25/345117925.db2.gz ABWPREKMVVGSEL-UHFFFAOYSA-N 1 2 246.339 1.818 20 30 BDEDLO CCc1ncc(CNc2cc(C)[nH+]cc2C#N)o1 ZINC000425267635 192086742 /nfs/dbraw/zinc/08/67/42/192086742.db2.gz LYVMBNUCUDYPLF-UHFFFAOYSA-N 1 2 242.282 1.846 20 30 BDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC#N)[C@@H]2C1 ZINC000158466878 345335976 /nfs/dbraw/zinc/33/59/76/345335976.db2.gz RTOKSNBREQAJLX-UTUOFQBUSA-N 1 2 224.304 1.168 20 30 BDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCC#N)[C@@H]2C1 ZINC000158466878 345335977 /nfs/dbraw/zinc/33/59/77/345335977.db2.gz RTOKSNBREQAJLX-UTUOFQBUSA-N 1 2 224.304 1.168 20 30 BDEDLO CCN(CC#N)Cc1c[nH+]c2ccccn12 ZINC000158767577 345372744 /nfs/dbraw/zinc/37/27/44/345372744.db2.gz YFWWWVJMVHKPNC-UHFFFAOYSA-N 1 2 214.272 1.680 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H]1CCN(C(C)C)C1=O ZINC000081515102 345482613 /nfs/dbraw/zinc/48/26/13/345482613.db2.gz ZSTDWPZARTTZFP-LLVKDONJSA-N 1 2 223.320 1.231 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H]1CCN(C(C)C)C1=O ZINC000081515102 345482615 /nfs/dbraw/zinc/48/26/15/345482615.db2.gz ZSTDWPZARTTZFP-LLVKDONJSA-N 1 2 223.320 1.231 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000136210396 345487884 /nfs/dbraw/zinc/48/78/84/345487884.db2.gz PTUUFHYURJLCQW-JQWIXIFHSA-N 1 2 234.303 1.328 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363524280 345760322 /nfs/dbraw/zinc/76/03/22/345760322.db2.gz GJYVTVGMRUULRK-GFCCVEGCSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363524280 345760325 /nfs/dbraw/zinc/76/03/25/345760325.db2.gz GJYVTVGMRUULRK-GFCCVEGCSA-N 1 2 235.331 1.377 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635872292 346093595 /nfs/dbraw/zinc/09/35/95/346093595.db2.gz MUJOJPKCTGKKRR-NXEZZACHSA-N 1 2 219.288 1.596 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635872292 346093596 /nfs/dbraw/zinc/09/35/96/346093596.db2.gz MUJOJPKCTGKKRR-NXEZZACHSA-N 1 2 219.288 1.596 20 30 BDEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](F)C3)n2c1 ZINC000336223184 187366150 /nfs/dbraw/zinc/36/61/50/187366150.db2.gz IWXUKJXKTQMNTD-LLVKDONJSA-N 1 2 244.273 1.750 20 30 BDEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](F)C3)n2c1 ZINC000336223184 187366152 /nfs/dbraw/zinc/36/61/52/187366152.db2.gz IWXUKJXKTQMNTD-LLVKDONJSA-N 1 2 244.273 1.750 20 30 BDEDLO N#Cc1ccc2[nH+]cc(CN3CC[C@@H](F)C3)n2c1 ZINC000336223184 187366153 /nfs/dbraw/zinc/36/61/53/187366153.db2.gz IWXUKJXKTQMNTD-LLVKDONJSA-N 1 2 244.273 1.750 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)OC ZINC000301045306 346573514 /nfs/dbraw/zinc/57/35/14/346573514.db2.gz NKRROCZSKNOSHE-GXSJLCMTSA-N 1 2 227.304 1.119 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC1CC1 ZINC000580202433 346658933 /nfs/dbraw/zinc/65/89/33/346658933.db2.gz GJAJYSAJTDNAEB-GFCCVEGCSA-N 1 2 223.320 1.137 20 30 BDEDLO C=C[C@@H]([NH2+]CCCC(C)(C)COC)C(=O)OC ZINC000588312963 346660965 /nfs/dbraw/zinc/66/09/65/346660965.db2.gz MFHDCLCBIQQHJW-LLVKDONJSA-N 1 2 243.347 1.756 20 30 BDEDLO Cc1nc(NCCCn2cc[nH+]c2)ccc1C#N ZINC000204868849 346664946 /nfs/dbraw/zinc/66/49/46/346664946.db2.gz IQMAXXONZAGGNY-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO N#CCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000589699270 346728710 /nfs/dbraw/zinc/72/87/10/346728710.db2.gz USWCHWWNEXWOHI-GFCCVEGCSA-N 1 2 246.314 1.740 20 30 BDEDLO CCc1ccccc1CO[NH+]=C(N)CCO ZINC000187228789 347252442 /nfs/dbraw/zinc/25/24/42/347252442.db2.gz GHAGHPVXOPUKHA-UHFFFAOYSA-N 1 2 222.288 1.420 20 30 BDEDLO C=CCC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928743 347495333 /nfs/dbraw/zinc/49/53/33/347495333.db2.gz KURDNIXMISUTFH-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO C=CCC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928743 347495338 /nfs/dbraw/zinc/49/53/38/347495338.db2.gz KURDNIXMISUTFH-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO C=CCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000364589563 347463309 /nfs/dbraw/zinc/46/33/09/347463309.db2.gz FBTLFJZSGQXYEO-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO C=CCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000364589563 347463311 /nfs/dbraw/zinc/46/33/11/347463311.db2.gz FBTLFJZSGQXYEO-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO N#Cc1cnccc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567819 347469525 /nfs/dbraw/zinc/46/95/25/347469525.db2.gz SDXCXMQLFBOXRM-UHFFFAOYSA-N 1 2 225.255 1.239 20 30 BDEDLO C=CC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000111260153 347473146 /nfs/dbraw/zinc/47/31/46/347473146.db2.gz RWMATXBPOZWRQW-UHFFFAOYSA-N 1 2 233.319 1.406 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000590757676 347505858 /nfs/dbraw/zinc/50/58/58/347505858.db2.gz XYZILXUJWPABML-QWRGUYRKSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000590757676 347505861 /nfs/dbraw/zinc/50/58/61/347505861.db2.gz XYZILXUJWPABML-QWRGUYRKSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000590757675 347505971 /nfs/dbraw/zinc/50/59/71/347505971.db2.gz XYZILXUJWPABML-MNOVXSKESA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000590757675 347505973 /nfs/dbraw/zinc/50/59/73/347505973.db2.gz XYZILXUJWPABML-MNOVXSKESA-N 1 2 241.331 1.461 20 30 BDEDLO CC(C)(CC#N)CNc1[nH+]cnc2c1OCCN2 ZINC000591175577 347625198 /nfs/dbraw/zinc/62/51/98/347625198.db2.gz GAZUGBVXEPKMGD-UHFFFAOYSA-N 1 2 247.302 1.055 20 30 BDEDLO CC(C)(CC#N)CNc1nc[nH+]c2c1OCCN2 ZINC000591175577 347625201 /nfs/dbraw/zinc/62/52/01/347625201.db2.gz GAZUGBVXEPKMGD-UHFFFAOYSA-N 1 2 247.302 1.055 20 30 BDEDLO COCC1([N@H+](C)Cc2nc(C#N)cs2)CC1 ZINC000591375676 347650121 /nfs/dbraw/zinc/65/01/21/347650121.db2.gz QFVMRRXZQGFHIZ-UHFFFAOYSA-N 1 2 237.328 1.626 20 30 BDEDLO COCC1([N@@H+](C)Cc2nc(C#N)cs2)CC1 ZINC000591375676 347650124 /nfs/dbraw/zinc/65/01/24/347650124.db2.gz QFVMRRXZQGFHIZ-UHFFFAOYSA-N 1 2 237.328 1.626 20 30 BDEDLO C=C[C@H]([NH2+]CC1(COC)CCCC1)C(=O)OC ZINC000591376210 347650407 /nfs/dbraw/zinc/65/04/07/347650407.db2.gz YVAJSWBOPSGLLH-NSHDSACASA-N 1 2 241.331 1.510 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C(=O)OC ZINC000591607311 347682239 /nfs/dbraw/zinc/68/22/39/347682239.db2.gz DZLISUCHVNPRJU-SDDRHHMPSA-N 1 2 223.316 1.740 20 30 BDEDLO CC(C)n1c[nH+]cc1CN1CC[C@@](F)(C#N)C1 ZINC000591836214 347703214 /nfs/dbraw/zinc/70/32/14/347703214.db2.gz GWIIMTOOFNHWOP-GFCCVEGCSA-N 1 2 236.294 1.902 20 30 BDEDLO C[C@H](C#N)CN(C)c1nc(N)[nH+]c2c1CCCC2 ZINC000591896021 347713116 /nfs/dbraw/zinc/71/31/16/347713116.db2.gz FIVDRPHQSGKRGQ-SECBINFHSA-N 1 2 245.330 1.364 20 30 BDEDLO C[C@H](O)[C@@H]([NH2+]CCC#N)c1ccccc1F ZINC000592431190 347777891 /nfs/dbraw/zinc/77/78/91/347777891.db2.gz WOXWGXFVSBNNHW-JOYOIKCWSA-N 1 2 222.263 1.751 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCOC1 ZINC000592071096 347727395 /nfs/dbraw/zinc/72/73/95/347727395.db2.gz ZIZQONGKWZZFFG-GFCCVEGCSA-N 1 2 217.272 1.174 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCOC1 ZINC000592071096 347727399 /nfs/dbraw/zinc/72/73/99/347727399.db2.gz ZIZQONGKWZZFFG-GFCCVEGCSA-N 1 2 217.272 1.174 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)CCn1cc[nH+]c1 ZINC000390672311 259397562 /nfs/dbraw/zinc/39/75/62/259397562.db2.gz TWZBQDHTZJTCIG-NSHDSACASA-N 1 2 220.276 1.082 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H](C)CO)CC1 ZINC000593083431 347851589 /nfs/dbraw/zinc/85/15/89/347851589.db2.gz NEUXMVXYSHEOGI-ZYHUDNBSSA-N 1 2 241.331 1.054 20 30 BDEDLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154758 347866716 /nfs/dbraw/zinc/86/67/16/347866716.db2.gz BLXHHLOFOVPTTE-DMDPSCGWSA-N 1 2 237.347 1.239 20 30 BDEDLO Cc1[nH]c(C(=O)NCC2(C#N)CCCC2)c[nH+]1 ZINC000593780255 347941106 /nfs/dbraw/zinc/94/11/06/347941106.db2.gz YELNPDCACOBKCN-UHFFFAOYSA-N 1 2 232.287 1.532 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000593736650 347938784 /nfs/dbraw/zinc/93/87/84/347938784.db2.gz DFHZSBOJGFLYFA-BBBLOLIVSA-N 1 2 232.287 1.555 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000593737722 347939186 /nfs/dbraw/zinc/93/91/86/347939186.db2.gz RWFNFMSUTZIPJE-NXEZZACHSA-N 1 2 234.303 1.630 20 30 BDEDLO CC[C@@H](C#N)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000593539928 347909314 /nfs/dbraw/zinc/90/93/14/347909314.db2.gz XYIHPBNLHQTJBY-NSHDSACASA-N 1 2 234.303 1.281 20 30 BDEDLO CC1(C#N)C[NH+](CCC[C@@H]2CCOC2)C1 ZINC000593980417 347986515 /nfs/dbraw/zinc/98/65/15/347986515.db2.gz CUZFHGQVICSCMC-LLVKDONJSA-N 1 2 208.305 1.649 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000593986979 347979542 /nfs/dbraw/zinc/97/95/42/347979542.db2.gz BTSCPNYMDQWBNP-STQMWFEESA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000593986979 347979543 /nfs/dbraw/zinc/97/95/43/347979543.db2.gz BTSCPNYMDQWBNP-STQMWFEESA-N 1 2 246.310 1.599 20 30 BDEDLO Cc1cc(NC(=O)CCCCC#N)cc[nH+]1 ZINC000593999295 347982519 /nfs/dbraw/zinc/98/25/19/347982519.db2.gz HVGWYMDGZGTEGQ-UHFFFAOYSA-N 1 2 217.272 1.834 20 30 BDEDLO COc1c(C)[nH+]cnc1N1CCC(C)(C#N)CC1 ZINC000594576912 348075083 /nfs/dbraw/zinc/07/50/83/348075083.db2.gz GRMIJEHWAAOYJM-UHFFFAOYSA-N 1 2 246.314 1.924 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)NC3(C#N)CC3)ccn12 ZINC000594292672 348030852 /nfs/dbraw/zinc/03/08/52/348030852.db2.gz MXOPSGJZPATOQS-UHFFFAOYSA-N 1 2 240.266 1.429 20 30 BDEDLO CC1(C)C[NH+](CC(=O)NCC2(C#N)CCCC2)C1 ZINC000594376480 348039498 /nfs/dbraw/zinc/03/94/98/348039498.db2.gz NYRGHWTUFGWBEI-UHFFFAOYSA-N 1 2 249.358 1.528 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CC2(C#N)CC2)c(C)o1 ZINC000594616224 348084171 /nfs/dbraw/zinc/08/41/71/348084171.db2.gz ZEVAPITWCIEUMW-UHFFFAOYSA-N 1 2 248.282 1.768 20 30 BDEDLO CC(C)(C)n1nnc(C[NH2+]CC2(CC#N)CC2)n1 ZINC000594935524 348141396 /nfs/dbraw/zinc/14/13/96/348141396.db2.gz FVKCKSANJXECRU-UHFFFAOYSA-N 1 2 248.334 1.212 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595302952 348212354 /nfs/dbraw/zinc/21/23/54/348212354.db2.gz XYMPZASUWHJCQB-MROQNXINSA-N 1 2 249.358 1.525 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595302952 348212355 /nfs/dbraw/zinc/21/23/55/348212355.db2.gz XYMPZASUWHJCQB-MROQNXINSA-N 1 2 249.358 1.525 20 30 BDEDLO COC[C@@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000595464166 348257259 /nfs/dbraw/zinc/25/72/59/348257259.db2.gz DRMSUHPFDSDSOX-NEPJUHHUSA-N 1 2 240.347 1.662 20 30 BDEDLO COC[C@@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000595464166 348257261 /nfs/dbraw/zinc/25/72/61/348257261.db2.gz DRMSUHPFDSDSOX-NEPJUHHUSA-N 1 2 240.347 1.662 20 30 BDEDLO C[C@@]1(C(N)=O)CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595468353 348258669 /nfs/dbraw/zinc/25/86/69/348258669.db2.gz YQJCUVUNKHKLHQ-GXTWGEPZSA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@@]1(C(N)=O)CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595468353 348258672 /nfs/dbraw/zinc/25/86/72/348258672.db2.gz YQJCUVUNKHKLHQ-GXTWGEPZSA-N 1 2 243.310 1.449 20 30 BDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000595518128 348260621 /nfs/dbraw/zinc/26/06/21/348260621.db2.gz PRZVXZGKZQDOFW-NSHDSACASA-N 1 2 244.360 1.189 20 30 BDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CCCC#N ZINC000595518128 348260623 /nfs/dbraw/zinc/26/06/23/348260623.db2.gz PRZVXZGKZQDOFW-NSHDSACASA-N 1 2 244.360 1.189 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)nc(C)n1 ZINC000595531825 348273929 /nfs/dbraw/zinc/27/39/29/348273929.db2.gz XZDAQPAHJMIOJE-NSHDSACASA-N 1 2 218.304 1.875 20 30 BDEDLO Cn1ccnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617430 348289984 /nfs/dbraw/zinc/28/99/84/348289984.db2.gz ZTLAGEVCZKZEAO-NSHDSACASA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1ccnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617430 348289986 /nfs/dbraw/zinc/28/99/86/348289986.db2.gz ZTLAGEVCZKZEAO-NSHDSACASA-N 1 2 218.304 1.546 20 30 BDEDLO CCN1CC[C@@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000595500703 348263401 /nfs/dbraw/zinc/26/34/01/348263401.db2.gz KBXPNFXIIZKJNJ-SNVBAGLBSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[C@@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000595500703 348263404 /nfs/dbraw/zinc/26/34/04/348263404.db2.gz KBXPNFXIIZKJNJ-SNVBAGLBSA-N 1 2 223.320 1.089 20 30 BDEDLO CC[N@H+](CCC(=O)N1CCC[C@@H]1C)[C@@H](C)C#N ZINC000595813069 348352714 /nfs/dbraw/zinc/35/27/14/348352714.db2.gz JWXWYVWBUUIABP-RYUDHWBXSA-N 1 2 237.347 1.621 20 30 BDEDLO CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)[C@@H](C)C#N ZINC000595813069 348352717 /nfs/dbraw/zinc/35/27/17/348352717.db2.gz JWXWYVWBUUIABP-RYUDHWBXSA-N 1 2 237.347 1.621 20 30 BDEDLO C[C@H](C#N)[N@H+](CC1CCOCC1)C1CC1 ZINC000595713094 348324681 /nfs/dbraw/zinc/32/46/81/348324681.db2.gz RPXGQUJDJVLNPY-SNVBAGLBSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H](C#N)[N@@H+](CC1CCOCC1)C1CC1 ZINC000595713094 348324683 /nfs/dbraw/zinc/32/46/83/348324683.db2.gz RPXGQUJDJVLNPY-SNVBAGLBSA-N 1 2 208.305 1.789 20 30 BDEDLO CN1CC[N@H+](Cc2ccc(C#N)s2)CCC1=O ZINC000595771439 348336755 /nfs/dbraw/zinc/33/67/55/348336755.db2.gz BZRIWVUMKNFFJH-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO CN1CC[N@@H+](Cc2ccc(C#N)s2)CCC1=O ZINC000595771439 348336757 /nfs/dbraw/zinc/33/67/57/348336757.db2.gz BZRIWVUMKNFFJH-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595774230 348337306 /nfs/dbraw/zinc/33/73/06/348337306.db2.gz FRWCWZIQRYBZKX-CMPLNLGQSA-N 1 2 247.310 1.194 20 30 BDEDLO CC[N@H+](C[C@@H]1CCNC(=O)CC1)[C@H](C)C#N ZINC000595816101 348343442 /nfs/dbraw/zinc/34/34/42/348343442.db2.gz DSSKGUIGXFOKMZ-MNOVXSKESA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H](C)C#N ZINC000595816101 348343445 /nfs/dbraw/zinc/34/34/45/348343445.db2.gz DSSKGUIGXFOKMZ-MNOVXSKESA-N 1 2 223.320 1.137 20 30 BDEDLO CCCCCNC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834056 348367521 /nfs/dbraw/zinc/36/75/21/348367521.db2.gz GNPOUWMGBQTFST-CYBMUJFWSA-N 1 2 237.347 1.528 20 30 BDEDLO CCCCCNC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834056 348367523 /nfs/dbraw/zinc/36/75/23/348367523.db2.gz GNPOUWMGBQTFST-CYBMUJFWSA-N 1 2 237.347 1.528 20 30 BDEDLO Cc1nccc(C[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595840390 348374585 /nfs/dbraw/zinc/37/45/85/348374585.db2.gz ASPGLHZKJUTJHN-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1nccc(C[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595840390 348374586 /nfs/dbraw/zinc/37/45/86/348374586.db2.gz ASPGLHZKJUTJHN-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO CCOC(=O)CCCC[N@H+](CC)[C@@H](C)C#N ZINC000595814112 348353266 /nfs/dbraw/zinc/35/32/66/348353266.db2.gz QSBAYHOYQJKKKO-NSHDSACASA-N 1 2 226.320 1.954 20 30 BDEDLO CCOC(=O)CCCC[N@@H+](CC)[C@@H](C)C#N ZINC000595814112 348353271 /nfs/dbraw/zinc/35/32/71/348353271.db2.gz QSBAYHOYQJKKKO-NSHDSACASA-N 1 2 226.320 1.954 20 30 BDEDLO C=C[C@H]([NH2+]C1(CC(C)C)CC1)C(=O)OC ZINC000595831732 348365654 /nfs/dbraw/zinc/36/56/54/348365654.db2.gz QTPFCAMXPFYGAN-JTQLQIEISA-N 1 2 211.305 1.882 20 30 BDEDLO CC[C@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000419359073 192126578 /nfs/dbraw/zinc/12/65/78/192126578.db2.gz VQKCRJJPBQPIAL-VIFPVBQESA-N 1 2 212.293 1.467 20 30 BDEDLO C=C[C@H]([NH2+]CC1(SCC)CC1)C(=O)OC ZINC000596044128 348428800 /nfs/dbraw/zinc/42/88/00/348428800.db2.gz AONYRBBWATVOJT-VIFPVBQESA-N 1 2 229.345 1.589 20 30 BDEDLO Cc1nc(N2CCc3[nH+]c[nH]c3C2)ccc1C#N ZINC000596236680 348482121 /nfs/dbraw/zinc/48/21/21/348482121.db2.gz KSTYDSDNPZBAKS-UHFFFAOYSA-N 1 2 239.282 1.548 20 30 BDEDLO N#Cc1cnc(N2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000596237223 348482720 /nfs/dbraw/zinc/48/27/20/348482720.db2.gz RHZHTDZZYUWWQQ-UHFFFAOYSA-N 1 2 243.245 1.378 20 30 BDEDLO COCCC1CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000596364913 348510856 /nfs/dbraw/zinc/51/08/56/348510856.db2.gz LHSPJYNXIIQIRY-UHFFFAOYSA-N 1 2 231.299 1.734 20 30 BDEDLO C=CCCSCCNc1cc[nH+]c(C)n1 ZINC000596413053 348538034 /nfs/dbraw/zinc/53/80/34/348538034.db2.gz BXJZYADTQTVROG-UHFFFAOYSA-N 1 2 223.345 1.928 20 30 BDEDLO Cc1cc(NC[C@H]2CCOC2(C)C)c(C#N)c[nH+]1 ZINC000596544220 348584249 /nfs/dbraw/zinc/58/42/49/348584249.db2.gz NKIMHAYNSGSADX-GFCCVEGCSA-N 1 2 245.326 1.911 20 30 BDEDLO CCn1nccc1CNc1cc(C)[nH+]cc1C#N ZINC000596573945 348590976 /nfs/dbraw/zinc/59/09/76/348590976.db2.gz ZQXLHHQUQQUHMR-UHFFFAOYSA-N 1 2 241.298 1.512 20 30 BDEDLO C=CCOCCCNc1cc(C)[nH+]cc1C#N ZINC000596473658 348553345 /nfs/dbraw/zinc/55/33/45/348553345.db2.gz QFBVXNIBBYHSBL-UHFFFAOYSA-N 1 2 231.299 1.688 20 30 BDEDLO Cc1cc(N2CCC3(COC3)C2)c(C#N)c[nH+]1 ZINC000596528760 348565589 /nfs/dbraw/zinc/56/55/89/348565589.db2.gz AFVZSPBUCQSEPP-UHFFFAOYSA-N 1 2 229.283 1.488 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc3c2OCO3)C1 ZINC000597191343 348670793 /nfs/dbraw/zinc/67/07/93/348670793.db2.gz FCADIMBTXPUKOF-UHFFFAOYSA-N 1 2 230.267 1.761 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc2n(n1)CCC2 ZINC000597084435 348656063 /nfs/dbraw/zinc/65/60/63/348656063.db2.gz ZIASTIGUDHEMCO-SECBINFHSA-N 1 2 204.277 1.221 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000597084386 348656226 /nfs/dbraw/zinc/65/62/26/348656226.db2.gz ZBDZVDGJSMSPJW-ZETCQYMHSA-N 1 2 246.236 1.688 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn2c1CCC2 ZINC000596993015 348644337 /nfs/dbraw/zinc/64/43/37/348644337.db2.gz XFLFFEZTIQIDER-JTQLQIEISA-N 1 2 218.304 1.421 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn2c1CCC2 ZINC000596993015 348644339 /nfs/dbraw/zinc/64/43/39/348644339.db2.gz XFLFFEZTIQIDER-JTQLQIEISA-N 1 2 218.304 1.421 20 30 BDEDLO COc1nccnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597178483 348680803 /nfs/dbraw/zinc/68/08/03/348680803.db2.gz YHZDYCOTOFNGKI-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO COc1nccnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597178483 348680805 /nfs/dbraw/zinc/68/08/05/348680805.db2.gz YHZDYCOTOFNGKI-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO Cc1cc(NC(=O)[C@@H](C)CC#N)c(C)c[nH+]1 ZINC000597422344 348739570 /nfs/dbraw/zinc/73/95/70/348739570.db2.gz VQDJRDRLTYXIEU-QMMMGPOBSA-N 1 2 217.272 1.609 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597228548 348696500 /nfs/dbraw/zinc/69/65/00/348696500.db2.gz CSQXPKSOZMLMEO-LBPRGKRZSA-N 1 2 218.304 1.762 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597228548 348696505 /nfs/dbraw/zinc/69/65/05/348696505.db2.gz CSQXPKSOZMLMEO-LBPRGKRZSA-N 1 2 218.304 1.762 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000597230628 348698718 /nfs/dbraw/zinc/69/87/18/348698718.db2.gz HIOYCMWCCHZYSZ-ZDUSSCGKSA-N 1 2 230.315 1.565 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000597230628 348698721 /nfs/dbraw/zinc/69/87/21/348698721.db2.gz HIOYCMWCCHZYSZ-ZDUSSCGKSA-N 1 2 230.315 1.565 20 30 BDEDLO C[C@@H](CC#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000597267058 348703348 /nfs/dbraw/zinc/70/33/48/348703348.db2.gz QXGHJRSAOVCEEA-NSHDSACASA-N 1 2 246.314 1.550 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597489787 348748733 /nfs/dbraw/zinc/74/87/33/348748733.db2.gz OHMSADZCRCPXFP-SECBINFHSA-N 1 2 246.314 1.181 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597489787 348748736 /nfs/dbraw/zinc/74/87/36/348748736.db2.gz OHMSADZCRCPXFP-SECBINFHSA-N 1 2 246.314 1.181 20 30 BDEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597865139 348831609 /nfs/dbraw/zinc/83/16/09/348831609.db2.gz TZDDHVCWTHDKTL-UHFFFAOYSA-N 1 2 243.270 1.190 20 30 BDEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597865139 348831611 /nfs/dbraw/zinc/83/16/11/348831611.db2.gz TZDDHVCWTHDKTL-UHFFFAOYSA-N 1 2 243.270 1.190 20 30 BDEDLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)C#N ZINC000598348008 348935000 /nfs/dbraw/zinc/93/50/00/348935000.db2.gz CEZWNYZOCTXCHG-WDEREUQCSA-N 1 2 234.303 1.595 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C)C#N ZINC000598356568 348940516 /nfs/dbraw/zinc/94/05/16/348940516.db2.gz RMCQNRYYTPQQCC-MNOVXSKESA-N 1 2 246.314 1.206 20 30 BDEDLO CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H](C)C#N ZINC000598360827 348945898 /nfs/dbraw/zinc/94/58/98/348945898.db2.gz VZFSHLHYOLRGRI-SNVBAGLBSA-N 1 2 242.282 1.708 20 30 BDEDLO C[C@@H](C#N)N(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000598137097 348904798 /nfs/dbraw/zinc/90/47/98/348904798.db2.gz LQCUELVTFSIPMK-UWVGGRQHSA-N 1 2 246.314 1.491 20 30 BDEDLO C[C@@H](C#N)N(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000598137097 348904801 /nfs/dbraw/zinc/90/48/01/348904801.db2.gz LQCUELVTFSIPMK-UWVGGRQHSA-N 1 2 246.314 1.491 20 30 BDEDLO N#CC1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC000598305184 348928190 /nfs/dbraw/zinc/92/81/90/348928190.db2.gz QSSNCXOARVDVKG-UHFFFAOYSA-N 1 2 246.314 1.473 20 30 BDEDLO Cc1[nH]c(C(=O)NCC2(C#N)CCCCC2)c[nH+]1 ZINC000598308678 348928751 /nfs/dbraw/zinc/92/87/51/348928751.db2.gz PHDFTLATWBMAGJ-UHFFFAOYSA-N 1 2 246.314 1.922 20 30 BDEDLO C#CCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000372944663 348929293 /nfs/dbraw/zinc/92/92/93/348929293.db2.gz YJNZNFURFDZUPR-LLVKDONJSA-N 1 2 231.299 1.877 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465343 348978386 /nfs/dbraw/zinc/97/83/86/348978386.db2.gz QLHLILJRNRGFDV-BDAKNGLRSA-N 1 2 220.276 1.147 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](C)C#N ZINC000598363912 348949785 /nfs/dbraw/zinc/94/97/85/348949785.db2.gz WMUISFIKLYXSBT-MNOVXSKESA-N 1 2 246.314 1.206 20 30 BDEDLO C[C@@]1(C#N)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000598417360 348971303 /nfs/dbraw/zinc/97/13/03/348971303.db2.gz ZEARHESPKUUMRK-LBPRGKRZSA-N 1 2 232.287 1.035 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CC2(CC2)C1 ZINC000598836708 349052535 /nfs/dbraw/zinc/05/25/35/349052535.db2.gz PBKFEQDPSGCLHJ-GFCCVEGCSA-N 1 2 235.331 1.137 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000598939369 349061703 /nfs/dbraw/zinc/06/17/03/349061703.db2.gz IRKDKMKWZVIYHS-UHFFFAOYSA-N 1 2 244.323 1.901 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000598939369 349061706 /nfs/dbraw/zinc/06/17/06/349061706.db2.gz IRKDKMKWZVIYHS-UHFFFAOYSA-N 1 2 244.323 1.901 20 30 BDEDLO CO[C@H]1C[C@@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000599207012 349119445 /nfs/dbraw/zinc/11/94/45/349119445.db2.gz UYMSHFFUKYGEHV-KLPPZKSPSA-N 1 2 231.299 1.521 20 30 BDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599394348 349170250 /nfs/dbraw/zinc/17/02/50/349170250.db2.gz 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/nfs/dbraw/zinc/24/80/78/350248078.db2.gz KFFIDNWIKXILSJ-SNVBAGLBSA-N 1 2 234.303 1.073 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(C2CC2)C1=O ZINC000336707735 350460455 /nfs/dbraw/zinc/46/04/55/350460455.db2.gz HSJAIUJVORQMKK-PWSUYJOCSA-N 1 2 235.331 1.231 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(C2CC2)C1=O ZINC000336707735 350460457 /nfs/dbraw/zinc/46/04/57/350460457.db2.gz HSJAIUJVORQMKK-PWSUYJOCSA-N 1 2 235.331 1.231 20 30 BDEDLO C=C(CC)C[N@@H+](CC(=O)OCC)C1CC1 ZINC000097209113 350692694 /nfs/dbraw/zinc/69/26/94/350692694.db2.gz AWTXBHMMVVXCTG-UHFFFAOYSA-N 1 2 211.305 1.980 20 30 BDEDLO C=C(CC)C[N@H+](CC(=O)OCC)C1CC1 ZINC000097209113 350692696 /nfs/dbraw/zinc/69/26/96/350692696.db2.gz AWTXBHMMVVXCTG-UHFFFAOYSA-N 1 2 211.305 1.980 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009888 350908291 /nfs/dbraw/zinc/90/82/91/350908291.db2.gz CECOPQQSDHALBD-LLVKDONJSA-N 1 2 249.314 1.422 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009888 350908294 /nfs/dbraw/zinc/90/82/94/350908294.db2.gz CECOPQQSDHALBD-LLVKDONJSA-N 1 2 249.314 1.422 20 30 BDEDLO CCn1ncnc1C[NH+]1CCC(C)(C#N)CC1 ZINC000226318851 350910226 /nfs/dbraw/zinc/91/02/26/350910226.db2.gz MBUPDQKAPYEERX-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO CC#CCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626388142 351024110 /nfs/dbraw/zinc/02/41/10/351024110.db2.gz CNOGZVHXTYGVMV-LBPRGKRZSA-N 1 2 245.326 1.284 20 30 BDEDLO C=CCNC(=O)C[N@H+](CC)CCC(F)(F)F ZINC000623121682 351053070 /nfs/dbraw/zinc/05/30/70/351053070.db2.gz CCPWPKGECKQNRA-UHFFFAOYSA-N 1 2 238.253 1.563 20 30 BDEDLO C=CCNC(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000623121682 351053071 /nfs/dbraw/zinc/05/30/71/351053071.db2.gz CCPWPKGECKQNRA-UHFFFAOYSA-N 1 2 238.253 1.563 20 30 BDEDLO CC(C)[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000336704241 351068736 /nfs/dbraw/zinc/06/87/36/351068736.db2.gz QNRXMTTYLYLXPJ-LBPRGKRZSA-N 1 2 210.321 1.771 20 30 BDEDLO CC(C)[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000336704241 351068737 /nfs/dbraw/zinc/06/87/37/351068737.db2.gz QNRXMTTYLYLXPJ-LBPRGKRZSA-N 1 2 210.321 1.771 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572852668 351077154 /nfs/dbraw/zinc/07/71/54/351077154.db2.gz JTBWWXREDRDEGU-SNVBAGLBSA-N 1 2 246.314 1.841 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc2cnccn12 ZINC000271121394 351402135 /nfs/dbraw/zinc/40/21/35/351402135.db2.gz ICRCYXICMNZLEU-JTQLQIEISA-N 1 2 229.287 1.321 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc2cnccn12 ZINC000271121394 351402137 /nfs/dbraw/zinc/40/21/37/351402137.db2.gz ICRCYXICMNZLEU-JTQLQIEISA-N 1 2 229.287 1.321 20 30 BDEDLO C[C@H](C#N)CN(C)Cc1cccc2[nH+]ccn21 ZINC000271713230 351429031 /nfs/dbraw/zinc/42/90/31/351429031.db2.gz HPSRNWSDQFUSMG-LLVKDONJSA-N 1 2 228.299 1.926 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000353172407 351410244 /nfs/dbraw/zinc/41/02/44/351410244.db2.gz LGAVGENNCTUQLG-UHFFFAOYSA-N 1 2 234.303 1.350 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000353172407 351410249 /nfs/dbraw/zinc/41/02/49/351410249.db2.gz LGAVGENNCTUQLG-UHFFFAOYSA-N 1 2 234.303 1.350 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CC#N)C1=O ZINC000282003636 351920310 /nfs/dbraw/zinc/92/03/10/351920310.db2.gz NTZRRIXLESDLMH-MNOVXSKESA-N 1 2 221.304 1.007 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)CC#N)C1=O ZINC000282003636 351920311 /nfs/dbraw/zinc/92/03/11/351920311.db2.gz NTZRRIXLESDLMH-MNOVXSKESA-N 1 2 221.304 1.007 20 30 BDEDLO C=CC[N@H+](CCC#N)CC1=CCCOC1 ZINC000292885544 166339430 /nfs/dbraw/zinc/33/94/30/166339430.db2.gz YEVJIUZVCGOMOQ-UHFFFAOYSA-N 1 2 206.289 1.735 20 30 BDEDLO C=CC[N@@H+](CCC#N)CC1=CCCOC1 ZINC000292885544 166339432 /nfs/dbraw/zinc/33/94/32/166339432.db2.gz YEVJIUZVCGOMOQ-UHFFFAOYSA-N 1 2 206.289 1.735 20 30 BDEDLO Cc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000283920940 351986704 /nfs/dbraw/zinc/98/67/04/351986704.db2.gz DWBAEOPHAGSDCI-GFCCVEGCSA-N 1 2 234.299 1.963 20 30 BDEDLO Cc1csc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000283908734 351986749 /nfs/dbraw/zinc/98/67/49/351986749.db2.gz DMOBEKPCLXTZKK-QMMMGPOBSA-N 1 2 241.316 1.419 20 30 BDEDLO N#CCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284023883 351989663 /nfs/dbraw/zinc/98/96/63/351989663.db2.gz OUDLBIDYTNWTCY-SNAWJCMRSA-N 1 2 218.260 1.233 20 30 BDEDLO C=CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289407439 352184227 /nfs/dbraw/zinc/18/42/27/352184227.db2.gz GNVCCBPUFAWWJP-UHFFFAOYSA-N 1 2 248.355 1.631 20 30 BDEDLO COc1cncc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000290150285 352211514 /nfs/dbraw/zinc/21/15/14/352211514.db2.gz CPZRALIHYDBBPE-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO COc1cncc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000290150285 352211518 /nfs/dbraw/zinc/21/15/18/352211518.db2.gz CPZRALIHYDBBPE-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO CC(C)C(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411135209 191161435 /nfs/dbraw/zinc/16/14/35/191161435.db2.gz KSUJNRNHZOQDNU-LBPRGKRZSA-N 1 2 237.347 1.479 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000292314865 352314121 /nfs/dbraw/zinc/31/41/21/352314121.db2.gz VNRXMSVNWNQZBV-HNNXBMFYSA-N 1 2 244.338 1.992 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000292314865 352314124 /nfs/dbraw/zinc/31/41/24/352314124.db2.gz VNRXMSVNWNQZBV-HNNXBMFYSA-N 1 2 244.338 1.992 20 30 BDEDLO N#CCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000292315197 352314356 /nfs/dbraw/zinc/31/43/56/352314356.db2.gz ZOJUPJOBEYEQBK-UHFFFAOYSA-N 1 2 228.255 1.967 20 30 BDEDLO C=C[C@@H]([NH2+]CC1CCCCC1)C(=O)OC ZINC000300947114 363175825 /nfs/dbraw/zinc/17/58/25/363175825.db2.gz FMDNJNKJAWYMRE-LLVKDONJSA-N 1 2 211.305 1.884 20 30 BDEDLO CC(C)[C@H]([NH2+]CCC#N)c1nnc2ccccn21 ZINC000411489510 191188241 /nfs/dbraw/zinc/18/82/41/191188241.db2.gz MWDVCJKQBLSVNH-LBPRGKRZSA-N 1 2 243.314 1.930 20 30 BDEDLO CC(C)N1CC[N@@H+]([C@H](C)CCC#N)CC1=O ZINC000411504080 191189491 /nfs/dbraw/zinc/18/94/91/191189491.db2.gz YKCBJSDEVYBMIQ-LLVKDONJSA-N 1 2 223.320 1.231 20 30 BDEDLO CC(C)N1CC[N@H+]([C@H](C)CCC#N)CC1=O ZINC000411504080 191189494 /nfs/dbraw/zinc/18/94/94/191189494.db2.gz YKCBJSDEVYBMIQ-LLVKDONJSA-N 1 2 223.320 1.231 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411616925 191198202 /nfs/dbraw/zinc/19/82/02/191198202.db2.gz FWSGLNASJCVMON-KIGUWFBYSA-N 1 2 228.361 1.520 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411616925 191198205 /nfs/dbraw/zinc/19/82/05/191198205.db2.gz FWSGLNASJCVMON-KIGUWFBYSA-N 1 2 228.361 1.520 20 30 BDEDLO C=CC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000334174790 352759468 /nfs/dbraw/zinc/75/94/68/352759468.db2.gz CJRCVWCIMDGTSF-LBPRGKRZSA-N 1 2 235.331 1.596 20 30 BDEDLO C=CC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000334174790 352759470 /nfs/dbraw/zinc/75/94/70/352759470.db2.gz CJRCVWCIMDGTSF-LBPRGKRZSA-N 1 2 235.331 1.596 20 30 BDEDLO C=CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000028957331 166358463 /nfs/dbraw/zinc/35/84/63/166358463.db2.gz ABXIURKZPIWOPL-ZDUSSCGKSA-N 1 2 219.284 1.952 20 30 BDEDLO C=CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000028957331 166358465 /nfs/dbraw/zinc/35/84/65/166358465.db2.gz ABXIURKZPIWOPL-ZDUSSCGKSA-N 1 2 219.284 1.952 20 30 BDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000329296134 538108819 /nfs/dbraw/zinc/10/88/19/538108819.db2.gz SSMWNSRKJOWMKH-GXSJLCMTSA-N 1 2 232.287 1.991 20 30 BDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000329296134 538108820 /nfs/dbraw/zinc/10/88/20/538108820.db2.gz SSMWNSRKJOWMKH-GXSJLCMTSA-N 1 2 232.287 1.991 20 30 BDEDLO C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000329290645 538108855 /nfs/dbraw/zinc/10/88/55/538108855.db2.gz QNTYYAAQQFQPNH-LBPRGKRZSA-N 1 2 237.303 1.725 20 30 BDEDLO C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000329290645 538108856 /nfs/dbraw/zinc/10/88/56/538108856.db2.gz QNTYYAAQQFQPNH-LBPRGKRZSA-N 1 2 237.303 1.725 20 30 BDEDLO Cn1cncc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329647571 538109332 /nfs/dbraw/zinc/10/93/32/538109332.db2.gz BJPKKQSMTZRXIL-MRVPVSSYSA-N 1 2 245.286 1.005 20 30 BDEDLO Cn1cncc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329647571 538109333 /nfs/dbraw/zinc/10/93/33/538109333.db2.gz BJPKKQSMTZRXIL-MRVPVSSYSA-N 1 2 245.286 1.005 20 30 BDEDLO N#CCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330885220 353191180 /nfs/dbraw/zinc/19/11/80/353191180.db2.gz FKTCPDXZEMQVKT-UHFFFAOYSA-N 1 2 246.314 1.810 20 30 BDEDLO N#CCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330885220 353191181 /nfs/dbraw/zinc/19/11/81/353191181.db2.gz FKTCPDXZEMQVKT-UHFFFAOYSA-N 1 2 246.314 1.810 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)CCc1c[nH+]cn1C ZINC000331053192 353213780 /nfs/dbraw/zinc/21/37/80/353213780.db2.gz MYFPKFQHFOYSOY-LLVKDONJSA-N 1 2 248.330 1.361 20 30 BDEDLO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000251368517 353283873 /nfs/dbraw/zinc/28/38/73/353283873.db2.gz YBFOIUNXEOGYJZ-MNOVXSKESA-N 1 2 239.363 1.771 20 30 BDEDLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000251368517 353283875 /nfs/dbraw/zinc/28/38/75/353283875.db2.gz YBFOIUNXEOGYJZ-MNOVXSKESA-N 1 2 239.363 1.771 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000252030558 353296199 /nfs/dbraw/zinc/29/61/99/353296199.db2.gz ZEMMCFQZCMVLDK-VWYCJHECSA-N 1 2 225.336 1.381 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000252030558 353296202 /nfs/dbraw/zinc/29/62/02/353296202.db2.gz ZEMMCFQZCMVLDK-VWYCJHECSA-N 1 2 225.336 1.381 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000133908800 353434294 /nfs/dbraw/zinc/43/42/94/353434294.db2.gz AMTFRDPCSDGJCU-UHFFFAOYSA-N 1 2 248.301 1.486 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133908800 353434295 /nfs/dbraw/zinc/43/42/95/353434295.db2.gz AMTFRDPCSDGJCU-UHFFFAOYSA-N 1 2 248.301 1.486 20 30 BDEDLO C#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000282878250 353485192 /nfs/dbraw/zinc/48/51/92/353485192.db2.gz VEKXULWGUCGZAZ-MVIFTORASA-N 1 2 217.272 1.197 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)nn(CCC)c1C ZINC000093461355 353486601 /nfs/dbraw/zinc/48/66/01/353486601.db2.gz CLCBKXPZINUSRR-UHFFFAOYSA-N 1 2 243.354 1.978 20 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C=C(Cl)C[N@H+](CCC)[C@H]1CC(=O)N(C)C1=O ZINC000282569091 353476476 /nfs/dbraw/zinc/47/64/76/353476476.db2.gz VAHGPMZFMMPSRY-VIFPVBQESA-N 1 2 244.722 1.208 20 30 BDEDLO C=CCC[C@@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191964781 353528705 /nfs/dbraw/zinc/52/87/05/353528705.db2.gz VKJVYXGAYOSBKL-MXWKQRLJSA-N 1 2 229.320 1.243 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000192228496 353538207 /nfs/dbraw/zinc/53/82/07/353538207.db2.gz XWMKCWYYHRKOQM-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000192228496 353538210 /nfs/dbraw/zinc/53/82/10/353538210.db2.gz XWMKCWYYHRKOQM-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C#C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC000288211263 353603555 /nfs/dbraw/zinc/60/35/55/353603555.db2.gz MXFXGLPESUIEQW-NSHDSACASA-N 1 2 233.315 1.437 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000286268012 353554237 /nfs/dbraw/zinc/55/42/37/353554237.db2.gz TXSJEMLWHMNUMP-UHFFFAOYSA-N 1 2 233.315 1.588 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000286268012 353554241 /nfs/dbraw/zinc/55/42/41/353554241.db2.gz TXSJEMLWHMNUMP-UHFFFAOYSA-N 1 2 233.315 1.588 20 30 BDEDLO C#CC[N@@H+](CC(=O)NC)Cc1ccc(F)cc1 ZINC000062363768 353558477 /nfs/dbraw/zinc/55/84/77/353558477.db2.gz IIFLEYDRWKGXHY-UHFFFAOYSA-N 1 2 234.274 1.007 20 30 BDEDLO C#CC[N@H+](CC(=O)NC)Cc1ccc(F)cc1 ZINC000062363768 353558479 /nfs/dbraw/zinc/55/84/79/353558479.db2.gz IIFLEYDRWKGXHY-UHFFFAOYSA-N 1 2 234.274 1.007 20 30 BDEDLO C=C[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000290285698 353652942 /nfs/dbraw/zinc/65/29/42/353652942.db2.gz IKVVVTMMDPQFHP-VIFPVBQESA-N 1 2 221.260 1.058 20 30 BDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1C)C(C)(C)C ZINC000288858523 353608574 /nfs/dbraw/zinc/60/85/74/353608574.db2.gz MVOPNTPPOXMRMM-SNVBAGLBSA-N 1 2 248.330 1.267 20 30 BDEDLO CC#CC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184661975 353695502 /nfs/dbraw/zinc/69/55/02/353695502.db2.gz WSHNSCIMTWQGKO-LBPRGKRZSA-N 1 2 249.383 1.845 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000292400572 353712508 /nfs/dbraw/zinc/71/25/08/353712508.db2.gz TVTOPYMJHIMLBM-NSHDSACASA-N 1 2 234.299 1.158 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000292400572 353712511 /nfs/dbraw/zinc/71/25/11/353712511.db2.gz TVTOPYMJHIMLBM-NSHDSACASA-N 1 2 234.299 1.158 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000292853560 353726496 /nfs/dbraw/zinc/72/64/96/353726496.db2.gz ZMDFYVXPAZFNJO-JTQLQIEISA-N 1 2 249.314 1.854 20 30 BDEDLO C=CC[NH+](CC=C)Cc1nccnc1OC ZINC000294610232 353786020 /nfs/dbraw/zinc/78/60/20/353786020.db2.gz WDYKCGWAIBXZCX-UHFFFAOYSA-N 1 2 219.288 1.659 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296904383 353837262 /nfs/dbraw/zinc/83/72/62/353837262.db2.gz VYURFLWKXMRGDP-VIFPVBQESA-N 1 2 232.711 1.511 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296904383 353837264 /nfs/dbraw/zinc/83/72/64/353837264.db2.gz VYURFLWKXMRGDP-VIFPVBQESA-N 1 2 232.711 1.511 20 30 BDEDLO C=CC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000294957908 353794493 /nfs/dbraw/zinc/79/44/93/353794493.db2.gz YWKZCSXCXIVXTD-JQWIXIFHSA-N 1 2 243.314 1.843 20 30 BDEDLO N#CC[N@H+](CCn1cccn1)C1CCCC1 ZINC000078003442 181040781 /nfs/dbraw/zinc/04/07/81/181040781.db2.gz WZEUZICBYYZHKY-UHFFFAOYSA-N 1 2 218.304 1.651 20 30 BDEDLO N#CC[N@@H+](CCn1cccn1)C1CCCC1 ZINC000078003442 181040782 /nfs/dbraw/zinc/04/07/82/181040782.db2.gz WZEUZICBYYZHKY-UHFFFAOYSA-N 1 2 218.304 1.651 20 30 BDEDLO N#Cc1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000295968162 181102395 /nfs/dbraw/zinc/10/23/95/181102395.db2.gz IHZCIBQDJUNUBX-UHFFFAOYSA-N 1 2 218.256 1.514 20 30 BDEDLO N#Cc1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000295968162 181102397 /nfs/dbraw/zinc/10/23/97/181102397.db2.gz IHZCIBQDJUNUBX-UHFFFAOYSA-N 1 2 218.256 1.514 20 30 BDEDLO C=C[C@](C)(O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000578076839 366224232 /nfs/dbraw/zinc/22/42/32/366224232.db2.gz ZQYBUFBCMXLQRB-LBPRGKRZSA-N 1 2 237.303 1.088 20 30 BDEDLO CC#CCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345497464 354680505 /nfs/dbraw/zinc/68/05/05/354680505.db2.gz AKOJUWHUXKUZOO-NSHDSACASA-N 1 2 246.314 1.194 20 30 BDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCC(C)(C)C#N ZINC000345722697 354743792 /nfs/dbraw/zinc/74/37/92/354743792.db2.gz ATLLGXLLAVDJCU-OHUAYANFSA-N 1 2 242.388 1.768 20 30 BDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCC(C)(C)C#N ZINC000345722697 354743795 /nfs/dbraw/zinc/74/37/95/354743795.db2.gz ATLLGXLLAVDJCU-OHUAYANFSA-N 1 2 242.388 1.768 20 30 BDEDLO C=C[C@H]([NH2+]CCC1CCCC1)C(=O)OC ZINC000301048170 363381175 /nfs/dbraw/zinc/38/11/75/363381175.db2.gz QFZMBEUDAIHZHS-NSHDSACASA-N 1 2 211.305 1.884 20 30 BDEDLO C=C[C@H]([NH2+]CC1(C2CC2)CC1)C(=O)OC ZINC000301051317 363394983 /nfs/dbraw/zinc/39/49/83/363394983.db2.gz UFLXUMPHSONSSG-JTQLQIEISA-N 1 2 209.289 1.494 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@@H]1CCCCO1)C(=O)OC ZINC000301052413 363396389 /nfs/dbraw/zinc/39/63/89/363396389.db2.gz WCNNVLMDIKRNNZ-WDEREUQCSA-N 1 2 227.304 1.263 20 30 BDEDLO C=C(C)CN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC000346170873 354873666 /nfs/dbraw/zinc/87/36/66/354873666.db2.gz AGZJZVUQNYYXAG-UHFFFAOYSA-N 1 2 221.304 1.685 20 30 BDEDLO C=CCOCC(=O)NCCCNc1cccc[nH+]1 ZINC000346266903 354885963 /nfs/dbraw/zinc/88/59/63/354885963.db2.gz BKDXCNCKFIREKF-UHFFFAOYSA-N 1 2 249.314 1.202 20 30 BDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCCC1 ZINC000007786279 181159927 /nfs/dbraw/zinc/15/99/27/181159927.db2.gz BKTFLWPRKGFNFT-UHFFFAOYSA-N 1 2 235.312 1.654 20 30 BDEDLO CCCN(CC#N)Cc1[nH+]cc(C)n1C ZINC000342791498 535274448 /nfs/dbraw/zinc/27/44/48/535274448.db2.gz NUMVJWAFZYXDKS-UHFFFAOYSA-N 1 2 206.293 1.464 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000611140346 491071883 /nfs/dbraw/zinc/07/18/83/491071883.db2.gz UVRWOWBNATZFPB-NWDGAFQWSA-N 1 2 239.315 1.052 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000611140346 491071885 /nfs/dbraw/zinc/07/18/85/491071885.db2.gz UVRWOWBNATZFPB-NWDGAFQWSA-N 1 2 239.315 1.052 20 30 BDEDLO N#Cc1ncccc1NCCNc1cccc[nH+]1 ZINC000357327661 181171528 /nfs/dbraw/zinc/17/15/28/181171528.db2.gz JTGIQXKTEVECOS-UHFFFAOYSA-N 1 2 239.282 1.872 20 30 BDEDLO C=CC[C@H](CO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413230508 191365329 /nfs/dbraw/zinc/36/53/29/191365329.db2.gz ROWLPKYEZOEGLE-JTQLQIEISA-N 1 2 248.330 1.647 20 30 BDEDLO C=CC[C@H](CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413230508 191365332 /nfs/dbraw/zinc/36/53/32/191365332.db2.gz ROWLPKYEZOEGLE-JTQLQIEISA-N 1 2 248.330 1.647 20 30 BDEDLO CCn1cc[nH+]c1CNc1ncc(C#N)cc1F ZINC000413323508 191372180 /nfs/dbraw/zinc/37/21/80/191372180.db2.gz YIMOXKILDZUADY-UHFFFAOYSA-N 1 2 245.261 1.921 20 30 BDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349241945 355374162 /nfs/dbraw/zinc/37/41/62/355374162.db2.gz LFZSOQGMGYCPCL-NSHDSACASA-N 1 2 249.314 1.526 20 30 BDEDLO CN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000335798473 355456590 /nfs/dbraw/zinc/45/65/90/355456590.db2.gz LEHJIXKWDYVGPE-UHFFFAOYSA-N 1 2 240.266 1.468 20 30 BDEDLO C=C(C)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335801754 355470874 /nfs/dbraw/zinc/47/08/74/355470874.db2.gz RRNZGKMXGPLPDI-LLVKDONJSA-N 1 2 248.330 1.495 20 30 BDEDLO CC#CCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000349970946 355550484 /nfs/dbraw/zinc/55/04/84/355550484.db2.gz RNHXGVOWRKFEJB-UHFFFAOYSA-N 1 2 217.272 1.347 20 30 BDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCOC1 ZINC000106936961 355799500 /nfs/dbraw/zinc/79/95/00/355799500.db2.gz JWHAMTLDAQHCQZ-QMMMGPOBSA-N 1 2 220.110 1.616 20 30 BDEDLO C=C(Br)C[N@H+](C)[C@H]1CCOC1 ZINC000106936961 355799502 /nfs/dbraw/zinc/79/95/02/355799502.db2.gz JWHAMTLDAQHCQZ-QMMMGPOBSA-N 1 2 220.110 1.616 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1ncccc1C#N ZINC000345673023 355925517 /nfs/dbraw/zinc/92/55/17/355925517.db2.gz WSMZGRUWMPUIBY-UHFFFAOYSA-N 1 2 213.244 1.313 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000609561852 355892529 /nfs/dbraw/zinc/89/25/29/355892529.db2.gz VAIRLWRCGFPHLG-QWRGUYRKSA-N 1 2 231.299 1.905 20 30 BDEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nnc2n1CCC2 ZINC000583634173 355943004 /nfs/dbraw/zinc/94/30/04/355943004.db2.gz MJTWOHTXAJIOIE-JTQLQIEISA-N 1 2 233.319 1.348 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000583634173 355943008 /nfs/dbraw/zinc/94/30/08/355943008.db2.gz MJTWOHTXAJIOIE-JTQLQIEISA-N 1 2 233.319 1.348 20 30 BDEDLO C=CC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623256423 355948612 /nfs/dbraw/zinc/94/86/12/355948612.db2.gz KPMSBELEYCPPPM-UHFFFAOYSA-N 1 2 216.284 1.651 20 30 BDEDLO C=CC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623256423 355948614 /nfs/dbraw/zinc/94/86/14/355948614.db2.gz KPMSBELEYCPPPM-UHFFFAOYSA-N 1 2 216.284 1.651 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329753619 356113311 /nfs/dbraw/zinc/11/33/11/356113311.db2.gz WVBRWOYWTIZNPS-CABZTGNLSA-N 1 2 235.287 1.601 20 30 BDEDLO [O-]C(NCC1CCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330174632 356177005 /nfs/dbraw/zinc/17/70/05/356177005.db2.gz IJNNNECPXMCIIJ-NSHDSACASA-N 1 2 248.330 1.502 20 30 BDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCC1 ZINC000330174632 356177009 /nfs/dbraw/zinc/17/70/09/356177009.db2.gz IJNNNECPXMCIIJ-NSHDSACASA-N 1 2 248.330 1.502 20 30 BDEDLO CC1CC(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330179161 356178023 /nfs/dbraw/zinc/17/80/23/356178023.db2.gz FEOUXDQZWCQDFD-HSOILSAZSA-N 1 2 248.330 1.500 20 30 BDEDLO CC1CC([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330179161 356178024 /nfs/dbraw/zinc/17/80/24/356178024.db2.gz FEOUXDQZWCQDFD-HSOILSAZSA-N 1 2 248.330 1.500 20 30 BDEDLO C=CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000617618572 356189273 /nfs/dbraw/zinc/18/92/73/356189273.db2.gz VAXMSCKCIGOYKI-SNVBAGLBSA-N 1 2 219.288 1.138 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000330314223 356205184 /nfs/dbraw/zinc/20/51/84/356205184.db2.gz PBNFKYBXILHXDF-GHMZBOCLSA-N 1 2 249.314 1.581 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000352146070 134081986 /nfs/dbraw/zinc/08/19/86/134081986.db2.gz CVWFEELPTBYQOV-JTQLQIEISA-N 1 2 234.303 1.350 20 30 BDEDLO C=C[C@@H](C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336352143 356346468 /nfs/dbraw/zinc/34/64/68/356346468.db2.gz NWBWJNLJSGJNML-MNOVXSKESA-N 1 2 248.330 1.494 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000336196769 134126188 /nfs/dbraw/zinc/12/61/88/134126188.db2.gz VNERSJLSBGEXSI-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000336196769 134126189 /nfs/dbraw/zinc/12/61/89/134126189.db2.gz VNERSJLSBGEXSI-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623298591 356555555 /nfs/dbraw/zinc/55/55/55/356555555.db2.gz FBPVZMUZHNLGMH-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000352371997 134141754 /nfs/dbraw/zinc/14/17/54/134141754.db2.gz NUQFAGSEANNPPA-ZDUSSCGKSA-N 1 2 236.315 1.172 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000352371997 134141755 /nfs/dbraw/zinc/14/17/55/134141755.db2.gz NUQFAGSEANNPPA-ZDUSSCGKSA-N 1 2 236.315 1.172 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000336236202 134140384 /nfs/dbraw/zinc/14/03/84/134140384.db2.gz CJQPCRCHHNUBMY-NSHDSACASA-N 1 2 218.304 1.663 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000336236202 134140385 /nfs/dbraw/zinc/14/03/85/134140385.db2.gz CJQPCRCHHNUBMY-NSHDSACASA-N 1 2 218.304 1.663 20 30 BDEDLO Cn1ccnc1C[N@H+](C)CC1(CC#N)CC1 ZINC000088259504 356644618 /nfs/dbraw/zinc/64/46/18/356644618.db2.gz DJMJXAOBCWGAJP-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)CC1(CC#N)CC1 ZINC000088259504 356644622 /nfs/dbraw/zinc/64/46/22/356644622.db2.gz DJMJXAOBCWGAJP-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO CN(Cc1[nH+]ccn1C)CC1(CC#N)CC1 ZINC000088259504 356644625 /nfs/dbraw/zinc/64/46/25/356644625.db2.gz DJMJXAOBCWGAJP-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO COCC[N@H+](CCC#N)CC1(CC#N)CC1 ZINC000088255485 356640155 /nfs/dbraw/zinc/64/01/55/356640155.db2.gz CLIMXWBUUAIPJE-UHFFFAOYSA-N 1 2 221.304 1.542 20 30 BDEDLO COCC[N@@H+](CCC#N)CC1(CC#N)CC1 ZINC000088255485 356640157 /nfs/dbraw/zinc/64/01/57/356640157.db2.gz CLIMXWBUUAIPJE-UHFFFAOYSA-N 1 2 221.304 1.542 20 30 BDEDLO CC[C@@H](C(=O)OC)[NH+]1CCC(F)(C#N)CC1 ZINC000352448207 134145629 /nfs/dbraw/zinc/14/56/29/134145629.db2.gz FQKUKPLHDIEBJW-VIFPVBQESA-N 1 2 228.267 1.266 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609921295 356653793 /nfs/dbraw/zinc/65/37/93/356653793.db2.gz GTSMDAGUICTTLR-QWRGUYRKSA-N 1 2 232.287 1.206 20 30 BDEDLO C#CCOCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000302130240 134157418 /nfs/dbraw/zinc/15/74/18/134157418.db2.gz GOCHDCCYEIJZJR-UHFFFAOYSA-N 1 2 246.314 1.360 20 30 BDEDLO C#CCOCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000302130240 134157419 /nfs/dbraw/zinc/15/74/19/134157419.db2.gz GOCHDCCYEIJZJR-UHFFFAOYSA-N 1 2 246.314 1.360 20 30 BDEDLO C=C[C@@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000354848783 134170586 /nfs/dbraw/zinc/17/05/86/134170586.db2.gz QUCLDYYRURJZNU-SECBINFHSA-N 1 2 246.301 1.654 20 30 BDEDLO CC#CC[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000390497975 357097019 /nfs/dbraw/zinc/09/70/19/357097019.db2.gz SSKTUONYLVMLSY-GFCCVEGCSA-N 1 2 223.316 1.721 20 30 BDEDLO C=CCCC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000356762864 538816510 /nfs/dbraw/zinc/81/65/10/538816510.db2.gz KLTYHRRKFHFDAZ-UHFFFAOYSA-N 1 2 233.315 1.783 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015798 357270955 /nfs/dbraw/zinc/27/09/55/357270955.db2.gz IUFVOLFPVYOOSX-SECBINFHSA-N 1 2 219.244 1.987 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnnn1CC ZINC000583701590 357312183 /nfs/dbraw/zinc/31/21/83/357312183.db2.gz UDOUTJGTARGJCC-VIFPVBQESA-N 1 2 207.281 1.080 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)c1ccccc1 ZINC000582973129 357449238 /nfs/dbraw/zinc/44/92/38/357449238.db2.gz PBHKCKLMLQCWQH-LBPRGKRZSA-N 1 2 245.326 1.931 20 30 BDEDLO COc1cc[nH+]c(CN(C)[C@H](C)CC#N)c1OC ZINC000188666883 357571966 /nfs/dbraw/zinc/57/19/66/357571966.db2.gz PNETZHOIGQQPCL-SNVBAGLBSA-N 1 2 249.314 1.833 20 30 BDEDLO N#CC1(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)CC1 ZINC000361401837 134204864 /nfs/dbraw/zinc/20/48/64/134204864.db2.gz DEQMNRDOASBFAX-SECBINFHSA-N 1 2 230.258 1.240 20 30 BDEDLO N#CC1(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)CC1 ZINC000361401837 134204865 /nfs/dbraw/zinc/20/48/65/134204865.db2.gz DEQMNRDOASBFAX-SECBINFHSA-N 1 2 230.258 1.240 20 30 BDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccc1 ZINC000191134948 357753074 /nfs/dbraw/zinc/75/30/74/357753074.db2.gz SCYKWZCCZHBHNI-UHFFFAOYSA-N 1 2 248.326 1.760 20 30 BDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccc1 ZINC000191134948 357753076 /nfs/dbraw/zinc/75/30/76/357753076.db2.gz SCYKWZCCZHBHNI-UHFFFAOYSA-N 1 2 248.326 1.760 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368643469 134219495 /nfs/dbraw/zinc/21/94/95/134219495.db2.gz SBLKKRSSJHPJKA-VIFPVBQESA-N 1 2 232.274 1.408 20 30 BDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000372083122 134230489 /nfs/dbraw/zinc/23/04/89/134230489.db2.gz HQAVRDMCCBFMFT-GFCCVEGCSA-N 1 2 248.351 1.634 20 30 BDEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000372083122 134230490 /nfs/dbraw/zinc/23/04/90/134230490.db2.gz HQAVRDMCCBFMFT-GFCCVEGCSA-N 1 2 248.351 1.634 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505753 357958025 /nfs/dbraw/zinc/95/80/25/357958025.db2.gz VWRCLKCKGYTUPL-LBPRGKRZSA-N 1 2 247.273 1.212 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505753 357958029 /nfs/dbraw/zinc/95/80/29/357958029.db2.gz VWRCLKCKGYTUPL-LBPRGKRZSA-N 1 2 247.273 1.212 20 30 BDEDLO C[C@H](CC#N)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610541739 357979959 /nfs/dbraw/zinc/97/99/59/357979959.db2.gz FGMPMBCTZOADSZ-SNVBAGLBSA-N 1 2 242.286 1.401 20 30 BDEDLO COc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000036667867 358050019 /nfs/dbraw/zinc/05/00/19/358050019.db2.gz VPEFXEGRYYBCIG-SNVBAGLBSA-N 1 2 204.273 1.944 20 30 BDEDLO C=CC[N@H+](Cc1cn(CC2CC2)nn1)C1CC1 ZINC000450642861 202222667 /nfs/dbraw/zinc/22/26/67/202222667.db2.gz JDIKQHIFVOOWNX-UHFFFAOYSA-N 1 2 232.331 1.839 20 30 BDEDLO C=CC[N@@H+](Cc1cn(CC2CC2)nn1)C1CC1 ZINC000450642861 202222669 /nfs/dbraw/zinc/22/26/69/202222669.db2.gz JDIKQHIFVOOWNX-UHFFFAOYSA-N 1 2 232.331 1.839 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926372 358240356 /nfs/dbraw/zinc/24/03/56/358240356.db2.gz IAGPBYHRCWJLAD-SECBINFHSA-N 1 2 219.244 1.987 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000086573712 491126913 /nfs/dbraw/zinc/12/69/13/491126913.db2.gz AYHUUHKEKSWPKH-VIFPVBQESA-N 1 2 237.328 1.629 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)Cc1ccnc(C#N)c1 ZINC000610995077 358423963 /nfs/dbraw/zinc/42/39/63/358423963.db2.gz ZTWNFZCLJWESRC-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccnc(C#N)c1 ZINC000610995077 358423966 /nfs/dbraw/zinc/42/39/66/358423966.db2.gz ZTWNFZCLJWESRC-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000610992987 358424249 /nfs/dbraw/zinc/42/42/49/358424249.db2.gz XWRWYYVDLZWUHT-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000610992987 358424251 /nfs/dbraw/zinc/42/42/51/358424251.db2.gz XWRWYYVDLZWUHT-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613665228 363615340 /nfs/dbraw/zinc/61/53/40/363615340.db2.gz NNEGVRQQNMISNT-NXEZZACHSA-N 1 2 219.288 1.216 20 30 BDEDLO C=CCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000175616419 134288089 /nfs/dbraw/zinc/28/80/89/134288089.db2.gz QHVWMEUYYBHHAS-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO CCn1cc(C[N@H+](CC)C[C@@H](C)C#N)cn1 ZINC000050539864 358733337 /nfs/dbraw/zinc/73/33/37/358733337.db2.gz GFKIZTZWWOWJGP-NSHDSACASA-N 1 2 220.320 1.885 20 30 BDEDLO CCn1cc(C[N@@H+](CC)C[C@@H](C)C#N)cn1 ZINC000050539864 358733338 /nfs/dbraw/zinc/73/33/38/358733338.db2.gz GFKIZTZWWOWJGP-NSHDSACASA-N 1 2 220.320 1.885 20 30 BDEDLO CCc1ncc(C[NH2+]C[C@H](C#N)CCC#N)o1 ZINC000578232085 366463107 /nfs/dbraw/zinc/46/31/07/366463107.db2.gz HCFBXBGRWAOZKX-JTQLQIEISA-N 1 2 232.287 1.770 20 30 BDEDLO CCNC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000177032036 134293853 /nfs/dbraw/zinc/29/38/53/134293853.db2.gz KFHXSTGVMPBABQ-UHFFFAOYSA-N 1 2 225.336 1.384 20 30 BDEDLO CCNC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000177032036 134293854 /nfs/dbraw/zinc/29/38/54/134293854.db2.gz KFHXSTGVMPBABQ-UHFFFAOYSA-N 1 2 225.336 1.384 20 30 BDEDLO CC#CC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000135269154 358828659 /nfs/dbraw/zinc/82/86/59/358828659.db2.gz BGGGKJNGZCCTHA-LBPRGKRZSA-N 1 2 240.310 1.941 20 30 BDEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611179032 358926673 /nfs/dbraw/zinc/92/66/73/358926673.db2.gz ZAPHUZSIALEKII-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000611179032 358926676 /nfs/dbraw/zinc/92/66/76/358926676.db2.gz ZAPHUZSIALEKII-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H](C)O1 ZINC000246513200 359141453 /nfs/dbraw/zinc/14/14/53/359141453.db2.gz DCJXOSMVIZZRQE-YNEHKIRRSA-N 1 2 235.331 1.929 20 30 BDEDLO CC[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H](C)O1 ZINC000246513200 359141456 /nfs/dbraw/zinc/14/14/56/359141456.db2.gz DCJXOSMVIZZRQE-YNEHKIRRSA-N 1 2 235.331 1.929 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)OC ZINC000619702124 363636325 /nfs/dbraw/zinc/63/63/25/363636325.db2.gz GRVZZPYYMGUCOP-UKKRHICBSA-N 1 2 239.315 1.117 20 30 BDEDLO CC(C)[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611502250 359384863 /nfs/dbraw/zinc/38/48/63/359384863.db2.gz HHCUOXZVHGHJIT-AWEZNQCLSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611502250 359384867 /nfs/dbraw/zinc/38/48/67/359384867.db2.gz HHCUOXZVHGHJIT-AWEZNQCLSA-N 1 2 245.326 1.810 20 30 BDEDLO C#C[C@@H]([NH2+][C@H](CC)C(=O)OC)C(C)(C)C ZINC000287124919 359468622 /nfs/dbraw/zinc/46/86/22/359468622.db2.gz GJNJNVGJVYEACW-NXEZZACHSA-N 1 2 211.305 1.576 20 30 BDEDLO C=CCN(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423627494 192818202 /nfs/dbraw/zinc/81/82/02/192818202.db2.gz IKLQMLKOKMYKKY-LLVKDONJSA-N 1 2 240.253 1.609 20 30 BDEDLO C[C@@]1(C#N)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000612163814 359716178 /nfs/dbraw/zinc/71/61/78/359716178.db2.gz UHBQLELFVRCPSU-NSHDSACASA-N 1 2 204.277 1.535 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000450810330 202271672 /nfs/dbraw/zinc/27/16/72/202271672.db2.gz XWLUZRBSXFEWFM-MNOVXSKESA-N 1 2 219.288 1.931 20 30 BDEDLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166001 359721299 /nfs/dbraw/zinc/72/12/99/359721299.db2.gz QLQCGZWJIZMSHL-PWSUYJOCSA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166001 359721305 /nfs/dbraw/zinc/72/13/05/359721305.db2.gz QLQCGZWJIZMSHL-PWSUYJOCSA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@@]1(C#N)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000612367635 359814032 /nfs/dbraw/zinc/81/40/32/359814032.db2.gz HTEADQZUPLVVRP-LBPRGKRZSA-N 1 2 232.287 1.035 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451184730 202373106 /nfs/dbraw/zinc/37/31/06/202373106.db2.gz KWCFIGDYJYRZJK-MNOVXSKESA-N 1 2 241.310 1.038 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451184730 202373109 /nfs/dbraw/zinc/37/31/09/202373109.db2.gz KWCFIGDYJYRZJK-MNOVXSKESA-N 1 2 241.310 1.038 20 30 BDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451191797 202377385 /nfs/dbraw/zinc/37/73/85/202377385.db2.gz RSNXIQOQOOWYKD-PWSUYJOCSA-N 1 2 241.310 1.085 20 30 BDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451191797 202377389 /nfs/dbraw/zinc/37/73/89/202377389.db2.gz RSNXIQOQOOWYKD-PWSUYJOCSA-N 1 2 241.310 1.085 20 30 BDEDLO CC[N@H+](Cc1cc(C#N)ccc1OC)C1COC1 ZINC000451283759 202394743 /nfs/dbraw/zinc/39/47/43/202394743.db2.gz GMSDSAZMZCEOPL-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO CC[N@@H+](Cc1cc(C#N)ccc1OC)C1COC1 ZINC000451283759 202394744 /nfs/dbraw/zinc/39/47/44/202394744.db2.gz GMSDSAZMZCEOPL-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488589269 219875840 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/nfs/dbraw/zinc/56/28/36/364562836.db2.gz SXBMGDWNFMFCFE-UHFFFAOYSA-N 1 2 232.283 1.323 20 30 BDEDLO CCC[C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573971791 364957374 /nfs/dbraw/zinc/95/73/74/364957374.db2.gz CGPIBMAVHOWMGB-YPMHNXCESA-N 1 2 239.363 1.773 20 30 BDEDLO C=CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068510848 370809779 /nfs/dbraw/zinc/80/97/79/370809779.db2.gz OLHZIBMGHFBQAF-UHFFFAOYSA-N 1 2 201.229 1.250 20 30 BDEDLO CC#CC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182234333 366872941 /nfs/dbraw/zinc/87/29/41/366872941.db2.gz YJTBQYJWLZFCKX-UHFFFAOYSA-N 1 2 248.292 1.968 20 30 BDEDLO CC#CC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182234333 366872944 /nfs/dbraw/zinc/87/29/44/366872944.db2.gz YJTBQYJWLZFCKX-UHFFFAOYSA-N 1 2 248.292 1.968 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)C[C@H](C)C#N ZINC000575910595 365410245 /nfs/dbraw/zinc/41/02/45/365410245.db2.gz LJKMJRHIJSMLNO-LLVKDONJSA-N 1 2 228.299 1.935 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)cn1)C[C@H](C)C#N ZINC000575910595 365410247 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369861305 /nfs/dbraw/zinc/86/13/05/369861305.db2.gz JKQLVWWRBNHIBH-AWEZNQCLSA-N 1 2 246.310 1.671 20 30 BDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000602897078 369861307 /nfs/dbraw/zinc/86/13/07/369861307.db2.gz JKQLVWWRBNHIBH-AWEZNQCLSA-N 1 2 246.310 1.671 20 30 BDEDLO CC(C)n1cc[nH+]c1CNc1n[nH]cc1C#N ZINC000604557226 370053269 /nfs/dbraw/zinc/05/32/69/370053269.db2.gz ZWCYGJJIPWULGV-UHFFFAOYSA-N 1 2 230.275 1.093 20 30 BDEDLO Cc1cc(N2CCC(O)CC2)c(C#N)c[nH+]1 ZINC000075563242 370145826 /nfs/dbraw/zinc/14/58/26/370145826.db2.gz PRZJXXSAYLXXFO-UHFFFAOYSA-N 1 2 217.272 1.223 20 30 BDEDLO C=CC[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621872381 370573295 /nfs/dbraw/zinc/57/32/95/370573295.db2.gz SUXSCQXIMKRFMO-SECBINFHSA-N 1 2 221.304 1.768 20 30 BDEDLO C=C[C@H]1CCCCN1c1nc(C)[nH+]c(N)n1 ZINC000631252091 372262490 /nfs/dbraw/zinc/26/24/90/372262490.db2.gz MZHYFHMZIQHOBA-VIFPVBQESA-N 1 2 219.292 1.137 20 30 BDEDLO C=C[C@H]1CCCCN1c1nc(N)nc(C)[nH+]1 ZINC000631252091 372262493 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/nfs/dbraw/zinc/87/63/34/383876334.db2.gz KYSCTJMLHWHMKN-UHFFFAOYSA-N 1 2 228.295 1.923 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCOC1=O ZINC000298520208 383910590 /nfs/dbraw/zinc/91/05/90/383910590.db2.gz LKMGUBRBMRTPDD-CYBMUJFWSA-N 1 2 229.279 1.437 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H]1CCOC1=O ZINC000298520208 383910593 /nfs/dbraw/zinc/91/05/93/383910593.db2.gz LKMGUBRBMRTPDD-CYBMUJFWSA-N 1 2 229.279 1.437 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000298538112 383912495 /nfs/dbraw/zinc/91/24/95/383912495.db2.gz SRJKXRRDADOKMO-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[N@H+](C)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000298538112 383912507 /nfs/dbraw/zinc/91/25/07/383912507.db2.gz SRJKXRRDADOKMO-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000298656654 383974147 /nfs/dbraw/zinc/97/41/47/383974147.db2.gz XSNCKZBZULNNQR-UHFFFAOYSA-N 1 2 248.301 1.349 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000298656654 383974152 /nfs/dbraw/zinc/97/41/52/383974152.db2.gz XSNCKZBZULNNQR-UHFFFAOYSA-N 1 2 248.301 1.349 20 30 BDEDLO C=CCC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000188654820 384087575 /nfs/dbraw/zinc/08/75/75/384087575.db2.gz JXORKXVXJVZEIU-UHFFFAOYSA-N 1 2 233.315 1.746 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000299401437 384206591 /nfs/dbraw/zinc/20/65/91/384206591.db2.gz UZTQPSYZFINUOD-CQSZACIVSA-N 1 2 246.354 1.202 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000363408752 134398610 /nfs/dbraw/zinc/39/86/10/134398610.db2.gz HHFMPUKWMINZRL-SNVBAGLBSA-N 1 2 243.738 1.229 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000363408752 134398612 /nfs/dbraw/zinc/39/86/12/134398612.db2.gz HHFMPUKWMINZRL-SNVBAGLBSA-N 1 2 243.738 1.229 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)CC#N)c[nH]1 ZINC000093090978 384209216 /nfs/dbraw/zinc/20/92/16/384209216.db2.gz IOLLUNAPMQHRSE-VIFPVBQESA-N 1 2 235.287 1.535 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)CC#N)c[nH]1 ZINC000093090978 384209222 /nfs/dbraw/zinc/20/92/22/384209222.db2.gz IOLLUNAPMQHRSE-VIFPVBQESA-N 1 2 235.287 1.535 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(C#N)s1 ZINC000335206638 384243182 /nfs/dbraw/zinc/24/31/82/384243182.db2.gz BNFPTZCFXMYXRD-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO Cc1cc(NCC2CCC2)c(C#N)c[nH+]1 ZINC000335508757 384295157 /nfs/dbraw/zinc/29/51/57/384295157.db2.gz BURJAQIILDUDJU-UHFFFAOYSA-N 1 2 201.273 1.896 20 30 BDEDLO N#CCOc1ccc(C[NH+]2CCOCC2)cc1 ZINC000077012605 384392745 /nfs/dbraw/zinc/39/27/45/384392745.db2.gz OMNOXMCJZNPIFA-UHFFFAOYSA-N 1 2 232.283 1.421 20 30 BDEDLO C[C@H]1C[C@@H]([NH2+]CCC#N)C(=O)N1c1ccccc1 ZINC000565536090 384427386 /nfs/dbraw/zinc/42/73/86/384427386.db2.gz UKCSLAKXKGMQIN-WCQYABFASA-N 1 2 243.310 1.684 20 30 BDEDLO C=CCCOCCNc1cc(C)[nH+]cn1 ZINC000229870754 384452782 /nfs/dbraw/zinc/45/27/82/384452782.db2.gz MJXTZEWMDKMJJX-UHFFFAOYSA-N 1 2 207.277 1.790 20 30 BDEDLO C#CC[N@H+](Cc1csnn1)C1CCCC1 ZINC000180103490 384442153 /nfs/dbraw/zinc/44/21/53/384442153.db2.gz LJFRHLPVYIMTHT-UHFFFAOYSA-N 1 2 221.329 1.916 20 30 BDEDLO C#CC[N@@H+](Cc1csnn1)C1CCCC1 ZINC000180103490 384442164 /nfs/dbraw/zinc/44/21/64/384442164.db2.gz LJFRHLPVYIMTHT-UHFFFAOYSA-N 1 2 221.329 1.916 20 30 BDEDLO C#CCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000363882562 533069413 /nfs/dbraw/zinc/06/94/13/533069413.db2.gz MZOVKFLFAMFLKT-GFCCVEGCSA-N 1 2 226.283 1.507 20 30 BDEDLO C#CC[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150846883 384512409 /nfs/dbraw/zinc/51/24/09/384512409.db2.gz PHNGKRMAVBODAS-LLVKDONJSA-N 1 2 226.283 1.551 20 30 BDEDLO COc1nccc(C[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000517924838 384574052 /nfs/dbraw/zinc/57/40/52/384574052.db2.gz AQIFZWYJMLNNPW-JTQLQIEISA-N 1 2 245.286 1.018 20 30 BDEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000283276847 533077395 /nfs/dbraw/zinc/07/73/95/533077395.db2.gz VZSGGOOGXGAENW-ZZXKWVIFSA-N 1 2 215.256 1.047 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)C[C@@](C)(O)C(F)(F)F ZINC000309803017 384625336 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/nfs/dbraw/zinc/94/54/09/384945409.db2.gz ZWHKWRWQZHQTAO-UHFFFAOYSA-N 1 2 230.271 1.517 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)o2)cn1 ZINC000119687742 384945422 /nfs/dbraw/zinc/94/54/22/384945422.db2.gz ZWHKWRWQZHQTAO-UHFFFAOYSA-N 1 2 230.271 1.517 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](CC)C[C@H](C)C#N ZINC000179772981 385049229 /nfs/dbraw/zinc/04/92/29/385049229.db2.gz XQLZDOOZFVLGHX-LLVKDONJSA-N 1 2 234.347 1.964 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+](CC)C[C@H](C)C#N ZINC000179772981 385049237 /nfs/dbraw/zinc/04/92/37/385049237.db2.gz XQLZDOOZFVLGHX-LLVKDONJSA-N 1 2 234.347 1.964 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491542781 385124616 /nfs/dbraw/zinc/12/46/16/385124616.db2.gz BYVCBQAKCNBNGI-VHSXEESVSA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491542781 385124620 /nfs/dbraw/zinc/12/46/20/385124620.db2.gz BYVCBQAKCNBNGI-VHSXEESVSA-N 1 2 219.288 1.116 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2C#C)cc1 ZINC000491543545 385133075 /nfs/dbraw/zinc/13/30/75/385133075.db2.gz HADZOWRGRHFMIN-OAHLLOKOSA-N 1 2 225.291 1.502 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2C#C)cc1 ZINC000491543545 385133081 /nfs/dbraw/zinc/13/30/81/385133081.db2.gz HADZOWRGRHFMIN-OAHLLOKOSA-N 1 2 225.291 1.502 20 30 BDEDLO COC(=O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000408054647 385280483 /nfs/dbraw/zinc/28/04/83/385280483.db2.gz UCALXBFQDJJXIL-UHFFFAOYSA-N 1 2 222.288 1.175 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000644806632 385456404 /nfs/dbraw/zinc/45/64/04/385456404.db2.gz ZGEBYALRSZVZFB-LLVKDONJSA-N 1 2 247.342 1.916 20 30 BDEDLO C#CCCCCC(=O)NCCCn1cc[nH+]c1 ZINC000179613307 385477847 /nfs/dbraw/zinc/47/78/47/385477847.db2.gz CPYNNYLMLVDQHU-UHFFFAOYSA-N 1 2 233.315 1.583 20 30 BDEDLO N#CCCCCNC(=O)NCCCn1cc[nH+]c1 ZINC000171410297 385483663 /nfs/dbraw/zinc/48/36/63/385483663.db2.gz YBXVNBSPTJAPCO-UHFFFAOYSA-N 1 2 249.318 1.266 20 30 BDEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000362354126 385506771 /nfs/dbraw/zinc/50/67/71/385506771.db2.gz TUYRTGVULSLQBZ-GFCCVEGCSA-N 1 2 216.284 1.257 20 30 BDEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000362354126 385506775 /nfs/dbraw/zinc/50/67/75/385506775.db2.gz TUYRTGVULSLQBZ-GFCCVEGCSA-N 1 2 216.284 1.257 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CC)Cc1ccccc1 ZINC000491375232 385520729 /nfs/dbraw/zinc/52/07/29/385520729.db2.gz VIFPBBJOGQBMBM-UHFFFAOYSA-N 1 2 244.338 1.600 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CC)Cc1ccccc1 ZINC000491375232 385520731 /nfs/dbraw/zinc/52/07/31/385520731.db2.gz VIFPBBJOGQBMBM-UHFFFAOYSA-N 1 2 244.338 1.600 20 30 BDEDLO C=CC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000336649873 385594456 /nfs/dbraw/zinc/59/44/56/385594456.db2.gz IZWVRUSBVCNOFP-NSHDSACASA-N 1 2 207.277 1.779 20 30 BDEDLO C#CC[N@H+]1CCC[C@@H]1c1nncn1CC(C)C ZINC000363058832 533154012 /nfs/dbraw/zinc/15/40/12/533154012.db2.gz XESMAMCKRWUDED-GFCCVEGCSA-N 1 2 232.331 1.704 20 30 BDEDLO C#CC[N@@H+]1CCC[C@@H]1c1nncn1CC(C)C ZINC000363058832 533154020 /nfs/dbraw/zinc/15/40/20/533154020.db2.gz XESMAMCKRWUDED-GFCCVEGCSA-N 1 2 232.331 1.704 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345091148 385993281 /nfs/dbraw/zinc/99/32/81/385993281.db2.gz MWOVNAIRBAKUPE-UHFFFAOYSA-N 1 2 249.314 1.474 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345091148 385993286 /nfs/dbraw/zinc/99/32/86/385993286.db2.gz MWOVNAIRBAKUPE-UHFFFAOYSA-N 1 2 249.314 1.474 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)[C@@H](C)O1 ZINC000569587899 385999332 /nfs/dbraw/zinc/99/93/32/385999332.db2.gz CTIATIGZRUXHCP-GRYCIOLGSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)[C@@H](C)O1 ZINC000569587899 385999339 /nfs/dbraw/zinc/99/93/39/385999339.db2.gz CTIATIGZRUXHCP-GRYCIOLGSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H](CNc1cccnc1C#N)[NH+]1CCOCC1 ZINC000273965417 386056637 /nfs/dbraw/zinc/05/66/37/386056637.db2.gz GFKVGEBVURCXBE-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)C1CC1 ZINC000425444370 386076967 /nfs/dbraw/zinc/07/69/67/386076967.db2.gz LSKKOCRNODLRSX-LBPRGKRZSA-N 1 2 208.305 1.813 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](OC)C1CC1 ZINC000425444370 386076972 /nfs/dbraw/zinc/07/69/72/386076972.db2.gz LSKKOCRNODLRSX-LBPRGKRZSA-N 1 2 208.305 1.813 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccc(C#N)cn1 ZINC000309530711 386085186 /nfs/dbraw/zinc/08/51/86/386085186.db2.gz DALKYCAQSPDIAP-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)o1 ZINC000334450163 386089559 /nfs/dbraw/zinc/08/95/59/386089559.db2.gz SVUUXCFIXSZLKT-CHWSQXEVSA-N 1 2 232.283 1.905 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)o1 ZINC000334450163 386089564 /nfs/dbraw/zinc/08/95/64/386089564.db2.gz SVUUXCFIXSZLKT-CHWSQXEVSA-N 1 2 232.283 1.905 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000347030996 386222584 /nfs/dbraw/zinc/22/25/84/386222584.db2.gz DCXDFSIJZGRPCD-VIFPVBQESA-N 1 2 232.287 1.275 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000347099511 386250204 /nfs/dbraw/zinc/25/02/04/386250204.db2.gz VEBDEIUWGKOEKD-SECBINFHSA-N 1 2 212.293 1.420 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000347099511 386250206 /nfs/dbraw/zinc/25/02/06/386250206.db2.gz VEBDEIUWGKOEKD-SECBINFHSA-N 1 2 212.293 1.420 20 30 BDEDLO Cc1cc(NCC(C)(C)C[C@H](C)O)c(C#N)c[nH+]1 ZINC000398987026 386322946 /nfs/dbraw/zinc/32/29/46/386322946.db2.gz ILVWPLXPZCUAKK-NSHDSACASA-N 1 2 247.342 1.893 20 30 BDEDLO CCC(CC)[C@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000398998202 386410547 /nfs/dbraw/zinc/41/05/47/386410547.db2.gz RBSQZYOHEAEWQO-CQSZACIVSA-N 1 2 247.342 1.893 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000192225260 386487054 /nfs/dbraw/zinc/48/70/54/386487054.db2.gz YIWJPEAAPRCAJU-JTQLQIEISA-N 1 2 242.282 1.758 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000192225260 386487061 /nfs/dbraw/zinc/48/70/61/386487061.db2.gz YIWJPEAAPRCAJU-JTQLQIEISA-N 1 2 242.282 1.758 20 30 BDEDLO C#CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372390270 533174060 /nfs/dbraw/zinc/17/40/60/533174060.db2.gz SBILGPIAKROAST-JTQLQIEISA-N 1 2 245.326 1.387 20 30 BDEDLO C#CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372390270 533174072 /nfs/dbraw/zinc/17/40/72/533174072.db2.gz SBILGPIAKROAST-JTQLQIEISA-N 1 2 245.326 1.387 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000048376056 386578865 /nfs/dbraw/zinc/57/88/65/386578865.db2.gz DKLIRIMVQFCBLZ-UHFFFAOYSA-N 1 2 230.311 1.753 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000048376056 386578873 /nfs/dbraw/zinc/57/88/73/386578873.db2.gz DKLIRIMVQFCBLZ-UHFFFAOYSA-N 1 2 230.311 1.753 20 30 BDEDLO Cc1cc(NC[C@H](C)CCCO)c(C#N)c[nH+]1 ZINC000399064781 386672810 /nfs/dbraw/zinc/67/28/10/386672810.db2.gz MDKHILHKSJFMEF-SNVBAGLBSA-N 1 2 233.315 1.504 20 30 BDEDLO Cc1cc(C[NH2+]Cc2cc(C#N)n(C)c2)no1 ZINC000232315039 386679562 /nfs/dbraw/zinc/67/95/62/386679562.db2.gz VVOSBLJNRJKBLP-UHFFFAOYSA-N 1 2 230.271 1.483 20 30 BDEDLO CO[C@@H]1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399356364 386690928 /nfs/dbraw/zinc/69/09/28/386690928.db2.gz FXWRGFGMOCCDIQ-VXGBXAGGSA-N 1 2 231.299 1.663 20 30 BDEDLO Cc1[nH]c(C(=O)NC[C@H](C)C[C@@H](C)O)c[nH+]1 ZINC000330437426 386695180 /nfs/dbraw/zinc/69/51/80/386695180.db2.gz BKHDRLZUVLLWLI-HTQZYQBOSA-N 1 2 225.292 1.430 20 30 BDEDLO COC(=O)C[N@H+](Cc1cccc(C#N)c1)C(C)C ZINC000049573075 386787569 /nfs/dbraw/zinc/78/75/69/386787569.db2.gz GSBOAFVSIQCTBK-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO COC(=O)C[N@@H+](Cc1cccc(C#N)c1)C(C)C ZINC000049573075 386787573 /nfs/dbraw/zinc/78/75/73/386787573.db2.gz GSBOAFVSIQCTBK-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO C=CCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330736035 386885439 /nfs/dbraw/zinc/88/54/39/386885439.db2.gz MUBCEQBALPOERU-UHFFFAOYSA-N 1 2 248.330 1.020 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000335767261 386909613 /nfs/dbraw/zinc/90/96/13/386909613.db2.gz SPKAXZGKYINKSR-NSHDSACASA-N 1 2 216.288 1.850 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000335767261 386909616 /nfs/dbraw/zinc/90/96/16/386909616.db2.gz SPKAXZGKYINKSR-NSHDSACASA-N 1 2 216.288 1.850 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000335767260 386910079 /nfs/dbraw/zinc/91/00/79/386910079.db2.gz SPKAXZGKYINKSR-LLVKDONJSA-N 1 2 216.288 1.850 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000335767260 386910081 /nfs/dbraw/zinc/91/00/81/386910081.db2.gz SPKAXZGKYINKSR-LLVKDONJSA-N 1 2 216.288 1.850 20 30 BDEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC#N)C1 ZINC000331138188 386971153 /nfs/dbraw/zinc/97/11/53/386971153.db2.gz JFBNCGKBMLGYLU-JTQLQIEISA-N 1 2 224.304 1.564 20 30 BDEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCC#N)C1 ZINC000331138188 386971158 /nfs/dbraw/zinc/97/11/58/386971158.db2.gz JFBNCGKBMLGYLU-JTQLQIEISA-N 1 2 224.304 1.564 20 30 BDEDLO CO[C@H](CNc1cc(C)[nH+]cc1C#N)C(C)C ZINC000399418463 387060747 /nfs/dbraw/zinc/06/07/47/387060747.db2.gz DTSQFHUMQOZYBF-CYBMUJFWSA-N 1 2 233.315 1.767 20 30 BDEDLO N#CCCNCc1[nH+]ccn1Cc1ccccc1 ZINC000425987442 387122513 /nfs/dbraw/zinc/12/25/13/387122513.db2.gz AOZQJZGJYPQOAO-UHFFFAOYSA-N 1 2 240.310 1.935 20 30 BDEDLO CC(C)CN1CC[N@H+](CCCC#N)CC1=O ZINC000187093371 387169527 /nfs/dbraw/zinc/16/95/27/387169527.db2.gz HKRIEFDETVSAAM-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO CC(C)CN1CC[N@@H+](CCCC#N)CC1=O ZINC000187093371 387169532 /nfs/dbraw/zinc/16/95/32/387169532.db2.gz HKRIEFDETVSAAM-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO Cn1cc(C[C@H]2CC[N@@H+](C(C)(C)C#N)C2)cn1 ZINC000161365894 387204261 /nfs/dbraw/zinc/20/42/61/387204261.db2.gz KHRHMWUBQKRQFP-LLVKDONJSA-N 1 2 232.331 1.587 20 30 BDEDLO Cn1cc(C[C@H]2CC[N@H+](C(C)(C)C#N)C2)cn1 ZINC000161365894 387204265 /nfs/dbraw/zinc/20/42/65/387204265.db2.gz KHRHMWUBQKRQFP-LLVKDONJSA-N 1 2 232.331 1.587 20 30 BDEDLO C#CCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000270564268 387432197 /nfs/dbraw/zinc/43/21/97/387432197.db2.gz YMWDABMVZCSZSO-AWEZNQCLSA-N 1 2 243.306 1.782 20 30 BDEDLO C#CCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000270564268 387432201 /nfs/dbraw/zinc/43/22/01/387432201.db2.gz YMWDABMVZCSZSO-AWEZNQCLSA-N 1 2 243.306 1.782 20 30 BDEDLO C#CCC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000270564270 387434314 /nfs/dbraw/zinc/43/43/14/387434314.db2.gz YMWDABMVZCSZSO-CQSZACIVSA-N 1 2 243.306 1.782 20 30 BDEDLO C#CCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000270564270 387434318 /nfs/dbraw/zinc/43/43/18/387434318.db2.gz YMWDABMVZCSZSO-CQSZACIVSA-N 1 2 243.306 1.782 20 30 BDEDLO C=C1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000264481446 387391399 /nfs/dbraw/zinc/39/13/99/387391399.db2.gz QEEMDNULSAHNGT-UHFFFAOYSA-N 1 2 218.300 1.860 20 30 BDEDLO C=C1CC[NH+](Cc2nnc(CC)o2)CC1 ZINC000264530141 387392220 /nfs/dbraw/zinc/39/22/20/387392220.db2.gz XPVMROINPZIPIS-UHFFFAOYSA-N 1 2 207.277 1.784 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000266944647 387408477 /nfs/dbraw/zinc/40/84/77/387408477.db2.gz RZOBCVXTGZWTAP-SNVBAGLBSA-N 1 2 235.287 1.265 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000266944647 387408481 /nfs/dbraw/zinc/40/84/81/387408481.db2.gz RZOBCVXTGZWTAP-SNVBAGLBSA-N 1 2 235.287 1.265 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000274999039 387498999 /nfs/dbraw/zinc/49/89/99/387498999.db2.gz PJPGUVWBOYMOFG-MNOVXSKESA-N 1 2 209.289 1.283 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000274999039 387499003 /nfs/dbraw/zinc/49/90/03/387499003.db2.gz PJPGUVWBOYMOFG-MNOVXSKESA-N 1 2 209.289 1.283 20 30 BDEDLO Cc1[nH]ncc1C[NH2+]Cc1cccc(C#N)c1 ZINC000037989155 387464079 /nfs/dbraw/zinc/46/40/79/387464079.db2.gz FBRRUCBCUSHRHP-UHFFFAOYSA-N 1 2 226.283 1.880 20 30 BDEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)C1CC1 ZINC000274244131 387466987 /nfs/dbraw/zinc/46/69/87/387466987.db2.gz YFIDDBYTNYZDOK-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)C1CC1 ZINC000274244131 387466990 /nfs/dbraw/zinc/46/69/90/387466990.db2.gz YFIDDBYTNYZDOK-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO C#C[C@@H](C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000274791060 387488664 /nfs/dbraw/zinc/48/86/64/387488664.db2.gz YLDJADFUHGLGTB-SECBINFHSA-N 1 2 233.319 1.495 20 30 BDEDLO C#C[C@@H](C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000274791060 387488669 /nfs/dbraw/zinc/48/86/69/387488669.db2.gz YLDJADFUHGLGTB-SECBINFHSA-N 1 2 233.319 1.495 20 30 BDEDLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000424128189 387604078 /nfs/dbraw/zinc/60/40/78/387604078.db2.gz QWJLTJAKHXLINB-GDPRMGEGSA-N 1 2 222.288 1.220 20 30 BDEDLO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324306 387626008 /nfs/dbraw/zinc/62/60/08/387626008.db2.gz SEGSNOMJRSRWQT-NWDGAFQWSA-N 1 2 239.363 1.629 20 30 BDEDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324306 387626012 /nfs/dbraw/zinc/62/60/12/387626012.db2.gz SEGSNOMJRSRWQT-NWDGAFQWSA-N 1 2 239.363 1.629 20 30 BDEDLO C=C(C)C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426203193 387548613 /nfs/dbraw/zinc/54/86/13/387548613.db2.gz YNORILCQMHBZJU-LBPRGKRZSA-N 1 2 224.348 1.751 20 30 BDEDLO C=C(C)C[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426203193 387548614 /nfs/dbraw/zinc/54/86/14/387548614.db2.gz YNORILCQMHBZJU-LBPRGKRZSA-N 1 2 224.348 1.751 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccncc2)nn1 ZINC000424142920 387742929 /nfs/dbraw/zinc/74/29/29/387742929.db2.gz QKCFCHKTSVYQEE-NSHDSACASA-N 1 2 243.314 1.710 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccoc2C)nn1 ZINC000424167901 387857839 /nfs/dbraw/zinc/85/78/39/387857839.db2.gz DQGGXFKMTSOXQG-UHFFFAOYSA-N 1 2 232.287 1.655 20 30 BDEDLO N#CCC[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000514668314 387912643 /nfs/dbraw/zinc/91/26/43/387912643.db2.gz DUCGBNWUTPZNNX-NSHDSACASA-N 1 2 229.283 1.295 20 30 BDEDLO CC#CC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245574698 387961243 /nfs/dbraw/zinc/96/12/43/387961243.db2.gz AOJFWIDWAUEZPE-HNNXBMFYSA-N 1 2 228.339 1.998 20 30 BDEDLO CC#CC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245574698 387961245 /nfs/dbraw/zinc/96/12/45/387961245.db2.gz AOJFWIDWAUEZPE-HNNXBMFYSA-N 1 2 228.339 1.998 20 30 BDEDLO C#CC[N@@H+](CC=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108866155 388053100 /nfs/dbraw/zinc/05/31/00/388053100.db2.gz YTPXUCNXJUGSHI-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CC=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108866155 388053104 /nfs/dbraw/zinc/05/31/04/388053104.db2.gz YTPXUCNXJUGSHI-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C=C(C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000456127497 388180992 /nfs/dbraw/zinc/18/09/92/388180992.db2.gz ZEOPNVCSXRNEFZ-UHFFFAOYSA-N 1 2 221.304 1.770 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1scnc1C ZINC000490925386 388260588 /nfs/dbraw/zinc/26/05/88/388260588.db2.gz VMIGRJZAGDVRSY-UHFFFAOYSA-N 1 2 218.325 1.910 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1scnc1C ZINC000490925386 388260589 /nfs/dbraw/zinc/26/05/89/388260589.db2.gz VMIGRJZAGDVRSY-UHFFFAOYSA-N 1 2 218.325 1.910 20 30 BDEDLO C=CCn1cccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000488973210 388199629 /nfs/dbraw/zinc/19/96/29/388199629.db2.gz VCUUUIFZZLZWTR-UHFFFAOYSA-N 1 2 230.271 1.327 20 30 BDEDLO C=CCn1cccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000488973210 388199632 /nfs/dbraw/zinc/19/96/32/388199632.db2.gz VCUUUIFZZLZWTR-UHFFFAOYSA-N 1 2 230.271 1.327 20 30 BDEDLO C#CC[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000491286712 388282382 /nfs/dbraw/zinc/28/23/82/388282382.db2.gz JFFRYHHKXLUJRA-VXGBXAGGSA-N 1 2 236.359 1.587 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000491298962 388283747 /nfs/dbraw/zinc/28/37/47/388283747.db2.gz XPFKACPFHHWTAW-LBPRGKRZSA-N 1 2 230.311 1.603 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000491298962 388283748 /nfs/dbraw/zinc/28/37/48/388283748.db2.gz XPFKACPFHHWTAW-LBPRGKRZSA-N 1 2 230.311 1.603 20 30 BDEDLO C=C(CC)C[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451742118 388292663 /nfs/dbraw/zinc/29/26/63/388292663.db2.gz FDQQREJQHJDIIM-UHFFFAOYSA-N 1 2 249.314 1.521 20 30 BDEDLO C=C(CC)C[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451742118 388292665 /nfs/dbraw/zinc/29/26/65/388292665.db2.gz FDQQREJQHJDIIM-UHFFFAOYSA-N 1 2 249.314 1.521 20 30 BDEDLO C#CCn1ccc(CN(CC)Cc2c[nH+]c[nH]2)n1 ZINC000491427315 388293819 /nfs/dbraw/zinc/29/38/19/388293819.db2.gz KGOOUKWCONQZDR-UHFFFAOYSA-N 1 2 243.314 1.262 20 30 BDEDLO C#CCn1ccc(CN(CC)Cc2c[nH]c[nH+]2)n1 ZINC000491427315 388293820 /nfs/dbraw/zinc/29/38/20/388293820.db2.gz KGOOUKWCONQZDR-UHFFFAOYSA-N 1 2 243.314 1.262 20 30 BDEDLO C#C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(C)C ZINC000491454107 388295262 /nfs/dbraw/zinc/29/52/62/388295262.db2.gz VXXYZNUQEPRCJS-NSHDSACASA-N 1 2 236.359 1.492 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000491465144 388296781 /nfs/dbraw/zinc/29/67/81/388296781.db2.gz VJJOEKIEPWHMBC-CMPLNLGQSA-N 1 2 234.343 1.544 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000491465144 388296782 /nfs/dbraw/zinc/29/67/82/388296782.db2.gz VJJOEKIEPWHMBC-CMPLNLGQSA-N 1 2 234.343 1.544 20 30 BDEDLO CC#CCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451829967 388299133 /nfs/dbraw/zinc/29/91/33/388299133.db2.gz JAQXCLCVCZDNNR-VIFPVBQESA-N 1 2 205.248 1.348 20 30 BDEDLO CC#CCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451829967 388299135 /nfs/dbraw/zinc/29/91/35/388299135.db2.gz JAQXCLCVCZDNNR-VIFPVBQESA-N 1 2 205.248 1.348 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000491647774 388307883 /nfs/dbraw/zinc/30/78/83/388307883.db2.gz ZMOUVGNPCWQHJD-LEWSCRJBSA-N 1 2 246.354 1.544 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000491647774 388307884 /nfs/dbraw/zinc/30/78/84/388307884.db2.gz ZMOUVGNPCWQHJD-LEWSCRJBSA-N 1 2 246.354 1.544 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccs1 ZINC000491657987 388308819 /nfs/dbraw/zinc/30/88/19/388308819.db2.gz AMCBNVOYGJDRAO-JTQLQIEISA-N 1 2 207.298 1.582 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccs1 ZINC000491657987 388308820 /nfs/dbraw/zinc/30/88/20/388308820.db2.gz AMCBNVOYGJDRAO-JTQLQIEISA-N 1 2 207.298 1.582 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)ncn1)C1CC1 ZINC000491699660 388312413 /nfs/dbraw/zinc/31/24/13/388312413.db2.gz FAMDQQQNHMSUJJ-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)ncn1)C1CC1 ZINC000491699660 388312414 /nfs/dbraw/zinc/31/24/14/388312414.db2.gz FAMDQQQNHMSUJJ-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000491715699 388314145 /nfs/dbraw/zinc/31/41/45/388314145.db2.gz QNONYKMPABFZPG-OLZOCXBDSA-N 1 2 223.316 1.280 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000491715699 388314146 /nfs/dbraw/zinc/31/41/46/388314146.db2.gz QNONYKMPABFZPG-OLZOCXBDSA-N 1 2 223.316 1.280 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000491739465 388316769 /nfs/dbraw/zinc/31/67/69/388316769.db2.gz DBTQOPHREAYFDB-UHFFFAOYSA-N 1 2 234.274 1.638 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000491739465 388316770 /nfs/dbraw/zinc/31/67/70/388316770.db2.gz DBTQOPHREAYFDB-UHFFFAOYSA-N 1 2 234.274 1.638 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC(CC)(CC)OC1=O ZINC000491772033 388319354 /nfs/dbraw/zinc/31/93/54/388319354.db2.gz PYVSUZDRKMKBNN-LLVKDONJSA-N 1 2 238.331 1.908 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC(CC)(CC)OC1=O ZINC000491772033 388319355 /nfs/dbraw/zinc/31/93/55/388319355.db2.gz PYVSUZDRKMKBNN-LLVKDONJSA-N 1 2 238.331 1.908 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(=O)c(OC)co1 ZINC000491776934 388319919 /nfs/dbraw/zinc/31/99/19/388319919.db2.gz FQPCXDWHPMOBRN-SECBINFHSA-N 1 2 221.256 1.102 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(=O)c(OC)co1 ZINC000491776934 388319920 /nfs/dbraw/zinc/31/99/20/388319920.db2.gz FQPCXDWHPMOBRN-SECBINFHSA-N 1 2 221.256 1.102 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000491782711 388320755 /nfs/dbraw/zinc/32/07/55/388320755.db2.gz ONUWFDVJMUJSFV-AWEZNQCLSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000491782711 388320756 /nfs/dbraw/zinc/32/07/56/388320756.db2.gz ONUWFDVJMUJSFV-AWEZNQCLSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@@H](NC(=O)/C=C/c1[nH+]ccn1CC)C(C)C ZINC000490962128 388262670 /nfs/dbraw/zinc/26/26/70/388262670.db2.gz MITSKTNLDFTWLZ-ABZNLYFFSA-N 1 2 245.326 1.690 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000491193486 388276435 /nfs/dbraw/zinc/27/64/35/388276435.db2.gz ZVJIQQDHPVSDRF-NSHDSACASA-N 1 2 231.299 1.735 20 30 BDEDLO C#CC[N@@H+](CC(=O)OCc1ccccc1)C1CC1 ZINC000491230528 388278705 /nfs/dbraw/zinc/27/87/05/388278705.db2.gz NGXLATYTKCQGGA-UHFFFAOYSA-N 1 2 243.306 1.827 20 30 BDEDLO C#CC[N@H+](CC(=O)OCc1ccccc1)C1CC1 ZINC000491230528 388278707 /nfs/dbraw/zinc/27/87/07/388278707.db2.gz NGXLATYTKCQGGA-UHFFFAOYSA-N 1 2 243.306 1.827 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492413671 388343902 /nfs/dbraw/zinc/34/39/02/388343902.db2.gz YJVSMHDCFIVWGI-MLRMMBSGSA-N 1 2 246.314 1.725 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)nc1 ZINC000556104636 388349452 /nfs/dbraw/zinc/34/94/52/388349452.db2.gz FOBGGSSKVIEYCZ-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)nc1 ZINC000556104636 388349456 /nfs/dbraw/zinc/34/94/56/388349456.db2.gz FOBGGSSKVIEYCZ-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO COCC1(O)C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459636275 388367025 /nfs/dbraw/zinc/36/70/25/388367025.db2.gz KHAHXACHIIUKRV-UHFFFAOYSA-N 1 2 246.310 1.060 20 30 BDEDLO C[C@H](c1nccc(N)n1)[NH+]1CCC(C)(C#N)CC1 ZINC000516083555 256764795 /nfs/dbraw/zinc/76/47/95/256764795.db2.gz XXVOUFLCJWKNQB-SNVBAGLBSA-N 1 2 245.330 1.576 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649216919 388459629 /nfs/dbraw/zinc/45/96/29/388459629.db2.gz KMPUSYCJVKYOTP-LLVKDONJSA-N 1 2 233.315 1.480 20 30 BDEDLO C=CCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000524811948 388410569 /nfs/dbraw/zinc/41/05/69/388410569.db2.gz VHTLKPFWRUPPFL-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO C=CCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000524811948 388410573 /nfs/dbraw/zinc/41/05/73/388410573.db2.gz VHTLKPFWRUPPFL-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO CC#CC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000135261614 388488297 /nfs/dbraw/zinc/48/82/97/388488297.db2.gz OSWFHFKFKYGMGF-LLVKDONJSA-N 1 2 241.298 1.336 20 30 BDEDLO CC[C@@]1(C)C[N@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000135600818 388502870 /nfs/dbraw/zinc/50/28/70/388502870.db2.gz FOSLRXZNLCSORY-STQMWFEESA-N 1 2 235.331 1.931 20 30 BDEDLO CC[C@@]1(C)C[N@@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000135600818 388502873 /nfs/dbraw/zinc/50/28/73/388502873.db2.gz FOSLRXZNLCSORY-STQMWFEESA-N 1 2 235.331 1.931 20 30 BDEDLO CC[C@]1(C)C[N@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000135600801 388503222 /nfs/dbraw/zinc/50/32/22/388503222.db2.gz FOSLRXZNLCSORY-QWHCGFSZSA-N 1 2 235.331 1.931 20 30 BDEDLO CC[C@]1(C)C[N@@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000135600801 388503224 /nfs/dbraw/zinc/50/32/24/388503224.db2.gz FOSLRXZNLCSORY-QWHCGFSZSA-N 1 2 235.331 1.931 20 30 BDEDLO Cc1ccc2[nH+]c(CN(C)CCC#N)cn2c1 ZINC000078645517 388508372 /nfs/dbraw/zinc/50/83/72/388508372.db2.gz YZQMPSJFTQLTBC-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+]CC1(C#N)CCC1 ZINC000516965886 388528816 /nfs/dbraw/zinc/52/88/16/388528816.db2.gz PTJOBUDFSQOWPP-LLVKDONJSA-N 1 2 216.288 1.713 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ncccc1O ZINC000517625597 388555595 /nfs/dbraw/zinc/55/55/95/388555595.db2.gz CSVISMVJYSWGCX-VIFPVBQESA-N 1 2 205.261 1.521 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ncccc1O ZINC000517625597 388555597 /nfs/dbraw/zinc/55/55/97/388555597.db2.gz CSVISMVJYSWGCX-VIFPVBQESA-N 1 2 205.261 1.521 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183827150 388571340 /nfs/dbraw/zinc/57/13/40/388571340.db2.gz CEKUFUISDHWBKV-JTQLQIEISA-N 1 2 221.304 1.671 20 30 BDEDLO Cc1c[nH+]ccc1CCNc1nccnc1C#N ZINC000301872054 388616268 /nfs/dbraw/zinc/61/62/68/388616268.db2.gz WZLUTBJWTNDFJZ-UHFFFAOYSA-N 1 2 239.282 1.706 20 30 BDEDLO C=CC[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185227255 388585519 /nfs/dbraw/zinc/58/55/19/388585519.db2.gz XNEZLBIOYDLZJG-CQSZACIVSA-N 1 2 215.362 1.796 20 30 BDEDLO C=CC[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185227255 388585520 /nfs/dbraw/zinc/58/55/20/388585520.db2.gz XNEZLBIOYDLZJG-CQSZACIVSA-N 1 2 215.362 1.796 20 30 BDEDLO Cc1ccc(NCCCn2cc[nH+]c2)nc1C#N ZINC000302729294 388625915 /nfs/dbraw/zinc/62/59/15/388625915.db2.gz UQQWHZPWSDHTLJ-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO Cn1cc[nH+]c1CNc1ncc(C#N)cc1Cl ZINC000358872079 388627312 /nfs/dbraw/zinc/62/73/12/388627312.db2.gz HAEHIVIBGANQOP-UHFFFAOYSA-N 1 2 247.689 1.952 20 30 BDEDLO C#CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191024760 388659186 /nfs/dbraw/zinc/65/91/86/388659186.db2.gz BQNRJMOUORMCSO-UHFFFAOYSA-N 1 2 239.278 1.578 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248813097 388694043 /nfs/dbraw/zinc/69/40/43/388694043.db2.gz CYKCBRZQHLLWHK-RWMBFGLXSA-N 1 2 236.359 1.492 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248813097 388694045 /nfs/dbraw/zinc/69/40/45/388694045.db2.gz CYKCBRZQHLLWHK-RWMBFGLXSA-N 1 2 236.359 1.492 20 30 BDEDLO Cc1[nH]nc(NCc2c[nH+]cn2C(C)C)c1C#N ZINC000424179109 388694918 /nfs/dbraw/zinc/69/49/18/388694918.db2.gz YGSCFBVXHQVXJB-UHFFFAOYSA-N 1 2 244.302 1.401 20 30 BDEDLO CCn1ncc(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000527736964 388699853 /nfs/dbraw/zinc/69/98/53/388699853.db2.gz SNRROGIRWMNKOT-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO Cc1noc(C)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000552494645 388716770 /nfs/dbraw/zinc/71/67/70/388716770.db2.gz AGFWUQGHJLRNJG-NSHDSACASA-N 1 2 232.287 1.825 20 30 BDEDLO COc1cc[nH+]cc1CNc1cccc(C#N)n1 ZINC000431435596 388730843 /nfs/dbraw/zinc/73/08/43/388730843.db2.gz ZGBMWDDBTACDKH-UHFFFAOYSA-N 1 2 240.266 1.969 20 30 BDEDLO N#CC1(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000523159317 388804947 /nfs/dbraw/zinc/80/49/47/388804947.db2.gz WLMLDDFIVOAJKH-UHFFFAOYSA-N 1 2 240.266 1.049 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000565483776 388949201 /nfs/dbraw/zinc/94/92/01/388949201.db2.gz OUUILGBNCFFGCH-QWRGUYRKSA-N 1 2 244.360 1.188 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000565483776 388949203 /nfs/dbraw/zinc/94/92/03/388949203.db2.gz OUUILGBNCFFGCH-QWRGUYRKSA-N 1 2 244.360 1.188 20 30 BDEDLO C=C(Cl)C[S@](=O)Cc1c[nH+]cn1C ZINC000268190054 389002407 /nfs/dbraw/zinc/00/24/07/389002407.db2.gz VWQIAQMJHDYFCS-ZDUSSCGKSA-N 1 2 218.709 1.421 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000114712485 533504953 /nfs/dbraw/zinc/50/49/53/533504953.db2.gz UNLCIEVBYMIYEI-UHFFFAOYSA-N 1 2 246.314 1.421 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000114712485 533504958 /nfs/dbraw/zinc/50/49/58/533504958.db2.gz UNLCIEVBYMIYEI-UHFFFAOYSA-N 1 2 246.314 1.421 20 30 BDEDLO Cc1ccc(C#N)c(N2CCn3c[nH+]cc3C2)n1 ZINC000290627420 132217161 /nfs/dbraw/zinc/21/71/61/132217161.db2.gz GVLRLMSCGMNSMG-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO N#Cc1ccncc1N1CCn2c[nH+]cc2C1 ZINC000290786591 132217294 /nfs/dbraw/zinc/21/72/94/132217294.db2.gz XAXILHKBRXAKLR-UHFFFAOYSA-N 1 2 225.255 1.170 20 30 BDEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000331383326 134000314 /nfs/dbraw/zinc/00/03/14/134000314.db2.gz KCHNFGHJMOLNJC-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000331383326 134000315 /nfs/dbraw/zinc/00/03/15/134000315.db2.gz KCHNFGHJMOLNJC-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO C[C@H](C#N)CN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000331689972 134000847 /nfs/dbraw/zinc/00/08/47/134000847.db2.gz SLOGIUZSLXCNQB-SNVBAGLBSA-N 1 2 246.314 1.493 20 30 BDEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1CC1(C#N)CC1 ZINC000351992102 134031570 /nfs/dbraw/zinc/03/15/70/134031570.db2.gz BLKGRZMRIFHJPT-OLZOCXBDSA-N 1 2 249.358 1.085 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336025321 134056679 /nfs/dbraw/zinc/05/66/79/134056679.db2.gz GYOTWWQQSDTNIP-BDAKNGLRSA-N 1 2 234.303 1.141 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336025321 134056680 /nfs/dbraw/zinc/05/66/80/134056680.db2.gz GYOTWWQQSDTNIP-BDAKNGLRSA-N 1 2 234.303 1.141 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000352146070 134081985 /nfs/dbraw/zinc/08/19/85/134081985.db2.gz CVWFEELPTBYQOV-JTQLQIEISA-N 1 2 234.303 1.350 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000336384074 134145716 /nfs/dbraw/zinc/14/57/16/134145716.db2.gz IAPCSSNJIVQPJV-QWRGUYRKSA-N 1 2 246.314 1.064 20 30 BDEDLO COc1ccnc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352468857 134146439 /nfs/dbraw/zinc/14/64/39/134146439.db2.gz VMWPHZBDDCRFPW-UHFFFAOYSA-N 1 2 249.289 1.918 20 30 BDEDLO COc1cc[nH+]c(CN2CCC(F)(C#N)CC2)c1 ZINC000352468857 134146440 /nfs/dbraw/zinc/14/64/40/134146440.db2.gz VMWPHZBDDCRFPW-UHFFFAOYSA-N 1 2 249.289 1.918 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336436133 134147232 /nfs/dbraw/zinc/14/72/32/134147232.db2.gz CSBUWGYDUUWVNK-NOZJJQNGSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336436133 134147233 /nfs/dbraw/zinc/14/72/33/134147233.db2.gz CSBUWGYDUUWVNK-NOZJJQNGSA-N 1 2 246.314 1.323 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnnn1C ZINC000352701190 134151268 /nfs/dbraw/zinc/15/12/68/134151268.db2.gz FYZAOFMSDQRVNW-UHFFFAOYSA-N 1 2 247.302 1.034 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)Cc1nnnn1C ZINC000352701190 134151269 /nfs/dbraw/zinc/15/12/69/134151269.db2.gz FYZAOFMSDQRVNW-UHFFFAOYSA-N 1 2 247.302 1.034 20 30 BDEDLO Cc1nccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000354033715 134165742 /nfs/dbraw/zinc/16/57/42/134165742.db2.gz AAZWLNIDWAASNN-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1nccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000354033715 134165743 /nfs/dbraw/zinc/16/57/43/134165743.db2.gz AAZWLNIDWAASNN-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354032669 134166338 /nfs/dbraw/zinc/16/63/38/134166338.db2.gz CTRWINJEZUJIFK-VIFPVBQESA-N 1 2 218.304 1.842 20 30 BDEDLO Cc1n[nH]cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354032669 134166339 /nfs/dbraw/zinc/16/63/39/134166339.db2.gz CTRWINJEZUJIFK-VIFPVBQESA-N 1 2 218.304 1.842 20 30 BDEDLO CNC(=O)c1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000355846058 134175479 /nfs/dbraw/zinc/17/54/79/134175479.db2.gz MMVLDLKTRQUQAR-NSHDSACASA-N 1 2 245.326 1.638 20 30 BDEDLO CNC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000355846058 134175480 /nfs/dbraw/zinc/17/54/80/134175480.db2.gz MMVLDLKTRQUQAR-NSHDSACASA-N 1 2 245.326 1.638 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358388505 134187828 /nfs/dbraw/zinc/18/78/28/134187828.db2.gz DVCGODCDBZBSRE-GHMZBOCLSA-N 1 2 247.342 1.986 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358388505 134187829 /nfs/dbraw/zinc/18/78/29/134187829.db2.gz DVCGODCDBZBSRE-GHMZBOCLSA-N 1 2 247.342 1.986 20 30 BDEDLO N#CCc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000358585411 134190529 /nfs/dbraw/zinc/19/05/29/134190529.db2.gz HRZLQGBPKOQSPD-UHFFFAOYSA-N 1 2 240.266 1.406 20 30 BDEDLO N#CCc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000358585411 134190530 /nfs/dbraw/zinc/19/05/30/134190530.db2.gz HRZLQGBPKOQSPD-UHFFFAOYSA-N 1 2 240.266 1.406 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000362371470 134210427 /nfs/dbraw/zinc/21/04/27/134210427.db2.gz RPZGFCWXCBBFDC-SNVBAGLBSA-N 1 2 234.303 1.367 20 30 BDEDLO N#CCC[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368994038 134221132 /nfs/dbraw/zinc/22/11/32/134221132.db2.gz XHWYCPKSBSFRKB-DCAQKATOSA-N 1 2 221.304 1.018 20 30 BDEDLO N#CCC[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368994038 134221133 /nfs/dbraw/zinc/22/11/33/134221133.db2.gz XHWYCPKSBSFRKB-DCAQKATOSA-N 1 2 221.304 1.018 20 30 BDEDLO N#C[C@H]1C[N@H+](CC2CCOCC2)CCN1C1CC1 ZINC000369232648 134221815 /nfs/dbraw/zinc/22/18/15/134221815.db2.gz WPJZHPSAYDDLCL-AWEZNQCLSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@H]1C[N@@H+](CC2CCOCC2)CCN1C1CC1 ZINC000369232648 134221816 /nfs/dbraw/zinc/22/18/16/134221816.db2.gz WPJZHPSAYDDLCL-AWEZNQCLSA-N 1 2 249.358 1.085 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000378438885 134245750 /nfs/dbraw/zinc/24/57/50/134245750.db2.gz LGPVYUQJXKKORB-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000378438885 134245751 /nfs/dbraw/zinc/24/57/51/134245751.db2.gz LGPVYUQJXKKORB-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000172991028 134271992 /nfs/dbraw/zinc/27/19/92/134271992.db2.gz WYNWZAKDIQOCCA-SNVBAGLBSA-N 1 2 237.303 1.050 20 30 BDEDLO N#C[C@H]1COCCN1Cc1cn2ccccc2[nH+]1 ZINC000177111081 134295580 /nfs/dbraw/zinc/29/55/80/134295580.db2.gz MTKOENYNRJPHFI-LBPRGKRZSA-N 1 2 242.282 1.059 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000177786626 134299764 /nfs/dbraw/zinc/29/97/64/134299764.db2.gz KJLSAOGNVOOHDT-UHFFFAOYSA-N 1 2 242.238 1.542 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000181265642 134334588 /nfs/dbraw/zinc/33/45/88/134334588.db2.gz ZCKZVWNCUIEJDQ-UHFFFAOYSA-N 1 2 221.304 1.753 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000181265642 134334589 /nfs/dbraw/zinc/33/45/89/134334589.db2.gz ZCKZVWNCUIEJDQ-UHFFFAOYSA-N 1 2 221.304 1.753 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000121425069 134643917 /nfs/dbraw/zinc/64/39/17/134643917.db2.gz XCHQLDULENMRCK-JTQLQIEISA-N 1 2 246.270 1.146 20 30 BDEDLO C=CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000337589990 135020367 /nfs/dbraw/zinc/02/03/67/135020367.db2.gz HOFGKTHJOYEXPJ-LLVKDONJSA-N 1 2 248.330 1.554 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOCCC#N ZINC000339023256 135053404 /nfs/dbraw/zinc/05/34/04/135053404.db2.gz QEORZYJRMASENW-LLVKDONJSA-N 1 2 242.319 1.189 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOCCC#N ZINC000339023256 135053405 /nfs/dbraw/zinc/05/34/05/135053405.db2.gz QEORZYJRMASENW-LLVKDONJSA-N 1 2 242.319 1.189 20 30 BDEDLO C=CCOCC[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000339192548 135065310 /nfs/dbraw/zinc/06/53/10/135065310.db2.gz SIFIXFKKXDIYIS-MQIPJXDCSA-N 1 2 245.388 1.420 20 30 BDEDLO C=CCOCC[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000339192548 135065312 /nfs/dbraw/zinc/06/53/12/135065312.db2.gz SIFIXFKKXDIYIS-MQIPJXDCSA-N 1 2 245.388 1.420 20 30 BDEDLO N#CCCOCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000339196082 135066577 /nfs/dbraw/zinc/06/65/77/135066577.db2.gz SIBWIKSMWFERGZ-SNVBAGLBSA-N 1 2 248.273 1.273 20 30 BDEDLO N#CCCOCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000339196082 135066579 /nfs/dbraw/zinc/06/65/79/135066579.db2.gz SIBWIKSMWFERGZ-SNVBAGLBSA-N 1 2 248.273 1.273 20 30 BDEDLO CN(CC#N)CCc1[nH+]c2ccccc2n1C ZINC000265485490 135145190 /nfs/dbraw/zinc/14/51/90/135145190.db2.gz IWELPGMARYXKDR-UHFFFAOYSA-N 1 2 228.299 1.571 20 30 BDEDLO N#CCC[N@@H+](CCCCO)Cc1ccccn1 ZINC000267348558 135153183 /nfs/dbraw/zinc/15/31/83/135153183.db2.gz APLXOECYPGSDOB-UHFFFAOYSA-N 1 2 233.315 1.570 20 30 BDEDLO N#CCC[N@H+](CCCCO)Cc1ccccn1 ZINC000267348558 135153184 /nfs/dbraw/zinc/15/31/84/135153184.db2.gz APLXOECYPGSDOB-UHFFFAOYSA-N 1 2 233.315 1.570 20 30 BDEDLO CC[N@H+](CCC(C)(C)C#N)CC(=O)OC ZINC000087594763 135159181 /nfs/dbraw/zinc/15/91/81/135159181.db2.gz RZXYTQDRVJAFIM-UHFFFAOYSA-N 1 2 212.293 1.421 20 30 BDEDLO CC[N@@H+](CCC(C)(C)C#N)CC(=O)OC ZINC000087594763 135159183 /nfs/dbraw/zinc/15/91/83/135159183.db2.gz RZXYTQDRVJAFIM-UHFFFAOYSA-N 1 2 212.293 1.421 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(OC)cc(C)n1 ZINC000298055963 135197414 /nfs/dbraw/zinc/19/74/14/135197414.db2.gz FVOFSXPASACBGW-UHFFFAOYSA-N 1 2 218.300 1.854 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(OC)cc(C)n1 ZINC000298055963 135197415 /nfs/dbraw/zinc/19/74/15/135197415.db2.gz FVOFSXPASACBGW-UHFFFAOYSA-N 1 2 218.300 1.854 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000299154620 135202004 /nfs/dbraw/zinc/20/20/04/135202004.db2.gz HHBONKJZQOLBRS-GXFFZTMASA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000299154620 135202006 /nfs/dbraw/zinc/20/20/06/135202006.db2.gz HHBONKJZQOLBRS-GXFFZTMASA-N 1 2 236.290 1.951 20 30 BDEDLO Oc1cccc(/C=[NH+]/CC2CCOCC2)c1O ZINC000299489896 135204364 /nfs/dbraw/zinc/20/43/64/135204364.db2.gz FYMCAHPWOOWSMO-NTEUORMPSA-N 1 2 235.283 1.943 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000121302864 135222085 /nfs/dbraw/zinc/22/20/85/135222085.db2.gz DGHYTLCBIPQQBH-UHFFFAOYSA-N 1 2 247.298 1.824 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000121302864 135222087 /nfs/dbraw/zinc/22/20/87/135222087.db2.gz DGHYTLCBIPQQBH-UHFFFAOYSA-N 1 2 247.298 1.824 20 30 BDEDLO C=CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000121293024 135222602 /nfs/dbraw/zinc/22/26/02/135222602.db2.gz GZPMSKDPQNPYTE-UHFFFAOYSA-N 1 2 238.312 1.350 20 30 BDEDLO C[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341685953 135241750 /nfs/dbraw/zinc/24/17/50/135241750.db2.gz DZDRPLYIBDMFHZ-SCZZXKLOSA-N 1 2 232.287 1.147 20 30 BDEDLO C=CC[N@H+](CC(=O)NCC#N)Cc1cccs1 ZINC000342208735 135252983 /nfs/dbraw/zinc/25/29/83/135252983.db2.gz MQIRGZLZRCWQRO-UHFFFAOYSA-N 1 2 249.339 1.376 20 30 BDEDLO C=CC[N@@H+](CC(=O)NCC#N)Cc1cccs1 ZINC000342208735 135252984 /nfs/dbraw/zinc/25/29/84/135252984.db2.gz MQIRGZLZRCWQRO-UHFFFAOYSA-N 1 2 249.339 1.376 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000342476994 135278272 /nfs/dbraw/zinc/27/82/72/135278272.db2.gz FVTZQTMWQPYGGG-RWMBFGLXSA-N 1 2 237.347 1.084 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000342476994 135278273 /nfs/dbraw/zinc/27/82/73/135278273.db2.gz FVTZQTMWQPYGGG-RWMBFGLXSA-N 1 2 237.347 1.084 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000334308108 135350081 /nfs/dbraw/zinc/35/00/81/135350081.db2.gz FFZKJJMWACVYSP-QWRGUYRKSA-N 1 2 206.289 1.543 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000334308108 135350083 /nfs/dbraw/zinc/35/00/83/135350083.db2.gz FFZKJJMWACVYSP-QWRGUYRKSA-N 1 2 206.289 1.543 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)CC#N)cn1C ZINC000347772824 136008932 /nfs/dbraw/zinc/00/89/32/136008932.db2.gz KDWZPURAOIVPNP-JTQLQIEISA-N 1 2 249.314 1.546 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)CC#N)cn1C ZINC000347772824 136008933 /nfs/dbraw/zinc/00/89/33/136008933.db2.gz KDWZPURAOIVPNP-JTQLQIEISA-N 1 2 249.314 1.546 20 30 BDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC1(C#N)CC1)CCO2 ZINC000348225683 136048406 /nfs/dbraw/zinc/04/84/06/136048406.db2.gz HGZPOXVYTZYYHO-WCQYABFASA-N 1 2 236.315 1.170 20 30 BDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC1(C#N)CC1)CCO2 ZINC000348225683 136048407 /nfs/dbraw/zinc/04/84/07/136048407.db2.gz HGZPOXVYTZYYHO-WCQYABFASA-N 1 2 236.315 1.170 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000335332277 136054297 /nfs/dbraw/zinc/05/42/97/136054297.db2.gz IWTPHQLXLDNTFG-NSHDSACASA-N 1 2 219.288 1.450 20 30 BDEDLO Cc1nnc(C[N@@H+]2CCC[C@H](CC#N)C2)n1C ZINC000595611883 397992169 /nfs/dbraw/zinc/99/21/69/397992169.db2.gz OKOZIDPSKWCBRU-LLVKDONJSA-N 1 2 233.319 1.249 20 30 BDEDLO Cc1nnc(C[N@H+]2CCC[C@H](CC#N)C2)n1C ZINC000595611883 397992171 /nfs/dbraw/zinc/99/21/71/397992171.db2.gz OKOZIDPSKWCBRU-LLVKDONJSA-N 1 2 233.319 1.249 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)nn1 ZINC000341583098 398003808 /nfs/dbraw/zinc/00/38/08/398003808.db2.gz JZTUTVSUPYVRON-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)nn1 ZINC000341583098 398003812 /nfs/dbraw/zinc/00/38/12/398003812.db2.gz JZTUTVSUPYVRON-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597194290 398011453 /nfs/dbraw/zinc/01/14/53/398011453.db2.gz QWZHHSGGCWIVJX-UHFFFAOYSA-N 1 2 231.255 1.940 20 30 BDEDLO Cc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)c(C)c[nH+]1 ZINC000582826387 398051083 /nfs/dbraw/zinc/05/10/83/398051083.db2.gz UNUDEADSTQHFQL-NOZJJQNGSA-N 1 2 229.283 1.609 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000491667060 398056734 /nfs/dbraw/zinc/05/67/34/398056734.db2.gz WZSRJXDBLGUZGL-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000491667060 398056739 /nfs/dbraw/zinc/05/67/39/398056739.db2.gz WZSRJXDBLGUZGL-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000491667059 398056769 /nfs/dbraw/zinc/05/67/69/398056769.db2.gz WZSRJXDBLGUZGL-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000491667059 398056771 /nfs/dbraw/zinc/05/67/71/398056771.db2.gz WZSRJXDBLGUZGL-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1F)C(C)(C)C(N)=O ZINC000295512151 398113396 /nfs/dbraw/zinc/11/33/96/398113396.db2.gz UCJRLTHCNOXRMR-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1F)C(C)(C)C(N)=O ZINC000295512151 398113399 /nfs/dbraw/zinc/11/33/99/398113399.db2.gz UCJRLTHCNOXRMR-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1csc(C(C)C)n1 ZINC000308888327 487572131 /nfs/dbraw/zinc/57/21/31/487572131.db2.gz WRBRHBHVPNMWDN-SECBINFHSA-N 1 2 226.345 1.903 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(CC)o1 ZINC000279371701 166110230 /nfs/dbraw/zinc/11/02/30/166110230.db2.gz XCLHCIOTVDHLRU-UHFFFAOYSA-N 1 2 207.277 1.476 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(CC)o1 ZINC000279371701 166110234 /nfs/dbraw/zinc/11/02/34/166110234.db2.gz XCLHCIOTVDHLRU-UHFFFAOYSA-N 1 2 207.277 1.476 20 30 BDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC000279153466 166111984 /nfs/dbraw/zinc/11/19/84/166111984.db2.gz APXBPMPPSPBJHN-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC000279153466 166111987 /nfs/dbraw/zinc/11/19/87/166111987.db2.gz APXBPMPPSPBJHN-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274317858 166115679 /nfs/dbraw/zinc/11/56/79/166115679.db2.gz ZXXXOLFCQJSANT-LLVKDONJSA-N 1 2 233.315 1.437 20 30 BDEDLO C#CCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000271022812 166148885 /nfs/dbraw/zinc/14/88/85/166148885.db2.gz BOEJKFJDTINJLK-UHFFFAOYSA-N 1 2 233.319 1.496 20 30 BDEDLO C#CCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000271022812 166148886 /nfs/dbraw/zinc/14/88/86/166148886.db2.gz BOEJKFJDTINJLK-UHFFFAOYSA-N 1 2 233.319 1.496 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(CC)o1 ZINC000490778893 487595812 /nfs/dbraw/zinc/59/58/12/487595812.db2.gz NZPDPXBRLIQXIB-SECBINFHSA-N 1 2 207.277 1.648 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(CC)o1 ZINC000490778893 487595817 /nfs/dbraw/zinc/59/58/17/487595817.db2.gz NZPDPXBRLIQXIB-SECBINFHSA-N 1 2 207.277 1.648 20 30 BDEDLO Cc1cc(C[NH+]2CCN(CC#N)CC2)ccc1F ZINC000092936261 410102228 /nfs/dbraw/zinc/10/22/28/410102228.db2.gz JXBPSYDCWWAUIU-UHFFFAOYSA-N 1 2 247.317 1.775 20 30 BDEDLO C=CC[N@H+](Cc1ncc(C)cn1)[C@@H](C)COC ZINC000661240393 410399831 /nfs/dbraw/zinc/39/98/31/410399831.db2.gz NXUPJYFKDOWNDS-LBPRGKRZSA-N 1 2 235.331 1.808 20 30 BDEDLO C=CC[N@@H+](Cc1ncc(C)cn1)[C@@H](C)COC ZINC000661240393 410399836 /nfs/dbraw/zinc/39/98/36/410399836.db2.gz NXUPJYFKDOWNDS-LBPRGKRZSA-N 1 2 235.331 1.808 20 30 BDEDLO C=CC[N@H+](Cc1snnc1C)[C@H](C)COC ZINC000661240015 410400111 /nfs/dbraw/zinc/40/01/11/410400111.db2.gz KKBTWZWRVPSUAX-SECBINFHSA-N 1 2 241.360 1.869 20 30 BDEDLO C=CC[N@@H+](Cc1snnc1C)[C@H](C)COC ZINC000661240015 410400115 /nfs/dbraw/zinc/40/01/15/410400115.db2.gz KKBTWZWRVPSUAX-SECBINFHSA-N 1 2 241.360 1.869 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccco1)C1CC1 ZINC000274131937 166163454 /nfs/dbraw/zinc/16/34/54/166163454.db2.gz ILLDFENPJXKUBL-UHFFFAOYSA-N 1 2 246.310 1.336 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccco1)C1CC1 ZINC000274131937 166163456 /nfs/dbraw/zinc/16/34/56/166163456.db2.gz ILLDFENPJXKUBL-UHFFFAOYSA-N 1 2 246.310 1.336 20 30 BDEDLO C#CCOc1ccccc1C[NH+]1CC(OCC)C1 ZINC000297341251 166200431 /nfs/dbraw/zinc/20/04/31/166200431.db2.gz FCOSVEJAVCHTRE-UHFFFAOYSA-N 1 2 245.322 1.919 20 30 BDEDLO C=CCCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000279692963 166239041 /nfs/dbraw/zinc/23/90/41/166239041.db2.gz AXRYNPALGAINQY-LLVKDONJSA-N 1 2 236.319 1.537 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nc(COC)no1 ZINC000276081680 166258777 /nfs/dbraw/zinc/25/87/77/166258777.db2.gz AXENMVKQQZZHIG-UHFFFAOYSA-N 1 2 211.265 1.224 20 30 BDEDLO C=CCC[N@H+](C)Cc1nc(COC)no1 ZINC000276081680 166258779 /nfs/dbraw/zinc/25/87/79/166258779.db2.gz AXENMVKQQZZHIG-UHFFFAOYSA-N 1 2 211.265 1.224 20 30 BDEDLO C=CCC[N@@H+](C)[C@@H](C(=O)OC)c1cccnc1 ZINC000276511955 166258998 /nfs/dbraw/zinc/25/89/98/166258998.db2.gz XTKSJIKBCFJELV-GFCCVEGCSA-N 1 2 234.299 1.804 20 30 BDEDLO C=CCC[N@H+](C)[C@@H](C(=O)OC)c1cccnc1 ZINC000276511955 166259002 /nfs/dbraw/zinc/25/90/02/166259002.db2.gz XTKSJIKBCFJELV-GFCCVEGCSA-N 1 2 234.299 1.804 20 30 BDEDLO C=CCN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000154929277 166315326 /nfs/dbraw/zinc/31/53/26/166315326.db2.gz PNYMRLPHXLTGIK-UHFFFAOYSA-N 1 2 248.330 1.711 20 30 BDEDLO C=CC[N@H+](CC(=O)Nc1nccs1)C1CC1 ZINC000271356307 166325507 /nfs/dbraw/zinc/32/55/07/166325507.db2.gz DYGKUKBKECPRRV-UHFFFAOYSA-N 1 2 237.328 1.732 20 30 BDEDLO C=CC[N@@H+](CC(=O)Nc1nccs1)C1CC1 ZINC000271356307 166325510 /nfs/dbraw/zinc/32/55/10/166325510.db2.gz DYGKUKBKECPRRV-UHFFFAOYSA-N 1 2 237.328 1.732 20 30 BDEDLO C=CC[N@@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000271335105 166326904 /nfs/dbraw/zinc/32/69/04/166326904.db2.gz BDCIWFQQKWGMQA-UHFFFAOYSA-N 1 2 211.305 1.979 20 30 BDEDLO C=CC[N@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000271335105 166326906 /nfs/dbraw/zinc/32/69/06/166326906.db2.gz BDCIWFQQKWGMQA-UHFFFAOYSA-N 1 2 211.305 1.979 20 30 BDEDLO C=CCN(CC=C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279257848 166328562 /nfs/dbraw/zinc/32/85/62/166328562.db2.gz UOYMRUGTZFBOSN-UHFFFAOYSA-N 1 2 219.288 1.543 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000192223175 411061393 /nfs/dbraw/zinc/06/13/93/411061393.db2.gz MZXSYHJIFGJBLC-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000192223175 411061395 /nfs/dbraw/zinc/06/13/95/411061395.db2.gz MZXSYHJIFGJBLC-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000192223027 411062865 /nfs/dbraw/zinc/06/28/65/411062865.db2.gz KIUSMGPIOJECCB-UHFFFAOYSA-N 1 2 235.258 1.799 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000192223027 411062869 /nfs/dbraw/zinc/06/28/69/411062869.db2.gz KIUSMGPIOJECCB-UHFFFAOYSA-N 1 2 235.258 1.799 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000192226850 411186082 /nfs/dbraw/zinc/18/60/82/411186082.db2.gz GUXIFGREWIOPPW-UHFFFAOYSA-N 1 2 233.296 1.863 20 30 BDEDLO C#CC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000192226850 411186086 /nfs/dbraw/zinc/18/60/86/411186086.db2.gz GUXIFGREWIOPPW-UHFFFAOYSA-N 1 2 233.296 1.863 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000192230273 411186257 /nfs/dbraw/zinc/18/62/57/411186257.db2.gz IXHZICHYPZEAJI-JTQLQIEISA-N 1 2 234.274 1.718 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000192230273 411186261 /nfs/dbraw/zinc/18/62/61/411186261.db2.gz IXHZICHYPZEAJI-JTQLQIEISA-N 1 2 234.274 1.718 20 30 BDEDLO C=CCCN(C)c1nc[nH+]c(C)c1OC ZINC000656180886 411193693 /nfs/dbraw/zinc/19/36/93/411193693.db2.gz QALOUXVREKXREK-UHFFFAOYSA-N 1 2 207.277 1.806 20 30 BDEDLO CC#CC[NH2+]Cc1cn(C2CCCC2)nn1 ZINC000656463993 411271839 /nfs/dbraw/zinc/27/18/39/411271839.db2.gz RJOSMJVDDFPIHV-UHFFFAOYSA-N 1 2 218.304 1.506 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nnc(C2CC2)s1 ZINC000662168444 411372295 /nfs/dbraw/zinc/37/22/95/411372295.db2.gz GWSNKYNXLQLJLH-MRVPVSSYSA-N 1 2 225.317 1.052 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000491294563 411392543 /nfs/dbraw/zinc/39/25/43/411392543.db2.gz CBZBRNQZEOSRCU-UONOGXRCSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000491294563 411392545 /nfs/dbraw/zinc/39/25/45/411392545.db2.gz CBZBRNQZEOSRCU-UONOGXRCSA-N 1 2 237.343 1.262 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCC1CCCCC1)C1CC1 ZINC000491661929 411395234 /nfs/dbraw/zinc/39/52/34/411395234.db2.gz QHVTULUCMLXFKF-UHFFFAOYSA-N 1 2 248.370 1.781 20 30 BDEDLO C#CC[N@H+](CC(=O)NCC1CCCCC1)C1CC1 ZINC000491661929 411395237 /nfs/dbraw/zinc/39/52/37/411395237.db2.gz QHVTULUCMLXFKF-UHFFFAOYSA-N 1 2 248.370 1.781 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)[C@H]2CCOC2)nn1 ZINC000653554519 411420599 /nfs/dbraw/zinc/42/05/99/411420599.db2.gz IHBJTNLBBWWIJJ-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)[C@H]2CCOC2)nn1 ZINC000653554519 411420601 /nfs/dbraw/zinc/42/06/01/411420601.db2.gz IHBJTNLBBWWIJJ-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)no2)nn1 ZINC000657348079 411475136 /nfs/dbraw/zinc/47/51/36/411475136.db2.gz JULHARXAGLAPQS-UHFFFAOYSA-N 1 2 247.302 1.440 20 30 BDEDLO CCOC(=O)[C@@H](CC)[NH+]1CCC(F)(C#N)CC1 ZINC000352484162 170249837 /nfs/dbraw/zinc/24/98/37/170249837.db2.gz MGKGCNZLZPKGTB-SNVBAGLBSA-N 1 2 242.294 1.656 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000059639067 170265916 /nfs/dbraw/zinc/26/59/16/170265916.db2.gz DTVZSSGDAWAOEA-NSHDSACASA-N 1 2 246.310 1.942 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000059639067 170265917 /nfs/dbraw/zinc/26/59/17/170265917.db2.gz DTVZSSGDAWAOEA-NSHDSACASA-N 1 2 246.310 1.942 20 30 BDEDLO CCOCC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356430927 170391329 /nfs/dbraw/zinc/39/13/29/170391329.db2.gz DBTFYIGEBRLPNU-UHFFFAOYSA-N 1 2 225.317 1.483 20 30 BDEDLO CCOCC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356430927 170391331 /nfs/dbraw/zinc/39/13/31/170391331.db2.gz DBTFYIGEBRLPNU-UHFFFAOYSA-N 1 2 225.317 1.483 20 30 BDEDLO CC#CCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000664704289 412012869 /nfs/dbraw/zinc/01/28/69/412012869.db2.gz TXMQVXIYUKVUJL-JTQLQIEISA-N 1 2 234.303 1.194 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000042449473 171331791 /nfs/dbraw/zinc/33/17/91/171331791.db2.gz WIBQWDPWBRWKTP-SDDRHHMPSA-N 1 2 239.363 1.771 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449473 171331793 /nfs/dbraw/zinc/33/17/93/171331793.db2.gz WIBQWDPWBRWKTP-SDDRHHMPSA-N 1 2 239.363 1.771 20 30 BDEDLO C[NH+]1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000261183460 173095451 /nfs/dbraw/zinc/09/54/51/173095451.db2.gz GFSXSDKZELUIDW-UHFFFAOYSA-N 1 2 242.735 1.420 20 30 BDEDLO COc1cc[nH+]cc1COc1cccnc1C#N ZINC000341361491 175373507 /nfs/dbraw/zinc/37/35/07/175373507.db2.gz PGJYXEACEDXOPM-UHFFFAOYSA-N 1 2 241.250 1.936 20 30 BDEDLO C[C@@H]1C[NH+](Cc2cc(C#N)n(C)c2)C[C@@H](C)O1 ZINC000191151942 176301332 /nfs/dbraw/zinc/30/13/32/176301332.db2.gz HMTNCDUSWJARNQ-GHMZBOCLSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](CO)O1 ZINC000229962592 176304186 /nfs/dbraw/zinc/30/41/86/176304186.db2.gz UIJMNNOJJRWVGU-RISCZKNCSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](CO)O1 ZINC000229962592 176304188 /nfs/dbraw/zinc/30/41/88/176304188.db2.gz UIJMNNOJJRWVGU-RISCZKNCSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CO)C1 ZINC000275588709 177035445 /nfs/dbraw/zinc/03/54/45/177035445.db2.gz JPSFBOAYISMJAI-RISCZKNCSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CO)C1 ZINC000275588709 177035446 /nfs/dbraw/zinc/03/54/46/177035446.db2.gz JPSFBOAYISMJAI-RISCZKNCSA-N 1 2 246.310 1.312 20 30 BDEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)CC#N)[nH]1 ZINC000272723709 487648423 /nfs/dbraw/zinc/64/84/23/487648423.db2.gz FYPLDYSLTDINNM-VIFPVBQESA-N 1 2 235.287 1.535 20 30 BDEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)[nH]1 ZINC000272723709 487648429 /nfs/dbraw/zinc/64/84/29/487648429.db2.gz FYPLDYSLTDINNM-VIFPVBQESA-N 1 2 235.287 1.535 20 30 BDEDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1(C#N)CCC1 ZINC000493449562 226219401 /nfs/dbraw/zinc/21/94/01/226219401.db2.gz KKEYMMPVZDVWAR-ARJAWSKDSA-N 1 2 230.271 1.328 20 30 BDEDLO Cc1cc(NCCOCC2CC2)c(C#N)c[nH+]1 ZINC000399356336 267300376 /nfs/dbraw/zinc/30/03/76/267300376.db2.gz FXFRKFIRAIGIBQ-UHFFFAOYSA-N 1 2 231.299 1.522 20 30 BDEDLO Cc1cc(N(C)C[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000398869004 267333731 /nfs/dbraw/zinc/33/37/31/267333731.db2.gz OQYFYCKDPZCJBX-LLVKDONJSA-N 1 2 231.299 1.734 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C(=O)OC ZINC000839170119 585096239 /nfs/dbraw/zinc/09/62/39/585096239.db2.gz XNQQBXKWZBCVNT-MXWKQRLJSA-N 1 2 209.289 1.330 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668941809 487790222 /nfs/dbraw/zinc/79/02/22/487790222.db2.gz SXDGBWSJGRTGSK-VXGBXAGGSA-N 1 2 247.342 1.948 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793824 590624180 /nfs/dbraw/zinc/62/41/80/590624180.db2.gz UTWNNNBZNFPHNL-UHFFFAOYSA-N 1 2 214.696 1.117 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793824 590624181 /nfs/dbraw/zinc/62/41/81/590624181.db2.gz UTWNNNBZNFPHNL-UHFFFAOYSA-N 1 2 214.696 1.117 20 30 BDEDLO C=C(C)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682033414 487884632 /nfs/dbraw/zinc/88/46/32/487884632.db2.gz VTPJTBPVZQIMKB-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO C=C(C)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682033414 487884635 /nfs/dbraw/zinc/88/46/35/487884635.db2.gz VTPJTBPVZQIMKB-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676956942 487950069 /nfs/dbraw/zinc/95/00/69/487950069.db2.gz IGHFPEIAZGNQLG-QWRGUYRKSA-N 1 2 248.330 1.492 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676956942 487950073 /nfs/dbraw/zinc/95/00/73/487950073.db2.gz IGHFPEIAZGNQLG-QWRGUYRKSA-N 1 2 248.330 1.492 20 30 BDEDLO C=C1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000570460982 323060366 /nfs/dbraw/zinc/06/03/66/323060366.db2.gz KOHCKZVZRBFIDR-JTQLQIEISA-N 1 2 218.304 1.602 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000131224892 323175048 /nfs/dbraw/zinc/17/50/48/323175048.db2.gz UNPGAWLUPSCDJF-AAEUAGOBSA-N 1 2 241.331 1.245 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000533089160 323830871 /nfs/dbraw/zinc/83/08/71/323830871.db2.gz KIAGXLOSHLCAEZ-GWCFXTLKSA-N 1 2 246.314 1.254 20 30 BDEDLO C=CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000682428851 487961466 /nfs/dbraw/zinc/96/14/66/487961466.db2.gz SPBCEAOWIWRDDW-UHFFFAOYSA-N 1 2 221.304 1.698 20 30 BDEDLO CC#CC[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314824505 324108682 /nfs/dbraw/zinc/10/86/82/324108682.db2.gz POAWWPNMTBQZIA-MRVPVSSYSA-N 1 2 238.312 1.604 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(COC)c1 ZINC000491662481 324157411 /nfs/dbraw/zinc/15/74/11/324157411.db2.gz ODKWUOOYYFOOMG-OAHLLOKOSA-N 1 2 245.322 1.667 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(COC)c1 ZINC000491662481 324157416 /nfs/dbraw/zinc/15/74/16/324157416.db2.gz ODKWUOOYYFOOMG-OAHLLOKOSA-N 1 2 245.322 1.667 20 30 BDEDLO N#CCC[NH2+][C@H]1COc2ccc(F)cc21 ZINC000572512810 324165389 /nfs/dbraw/zinc/16/53/89/324165389.db2.gz JUNCDRBSYWHDKW-JTQLQIEISA-N 1 2 206.220 1.762 20 30 BDEDLO Cn1cccc1C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195313573 324202339 /nfs/dbraw/zinc/20/23/39/324202339.db2.gz ZVGFQSALIJWCID-UHFFFAOYSA-N 1 2 231.299 1.443 20 30 BDEDLO C#CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131407234 325145393 /nfs/dbraw/zinc/14/53/93/325145393.db2.gz OMHNBDVKMWQNSC-UHFFFAOYSA-N 1 2 216.240 1.586 20 30 BDEDLO C#CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131407234 325145395 /nfs/dbraw/zinc/14/53/95/325145395.db2.gz OMHNBDVKMWQNSC-UHFFFAOYSA-N 1 2 216.240 1.586 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000076176441 325334809 /nfs/dbraw/zinc/33/48/09/325334809.db2.gz MKVIBMMCMLHAAF-UHFFFAOYSA-N 1 2 246.285 1.217 20 30 BDEDLO C#CC[N@@H+](Cc1nccc(N)n1)C1CCCC1 ZINC000135145149 325397089 /nfs/dbraw/zinc/39/70/89/325397089.db2.gz KCIXVSWUGIDNBM-UHFFFAOYSA-N 1 2 230.315 1.437 20 30 BDEDLO C#CC[N@H+](Cc1nccc(N)n1)C1CCCC1 ZINC000135145149 325397091 /nfs/dbraw/zinc/39/70/91/325397091.db2.gz KCIXVSWUGIDNBM-UHFFFAOYSA-N 1 2 230.315 1.437 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N(CCC#N)CC1CC1 ZINC000548191005 325440316 /nfs/dbraw/zinc/44/03/16/325440316.db2.gz BZIZZPYNWJLHPC-UHFFFAOYSA-N 1 2 246.314 1.115 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1=CCCC1 ZINC000565051684 325851497 /nfs/dbraw/zinc/85/14/97/325851497.db2.gz PVXOQESQALKDEQ-GFCCVEGCSA-N 1 2 221.304 1.057 20 30 BDEDLO CC#CCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566364184 326037541 /nfs/dbraw/zinc/03/75/41/326037541.db2.gz IIXGFQRWVKMAQW-UHFFFAOYSA-N 1 2 233.315 1.955 20 30 BDEDLO C[C@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566630101 326070061 /nfs/dbraw/zinc/07/00/61/326070061.db2.gz YYYXSTZPTHMMAP-DTWKUNHWSA-N 1 2 220.276 1.007 20 30 BDEDLO C[C@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566630101 326070063 /nfs/dbraw/zinc/07/00/63/326070063.db2.gz YYYXSTZPTHMMAP-DTWKUNHWSA-N 1 2 220.276 1.007 20 30 BDEDLO C#CC[N@@H+](Cc1ncnn1C)C1CCCC1 ZINC000155747385 326210554 /nfs/dbraw/zinc/21/05/54/326210554.db2.gz PHIROGOPZJVDLM-UHFFFAOYSA-N 1 2 218.304 1.193 20 30 BDEDLO C#CC[N@@H+](Cc1nncn1C)C1CCCC1 ZINC000155926043 326214988 /nfs/dbraw/zinc/21/49/88/326214988.db2.gz VXUNKUVHIGEOJA-UHFFFAOYSA-N 1 2 218.304 1.193 20 30 BDEDLO C#CC[N@H+](Cc1nncn1C)C1CCCC1 ZINC000155926043 326214991 /nfs/dbraw/zinc/21/49/91/326214991.db2.gz VXUNKUVHIGEOJA-UHFFFAOYSA-N 1 2 218.304 1.193 20 30 BDEDLO Cc1nnsc1C[NH+]1CCC(C#N)CC1 ZINC000567989653 326292226 /nfs/dbraw/zinc/29/22/26/326292226.db2.gz MTYLHNQMRBWZRA-UHFFFAOYSA-N 1 2 222.317 1.582 20 30 BDEDLO Cc1[nH+]c2ccccn2c1CN(C)CC#N ZINC000159099111 326349791 /nfs/dbraw/zinc/34/97/91/326349791.db2.gz QYENZGVBPJUCNV-UHFFFAOYSA-N 1 2 214.272 1.598 20 30 BDEDLO C#CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000490933618 488027255 /nfs/dbraw/zinc/02/72/55/488027255.db2.gz FFPCQDNBHLSAGX-UHFFFAOYSA-N 1 2 238.294 1.622 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000679540732 488357450 /nfs/dbraw/zinc/35/74/50/488357450.db2.gz PHMKUBIQRTYSRH-LBPRGKRZSA-N 1 2 222.332 1.341 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000679540732 488357451 /nfs/dbraw/zinc/35/74/51/488357451.db2.gz PHMKUBIQRTYSRH-LBPRGKRZSA-N 1 2 222.332 1.341 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000290815224 490104494 /nfs/dbraw/zinc/10/44/94/490104494.db2.gz WFCWNXZCZMDPCU-VIFPVBQESA-N 1 2 222.292 1.184 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000192222469 491121033 /nfs/dbraw/zinc/12/10/33/491121033.db2.gz LSNDHPHPLJVFAE-UHFFFAOYSA-N 1 2 220.247 1.329 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000192222469 491121034 /nfs/dbraw/zinc/12/10/34/491121034.db2.gz LSNDHPHPLJVFAE-UHFFFAOYSA-N 1 2 220.247 1.329 20 30 BDEDLO C=CC(C)(C)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000891264913 582644845 /nfs/dbraw/zinc/64/48/45/582644845.db2.gz ZCCFTWWIIIVOJC-VOTSOKGWSA-N 1 2 219.288 1.514 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(C)c1OC ZINC000169280106 536056402 /nfs/dbraw/zinc/05/64/02/536056402.db2.gz YRCBCFOJPBSOKW-SNVBAGLBSA-N 1 2 236.319 1.519 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289751283 536058275 /nfs/dbraw/zinc/05/82/75/536058275.db2.gz PZJYGNVZGIRASV-RKDXNWHRSA-N 1 2 239.344 1.978 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cn(C)nc1C1CC1 ZINC000892059006 582779162 /nfs/dbraw/zinc/77/91/62/582779162.db2.gz RBVSZMPTMBHROI-UHFFFAOYSA-N 1 2 227.311 1.366 20 30 BDEDLO C=C(CC)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000336086940 534399382 /nfs/dbraw/zinc/39/93/82/534399382.db2.gz KRPRCUSTXUGLKG-SNVBAGLBSA-N 1 2 206.293 1.621 20 30 BDEDLO C=C(CC)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000336086940 534399383 /nfs/dbraw/zinc/39/93/83/534399383.db2.gz KRPRCUSTXUGLKG-SNVBAGLBSA-N 1 2 206.293 1.621 20 30 BDEDLO C=C(CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000360633123 534428039 /nfs/dbraw/zinc/42/80/39/534428039.db2.gz LUDNBPHAWILMPB-UHFFFAOYSA-N 1 2 241.294 1.713 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)[C@@H](C)C#N)CC1 ZINC001172808050 974943767 /nfs/dbraw/zinc/94/37/67/974943767.db2.gz QPNGPPSFGAWKJT-TUAOUCFPSA-N 1 2 238.331 1.952 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001172808050 974943772 /nfs/dbraw/zinc/94/37/72/974943772.db2.gz QPNGPPSFGAWKJT-TUAOUCFPSA-N 1 2 238.331 1.952 20 30 BDEDLO C=C[C@@H](CO)[NH2+]Cc1ncc(CSC)s1 ZINC000292926804 534541051 /nfs/dbraw/zinc/54/10/51/534541051.db2.gz IROHFXISMBFWRD-QMMMGPOBSA-N 1 2 244.385 1.643 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000362368992 534649065 /nfs/dbraw/zinc/64/90/65/534649065.db2.gz DODQLTDTKARYCR-VHSXEESVSA-N 1 2 222.292 1.145 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368643466 534704432 /nfs/dbraw/zinc/70/44/32/534704432.db2.gz SBLKKRSSJHPJKA-SECBINFHSA-N 1 2 232.274 1.408 20 30 BDEDLO C=CCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000335389580 534818731 /nfs/dbraw/zinc/81/87/31/534818731.db2.gz USJPDWGFBRXDLQ-UHFFFAOYSA-N 1 2 202.261 1.889 20 30 BDEDLO C=C(C)CCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493767948 526450274 /nfs/dbraw/zinc/45/02/74/526450274.db2.gz CCKIDWPWAFWQHC-AATRIKPKSA-N 1 2 233.315 1.999 20 30 BDEDLO C=CCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000505762882 526614844 /nfs/dbraw/zinc/61/48/44/526614844.db2.gz QMCXQTDUSYAABH-SNVBAGLBSA-N 1 2 234.303 1.356 20 30 BDEDLO C#CCN(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000491734494 526781401 /nfs/dbraw/zinc/78/14/01/526781401.db2.gz BTCDDWVPNQMWNP-UHFFFAOYSA-N 1 2 239.278 1.572 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Br)no1 ZINC000306320221 527332858 /nfs/dbraw/zinc/33/28/58/527332858.db2.gz BROJRTGLJVAOSS-ZETCQYMHSA-N 1 2 243.104 1.891 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)no1 ZINC000306320221 527332859 /nfs/dbraw/zinc/33/28/59/527332859.db2.gz BROJRTGLJVAOSS-ZETCQYMHSA-N 1 2 243.104 1.891 20 30 BDEDLO C#C[C@H](CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000491362597 527360542 /nfs/dbraw/zinc/36/05/42/527360542.db2.gz SXYAMTZYOPHBLG-LLVKDONJSA-N 1 2 227.267 1.476 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)C ZINC000301004731 527413140 /nfs/dbraw/zinc/41/31/40/527413140.db2.gz XREMCIPJJAMAPR-WDEREUQCSA-N 1 2 209.289 1.185 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000494198366 527450442 /nfs/dbraw/zinc/45/04/42/527450442.db2.gz MXYIQXZVLLWSKZ-GFCCVEGCSA-N 1 2 248.330 1.633 20 30 BDEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492862797 527530023 /nfs/dbraw/zinc/53/00/23/527530023.db2.gz LBYMYJFXGBOJIL-UTCJRWHESA-N 1 2 217.272 1.600 20 30 BDEDLO C=CCN(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492687803 527554490 /nfs/dbraw/zinc/55/44/90/527554490.db2.gz HWWALALFQTVIBC-SREVYHEPSA-N 1 2 219.288 1.561 20 30 BDEDLO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC#N)C1 ZINC000495488551 528974566 /nfs/dbraw/zinc/97/45/66/528974566.db2.gz WMCDQVPIFWWFTD-GHMZBOCLSA-N 1 2 239.319 1.357 20 30 BDEDLO CC(C)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352469419 534965544 /nfs/dbraw/zinc/96/55/44/534965544.db2.gz XJJGTIIDMLHWKO-UHFFFAOYSA-N 1 2 241.310 1.181 20 30 BDEDLO CC1(CNC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000329637585 535097307 /nfs/dbraw/zinc/09/73/07/535097307.db2.gz YRFVEVVNHIPBSM-UHFFFAOYSA-N 1 2 234.303 1.413 20 30 BDEDLO CC1(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329637585 535097309 /nfs/dbraw/zinc/09/73/09/535097309.db2.gz YRFVEVVNHIPBSM-UHFFFAOYSA-N 1 2 234.303 1.413 20 30 BDEDLO CCCO[NH+]=C(N)COc1ccccc1F ZINC000186863915 535208201 /nfs/dbraw/zinc/20/82/01/535208201.db2.gz CJWNAWAZUALQMS-UHFFFAOYSA-N 1 2 226.251 1.903 20 30 BDEDLO CCN(CC)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490807 535427760 /nfs/dbraw/zinc/42/77/60/535427760.db2.gz LNDOKZIZOSQASZ-UHFFFAOYSA-N 1 2 241.310 1.182 20 30 BDEDLO C[N@H+](CCC#N)[C@@H]1Cc2ccccc2[C@H]1O ZINC000252735061 536300915 /nfs/dbraw/zinc/30/09/15/536300915.db2.gz HKXZNYLHXMLXQF-CHWSQXEVSA-N 1 2 216.284 1.490 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H]1Cc2ccccc2[C@H]1O ZINC000252735061 536300919 /nfs/dbraw/zinc/30/09/19/536300919.db2.gz HKXZNYLHXMLXQF-CHWSQXEVSA-N 1 2 216.284 1.490 20 30 BDEDLO COC(=O)[C@H](C1CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352441643 536647224 /nfs/dbraw/zinc/64/72/24/536647224.db2.gz ADPAGAMHJXVQFU-JTQLQIEISA-N 1 2 240.278 1.266 20 30 BDEDLO COCC1(C#N)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000343151004 536800959 /nfs/dbraw/zinc/80/09/59/536800959.db2.gz SIHCWNLLJKKPJY-UHFFFAOYSA-N 1 2 246.314 1.542 20 30 BDEDLO C#CCCCNc1cc(N(C)C)nc[nH+]1 ZINC000892704927 582961047 /nfs/dbraw/zinc/96/10/47/582961047.db2.gz VDFCQNLGYGLIHC-UHFFFAOYSA-N 1 2 204.277 1.368 20 30 BDEDLO C#CCCCNc1cc(N(C)C)[nH+]cn1 ZINC000892704927 582961050 /nfs/dbraw/zinc/96/10/50/582961050.db2.gz VDFCQNLGYGLIHC-UHFFFAOYSA-N 1 2 204.277 1.368 20 30 BDEDLO C#CCCn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000852962403 588714654 /nfs/dbraw/zinc/71/46/54/588714654.db2.gz FUEZTUKYLWXAGI-ZDUSSCGKSA-N 1 2 247.342 1.526 20 30 BDEDLO C#CCCn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000852962403 588714655 /nfs/dbraw/zinc/71/46/55/588714655.db2.gz FUEZTUKYLWXAGI-ZDUSSCGKSA-N 1 2 247.342 1.526 20 30 BDEDLO C#CCOCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000853016175 588715806 /nfs/dbraw/zinc/71/58/06/588715806.db2.gz QUWUEVUULRYMFF-UHFFFAOYSA-N 1 2 236.221 1.964 20 30 BDEDLO Cc1ccnc(N=NCc2c[nH+]c3n2CCC3)c1 ZINC000853316734 588732344 /nfs/dbraw/zinc/73/23/44/588732344.db2.gz ANBKKAWOBZBCJT-UHFFFAOYSA-N 1 2 241.298 1.979 20 30 BDEDLO Cc1[nH+]cc(C=NNCC(F)(F)F)n1C ZINC000853333688 588734107 /nfs/dbraw/zinc/73/41/07/588734107.db2.gz IMJBFWFEWNFWDR-UHFFFAOYSA-N 1 2 220.198 1.214 20 30 BDEDLO Cc1[nH+]cc(C=NN2CCCC[C@H]2C)n1C ZINC000853384961 588740331 /nfs/dbraw/zinc/74/03/31/588740331.db2.gz ORKMMRSWIUFOHN-SNVBAGLBSA-N 1 2 220.320 1.937 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N1CC(CO)C1 ZINC000853475983 588745023 /nfs/dbraw/zinc/74/50/23/588745023.db2.gz CGYQPOLIZKMQIK-UHFFFAOYSA-N 1 2 246.310 1.302 20 30 BDEDLO C=CC[N@H+](Cn1cc[nH]c1=S)[C@@H](C)COC ZINC000853535584 588748156 /nfs/dbraw/zinc/74/81/56/588748156.db2.gz WTQSTPDMZUHWIS-JTQLQIEISA-N 1 2 241.360 1.652 20 30 BDEDLO C=CC[N@@H+](Cn1cc[nH]c1=S)[C@@H](C)COC ZINC000853535584 588748157 /nfs/dbraw/zinc/74/81/57/588748157.db2.gz WTQSTPDMZUHWIS-JTQLQIEISA-N 1 2 241.360 1.652 20 30 BDEDLO C#C[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000853659351 588753126 /nfs/dbraw/zinc/75/31/26/588753126.db2.gz DAAWYJPAGOJCHM-JTQLQIEISA-N 1 2 231.299 1.070 20 30 BDEDLO Nc1[nH+]cccc1CON=C[C@@H]1CCCO1 ZINC000853750251 588761375 /nfs/dbraw/zinc/76/13/75/588761375.db2.gz NBORCGVLHFGENO-JTQLQIEISA-N 1 2 221.260 1.345 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000890545975 582469272 /nfs/dbraw/zinc/46/92/72/582469272.db2.gz LSRQZEMTHZTSLF-FOQNGQEVSA-N 1 2 231.299 1.610 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000890551204 582472718 /nfs/dbraw/zinc/47/27/18/582472718.db2.gz XURQNQZAUXULSA-ZYHUDNBSSA-N 1 2 233.315 1.765 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000890551204 582472720 /nfs/dbraw/zinc/47/27/20/582472720.db2.gz XURQNQZAUXULSA-ZYHUDNBSSA-N 1 2 233.315 1.765 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000890647302 582491101 /nfs/dbraw/zinc/49/11/01/582491101.db2.gz DFVSHGSUERXWCZ-GFCCVEGCSA-N 1 2 231.299 1.288 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000891266101 582645573 /nfs/dbraw/zinc/64/55/73/582645573.db2.gz FMXFHLNZYLHYEG-SECBINFHSA-N 1 2 233.315 1.595 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000891266101 582645574 /nfs/dbraw/zinc/64/55/74/582645574.db2.gz FMXFHLNZYLHYEG-SECBINFHSA-N 1 2 233.315 1.595 20 30 BDEDLO C=CC(C)(C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000891268359 582647696 /nfs/dbraw/zinc/64/76/96/582647696.db2.gz RHKGIJOLTMCFKP-UHFFFAOYSA-N 1 2 207.277 1.341 20 30 BDEDLO C=CC(C)(C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000891268359 582647698 /nfs/dbraw/zinc/64/76/98/582647698.db2.gz RHKGIJOLTMCFKP-UHFFFAOYSA-N 1 2 207.277 1.341 20 30 BDEDLO C=C(C)CONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848245362 582750493 /nfs/dbraw/zinc/75/04/93/582750493.db2.gz XDDGSHXBBQGBFX-VIFPVBQESA-N 1 2 223.276 1.212 20 30 BDEDLO C=C(C)CONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848245362 582750495 /nfs/dbraw/zinc/75/04/95/582750495.db2.gz XDDGSHXBBQGBFX-VIFPVBQESA-N 1 2 223.276 1.212 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)o1 ZINC000892058705 582778658 /nfs/dbraw/zinc/77/86/58/582778658.db2.gz DQQISLYCVGTHRQ-UHFFFAOYSA-N 1 2 203.241 1.357 20 30 BDEDLO C#Cc1ccc(C[N@H+](C)Cc2nc(C)no2)cc1 ZINC000848926999 582815659 /nfs/dbraw/zinc/81/56/59/582815659.db2.gz ACUIQHZXJGRUCH-UHFFFAOYSA-N 1 2 241.294 1.991 20 30 BDEDLO C#Cc1ccc(C[N@@H+](C)Cc2nc(C)no2)cc1 ZINC000848926999 582815660 /nfs/dbraw/zinc/81/56/60/582815660.db2.gz ACUIQHZXJGRUCH-UHFFFAOYSA-N 1 2 241.294 1.991 20 30 BDEDLO C=CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000855928061 588854216 /nfs/dbraw/zinc/85/42/16/588854216.db2.gz FREGVENWQREGOJ-UHFFFAOYSA-N 1 2 233.315 1.957 20 30 BDEDLO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1nnc(C)s1 ZINC000393768044 582922983 /nfs/dbraw/zinc/92/29/83/582922983.db2.gz VKFXQCNSYCFVST-VXNVDRBHSA-N 1 2 227.333 1.434 20 30 BDEDLO C=CCCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000856372753 588870731 /nfs/dbraw/zinc/87/07/31/588870731.db2.gz SHDQMYRKWHJXJI-UHFFFAOYSA-N 1 2 221.304 1.813 20 30 BDEDLO C=CCN(CCOC)c1cc(N(C)C)[nH+]cn1 ZINC000893459895 583147668 /nfs/dbraw/zinc/14/76/68/583147668.db2.gz DKTOVGNHPMYLHB-UHFFFAOYSA-N 1 2 236.319 1.181 20 30 BDEDLO C=CCN(CCOC)c1cc(N(C)C)nc[nH+]1 ZINC000893459895 583147669 /nfs/dbraw/zinc/14/76/69/583147669.db2.gz DKTOVGNHPMYLHB-UHFFFAOYSA-N 1 2 236.319 1.181 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)CC#N ZINC000595649574 583150684 /nfs/dbraw/zinc/15/06/84/583150684.db2.gz PESITYXJARHKOG-UHFFFAOYSA-N 1 2 249.318 1.491 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)CC#N ZINC000595649574 583150685 /nfs/dbraw/zinc/15/06/85/583150685.db2.gz PESITYXJARHKOG-UHFFFAOYSA-N 1 2 249.318 1.491 20 30 BDEDLO Cc1nn(C)c(C[NH2+]C[C@@H](C)C#N)c1Cl ZINC000893543429 583159425 /nfs/dbraw/zinc/15/94/25/583159425.db2.gz CFTJGKRGYOXJKD-ZETCQYMHSA-N 1 2 226.711 1.631 20 30 BDEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ncnn1C ZINC000893964132 583257199 /nfs/dbraw/zinc/25/71/99/583257199.db2.gz MWINPTWXCGNRLN-GFCCVEGCSA-N 1 2 240.310 1.517 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccnc(OC)c1F ZINC000894058925 583291745 /nfs/dbraw/zinc/29/17/45/583291745.db2.gz AVJZTPSVYIULGV-VIFPVBQESA-N 1 2 222.263 1.683 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1ccnc(OC)c1F ZINC000894058925 583291747 /nfs/dbraw/zinc/29/17/47/583291747.db2.gz AVJZTPSVYIULGV-VIFPVBQESA-N 1 2 222.263 1.683 20 30 BDEDLO CO[C@@H](C)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000726429857 583354744 /nfs/dbraw/zinc/35/47/44/583354744.db2.gz SOCOHSVOYHETOG-MTDSNMTDSA-N 1 2 239.271 1.647 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878705417 583395145 /nfs/dbraw/zinc/39/51/45/583395145.db2.gz WXDPUHSPGSKBIJ-STQMWFEESA-N 1 2 235.327 1.422 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878705417 583395149 /nfs/dbraw/zinc/39/51/49/583395149.db2.gz WXDPUHSPGSKBIJ-STQMWFEESA-N 1 2 235.327 1.422 20 30 BDEDLO CNc1cc(N[C@@H]2CC[C@H](C#N)C2)[nH+]cn1 ZINC000894271032 583402936 /nfs/dbraw/zinc/40/29/36/583402936.db2.gz CWWANCNCTRKAQH-DTWKUNHWSA-N 1 2 217.276 1.622 20 30 BDEDLO N#Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)cs1 ZINC000894279945 583408204 /nfs/dbraw/zinc/40/82/04/583408204.db2.gz IEUPZAFEZFZMGQ-LLVKDONJSA-N 1 2 240.303 1.526 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)cs1 ZINC000894279945 583408205 /nfs/dbraw/zinc/40/82/05/583408205.db2.gz IEUPZAFEZFZMGQ-LLVKDONJSA-N 1 2 240.303 1.526 20 30 BDEDLO C#C[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894426735 583456472 /nfs/dbraw/zinc/45/64/72/583456472.db2.gz CVGYCUHWNYHJEU-NSHDSACASA-N 1 2 226.283 1.579 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1[nH]nc(C)c1C ZINC000894469037 583468465 /nfs/dbraw/zinc/46/84/65/583468465.db2.gz IIRGDFOGDIGYJH-SNVBAGLBSA-N 1 2 206.293 1.808 20 30 BDEDLO N#CC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894487029 583471824 /nfs/dbraw/zinc/47/18/24/583471824.db2.gz OQFCXDHZJMIUGC-NSHDSACASA-N 1 2 241.298 1.859 20 30 BDEDLO COc1ccc(C[NH2+]CCC#N)c(F)c1OC ZINC000894580251 583488697 /nfs/dbraw/zinc/48/86/97/583488697.db2.gz SFXVXUHOAWEHQR-UHFFFAOYSA-N 1 2 238.262 1.846 20 30 BDEDLO Cc1cc(C#N)nc(NC[C@H]2COCC[N@H+]2C)c1 ZINC000894761152 583518496 /nfs/dbraw/zinc/51/84/96/583518496.db2.gz SDORZUXJAGZKLL-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(C#N)nc(NC[C@H]2COCC[N@@H+]2C)c1 ZINC000894761152 583518497 /nfs/dbraw/zinc/51/84/97/583518497.db2.gz SDORZUXJAGZKLL-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2csc(C#N)c2)C1 ZINC000894823265 583526217 /nfs/dbraw/zinc/52/62/17/583526217.db2.gz ZESQGXBRPVPQDD-UHFFFAOYSA-N 1 2 236.340 1.822 20 30 BDEDLO C#CC[C@H]([NH2+]CCCCC(C)C)C(=O)OC ZINC000894855079 583532388 /nfs/dbraw/zinc/53/23/88/583532388.db2.gz PKBGRASHKJTALG-LBPRGKRZSA-N 1 2 225.332 1.967 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CSCCC)C(=O)OC ZINC000894859401 583533631 /nfs/dbraw/zinc/53/36/31/583533631.db2.gz UHEJJHHEIYQNCA-GHMZBOCLSA-N 1 2 243.372 1.673 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CSCCC)C(=O)OC ZINC000894859403 583533414 /nfs/dbraw/zinc/53/34/14/583533414.db2.gz UHEJJHHEIYQNCA-QWRGUYRKSA-N 1 2 243.372 1.673 20 30 BDEDLO Cn1c[nH+]cc1C=NNCC1(C)CCCC1 ZINC000793080628 583552578 /nfs/dbraw/zinc/55/25/78/583552578.db2.gz CCQDUZKVIQZLLL-UHFFFAOYSA-N 1 2 220.320 1.924 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC000894912262 583554731 /nfs/dbraw/zinc/55/47/31/583554731.db2.gz CKMOUZYCPJWFTD-NSHDSACASA-N 1 2 246.314 1.117 20 30 BDEDLO C#CC[C@H](NCc1[nH]cc(C(C)C)[nH+]1)C(=O)OC ZINC000894986350 583564788 /nfs/dbraw/zinc/56/47/88/583564788.db2.gz NORCTAPLFJFALM-JTQLQIEISA-N 1 2 249.314 1.188 20 30 BDEDLO C=CC(C)(C)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895160475 583609547 /nfs/dbraw/zinc/60/95/47/583609547.db2.gz JFCMYWKCRUKPNX-UHFFFAOYSA-N 1 2 236.319 1.432 20 30 BDEDLO C[C@H](CO)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749816526 583613507 /nfs/dbraw/zinc/61/35/07/583613507.db2.gz QORVAPFRQDYFSP-LLVKDONJSA-N 1 2 244.298 1.177 20 30 BDEDLO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1n[nH]c(=O)n1C ZINC000895178720 583616720 /nfs/dbraw/zinc/61/67/20/583616720.db2.gz XRPMASUYHSDCEY-AEJSXWLSSA-N 1 2 249.318 1.254 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1n[nH]c(=O)n1C ZINC000895178725 583616820 /nfs/dbraw/zinc/61/68/20/583616820.db2.gz XRPMASUYHSDCEY-LPEHRKFASA-N 1 2 249.318 1.254 20 30 BDEDLO Cc1ccc(N=NCc2[nH+]ccn2C)nc1 ZINC000727260254 583626959 /nfs/dbraw/zinc/62/69/59/583626959.db2.gz UMIKACJJLPRJIQ-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1Cc2ccncc2C1 ZINC000857879379 588919265 /nfs/dbraw/zinc/91/92/65/588919265.db2.gz BIXNVTLIBWSHCI-JTQLQIEISA-N 1 2 217.272 1.326 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1Cc2ccncc2C1 ZINC000857879379 588919267 /nfs/dbraw/zinc/91/92/67/588919267.db2.gz BIXNVTLIBWSHCI-JTQLQIEISA-N 1 2 217.272 1.326 20 30 BDEDLO C[C@@]1(C#N)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000895451592 583676378 /nfs/dbraw/zinc/67/63/78/583676378.db2.gz ZPPPMNWNNXFLGZ-ZDUSSCGKSA-N 1 2 230.315 1.954 20 30 BDEDLO COC(=O)/C(C)=C/CNc1cc(C)[nH+]cc1C#N ZINC000895512157 583681841 /nfs/dbraw/zinc/68/18/41/583681841.db2.gz GAURYSSPVNBNEB-RUDMXATFSA-N 1 2 245.282 1.215 20 30 BDEDLO C=C(Cl)C[C@@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000895700591 583709873 /nfs/dbraw/zinc/70/98/73/583709873.db2.gz WBEOQIWQNDPHAR-NXEZZACHSA-N 1 2 249.738 1.421 20 30 BDEDLO C#CCCCCCC[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000895744216 583715968 /nfs/dbraw/zinc/71/59/68/583715968.db2.gz XXBIMPOZGPMKRD-NEPJUHHUSA-N 1 2 241.331 1.082 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)COC(C)=O)C(=O)OC ZINC000895755239 583720864 /nfs/dbraw/zinc/72/08/64/583720864.db2.gz XUJIVAMDYMIRRI-KOLCDFICSA-N 1 2 243.303 1.035 20 30 BDEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCOC1=O ZINC000895809056 583729607 /nfs/dbraw/zinc/72/96/07/583729607.db2.gz XXOHEEATHPFKCJ-IUCAKERBSA-N 1 2 210.277 1.220 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000896004135 583762420 /nfs/dbraw/zinc/76/24/20/583762420.db2.gz PVXCMWMKZCOTOT-MNOVXSKESA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984517 588928769 /nfs/dbraw/zinc/92/87/69/588928769.db2.gz JMGPCXUAYNORFK-SECBINFHSA-N 1 2 205.261 1.410 20 30 BDEDLO C=C[C@@](C)(O)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858000204 588930565 /nfs/dbraw/zinc/93/05/65/588930565.db2.gz BUTZDXHEZXHQEB-CYBMUJFWSA-N 1 2 247.298 1.086 20 30 BDEDLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896494017 583806727 /nfs/dbraw/zinc/80/67/27/583806727.db2.gz FWPCWEBMWIZING-QMMMGPOBSA-N 1 2 236.300 1.047 20 30 BDEDLO C[N@H+]1CCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896494017 583806729 /nfs/dbraw/zinc/80/67/29/583806729.db2.gz FWPCWEBMWIZING-QMMMGPOBSA-N 1 2 236.300 1.047 20 30 BDEDLO C=C1CC(c2noc(Cn3cc[nH+]c3)n2)C1 ZINC000896876068 583843456 /nfs/dbraw/zinc/84/34/56/583843456.db2.gz ATFOPLBPGBPQHB-UHFFFAOYSA-N 1 2 216.244 1.748 20 30 BDEDLO C#Cc1ccc(C[NH2+]Cc2cnn(CC)n2)cc1 ZINC000858206379 588938626 /nfs/dbraw/zinc/93/86/26/588938626.db2.gz KRWURHUGUDOBQF-UHFFFAOYSA-N 1 2 240.310 1.569 20 30 BDEDLO O=C1C[C@H](CC/[NH+]=C/c2ccccc2O)CN1 ZINC000899226525 584182323 /nfs/dbraw/zinc/18/23/23/584182323.db2.gz SXKAAJWSICELCF-RSYJBZMQSA-N 1 2 232.283 1.337 20 30 BDEDLO Oc1ccccc1/C=[NH+]/CC1CC2(C1)OCCO2 ZINC000899226964 584182572 /nfs/dbraw/zinc/18/25/72/584182572.db2.gz BXFJTGMSQNZAOM-XNTDXEJSSA-N 1 2 247.294 1.964 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)C[C@H](O)c2ccccc2)C1 ZINC000899900366 584249764 /nfs/dbraw/zinc/24/97/64/584249764.db2.gz OZIXBYXJUOSUEP-KBPBESRZSA-N 1 2 233.311 1.343 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC000899901220 584250081 /nfs/dbraw/zinc/25/00/81/584250081.db2.gz FWOHXGMHXJMZDB-LLVKDONJSA-N 1 2 239.340 1.497 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2cccc(C)c2)C1 ZINC000899901056 584250123 /nfs/dbraw/zinc/25/01/23/584250123.db2.gz BROSERDOBIMQKH-ZDUSSCGKSA-N 1 2 233.311 1.607 20 30 BDEDLO CC[C@H](C#N)NC(=O)c1ccc(C)[nH+]c1NC ZINC000900472706 584314891 /nfs/dbraw/zinc/31/48/91/584314891.db2.gz XDTJGHHWINFAFU-SECBINFHSA-N 1 2 232.287 1.464 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001040 584373375 /nfs/dbraw/zinc/37/33/75/584373375.db2.gz RQIJDLHDBDPMMV-UHFFFAOYSA-N 1 2 248.330 1.973 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1[nH+]cccc1OC ZINC000858858848 588979949 /nfs/dbraw/zinc/97/99/49/588979949.db2.gz SIQNBLJEMSKLPE-NSHDSACASA-N 1 2 234.299 1.931 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CCCOC1 ZINC000901331724 584425360 /nfs/dbraw/zinc/42/53/60/584425360.db2.gz VBACCRXIMRHUJO-JTQLQIEISA-N 1 2 234.303 1.417 20 30 BDEDLO Cn1c[nH+]cc1/C=C1/CCc2c(cnn2C)C1=O ZINC000901456585 584450250 /nfs/dbraw/zinc/45/02/50/584450250.db2.gz GVDVEWPRKSAETR-UITAMQMPSA-N 1 2 242.282 1.366 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cnn(C)c1 ZINC000901466409 584451347 /nfs/dbraw/zinc/45/13/47/584451347.db2.gz ZLSGGNWQYRRKLE-PLNGDYQASA-N 1 2 230.271 1.533 20 30 BDEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc2n(n1)CCC2 ZINC000901561004 584462732 /nfs/dbraw/zinc/46/27/32/584462732.db2.gz PJJZUDHRAGXCNE-ONEGZZNKSA-N 1 2 228.255 1.449 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccnc(F)c1 ZINC000859114812 589003819 /nfs/dbraw/zinc/00/38/19/589003819.db2.gz NOHFLYXSLIWHDE-VIFPVBQESA-N 1 2 207.252 1.812 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859114812 589003821 /nfs/dbraw/zinc/00/38/21/589003821.db2.gz NOHFLYXSLIWHDE-VIFPVBQESA-N 1 2 207.252 1.812 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(=O)[nH]n1 ZINC000903032219 584718487 /nfs/dbraw/zinc/71/84/87/584718487.db2.gz GJWWDTXTOGGGAL-VIFPVBQESA-N 1 2 232.287 1.527 20 30 BDEDLO N#CC1(C[NH2+][C@@H]2CCn3ccnc32)CCC1 ZINC000903035386 584719035 /nfs/dbraw/zinc/71/90/35/584719035.db2.gz NUAFNAPVZMZBBQ-SNVBAGLBSA-N 1 2 216.288 1.611 20 30 BDEDLO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)n(C)n1 ZINC000903106715 584728683 /nfs/dbraw/zinc/72/86/83/584728683.db2.gz UMFUTJTVWQKSTP-SNVBAGLBSA-N 1 2 218.304 1.683 20 30 BDEDLO CCCCN(O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000904212347 584854432 /nfs/dbraw/zinc/85/44/32/584854432.db2.gz PIAMNSDDZBGZSS-JTQLQIEISA-N 1 2 237.303 1.463 20 30 BDEDLO CCCCN(O)C(=O)CCc1c[nH+]cn1C ZINC000904212190 584854712 /nfs/dbraw/zinc/85/47/12/584854712.db2.gz AJNWXFVTRBHOKW-UHFFFAOYSA-N 1 2 225.292 1.371 20 30 BDEDLO CCCCN(O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000904214590 584855872 /nfs/dbraw/zinc/85/58/72/584855872.db2.gz FGRWARAGFHEMRN-JTQLQIEISA-N 1 2 225.292 1.852 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000904214656 584856510 /nfs/dbraw/zinc/85/65/10/584856510.db2.gz IKHGVDLSJGJAEH-SECBINFHSA-N 1 2 237.303 1.533 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000904214656 584856512 /nfs/dbraw/zinc/85/65/12/584856512.db2.gz IKHGVDLSJGJAEH-SECBINFHSA-N 1 2 237.303 1.533 20 30 BDEDLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713520 584907025 /nfs/dbraw/zinc/90/70/25/584907025.db2.gz NGVUZWRNZQDXSO-LLVKDONJSA-N 1 2 245.282 1.297 20 30 BDEDLO C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713520 584907026 /nfs/dbraw/zinc/90/70/26/584907026.db2.gz NGVUZWRNZQDXSO-LLVKDONJSA-N 1 2 245.282 1.297 20 30 BDEDLO N#CCCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907040 584931187 /nfs/dbraw/zinc/93/11/87/584931187.db2.gz CCEKIKVYNMQUDG-UHFFFAOYSA-N 1 2 229.239 1.795 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C\CCC)CC1 ZINC000733161743 584944036 /nfs/dbraw/zinc/94/40/36/584944036.db2.gz YINRKHUESDUSKH-SREVYHEPSA-N 1 2 220.316 1.120 20 30 BDEDLO C=C1CC[NH+](CCS(=O)(=O)CC)CC1 ZINC000735670858 584980617 /nfs/dbraw/zinc/98/06/17/584980617.db2.gz XWVWRAIVOCKVFB-UHFFFAOYSA-N 1 2 217.334 1.073 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)C#CC(C)(C)C ZINC000838371866 585055279 /nfs/dbraw/zinc/05/52/79/585055279.db2.gz IUCZJUMVCZIQBH-UHFFFAOYSA-N 1 2 234.299 1.555 20 30 BDEDLO C=CC[N@@H+](Cc1cnn(CC)n1)C(C)C ZINC000838793256 585068605 /nfs/dbraw/zinc/06/86/05/585068605.db2.gz IDQYFDXLCOOBNS-UHFFFAOYSA-N 1 2 208.309 1.694 20 30 BDEDLO C=CC[N@H+](Cc1cnn(CC)n1)C(C)C ZINC000838793256 585068606 /nfs/dbraw/zinc/06/86/06/585068606.db2.gz IDQYFDXLCOOBNS-UHFFFAOYSA-N 1 2 208.309 1.694 20 30 BDEDLO C#CC[C@H]([NH2+]C1CC(C(F)F)C1)C(=O)OC ZINC000839167227 585095479 /nfs/dbraw/zinc/09/54/79/585095479.db2.gz CZLMVTZJFSEPEP-HACHORDNSA-N 1 2 231.242 1.185 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCCC12CCC2)C(=O)OC ZINC000839167525 585095544 /nfs/dbraw/zinc/09/55/44/585095544.db2.gz FSKYVLZUDNHFIK-RYUDHWBXSA-N 1 2 235.327 1.864 20 30 BDEDLO C#CC[C@H]([NH2+]CCC(C)(C)C)C(=O)OC ZINC000839168604 585095568 /nfs/dbraw/zinc/09/55/68/585095568.db2.gz LOFCBVPYXXPNPI-JTQLQIEISA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000839168184 585095642 /nfs/dbraw/zinc/09/56/42/585095642.db2.gz KCFVFVNEIPNBRP-WDEREUQCSA-N 1 2 225.332 1.823 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CC1CC1)C(=O)OC ZINC000839168607 585095716 /nfs/dbraw/zinc/09/57/16/585095716.db2.gz LOSJUYMAGFVDDI-KOLCDFICSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+]CCC(C)(C)C)C(=O)OC ZINC000839168605 585095891 /nfs/dbraw/zinc/09/58/91/585095891.db2.gz LOFCBVPYXXPNPI-SNVBAGLBSA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCC(C)CC1)C(=O)OC ZINC000839169724 585095950 /nfs/dbraw/zinc/09/59/50/585095950.db2.gz VBSHVUYMTPYTTJ-MCIGGMRASA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(=O)OC ZINC000839170172 585096023 /nfs/dbraw/zinc/09/60/23/585096023.db2.gz XDAHWNWYBUSKHF-UPJWGTAASA-N 1 2 235.327 1.720 20 30 BDEDLO C#CC[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(=O)OC ZINC000839169158 585096118 /nfs/dbraw/zinc/09/61/18/585096118.db2.gz PHUVLBHPIQKDAO-GVXVVHGQSA-N 1 2 237.343 1.966 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000839198168 585099412 /nfs/dbraw/zinc/09/94/12/585099412.db2.gz VHGKFMYSWNYNHX-AWEZNQCLSA-N 1 2 244.338 1.587 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000839198168 585099413 /nfs/dbraw/zinc/09/94/13/585099413.db2.gz VHGKFMYSWNYNHX-AWEZNQCLSA-N 1 2 244.338 1.587 20 30 BDEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000742381697 585125619 /nfs/dbraw/zinc/12/56/19/585125619.db2.gz DDXOAZFIELMYEW-UHFFFAOYSA-N 1 2 230.246 1.710 20 30 BDEDLO COCC[N@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753733235 585267359 /nfs/dbraw/zinc/26/73/59/585267359.db2.gz ONGJYORKNOKGPJ-UHFFFAOYSA-N 1 2 240.347 1.854 20 30 BDEDLO COCC[N@@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753733235 585267360 /nfs/dbraw/zinc/26/73/60/585267360.db2.gz ONGJYORKNOKGPJ-UHFFFAOYSA-N 1 2 240.347 1.854 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000754374060 585283459 /nfs/dbraw/zinc/28/34/59/585283459.db2.gz TVLZEPKGIFLWKT-VUUNSECVSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000754374060 585283460 /nfs/dbraw/zinc/28/34/60/585283460.db2.gz TVLZEPKGIFLWKT-VUUNSECVSA-N 1 2 236.315 1.730 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1nccnc1Cl ZINC000755717549 585304674 /nfs/dbraw/zinc/30/46/74/585304674.db2.gz PQUOHJNPVMKNEN-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H](CO)COC(C)C ZINC000839581483 585331086 /nfs/dbraw/zinc/33/10/86/585331086.db2.gz TXSRVWSMEPVBDD-SNVBAGLBSA-N 1 2 221.728 1.457 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@H](CO)COC(C)C ZINC000839581483 585331087 /nfs/dbraw/zinc/33/10/87/585331087.db2.gz TXSRVWSMEPVBDD-SNVBAGLBSA-N 1 2 221.728 1.457 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000839594283 585331341 /nfs/dbraw/zinc/33/13/41/585331341.db2.gz OKWSRRPWJQNGRY-BDAKNGLRSA-N 1 2 218.247 1.645 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](C(F)F)C1 ZINC000839594283 585331342 /nfs/dbraw/zinc/33/13/42/585331342.db2.gz OKWSRRPWJQNGRY-BDAKNGLRSA-N 1 2 218.247 1.645 20 30 BDEDLO C(=NNC1CC1)c1cccc2[nH+]ccn21 ZINC000758132361 585350141 /nfs/dbraw/zinc/35/01/41/585350141.db2.gz ATEAEJDLFHHBIS-UHFFFAOYSA-N 1 2 200.245 1.420 20 30 BDEDLO N#Cc1cccn(C[NH+]2C3CCC2CC3)c1=O ZINC000758185097 585351298 /nfs/dbraw/zinc/35/12/98/585351298.db2.gz IFKAQYGDFWALKA-UHFFFAOYSA-N 1 2 229.283 1.304 20 30 BDEDLO CC#CCCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000760292474 585389330 /nfs/dbraw/zinc/38/93/30/585389330.db2.gz SJOIOWCNCODING-UHFFFAOYSA-N 1 2 242.278 1.833 20 30 BDEDLO CCCCN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854909 585420615 /nfs/dbraw/zinc/42/06/15/585420615.db2.gz KFZJXLYNBBICRA-UHFFFAOYSA-N 1 2 230.275 1.860 20 30 BDEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(N)cc1 ZINC000761865759 585421105 /nfs/dbraw/zinc/42/11/05/585421105.db2.gz CXDXFCVUSLMJMB-UHFFFAOYSA-N 1 2 229.287 1.838 20 30 BDEDLO CN(C)c1ccncc1C=[NH+]Nc1cnn(C)c1 ZINC000761866933 585421251 /nfs/dbraw/zinc/42/12/51/585421251.db2.gz NOVCKJQRLYMPHM-UHFFFAOYSA-N 1 2 244.302 1.327 20 30 BDEDLO C=C1CC[NH+](Cc2nc(C)cc(=O)[nH]2)CC1 ZINC000761874944 585421531 /nfs/dbraw/zinc/42/15/31/585421531.db2.gz QMJMCGHCJKAXGF-UHFFFAOYSA-N 1 2 219.288 1.643 20 30 BDEDLO N#Cc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000763108841 585443369 /nfs/dbraw/zinc/44/33/69/585443369.db2.gz LXIUOBULBOEZPA-UHFFFAOYSA-N 1 2 241.250 1.612 20 30 BDEDLO CC#CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000763895430 585456501 /nfs/dbraw/zinc/45/65/01/585456501.db2.gz MAYKLCJIWOSZOH-UHFFFAOYSA-N 1 2 242.322 1.354 20 30 BDEDLO CC#CC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000764508232 585466964 /nfs/dbraw/zinc/46/69/64/585466964.db2.gz TYMJDCBMCGAHCR-UHFFFAOYSA-N 1 2 227.267 1.282 20 30 BDEDLO Nc1[nH+]cccc1CN=Nc1ccc(Cl)nn1 ZINC000764659758 585470373 /nfs/dbraw/zinc/47/03/73/585470373.db2.gz ZNFFFWDKKZRFTD-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000767253710 585515690 /nfs/dbraw/zinc/51/56/90/585515690.db2.gz UYSGUKBULOITHN-JTQLQIEISA-N 1 2 227.267 1.428 20 30 BDEDLO COCC[N@H+](CCC#N)CCC(=O)C1CC1 ZINC000767413285 585519247 /nfs/dbraw/zinc/51/92/47/585519247.db2.gz AHOVRTRYEXYRRR-UHFFFAOYSA-N 1 2 224.304 1.218 20 30 BDEDLO COCC[N@@H+](CCC#N)CCC(=O)C1CC1 ZINC000767413285 585519248 /nfs/dbraw/zinc/51/92/48/585519248.db2.gz AHOVRTRYEXYRRR-UHFFFAOYSA-N 1 2 224.304 1.218 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000768092092 585531714 /nfs/dbraw/zinc/53/17/14/585531714.db2.gz VULLEMRIGAKLDO-UHFFFAOYSA-N 1 2 205.261 1.075 20 30 BDEDLO CN1CCc2cc(C=[NH+]N3CCCC3=O)ccc21 ZINC000769593873 585560539 /nfs/dbraw/zinc/56/05/39/585560539.db2.gz STXKMYHTHDHAQW-UHFFFAOYSA-N 1 2 243.310 1.635 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000769960899 585566361 /nfs/dbraw/zinc/56/63/61/585566361.db2.gz CRGKOLJAQRVNCE-VIFPVBQESA-N 1 2 221.304 1.821 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000769960899 585566362 /nfs/dbraw/zinc/56/63/62/585566362.db2.gz CRGKOLJAQRVNCE-VIFPVBQESA-N 1 2 221.304 1.821 20 30 BDEDLO C=CC[N@@H+](Cn1cc(C(=O)OCC)cn1)C1CC1 ZINC000771641116 585598294 /nfs/dbraw/zinc/59/82/94/585598294.db2.gz LJCHQWYRHNACLR-UHFFFAOYSA-N 1 2 249.314 1.668 20 30 BDEDLO C=CC[N@H+](Cn1cc(C(=O)OCC)cn1)C1CC1 ZINC000771641116 585598295 /nfs/dbraw/zinc/59/82/95/585598295.db2.gz LJCHQWYRHNACLR-UHFFFAOYSA-N 1 2 249.314 1.668 20 30 BDEDLO N#Cc1ccc2c(c1)NC(=O)/C2=C\c1[nH]cc[nH+]1 ZINC000773162760 585632783 /nfs/dbraw/zinc/63/27/83/585632783.db2.gz VXTDIUKXFJCALD-POHAHGRESA-N 1 2 236.234 1.774 20 30 BDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CC#N)CC1 ZINC000773199013 585633499 /nfs/dbraw/zinc/63/34/99/585633499.db2.gz ISDZWVNLJZDMGH-UHFFFAOYSA-N 1 2 245.273 1.088 20 30 BDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CC#N)CC1 ZINC000773199013 585633500 /nfs/dbraw/zinc/63/35/00/585633500.db2.gz ISDZWVNLJZDMGH-UHFFFAOYSA-N 1 2 245.273 1.088 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCCO1 ZINC000775789782 585684804 /nfs/dbraw/zinc/68/48/04/585684804.db2.gz NRQWLNNLKANPRI-NEPJUHHUSA-N 1 2 246.310 1.822 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000776467343 585699090 /nfs/dbraw/zinc/69/90/90/585699090.db2.gz SWVUIHOQMDTRDX-QWHCGFSZSA-N 1 2 234.343 1.200 20 30 BDEDLO CC(C)C[N@H+](CCC#N)Cn1cnnc1 ZINC000776757166 585704504 /nfs/dbraw/zinc/70/45/04/585704504.db2.gz IZEZPKHQQOEFRV-UHFFFAOYSA-N 1 2 207.281 1.107 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)Cn1cnnc1 ZINC000776757166 585704505 /nfs/dbraw/zinc/70/45/05/585704505.db2.gz IZEZPKHQQOEFRV-UHFFFAOYSA-N 1 2 207.281 1.107 20 30 BDEDLO COc1cc(C)[nH+]c(CN=Nc2cccnn2)c1 ZINC000776770698 585705029 /nfs/dbraw/zinc/70/50/29/585705029.db2.gz WRNHIJYILPFUNQ-UHFFFAOYSA-N 1 2 243.270 1.635 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778227621 585728277 /nfs/dbraw/zinc/72/82/77/585728277.db2.gz ZHZTVAAKOBFVIK-LLVKDONJSA-N 1 2 219.288 1.196 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778227621 585728278 /nfs/dbraw/zinc/72/82/78/585728278.db2.gz ZHZTVAAKOBFVIK-LLVKDONJSA-N 1 2 219.288 1.196 20 30 BDEDLO COCC#CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000778227621 585728279 /nfs/dbraw/zinc/72/82/79/585728279.db2.gz ZHZTVAAKOBFVIK-LLVKDONJSA-N 1 2 219.288 1.196 20 30 BDEDLO C=CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000779868447 585769135 /nfs/dbraw/zinc/76/91/35/585769135.db2.gz RDSLQEZDQYRHCG-UHFFFAOYSA-N 1 2 236.275 1.708 20 30 BDEDLO C=CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000779868447 585769136 /nfs/dbraw/zinc/76/91/36/585769136.db2.gz RDSLQEZDQYRHCG-UHFFFAOYSA-N 1 2 236.275 1.708 20 30 BDEDLO Clc1cncnc1N=NCc1[nH]cc[nH+]1 ZINC000780282513 585776561 /nfs/dbraw/zinc/77/65/61/585776561.db2.gz FXXNJJXLCGTBAX-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ccc(C#N)cn2)o1 ZINC000780554657 585780857 /nfs/dbraw/zinc/78/08/57/585780857.db2.gz KPPWKXGNRSALOC-UHFFFAOYSA-N 1 2 238.250 1.708 20 30 BDEDLO CC(C)(C#N)CC(=O)OCCn1cc[nH+]c1 ZINC000785106735 585870927 /nfs/dbraw/zinc/87/09/27/585870927.db2.gz HGOMGJUZHRQZFM-UHFFFAOYSA-N 1 2 221.260 1.366 20 30 BDEDLO C#CCC1(C(=O)NCc2c[nH+]c[nH]2)CCCCC1 ZINC000788510495 585926127 /nfs/dbraw/zinc/92/61/27/585926127.db2.gz DPOWXELIANWYEK-UHFFFAOYSA-N 1 2 245.326 2.000 20 30 BDEDLO C#CCC1(C(=O)NCc2c[nH]c[nH+]2)CCCCC1 ZINC000788510495 585926128 /nfs/dbraw/zinc/92/61/28/585926128.db2.gz DPOWXELIANWYEK-UHFFFAOYSA-N 1 2 245.326 2.000 20 30 BDEDLO Cc1ccc(N=NC(C)c2[nH]cc[nH+]2)nn1 ZINC000790162679 585959007 /nfs/dbraw/zinc/95/90/07/585959007.db2.gz ZYCOTJHXQXNHSB-UHFFFAOYSA-N 1 2 216.248 1.344 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn(C(C)C)nn1)[C@H]1CCCO1 ZINC000808406987 585960972 /nfs/dbraw/zinc/96/09/72/585960972.db2.gz PYPANZVOACXLOA-QWHCGFSZSA-N 1 2 248.330 1.129 20 30 BDEDLO CC(C)n1cc(C=NNc2[nH+]ccn2C)cn1 ZINC000790302280 585963056 /nfs/dbraw/zinc/96/30/56/585963056.db2.gz LWZPOLWTCZLRCQ-UHFFFAOYSA-N 1 2 232.291 1.644 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1ccncc1 ZINC000790305134 585963409 /nfs/dbraw/zinc/96/34/09/585963409.db2.gz AGKOITUKIATUKE-UHFFFAOYSA-N 1 2 215.260 1.651 20 30 BDEDLO C=CC[N@@H+](CC[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000791054093 585973153 /nfs/dbraw/zinc/97/31/53/585973153.db2.gz XBMWNIFDVHWYLF-UHFFFAOYSA-N 1 2 245.282 1.823 20 30 BDEDLO C=CC[N@H+](CC[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000791054093 585973154 /nfs/dbraw/zinc/97/31/54/585973154.db2.gz XBMWNIFDVHWYLF-UHFFFAOYSA-N 1 2 245.282 1.823 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000791745190 585987268 /nfs/dbraw/zinc/98/72/68/585987268.db2.gz KFHTWOMNTFIPFX-RYUDHWBXSA-N 1 2 245.326 1.364 20 30 BDEDLO Cn1cc2c(n1)CC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000794965714 586058655 /nfs/dbraw/zinc/05/86/55/586058655.db2.gz YLLBJJZXZIWSMK-SOFGYWHQSA-N 1 2 228.255 1.356 20 30 BDEDLO C=CCNN=Cc1ccc(C=[NH+]NCC=C)cc1 ZINC000794994318 586062882 /nfs/dbraw/zinc/06/28/82/586062882.db2.gz QIWZAHWAXNACMT-UHFFFAOYSA-N 1 2 242.326 1.906 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1cccc(F)n1 ZINC000795009794 586065617 /nfs/dbraw/zinc/06/56/17/586065617.db2.gz KJEUZNWERLWECG-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000795447960 586079583 /nfs/dbraw/zinc/07/95/83/586079583.db2.gz NRRLBXWMLUJAMR-MRVPVSSYSA-N 1 2 218.247 1.175 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000795447960 586079585 /nfs/dbraw/zinc/07/95/85/586079585.db2.gz NRRLBXWMLUJAMR-MRVPVSSYSA-N 1 2 218.247 1.175 20 30 BDEDLO C#CCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000796564587 586107169 /nfs/dbraw/zinc/10/71/69/586107169.db2.gz GFJLDHSBBPKPLM-UHFFFAOYSA-N 1 2 238.718 1.553 20 30 BDEDLO C#CCC[N@H+](CCO)Cc1cccnc1Cl ZINC000796564587 586107170 /nfs/dbraw/zinc/10/71/70/586107170.db2.gz GFJLDHSBBPKPLM-UHFFFAOYSA-N 1 2 238.718 1.553 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CC[S@@](C)=O ZINC000798197828 586140350 /nfs/dbraw/zinc/14/03/50/586140350.db2.gz VJAMYEMDQGHSSO-OAHLLOKOSA-N 1 2 230.377 1.627 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CC[S@@](C)=O ZINC000798197828 586140351 /nfs/dbraw/zinc/14/03/51/586140351.db2.gz VJAMYEMDQGHSSO-OAHLLOKOSA-N 1 2 230.377 1.627 20 30 BDEDLO O=C1C=C([NH2+]Nc2cccc(F)c2)[C@@H]2CCCN12 ZINC000799478086 586177930 /nfs/dbraw/zinc/17/79/30/586177930.db2.gz RGFOISAHIWFDNI-LBPRGKRZSA-N 1 2 247.273 1.988 20 30 BDEDLO O=C1C=C(N[NH2+]C2CCCCC2)[C@@H]2CCCN12 ZINC000799486429 586180180 /nfs/dbraw/zinc/18/01/80/586180180.db2.gz ZVKIGPABCHENRZ-LBPRGKRZSA-N 1 2 235.331 1.659 20 30 BDEDLO C#CC[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000859379052 589035125 /nfs/dbraw/zinc/03/51/25/589035125.db2.gz KCPBDKYHWSDVRM-CYBMUJFWSA-N 1 2 223.316 1.816 20 30 BDEDLO C#CC[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000859379052 589035127 /nfs/dbraw/zinc/03/51/27/589035127.db2.gz KCPBDKYHWSDVRM-CYBMUJFWSA-N 1 2 223.316 1.816 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1O ZINC000800355493 586213532 /nfs/dbraw/zinc/21/35/32/586213532.db2.gz GOCCBRHGMLOIRB-NSHDSACASA-N 1 2 235.283 1.552 20 30 BDEDLO Cn1c[nH+]c(/C=C2\CCc3nn(C)cc3C2=O)c1 ZINC000800795369 586229104 /nfs/dbraw/zinc/22/91/04/586229104.db2.gz HSFBRJFTZFPWSD-WEVVVXLNSA-N 1 2 242.282 1.366 20 30 BDEDLO Cc1c(C(=O)/C=C\c2cn(C)c[nH+]2)cnn1C ZINC000800794946 586229198 /nfs/dbraw/zinc/22/91/98/586229198.db2.gz VBSGJAOFTUZTJL-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO CC(=NNC[C@@H](C)C#N)c1cn(C)c(C)[nH+]1 ZINC000800814196 586231683 /nfs/dbraw/zinc/23/16/83/586231683.db2.gz KRLWPQHNAUHYSA-QMMMGPOBSA-N 1 2 219.292 1.202 20 30 BDEDLO CSCCON=C(C)c1cn(C)c(C)[nH+]1 ZINC000800817921 586232642 /nfs/dbraw/zinc/23/26/42/586232642.db2.gz ZMBYPSCVOSGTDM-UHFFFAOYSA-N 1 2 227.333 1.832 20 30 BDEDLO C#CCOCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859479029 589040210 /nfs/dbraw/zinc/04/02/10/589040210.db2.gz YVQGHCBTGSAYFV-UHFFFAOYSA-N 1 2 217.268 1.358 20 30 BDEDLO C#CCOCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859479029 589040212 /nfs/dbraw/zinc/04/02/12/589040212.db2.gz YVQGHCBTGSAYFV-UHFFFAOYSA-N 1 2 217.268 1.358 20 30 BDEDLO CCC[C@](C)([NH2+]CCO[C@H](C)C#N)C(=O)OC ZINC000801922450 586278032 /nfs/dbraw/zinc/27/80/32/586278032.db2.gz WNOCOTIYPJULLC-PWSUYJOCSA-N 1 2 242.319 1.236 20 30 BDEDLO COC(=O)[C@H]([NH2+]CCO[C@@H](C)C#N)C(C)(C)C ZINC000801934882 586278655 /nfs/dbraw/zinc/27/86/55/586278655.db2.gz SYWUAUZQDXWKPW-UWVGGRQHSA-N 1 2 242.319 1.092 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000859555707 589045154 /nfs/dbraw/zinc/04/51/54/589045154.db2.gz RTTUXMMYCLWNKY-SNVBAGLBSA-N 1 2 233.695 1.003 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000859555707 589045156 /nfs/dbraw/zinc/04/51/56/589045156.db2.gz RTTUXMMYCLWNKY-SNVBAGLBSA-N 1 2 233.695 1.003 20 30 BDEDLO C=CC[N@H+](CN1Cc2cccnc2C1=O)C1CC1 ZINC000840040941 586391535 /nfs/dbraw/zinc/39/15/35/586391535.db2.gz HDKCOTLEKPSLGW-UHFFFAOYSA-N 1 2 243.310 1.645 20 30 BDEDLO C=CC[N@@H+](CN1Cc2cccnc2C1=O)C1CC1 ZINC000840040941 586391537 /nfs/dbraw/zinc/39/15/37/586391537.db2.gz HDKCOTLEKPSLGW-UHFFFAOYSA-N 1 2 243.310 1.645 20 30 BDEDLO C#CCCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337219 586392039 /nfs/dbraw/zinc/39/20/39/586392039.db2.gz XDQIYXVLAPXTMW-GFCCVEGCSA-N 1 2 245.326 1.508 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000808751121 586487997 /nfs/dbraw/zinc/48/79/97/586487997.db2.gz RPJLRWBKFXGXIM-UHFFFAOYSA-N 1 2 226.283 1.332 20 30 BDEDLO C#CC[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000808751121 586487999 /nfs/dbraw/zinc/48/79/99/586487999.db2.gz RPJLRWBKFXGXIM-UHFFFAOYSA-N 1 2 226.283 1.332 20 30 BDEDLO C#Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000809657878 586511164 /nfs/dbraw/zinc/51/11/64/586511164.db2.gz VXFOMALQRPQMOJ-LLVKDONJSA-N 1 2 231.295 1.661 20 30 BDEDLO C#Cc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000809657878 586511165 /nfs/dbraw/zinc/51/11/65/586511165.db2.gz VXFOMALQRPQMOJ-LLVKDONJSA-N 1 2 231.295 1.661 20 30 BDEDLO N#Cc1cccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000810719582 586545301 /nfs/dbraw/zinc/54/53/01/586545301.db2.gz OYCJIBOSKMAAFV-UHFFFAOYSA-N 1 2 242.238 1.007 20 30 BDEDLO Cn1cc(C=[NH+]NCC2CCCC2)c(=O)[nH]1 ZINC000814229047 586618424 /nfs/dbraw/zinc/61/84/24/586618424.db2.gz PSUYOUHUHVKCSW-UHFFFAOYSA-N 1 2 222.292 1.239 20 30 BDEDLO CC(N=Nc1cccnn1)c1ccc(N)[nH+]c1 ZINC000814852922 586638881 /nfs/dbraw/zinc/63/88/81/586638881.db2.gz URJPUBMWVPEMDI-UHFFFAOYSA-N 1 2 228.259 1.290 20 30 BDEDLO COCCC(C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000814886150 586643044 /nfs/dbraw/zinc/64/30/44/586643044.db2.gz STIUSNQFZSFMDS-QWRGUYRKSA-N 1 2 238.335 1.259 20 30 BDEDLO CC1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000814914502 586650357 /nfs/dbraw/zinc/65/03/57/586650357.db2.gz CGFWOZFERBDRJN-UHFFFAOYSA-N 1 2 242.286 1.860 20 30 BDEDLO C=CC[C@H]([NH2+]Cc1cnn(C)n1)c1ccncc1 ZINC000815124677 586667673 /nfs/dbraw/zinc/66/76/73/586667673.db2.gz HLCKYTJRWLMQOP-ZDUSSCGKSA-N 1 2 243.314 1.617 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCCCCCC ZINC000815285668 586677471 /nfs/dbraw/zinc/67/74/71/586677471.db2.gz ZKABCLYKRBNBLG-UHFFFAOYSA-N 1 2 224.348 1.638 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCCCCCC ZINC000815285668 586677473 /nfs/dbraw/zinc/67/74/73/586677473.db2.gz ZKABCLYKRBNBLG-UHFFFAOYSA-N 1 2 224.348 1.638 20 30 BDEDLO N#CC1(CC(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000815415110 586683409 /nfs/dbraw/zinc/68/34/09/586683409.db2.gz DDRYUTFLSWAZHH-UHFFFAOYSA-N 1 2 231.255 1.401 20 30 BDEDLO CC[C@@H](O)CNN=C1CCc2ccc[nH+]c2CC1 ZINC000817328531 586794796 /nfs/dbraw/zinc/79/47/96/586794796.db2.gz FNLJNZZAJVPBTQ-CYBMUJFWSA-N 1 2 247.342 1.677 20 30 BDEDLO NC(=O)CC1(C/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000817706356 586818757 /nfs/dbraw/zinc/81/87/57/586818757.db2.gz BUZJDPRKHXHYPH-CHHVJCJISA-N 1 2 248.282 1.172 20 30 BDEDLO C=CC(C)(C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819782332 586994928 /nfs/dbraw/zinc/99/49/28/586994928.db2.gz SQLPQMTXBFAPNC-SSDOTTSWSA-N 1 2 212.318 1.806 20 30 BDEDLO C#CC(C)(C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000819971339 587009167 /nfs/dbraw/zinc/00/91/67/587009167.db2.gz HSMOSYPSUCCGNS-UHFFFAOYSA-N 1 2 241.294 1.784 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1NCCOC ZINC000820598439 587058347 /nfs/dbraw/zinc/05/83/47/587058347.db2.gz DOOCGSSJZJWFME-UHFFFAOYSA-N 1 2 234.299 1.932 20 30 BDEDLO CC(C)C#CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000821538797 587127196 /nfs/dbraw/zinc/12/71/96/587127196.db2.gz YNFLPFSUHXRYJD-UHFFFAOYSA-N 1 2 245.326 1.423 20 30 BDEDLO CCC(C#N)(CC)C(=O)OCCn1cc[nH+]c1 ZINC000860197788 589088780 /nfs/dbraw/zinc/08/87/80/589088780.db2.gz HUNAVBADQBFSHA-UHFFFAOYSA-N 1 2 235.287 1.756 20 30 BDEDLO C=CCOCCCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825312313 587314398 /nfs/dbraw/zinc/31/43/98/587314398.db2.gz IXZHGAWJMFZNOB-AATRIKPKSA-N 1 2 249.314 1.142 20 30 BDEDLO C#CC[N@H+](Cc1ccnn1CC1CC1)C1CC1 ZINC000825519268 587322480 /nfs/dbraw/zinc/32/24/80/587322480.db2.gz BQUZPTQOLFQCMQ-UHFFFAOYSA-N 1 2 229.327 1.891 20 30 BDEDLO C#CC[N@@H+](Cc1ccnn1CC1CC1)C1CC1 ZINC000825519268 587322482 /nfs/dbraw/zinc/32/24/82/587322482.db2.gz BQUZPTQOLFQCMQ-UHFFFAOYSA-N 1 2 229.327 1.891 20 30 BDEDLO CC(C)C#CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000826003758 587348088 /nfs/dbraw/zinc/34/80/88/587348088.db2.gz VNNCKIWLBNMFHB-CYBMUJFWSA-N 1 2 245.326 1.706 20 30 BDEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CC#N ZINC000826703635 587359401 /nfs/dbraw/zinc/35/94/01/587359401.db2.gz GRWWNRLRPRPSGA-GFCCVEGCSA-N 1 2 229.283 1.203 20 30 BDEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CC#N ZINC000826703635 587359402 /nfs/dbraw/zinc/35/94/02/587359402.db2.gz GRWWNRLRPRPSGA-GFCCVEGCSA-N 1 2 229.283 1.203 20 30 BDEDLO Cc1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000826991246 587367368 /nfs/dbraw/zinc/36/73/68/587367368.db2.gz XJGHFLDESOEZQC-UHFFFAOYSA-N 1 2 207.302 1.797 20 30 BDEDLO C=CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000827190201 587372268 /nfs/dbraw/zinc/37/22/68/587372268.db2.gz RQVSBFAPWSXGFN-UHFFFAOYSA-N 1 2 219.288 1.377 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000828621499 587454480 /nfs/dbraw/zinc/45/44/80/587454480.db2.gz LUEIUCIQUIYNHV-CHWSQXEVSA-N 1 2 223.316 1.137 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000828621499 587454481 /nfs/dbraw/zinc/45/44/81/587454481.db2.gz LUEIUCIQUIYNHV-CHWSQXEVSA-N 1 2 223.316 1.137 20 30 BDEDLO CC#CC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831478077 587612648 /nfs/dbraw/zinc/61/26/48/587612648.db2.gz VUGKIPDPNRUMLM-UHFFFAOYSA-N 1 2 233.290 1.366 20 30 BDEDLO CC(=NN[C@H](C)C(F)(F)F)c1cn(C)c(C)[nH+]1 ZINC000834998664 587776569 /nfs/dbraw/zinc/77/65/69/587776569.db2.gz WNSPSPOXAFLRLH-SSDOTTSWSA-N 1 2 248.252 1.993 20 30 BDEDLO C#C[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000836407148 587832659 /nfs/dbraw/zinc/83/26/59/587832659.db2.gz NGZQUHJTNHIQNT-UWVGGRQHSA-N 1 2 234.303 1.285 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836422473 587832817 /nfs/dbraw/zinc/83/28/17/587832817.db2.gz OUEXQOBSSYPRSG-GHMZBOCLSA-N 1 2 246.314 1.429 20 30 BDEDLO C=CCCCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836434125 587832997 /nfs/dbraw/zinc/83/29/97/587832997.db2.gz SNMXPYICVWKPLA-SNVBAGLBSA-N 1 2 234.303 1.593 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)C#CC(C)(C)C ZINC000837479597 587876413 /nfs/dbraw/zinc/87/64/13/587876413.db2.gz IVMXCNCNCNTOAS-UHFFFAOYSA-N 1 2 247.342 1.781 20 30 BDEDLO Cc1ccc(NC(=O)C#CC2CC2)c(N(C)C)[nH+]1 ZINC000837490777 587876860 /nfs/dbraw/zinc/87/68/60/587876860.db2.gz MTWUMSUBPIIYGH-UHFFFAOYSA-N 1 2 243.310 1.808 20 30 BDEDLO CN1C(=O)C2(CCCC2)[NH2+][C@@]12CCC[C@H](C#N)C2 ZINC000840818247 587923142 /nfs/dbraw/zinc/92/31/42/587923142.db2.gz MRJUKGUGZLOWCP-FZMZJTMJSA-N 1 2 247.342 1.771 20 30 BDEDLO C=CCONC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000841440143 587954176 /nfs/dbraw/zinc/95/41/76/587954176.db2.gz MCBKBFUPFYFYLL-CYBMUJFWSA-N 1 2 248.326 1.913 20 30 BDEDLO CCn1c[nH+]cc1CN=Nc1cccc(OC)n1 ZINC000841632864 587963029 /nfs/dbraw/zinc/96/30/29/587963029.db2.gz HRJNDNBUXAKZJJ-UHFFFAOYSA-N 1 2 245.286 1.753 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@@H]1CCOC1(C)C ZINC000841640813 587965597 /nfs/dbraw/zinc/96/55/97/587965597.db2.gz JSPQIRAJNZWTJJ-LLVKDONJSA-N 1 2 236.319 1.394 20 30 BDEDLO N#CC1(CO[NH+]=C(N)[C@H]2CCCO2)CCC1 ZINC000842046257 587992464 /nfs/dbraw/zinc/99/24/64/587992464.db2.gz AHZOGMKAHCNEAL-SECBINFHSA-N 1 2 223.276 1.358 20 30 BDEDLO C=CCOCCCc1nc(C[NH2+]CC)no1 ZINC000843144978 588087105 /nfs/dbraw/zinc/08/71/05/588087105.db2.gz QRTJWVQIHDXKKU-UHFFFAOYSA-N 1 2 225.292 1.314 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000844005171 588155072 /nfs/dbraw/zinc/15/50/72/588155072.db2.gz KGPRMVPTXWWGQH-GFCCVEGCSA-N 1 2 245.326 1.604 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000844005171 588155073 /nfs/dbraw/zinc/15/50/73/588155073.db2.gz KGPRMVPTXWWGQH-GFCCVEGCSA-N 1 2 245.326 1.604 20 30 BDEDLO C=C[C@@H](C)ONC(=O)NCCCn1cc[nH+]c1 ZINC000844282393 588180366 /nfs/dbraw/zinc/18/03/66/588180366.db2.gz VKHNVQAVZHQEPE-SNVBAGLBSA-N 1 2 238.291 1.079 20 30 BDEDLO COc1ccc(N(C)CC[N@H+](C)CCC#N)cc1 ZINC000844400068 588190010 /nfs/dbraw/zinc/19/00/10/588190010.db2.gz UZMHUSWRQRIEDG-UHFFFAOYSA-N 1 2 247.342 1.977 20 30 BDEDLO COc1ccc(N(C)CC[N@@H+](C)CCC#N)cc1 ZINC000844400068 588190011 /nfs/dbraw/zinc/19/00/11/588190011.db2.gz UZMHUSWRQRIEDG-UHFFFAOYSA-N 1 2 247.342 1.977 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1(F)CCCC1 ZINC000844527513 588200388 /nfs/dbraw/zinc/20/03/88/588200388.db2.gz PUQXJAUZUUWLBN-NSHDSACASA-N 1 2 241.310 1.229 20 30 BDEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000844527763 588200988 /nfs/dbraw/zinc/20/09/88/588200988.db2.gz BUWRDJCPAJJDGH-GWCFXTLKSA-N 1 2 237.347 1.383 20 30 BDEDLO CCCCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844529128 588201044 /nfs/dbraw/zinc/20/10/44/588201044.db2.gz NUQFVWHPZLOHPK-CYBMUJFWSA-N 1 2 239.363 1.917 20 30 BDEDLO C#CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000844622703 588210436 /nfs/dbraw/zinc/21/04/36/588210436.db2.gz BRXOPSGIKFATKV-LBPRGKRZSA-N 1 2 245.326 1.706 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CC12CCCC2 ZINC000844705117 588214283 /nfs/dbraw/zinc/21/42/83/588214283.db2.gz QGRBTRRLPBMCNZ-LLVKDONJSA-N 1 2 220.316 1.443 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844705117 588214284 /nfs/dbraw/zinc/21/42/84/588214284.db2.gz QGRBTRRLPBMCNZ-LLVKDONJSA-N 1 2 220.316 1.443 20 30 BDEDLO C#C[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845479310 588229940 /nfs/dbraw/zinc/22/99/40/588229940.db2.gz JSLWUOJPHREXLL-UWVGGRQHSA-N 1 2 206.245 1.399 20 30 BDEDLO C[C@H](C#N)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845496027 588230800 /nfs/dbraw/zinc/23/08/00/588230800.db2.gz ZIGZGYMZQYRALC-NXEZZACHSA-N 1 2 221.260 1.537 20 30 BDEDLO C=C[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845522738 588231834 /nfs/dbraw/zinc/23/18/34/588231834.db2.gz OGCIKDPVYOALBW-SNVBAGLBSA-N 1 2 234.299 1.880 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000847018732 588302132 /nfs/dbraw/zinc/30/21/32/588302132.db2.gz MGVKAPJWDWYDPT-LBPRGKRZSA-N 1 2 232.331 1.704 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000847018732 588302133 /nfs/dbraw/zinc/30/21/33/588302133.db2.gz MGVKAPJWDWYDPT-LBPRGKRZSA-N 1 2 232.331 1.704 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1ccns1 ZINC000848416515 588381344 /nfs/dbraw/zinc/38/13/44/588381344.db2.gz NTGCZWDRGNIUOW-UHFFFAOYSA-N 1 2 235.316 1.353 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1c[nH]nc1C ZINC000848416254 588381430 /nfs/dbraw/zinc/38/14/30/588381430.db2.gz DZCYKAODQGTGOW-UHFFFAOYSA-N 1 2 246.318 1.319 20 30 BDEDLO C[C@@H]1SCCC1=NNCCCn1cc[nH+]c1 ZINC000848416244 588381841 /nfs/dbraw/zinc/38/18/41/588381841.db2.gz DNOCEGMDGWHHSR-JTQLQIEISA-N 1 2 238.360 1.744 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cscn1 ZINC000848418636 588381953 /nfs/dbraw/zinc/38/19/53/588381953.db2.gz OVSHJRRLFTXQRQ-UHFFFAOYSA-N 1 2 249.343 1.744 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccncc1 ZINC000848420176 588382776 /nfs/dbraw/zinc/38/27/76/588382776.db2.gz RMRCGPCQYDFMMC-UHFFFAOYSA-N 1 2 243.314 1.682 20 30 BDEDLO C#CC[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000848708645 588406993 /nfs/dbraw/zinc/40/69/93/588406993.db2.gz ZMJHPRIDWUTUIT-SNVBAGLBSA-N 1 2 217.272 1.150 20 30 BDEDLO C[C@H](CC#N)C(=O)OCc1c[nH+]cn1C ZINC000850869481 588572345 /nfs/dbraw/zinc/57/23/45/588572345.db2.gz WERZDCOHBYNINJ-MRVPVSSYSA-N 1 2 207.233 1.013 20 30 BDEDLO C=CC[N@@H+](CCOC(C)C)CC(=O)OCC ZINC000110054763 588609792 /nfs/dbraw/zinc/60/97/92/588609792.db2.gz MKJSTXUXUXMKPD-UHFFFAOYSA-N 1 2 229.320 1.463 20 30 BDEDLO C=CC[N@H+](CCOC(C)C)CC(=O)OCC ZINC000110054763 588609793 /nfs/dbraw/zinc/60/97/93/588609793.db2.gz MKJSTXUXUXMKPD-UHFFFAOYSA-N 1 2 229.320 1.463 20 30 BDEDLO C#CCOCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000851776585 588626378 /nfs/dbraw/zinc/62/63/78/588626378.db2.gz UXOFWFSOMASCJL-ZDUSSCGKSA-N 1 2 249.310 1.611 20 30 BDEDLO C#CCOCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000851776585 588626379 /nfs/dbraw/zinc/62/63/79/588626379.db2.gz UXOFWFSOMASCJL-ZDUSSCGKSA-N 1 2 249.310 1.611 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(CC)[nH]1 ZINC000851799971 588630060 /nfs/dbraw/zinc/63/00/60/588630060.db2.gz UBLVFEVMNXKGFE-SECBINFHSA-N 1 2 206.293 1.383 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(CC)[nH]1 ZINC000851799971 588630061 /nfs/dbraw/zinc/63/00/61/588630061.db2.gz UBLVFEVMNXKGFE-SECBINFHSA-N 1 2 206.293 1.383 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)ns1 ZINC000851990070 588652429 /nfs/dbraw/zinc/65/24/29/588652429.db2.gz NXSNCBROHHAENZ-MRVPVSSYSA-N 1 2 210.302 1.605 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)ns1 ZINC000851990070 588652430 /nfs/dbraw/zinc/65/24/30/588652430.db2.gz NXSNCBROHHAENZ-MRVPVSSYSA-N 1 2 210.302 1.605 20 30 BDEDLO C#CCOCC[N@@H+]1Cc2cccnc2C1 ZINC000852009120 588654895 /nfs/dbraw/zinc/65/48/95/588654895.db2.gz ZFZPKJLVWCBNBN-UHFFFAOYSA-N 1 2 202.257 1.047 20 30 BDEDLO C#CCOCC[N@H+]1Cc2cccnc2C1 ZINC000852009120 588654896 /nfs/dbraw/zinc/65/48/96/588654896.db2.gz ZFZPKJLVWCBNBN-UHFFFAOYSA-N 1 2 202.257 1.047 20 30 BDEDLO C#CCOCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000852019377 588655736 /nfs/dbraw/zinc/65/57/36/588655736.db2.gz XLKRRXIMXKFHEN-UHFFFAOYSA-N 1 2 249.285 1.670 20 30 BDEDLO C#CCOCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000852019377 588655737 /nfs/dbraw/zinc/65/57/37/588655737.db2.gz XLKRRXIMXKFHEN-UHFFFAOYSA-N 1 2 249.285 1.670 20 30 BDEDLO C=C(Cl)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852123290 588665562 /nfs/dbraw/zinc/66/55/62/588665562.db2.gz NSRIURWOCAWDBO-UHFFFAOYSA-N 1 2 228.683 1.304 20 30 BDEDLO C=C(Cl)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852123290 588665563 /nfs/dbraw/zinc/66/55/63/588665563.db2.gz NSRIURWOCAWDBO-UHFFFAOYSA-N 1 2 228.683 1.304 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOCc1ccccc1 ZINC000852163434 588668871 /nfs/dbraw/zinc/66/88/71/588668871.db2.gz ZTFAYFMIQCVOKX-OAHLLOKOSA-N 1 2 245.322 1.537 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOCc1ccccc1 ZINC000852163434 588668872 /nfs/dbraw/zinc/66/88/72/588668872.db2.gz ZTFAYFMIQCVOKX-OAHLLOKOSA-N 1 2 245.322 1.537 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCC(=O)O1)C2 ZINC000852214888 588673409 /nfs/dbraw/zinc/67/34/09/588673409.db2.gz LAJHJDLRGKXDLI-GFCCVEGCSA-N 1 2 242.278 1.579 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCC(=O)O1)C2 ZINC000852214888 588673410 /nfs/dbraw/zinc/67/34/10/588673410.db2.gz LAJHJDLRGKXDLI-GFCCVEGCSA-N 1 2 242.278 1.579 20 30 BDEDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319817 588677913 /nfs/dbraw/zinc/67/79/13/588677913.db2.gz SBRCUIQWEQCKGO-RYUDHWBXSA-N 1 2 238.331 1.954 20 30 BDEDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319817 588677914 /nfs/dbraw/zinc/67/79/14/588677914.db2.gz SBRCUIQWEQCKGO-RYUDHWBXSA-N 1 2 238.331 1.954 20 30 BDEDLO C#CCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000852414999 588681833 /nfs/dbraw/zinc/68/18/33/588681833.db2.gz WNGBCSOCSRJYMN-VIFPVBQESA-N 1 2 203.232 1.102 20 30 BDEDLO C#CCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000852414999 588681834 /nfs/dbraw/zinc/68/18/34/588681834.db2.gz WNGBCSOCSRJYMN-VIFPVBQESA-N 1 2 203.232 1.102 20 30 BDEDLO C[C@H](C#N)[N@H+](CCCCCCO)C1CC1 ZINC000852479199 588683410 /nfs/dbraw/zinc/68/34/10/588683410.db2.gz DQFUDHGWEVXDLB-LLVKDONJSA-N 1 2 210.321 1.916 20 30 BDEDLO C[C@H](C#N)[N@@H+](CCCCCCO)C1CC1 ZINC000852479199 588683411 /nfs/dbraw/zinc/68/34/11/588683411.db2.gz DQFUDHGWEVXDLB-LLVKDONJSA-N 1 2 210.321 1.916 20 30 BDEDLO CCN1C[C@@H](C[N@@H+]2CC[C@](C)(C#N)C2)OC1=O ZINC000852687147 588696392 /nfs/dbraw/zinc/69/63/92/588696392.db2.gz PZFOVJFDQGBYSR-ZYHUDNBSSA-N 1 2 237.303 1.063 20 30 BDEDLO CCN1C[C@@H](C[N@H+]2CC[C@](C)(C#N)C2)OC1=O ZINC000852687147 588696393 /nfs/dbraw/zinc/69/63/93/588696393.db2.gz PZFOVJFDQGBYSR-ZYHUDNBSSA-N 1 2 237.303 1.063 20 30 BDEDLO C#CC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000852742742 588698622 /nfs/dbraw/zinc/69/86/22/588698622.db2.gz VXVVDHDCDOBESJ-BDAKNGLRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000852742742 588698623 /nfs/dbraw/zinc/69/86/23/588698623.db2.gz VXVVDHDCDOBESJ-BDAKNGLRSA-N 1 2 221.222 1.661 20 30 BDEDLO C=CC[C@H](C)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000860900623 589128893 /nfs/dbraw/zinc/12/88/93/589128893.db2.gz HOPOFCUWXQFSRE-WDEREUQCSA-N 1 2 243.372 1.932 20 30 BDEDLO C=C(C)CONC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000862133045 589192746 /nfs/dbraw/zinc/19/27/46/589192746.db2.gz SGOLXCCZCIDTIR-NSHDSACASA-N 1 2 249.314 1.378 20 30 BDEDLO Cc1cccn2c(C=NN3CCOC3=O)c[nH+]c12 ZINC000863163210 589266152 /nfs/dbraw/zinc/26/61/52/589266152.db2.gz SZIKYDLYPNKNJH-UHFFFAOYSA-N 1 2 244.254 1.429 20 30 BDEDLO C#CCNc1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000865410952 589434555 /nfs/dbraw/zinc/43/45/55/589434555.db2.gz NVCSNELJCDUBLA-UHFFFAOYSA-N 1 2 247.298 1.326 20 30 BDEDLO C#CCCNc1cc(NCCC)[nH+]cn1 ZINC000865539348 589444485 /nfs/dbraw/zinc/44/44/85/589444485.db2.gz UCIRZMKMVOAOFJ-UHFFFAOYSA-N 1 2 204.277 1.734 20 30 BDEDLO C#CCCNc1cc(NCCC)nc[nH+]1 ZINC000865539348 589444487 /nfs/dbraw/zinc/44/44/87/589444487.db2.gz UCIRZMKMVOAOFJ-UHFFFAOYSA-N 1 2 204.277 1.734 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C#N)CCCOC1 ZINC000865575381 589448272 /nfs/dbraw/zinc/44/82/72/589448272.db2.gz PEWQONUNYMRONJ-CYBMUJFWSA-N 1 2 245.282 1.071 20 30 BDEDLO C=CCNC(=O)CNc1cc(NCCC)[nH+]cn1 ZINC000865662316 589454814 /nfs/dbraw/zinc/45/48/14/589454814.db2.gz VOTIUEMCLOMZNE-UHFFFAOYSA-N 1 2 249.318 1.013 20 30 BDEDLO C=CCNC(=O)CNc1cc(NCCC)nc[nH+]1 ZINC000865662316 589454815 /nfs/dbraw/zinc/45/48/15/589454815.db2.gz VOTIUEMCLOMZNE-UHFFFAOYSA-N 1 2 249.318 1.013 20 30 BDEDLO C#C[C@H](C)N(C)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865731734 589458723 /nfs/dbraw/zinc/45/87/23/589458723.db2.gz XTBICMGHCACNEC-VIFPVBQESA-N 1 2 245.330 1.569 20 30 BDEDLO C=CCCCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000120794995 589466477 /nfs/dbraw/zinc/46/64/77/589466477.db2.gz ACJOSSLFMXVVKN-LLVKDONJSA-N 1 2 243.372 1.933 20 30 BDEDLO N#CCC1CN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865939196 589469560 /nfs/dbraw/zinc/46/95/60/589469560.db2.gz QJODADAWXCIPNY-UHFFFAOYSA-N 1 2 247.689 1.913 20 30 BDEDLO C#CC[C@H](CCOC)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865976829 589471088 /nfs/dbraw/zinc/47/10/88/589471088.db2.gz AMXSSSRTMPZJCN-DGCLKSJQSA-N 1 2 248.326 1.975 20 30 BDEDLO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C#N)c1O ZINC000866259349 589483614 /nfs/dbraw/zinc/48/36/14/589483614.db2.gz LNQGGINFGPMJKR-WDEREUQCSA-N 1 2 247.342 1.865 20 30 BDEDLO C#CCSCC(=O)OCc1cc[nH+]c(N)c1 ZINC000885899770 589494251 /nfs/dbraw/zinc/49/42/51/589494251.db2.gz DEQSDDYEYMUTHZ-UHFFFAOYSA-N 1 2 236.296 1.073 20 30 BDEDLO C#CCN(C)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867728042 589532723 /nfs/dbraw/zinc/53/27/23/589532723.db2.gz VTKMICJRDCFNIZ-JTQLQIEISA-N 1 2 244.285 1.055 20 30 BDEDLO C#CCN(C)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867728042 589532725 /nfs/dbraw/zinc/53/27/25/589532725.db2.gz VTKMICJRDCFNIZ-JTQLQIEISA-N 1 2 244.285 1.055 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000868621178 589568704 /nfs/dbraw/zinc/56/87/04/589568704.db2.gz REOWAYAAMWJAIR-SNVBAGLBSA-N 1 2 231.299 1.800 20 30 BDEDLO C[C@@H](NC(=O)c1coc(C#N)c1)c1[nH+]ccn1C ZINC000869301913 589597002 /nfs/dbraw/zinc/59/70/02/589597002.db2.gz NXVJJAHSOHVQJW-MRVPVSSYSA-N 1 2 244.254 1.376 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000123097755 589661948 /nfs/dbraw/zinc/66/19/48/589661948.db2.gz BBBOLRJLPGOBIW-LLVKDONJSA-N 1 2 226.283 1.379 20 30 BDEDLO F[C@@H]1CCCC1N=NC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000872359831 589918939 /nfs/dbraw/zinc/91/89/39/589918939.db2.gz QJUOBNLTTXVSHK-IEBDPFPHSA-N 1 2 238.310 1.724 20 30 BDEDLO C(=NN[C@@H]1CCCOC1)c1c[nH]c2nc[nH+]cc12 ZINC000872365694 589921210 /nfs/dbraw/zinc/92/12/10/589921210.db2.gz BRGBXTMUMUPQPT-SNVBAGLBSA-N 1 2 245.286 1.012 20 30 BDEDLO C(=NN[C@H]1CCCOC1)c1c[nH]c2nc[nH+]cc12 ZINC000872365693 589921241 /nfs/dbraw/zinc/92/12/41/589921241.db2.gz BRGBXTMUMUPQPT-JTQLQIEISA-N 1 2 245.286 1.012 20 30 BDEDLO CCOCCON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872367424 589921911 /nfs/dbraw/zinc/92/19/11/589921911.db2.gz XDOJVTWORZISRZ-UHFFFAOYSA-N 1 2 234.259 1.297 20 30 BDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)o1 ZINC000873362202 590030917 /nfs/dbraw/zinc/03/09/17/590030917.db2.gz WZDKLWYMANSDQA-GFCCVEGCSA-N 1 2 248.282 1.679 20 30 BDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)o1 ZINC000873362202 590030920 /nfs/dbraw/zinc/03/09/20/590030920.db2.gz WZDKLWYMANSDQA-GFCCVEGCSA-N 1 2 248.282 1.679 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000874860201 590149433 /nfs/dbraw/zinc/14/94/33/590149433.db2.gz AUBGVXOMUPNFNA-XYPYZODXSA-N 1 2 231.299 1.260 20 30 BDEDLO C=CCNC(=O)C[NH2+]Cc1nc(Cl)cs1 ZINC000877142275 590291728 /nfs/dbraw/zinc/29/17/28/590291728.db2.gz MMHGTQWSJQXJKL-UHFFFAOYSA-N 1 2 245.735 1.188 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)nn1 ZINC000877321994 590315926 /nfs/dbraw/zinc/31/59/26/590315926.db2.gz VYILGTVLCOGERO-SSDOTTSWSA-N 1 2 210.668 1.379 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cn(CCC)nn1 ZINC000877472813 590334697 /nfs/dbraw/zinc/33/46/97/590334697.db2.gz CPZRTWJIIZPXPC-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cn(CCC)nn1 ZINC000877472813 590334700 /nfs/dbraw/zinc/33/47/00/590334700.db2.gz CPZRTWJIIZPXPC-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OCC)no1 ZINC000877480060 590336970 /nfs/dbraw/zinc/33/69/70/590336970.db2.gz IRKDNXFIQAZCET-SECBINFHSA-N 1 2 236.271 1.305 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(=O)OCC)no1 ZINC000877480060 590336972 /nfs/dbraw/zinc/33/69/72/590336972.db2.gz IRKDNXFIQAZCET-SECBINFHSA-N 1 2 236.271 1.305 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](CC)C1CC1)C(=O)OC ZINC000877582642 590366445 /nfs/dbraw/zinc/36/64/45/590366445.db2.gz DAVARCQQUOCSKZ-GHMZBOCLSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000877583000 590366775 /nfs/dbraw/zinc/36/67/75/590366775.db2.gz JWPHJAAFTHWYMW-SRVKXCTJSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+]CC1CCSCC1)C(=O)OC ZINC000877583338 590366915 /nfs/dbraw/zinc/36/69/15/590366915.db2.gz OXSOFDWKUCDTSB-NSHDSACASA-N 1 2 241.356 1.284 20 30 BDEDLO C#CC[C@@H]([NH2+]CCC(C)(C)SC)C(=O)OC ZINC000877583163 590367255 /nfs/dbraw/zinc/36/72/55/590367255.db2.gz MBGXQGMTUZZKAN-SNVBAGLBSA-N 1 2 243.372 1.673 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OC ZINC000877690688 590392956 /nfs/dbraw/zinc/39/29/56/590392956.db2.gz SYSDGZKZDRFBHN-OUAUKWLOSA-N 1 2 243.372 1.835 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1CCCC1 ZINC000877709442 590398135 /nfs/dbraw/zinc/39/81/35/590398135.db2.gz YWSJZZWPICOXAL-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1CCCC1 ZINC000877709442 590398138 /nfs/dbraw/zinc/39/81/38/590398138.db2.gz YWSJZZWPICOXAL-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1(C)CCCC1 ZINC000877711608 590398346 /nfs/dbraw/zinc/39/83/46/590398346.db2.gz QUIQRYBRWIPYLE-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1(C)CCCC1 ZINC000877711608 590398349 /nfs/dbraw/zinc/39/83/49/590398349.db2.gz QUIQRYBRWIPYLE-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO COCC[N@H+](CCC#N)CC[C@H](O)C(C)C ZINC000878159122 590510595 /nfs/dbraw/zinc/51/05/95/590510595.db2.gz DYJMSDMCIWNUDF-LBPRGKRZSA-N 1 2 228.336 1.255 20 30 BDEDLO COCC[N@@H+](CCC#N)CC[C@H](O)C(C)C ZINC000878159122 590510596 /nfs/dbraw/zinc/51/05/96/590510596.db2.gz DYJMSDMCIWNUDF-LBPRGKRZSA-N 1 2 228.336 1.255 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](CCC)C1 ZINC000878306637 590540268 /nfs/dbraw/zinc/54/02/68/590540268.db2.gz COZPAOCABQFWJM-NWDGAFQWSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000878306637 590540270 /nfs/dbraw/zinc/54/02/70/590540270.db2.gz COZPAOCABQFWJM-NWDGAFQWSA-N 1 2 241.331 1.605 20 30 BDEDLO C#C[C@@H]([NH2+]CC(F)(F)CC)[C@H]1CCCO1 ZINC000878454381 590570198 /nfs/dbraw/zinc/57/01/98/590570198.db2.gz WTVPOQKRULJFQS-NXEZZACHSA-N 1 2 217.259 1.802 20 30 BDEDLO C=CC[C@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493532 590579295 /nfs/dbraw/zinc/57/92/95/590579295.db2.gz OCLNOWSKEGJOSM-IUCAKERBSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493532 590579297 /nfs/dbraw/zinc/57/92/97/590579297.db2.gz OCLNOWSKEGJOSM-IUCAKERBSA-N 1 2 205.248 1.653 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000878705357 590612661 /nfs/dbraw/zinc/61/26/61/590612661.db2.gz VEUQTOUYKVRZEI-QWHCGFSZSA-N 1 2 237.343 1.526 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000878705357 590612663 /nfs/dbraw/zinc/61/26/63/590612663.db2.gz VEUQTOUYKVRZEI-QWHCGFSZSA-N 1 2 237.343 1.526 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878705445 590613025 /nfs/dbraw/zinc/61/30/25/590613025.db2.gz XODYMMBJVNNORV-CRWXNKLISA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878705445 590613026 /nfs/dbraw/zinc/61/30/26/590613026.db2.gz XODYMMBJVNNORV-CRWXNKLISA-N 1 2 235.327 1.278 20 30 BDEDLO C#CCN(Cc1[nH+]ccn1CC)C1CSC1 ZINC000878911128 590649237 /nfs/dbraw/zinc/64/92/37/590649237.db2.gz DIXYCNPXXIJZLS-UHFFFAOYSA-N 1 2 235.356 1.454 20 30 BDEDLO C=C(C)C[C@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000879072417 590691939 /nfs/dbraw/zinc/69/19/39/590691939.db2.gz CWWZUSOCMGDFBF-LLVKDONJSA-N 1 2 249.314 1.261 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)Nc1cc[nH+]cc1C ZINC000879074028 590693680 /nfs/dbraw/zinc/69/36/80/590693680.db2.gz WJMHHOFYAWJZMI-ZDUSSCGKSA-N 1 2 231.299 1.735 20 30 BDEDLO COC(C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)OC ZINC000879311714 590737096 /nfs/dbraw/zinc/73/70/96/590737096.db2.gz UEECVOPYXBNPIK-NXEZZACHSA-N 1 2 212.293 1.229 20 30 BDEDLO COC(C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)OC ZINC000879311714 590737099 /nfs/dbraw/zinc/73/70/99/590737099.db2.gz UEECVOPYXBNPIK-NXEZZACHSA-N 1 2 212.293 1.229 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H](CO)c1ccccc1 ZINC000880460096 591050412 /nfs/dbraw/zinc/05/04/12/591050412.db2.gz PMVGSFJIZWZBNT-ZDUSSCGKSA-N 1 2 218.300 1.956 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H](CO)c1ccccc1 ZINC000880460096 591050417 /nfs/dbraw/zinc/05/04/17/591050417.db2.gz PMVGSFJIZWZBNT-ZDUSSCGKSA-N 1 2 218.300 1.956 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880588077 591101155 /nfs/dbraw/zinc/10/11/55/591101155.db2.gz PICQAYKGRDPNNH-VIFPVBQESA-N 1 2 218.728 1.571 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880588077 591101158 /nfs/dbraw/zinc/10/11/58/591101158.db2.gz PICQAYKGRDPNNH-VIFPVBQESA-N 1 2 218.728 1.571 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(C3CC3)ncn2)CC1 ZINC000881787166 591270955 /nfs/dbraw/zinc/27/09/55/591270955.db2.gz ZOUXQYCFUBTIOV-UHFFFAOYSA-N 1 2 242.326 1.109 20 30 BDEDLO Cc1ccc(NC[C@@H]2COCC[N@H+]2C)c(C#N)n1 ZINC000882659156 591407994 /nfs/dbraw/zinc/40/79/94/591407994.db2.gz SWGCETFMCRMVMM-LLVKDONJSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)c(C#N)n1 ZINC000882659156 591407996 /nfs/dbraw/zinc/40/79/96/591407996.db2.gz SWGCETFMCRMVMM-LLVKDONJSA-N 1 2 246.314 1.004 20 30 BDEDLO C#CC[C@H](CCOC)Nc1nc[nH+]c(C)c1C ZINC000882670849 591408761 /nfs/dbraw/zinc/40/87/61/591408761.db2.gz DSTQRBXGTQUQIS-GFCCVEGCSA-N 1 2 233.315 1.934 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000883006301 591507003 /nfs/dbraw/zinc/50/70/03/591507003.db2.gz NQQRTIPTQXDUDK-NSHDSACASA-N 1 2 243.310 1.791 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884523572 591965804 /nfs/dbraw/zinc/96/58/04/591965804.db2.gz AFOYEQYKEAWDBN-JTQLQIEISA-N 1 2 221.304 1.778 20 30 BDEDLO CCc1nc(N2CCN(CCC#N)CC2)cc[nH+]1 ZINC000884574113 591984406 /nfs/dbraw/zinc/98/44/06/591984406.db2.gz BIDOWVIAOMSUCS-UHFFFAOYSA-N 1 2 245.330 1.075 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCCCC(C)(C)C#N ZINC000135509571 592015752 /nfs/dbraw/zinc/01/57/52/592015752.db2.gz HATXBUCILOMDRV-SECBINFHSA-N 1 2 227.308 1.640 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886164976 592167276 /nfs/dbraw/zinc/16/72/76/592167276.db2.gz YWXHMFOOWXDLRW-SDDRHHMPSA-N 1 2 224.279 1.351 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886164976 592167277 /nfs/dbraw/zinc/16/72/77/592167277.db2.gz YWXHMFOOWXDLRW-SDDRHHMPSA-N 1 2 224.279 1.351 20 30 BDEDLO CC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](C)C#N ZINC000886283672 592199958 /nfs/dbraw/zinc/19/99/58/592199958.db2.gz DKTVBLXRFQVGKZ-NWDGAFQWSA-N 1 2 235.331 1.665 20 30 BDEDLO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](C)C#N ZINC000886283672 592199959 /nfs/dbraw/zinc/19/99/59/592199959.db2.gz DKTVBLXRFQVGKZ-NWDGAFQWSA-N 1 2 235.331 1.665 20 30 BDEDLO C#CCSCCNc1cc(CC)[nH+]cn1 ZINC000218965172 592201555 /nfs/dbraw/zinc/20/15/55/592201555.db2.gz AFBYKJXVOFZNEC-UHFFFAOYSA-N 1 2 221.329 1.817 20 30 BDEDLO C=CC(C)(C)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886611622 592275522 /nfs/dbraw/zinc/27/55/22/592275522.db2.gz KGNGZLFQXHGZMH-UHFFFAOYSA-N 1 2 247.342 2.000 20 30 BDEDLO C#CCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC000886790312 592324203 /nfs/dbraw/zinc/32/42/03/592324203.db2.gz ZXIPYYTYDYGMDY-UHFFFAOYSA-N 1 2 245.326 1.726 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886795552 592327132 /nfs/dbraw/zinc/32/71/32/592327132.db2.gz WIFLUZUNPWZAOL-QMMMGPOBSA-N 1 2 243.656 1.986 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886795552 592327137 /nfs/dbraw/zinc/32/71/37/592327137.db2.gz WIFLUZUNPWZAOL-QMMMGPOBSA-N 1 2 243.656 1.986 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103633 592680489 /nfs/dbraw/zinc/68/04/89/592680489.db2.gz NVKRQVCFRRJBJN-UHFFFAOYSA-N 1 2 234.303 1.366 20 30 BDEDLO Cn1c[nH+]c(CNC(=O)C2(C#N)CCCC2)c1 ZINC000890117297 592685606 /nfs/dbraw/zinc/68/56/06/592685606.db2.gz KFMQYPOZFHDJOD-UHFFFAOYSA-N 1 2 232.287 1.120 20 30 BDEDLO Cc1nc(C#N)cc(NCCc2cn(C)c[nH+]2)n1 ZINC000313469238 634462816 /nfs/dbraw/zinc/46/28/16/634462816.db2.gz GIKUFUVVMAPJLQ-UHFFFAOYSA-N 1 2 242.286 1.045 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538972 631398988 /nfs/dbraw/zinc/39/89/88/631398988.db2.gz NIRPNMFYOYWGKM-WCQYABFASA-N 1 2 248.330 1.486 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538972 631398994 /nfs/dbraw/zinc/39/89/94/631398994.db2.gz NIRPNMFYOYWGKM-WCQYABFASA-N 1 2 248.330 1.486 20 30 BDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccco2)C1 ZINC000949582135 631533935 /nfs/dbraw/zinc/53/39/35/631533935.db2.gz YNUQOTCUJZATJH-UHFFFAOYSA-N 1 2 246.310 1.449 20 30 BDEDLO C#CC1(O)C[NH+]([C@H]2CCc3ccccc32)C1 ZINC000934449263 631839646 /nfs/dbraw/zinc/83/96/46/631839646.db2.gz VBCGCQFNMRWWCB-ZDUSSCGKSA-N 1 2 213.280 1.354 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000934463497 631856085 /nfs/dbraw/zinc/85/60/85/631856085.db2.gz JCSPZWBLSDJAAH-LLVKDONJSA-N 1 2 232.331 1.765 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc2n1CCCC2 ZINC000934463497 631856087 /nfs/dbraw/zinc/85/60/87/631856087.db2.gz JCSPZWBLSDJAAH-LLVKDONJSA-N 1 2 232.331 1.765 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000309117888 631886718 /nfs/dbraw/zinc/88/67/18/631886718.db2.gz MKBSMOITUCFNSL-JGVFFNPUSA-N 1 2 225.317 1.446 20 30 BDEDLO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1C#N ZINC000934567691 631934867 /nfs/dbraw/zinc/93/48/67/631934867.db2.gz RGTVYLPZDVLGQP-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1C#N ZINC000934567691 631934869 /nfs/dbraw/zinc/93/48/69/631934869.db2.gz RGTVYLPZDVLGQP-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO N#CCC[NH2+]Cc1cnc2ccccn12 ZINC000308854804 631952377 /nfs/dbraw/zinc/95/23/77/631952377.db2.gz LGZYBWARDSLJNZ-UHFFFAOYSA-N 1 2 200.245 1.338 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000949730122 632410422 /nfs/dbraw/zinc/41/04/22/632410422.db2.gz YRUAYSYHUHCIHB-GFCCVEGCSA-N 1 2 242.338 1.701 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000235226110 632554654 /nfs/dbraw/zinc/55/46/54/632554654.db2.gz KSCBPHTXJKVFBM-SECBINFHSA-N 1 2 206.293 1.144 20 30 BDEDLO Nc1ncc(C=[NH+]OCC2CCC2)cn1 ZINC000853439390 633845778 /nfs/dbraw/zinc/84/57/78/633845778.db2.gz IJGHUKSTWAPITA-UHFFFAOYSA-N 1 2 206.249 1.209 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1ncc[nH]1)[C@@H]1CCCO1 ZINC000309502864 633938000 /nfs/dbraw/zinc/93/80/00/633938000.db2.gz BIEJHHFITVLMHX-VWYCJHECSA-N 1 2 219.288 1.241 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC000950043498 635248724 /nfs/dbraw/zinc/24/87/24/635248724.db2.gz PBCHTFIIEOGJCL-QWHCGFSZSA-N 1 2 234.343 1.200 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc(NCCC)[nH+]cn1 ZINC000320994783 636554008 /nfs/dbraw/zinc/55/40/08/636554008.db2.gz JSYOFBAJYKQHBH-JTQLQIEISA-N 1 2 236.319 1.647 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc(NCCC)nc[nH+]1 ZINC000320994783 636554013 /nfs/dbraw/zinc/55/40/13/636554013.db2.gz JSYOFBAJYKQHBH-JTQLQIEISA-N 1 2 236.319 1.647 20 30 BDEDLO C#CCCCNc1[nH+]cnc2c1cnn2C ZINC000172780163 636557869 /nfs/dbraw/zinc/55/78/69/636557869.db2.gz HNLPPKTTXNPEQI-UHFFFAOYSA-N 1 2 215.260 1.189 20 30 BDEDLO C[N@@H+]1CC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000905002922 637541571 /nfs/dbraw/zinc/54/15/71/637541571.db2.gz MTOQHKOJFBSAPD-DELQEKLWSA-N 1 2 249.270 1.423 20 30 BDEDLO C[N@H+]1CC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000905002922 637541582 /nfs/dbraw/zinc/54/15/82/637541582.db2.gz MTOQHKOJFBSAPD-DELQEKLWSA-N 1 2 249.270 1.423 20 30 BDEDLO N#Cc1ccc(F)c(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905517447 637841647 /nfs/dbraw/zinc/84/16/47/637841647.db2.gz CSXOBQKJJODQGZ-UHFFFAOYSA-N 1 2 223.207 1.064 20 30 BDEDLO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]CCC#N ZINC000905672580 637885075 /nfs/dbraw/zinc/88/50/75/637885075.db2.gz ZCDGXUBZPFBVHF-SECBINFHSA-N 1 2 248.286 1.008 20 30 BDEDLO C#CC[C@@H](CCOC)[NH2+][C@H](CC=C)C(=O)OC ZINC000905778145 637908942 /nfs/dbraw/zinc/90/89/42/637908942.db2.gz OVGVPCOIYOMJJU-NWDGAFQWSA-N 1 2 239.315 1.122 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)CCSC)C(=O)OC ZINC000905760024 637913841 /nfs/dbraw/zinc/91/38/41/637913841.db2.gz FBABJYDIYRATNG-NXEZZACHSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C(=O)OC ZINC000905763465 637918645 /nfs/dbraw/zinc/91/86/45/637918645.db2.gz YWDPWXFFTWVPIW-DGCLKSJQSA-N 1 2 248.326 1.892 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](C)SC)C(=O)OC ZINC000905764401 637921406 /nfs/dbraw/zinc/92/14/06/637921406.db2.gz XSLBDRDFJVBBRI-DTWKUNHWSA-N 1 2 217.334 1.445 20 30 BDEDLO C=CC[N@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906282938 638126434 /nfs/dbraw/zinc/12/64/34/638126434.db2.gz JERYRRGMFOAOJE-UHFFFAOYSA-N 1 2 218.304 1.763 20 30 BDEDLO C=CC[N@@H+](Cc1cn(C2CC2)nn1)C1CC1 ZINC000906282938 638126438 /nfs/dbraw/zinc/12/64/38/638126438.db2.gz JERYRRGMFOAOJE-UHFFFAOYSA-N 1 2 218.304 1.763 20 30 BDEDLO Cc1cc(C)c(C(=O)N2CC(C)(C#N)C2)c(C)[nH+]1 ZINC000907932452 638506505 /nfs/dbraw/zinc/50/65/05/638506505.db2.gz YWMIAOSQQITHCB-UHFFFAOYSA-N 1 2 243.310 1.993 20 30 BDEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cnccn1 ZINC000129191185 638726434 /nfs/dbraw/zinc/72/64/34/638726434.db2.gz HYLLQDGCYONVFI-SECBINFHSA-N 1 2 204.277 1.677 20 30 BDEDLO N#CC1(CNC(=O)CNc2cccc[nH+]2)CCC1 ZINC000910943983 639546950 /nfs/dbraw/zinc/54/69/50/639546950.db2.gz LFDKBZAENCBOGI-UHFFFAOYSA-N 1 2 244.298 1.304 20 30 BDEDLO C=CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912050683 639936283 /nfs/dbraw/zinc/93/62/83/639936283.db2.gz YXGMFMXDFWOUHK-UHFFFAOYSA-N 1 2 221.304 1.815 20 30 BDEDLO C=C(CC)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140313 640075383 /nfs/dbraw/zinc/07/53/83/640075383.db2.gz HMNKUDWHAHASJI-JTQLQIEISA-N 1 2 206.293 1.908 20 30 BDEDLO C=C(CC)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140313 640075391 /nfs/dbraw/zinc/07/53/91/640075391.db2.gz HMNKUDWHAHASJI-JTQLQIEISA-N 1 2 206.293 1.908 20 30 BDEDLO CC#CCN1CC[NH+](Cc2cncs2)CC1 ZINC000931359813 640170296 /nfs/dbraw/zinc/17/02/96/640170296.db2.gz RNCRTBOUOYVOBP-UHFFFAOYSA-N 1 2 235.356 1.284 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931941198 640400448 /nfs/dbraw/zinc/40/04/48/640400448.db2.gz MNUSWJCWRSAFRE-VIFPVBQESA-N 1 2 242.282 1.937 20 30 BDEDLO C[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000932348252 640489933 /nfs/dbraw/zinc/48/99/33/640489933.db2.gz DOUKMYTVSPRHRX-RYUDHWBXSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000932348252 640489941 /nfs/dbraw/zinc/48/99/41/640489941.db2.gz DOUKMYTVSPRHRX-RYUDHWBXSA-N 1 2 221.304 1.541 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1ccccn1)C(C)C ZINC000932384383 640511009 /nfs/dbraw/zinc/51/10/09/640511009.db2.gz QZXIMPSHBLWPJE-UHFFFAOYSA-N 1 2 231.299 1.364 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1ccccn1)C(C)C ZINC000932384383 640511013 /nfs/dbraw/zinc/51/10/13/640511013.db2.gz QZXIMPSHBLWPJE-UHFFFAOYSA-N 1 2 231.299 1.364 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1cc(C)on1)C(C)C ZINC000932392627 640520034 /nfs/dbraw/zinc/52/00/34/640520034.db2.gz ATTICQSFOMXLIU-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)on1)C(C)C ZINC000932392627 640520036 /nfs/dbraw/zinc/52/00/36/640520036.db2.gz ATTICQSFOMXLIU-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CC2CC2)C1 ZINC001030045493 640536954 /nfs/dbraw/zinc/53/69/54/640536954.db2.gz WDRLIMZUJWXUET-UHFFFAOYSA-N 1 2 208.305 1.163 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001030064090 640566661 /nfs/dbraw/zinc/56/66/61/640566661.db2.gz GRACZVBLIIASFB-UHFFFAOYSA-N 1 2 234.343 1.390 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC001030092190 640586611 /nfs/dbraw/zinc/58/66/11/640586611.db2.gz KVGKILNVGANXRV-NSHDSACASA-N 1 2 220.316 1.329 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030100361 640593637 /nfs/dbraw/zinc/59/36/37/640593637.db2.gz RQLMPZIZHRQHBA-UHFFFAOYSA-N 1 2 219.288 1.005 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2ncoc2CC)C1 ZINC001030177528 640663956 /nfs/dbraw/zinc/66/39/56/640663956.db2.gz LHSUITJZWYCOSG-UHFFFAOYSA-N 1 2 249.314 1.227 20 30 BDEDLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000933234463 640688397 /nfs/dbraw/zinc/68/83/97/640688397.db2.gz NAMVPXBRDYGARP-LBPRGKRZSA-N 1 2 247.298 1.252 20 30 BDEDLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000933234463 640688401 /nfs/dbraw/zinc/68/84/01/640688401.db2.gz NAMVPXBRDYGARP-LBPRGKRZSA-N 1 2 247.298 1.252 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC001030356993 640787460 /nfs/dbraw/zinc/78/74/60/640787460.db2.gz WYCJYYUEYHYFMY-NEPJUHHUSA-N 1 2 236.359 1.799 20 30 BDEDLO N#CCC[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000934002592 640803303 /nfs/dbraw/zinc/80/33/03/640803303.db2.gz WKHXSJMHVNEYJX-UHFFFAOYSA-N 1 2 244.294 1.950 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C23CCC(CC2)C3)C1 ZINC001030534894 640900436 /nfs/dbraw/zinc/90/04/36/640900436.db2.gz IBFWBHRZYNJJRB-UHFFFAOYSA-N 1 2 248.370 1.943 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)nn1 ZINC000934517128 641187071 /nfs/dbraw/zinc/18/70/71/641187071.db2.gz SVMGZNCDTFCSGJ-GFCCVEGCSA-N 1 2 231.299 1.473 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)nn1 ZINC000934517128 641187075 /nfs/dbraw/zinc/18/70/75/641187075.db2.gz SVMGZNCDTFCSGJ-GFCCVEGCSA-N 1 2 231.299 1.473 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934571473 641201992 /nfs/dbraw/zinc/20/19/92/641201992.db2.gz UMYNADMODKNSSB-CHWSQXEVSA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934571473 641201998 /nfs/dbraw/zinc/20/19/98/641201998.db2.gz UMYNADMODKNSSB-CHWSQXEVSA-N 1 2 234.274 1.463 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C)CCCC2)C1 ZINC001030757424 641336981 /nfs/dbraw/zinc/33/69/81/641336981.db2.gz QJETWHHPTJZXOF-UHFFFAOYSA-N 1 2 236.359 1.943 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001030816657 641364902 /nfs/dbraw/zinc/36/49/02/641364902.db2.gz GACHIPMZBBYWNS-UHFFFAOYSA-N 1 2 236.359 1.799 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCCc1c[nH+]cn1C ZINC000935331142 641387659 /nfs/dbraw/zinc/38/76/59/641387659.db2.gz LACZIQALKPRPSE-LLVKDONJSA-N 1 2 235.331 1.681 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001030869427 641392559 /nfs/dbraw/zinc/39/25/59/641392559.db2.gz PBAUPGSHABXKOY-STQMWFEESA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2C[C@H]2C)C1 ZINC001030903019 641412360 /nfs/dbraw/zinc/41/23/60/641412360.db2.gz VRDPYNAOJMCZOD-NXEZZACHSA-N 1 2 208.305 1.019 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001031167439 641761456 /nfs/dbraw/zinc/76/14/56/641761456.db2.gz CSDNGJZRUFYHBF-CHWSQXEVSA-N 1 2 236.359 1.655 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001031203805 641807816 /nfs/dbraw/zinc/80/78/16/641807816.db2.gz SIKDSQYYDHCVJW-CYBMUJFWSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001031236406 641834225 /nfs/dbraw/zinc/83/42/25/641834225.db2.gz WBZRDRCGUHBDGH-GFCCVEGCSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CC=CC2)C1 ZINC000949816202 641863536 /nfs/dbraw/zinc/86/35/36/641863536.db2.gz BUNNCNXZTBCWQY-UHFFFAOYSA-N 1 2 234.343 1.671 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC000949889017 641871309 /nfs/dbraw/zinc/87/13/09/641871309.db2.gz RDIPCURYGWEYEI-NWDGAFQWSA-N 1 2 240.322 1.455 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC000950352438 641916078 /nfs/dbraw/zinc/91/60/78/641916078.db2.gz QVTQZXJKDNTGOD-UHFFFAOYSA-N 1 2 247.342 1.277 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C(C)(F)F)CC1 ZINC000950551969 641928345 /nfs/dbraw/zinc/92/83/45/641928345.db2.gz NVFJIZGJUXJKIZ-JTQLQIEISA-N 1 2 246.301 1.608 20 30 BDEDLO C(#Cc1ccccc1)C[N@@H+]1CCC2(C1)OCCO2 ZINC000192100615 641960472 /nfs/dbraw/zinc/96/04/72/641960472.db2.gz PGJICOZROZTLDC-UHFFFAOYSA-N 1 2 243.306 1.487 20 30 BDEDLO C(#Cc1ccccc1)C[N@H+]1CCC2(C1)OCCO2 ZINC000192100615 641960476 /nfs/dbraw/zinc/96/04/76/641960476.db2.gz PGJICOZROZTLDC-UHFFFAOYSA-N 1 2 243.306 1.487 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000155018215 642356402 /nfs/dbraw/zinc/35/64/02/642356402.db2.gz ONVNGGPDWUAKRD-LBPRGKRZSA-N 1 2 224.348 1.956 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000155018215 642356407 /nfs/dbraw/zinc/35/64/07/642356407.db2.gz ONVNGGPDWUAKRD-LBPRGKRZSA-N 1 2 224.348 1.956 20 30 BDEDLO CCn1c[nH+]c2c1CCN(CC1(CC#N)CC1)C2 ZINC000933252853 642422660 /nfs/dbraw/zinc/42/26/60/642422660.db2.gz IBHCKMVUMWZXFY-UHFFFAOYSA-N 1 2 244.342 1.955 20 30 BDEDLO CCn1cnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000933255178 642426186 /nfs/dbraw/zinc/42/61/86/642426186.db2.gz XVOHKECWANXZIG-VXGBXAGGSA-N 1 2 244.342 1.953 20 30 BDEDLO CCn1cnc2c1CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000933255178 642426198 /nfs/dbraw/zinc/42/61/98/642426198.db2.gz XVOHKECWANXZIG-VXGBXAGGSA-N 1 2 244.342 1.953 20 30 BDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000964614478 642761355 /nfs/dbraw/zinc/76/13/55/642761355.db2.gz WTJBFKYAERFMMI-VHSXEESVSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000964614478 642761363 /nfs/dbraw/zinc/76/13/63/642761363.db2.gz WTJBFKYAERFMMI-VHSXEESVSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(F)F)C1 ZINC000964614479 642762811 /nfs/dbraw/zinc/76/28/11/642762811.db2.gz WTJBFKYAERFMMI-ZJUUUORDSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(F)F)C1 ZINC000964614479 642762815 /nfs/dbraw/zinc/76/28/15/642762815.db2.gz WTJBFKYAERFMMI-ZJUUUORDSA-N 1 2 244.285 1.101 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001015677742 642922736 /nfs/dbraw/zinc/92/27/36/642922736.db2.gz ZEEJXWYGYYHBIF-LLVKDONJSA-N 1 2 240.322 1.503 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001015677742 642922743 /nfs/dbraw/zinc/92/27/43/642922743.db2.gz ZEEJXWYGYYHBIF-LLVKDONJSA-N 1 2 240.322 1.503 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C[C@@H]1C ZINC001017897375 642982494 /nfs/dbraw/zinc/98/24/94/642982494.db2.gz VIBDQWOAJCUMCA-RFQIPJPRSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C[C@@H]1C ZINC001017897375 642982501 /nfs/dbraw/zinc/98/25/01/642982501.db2.gz VIBDQWOAJCUMCA-RFQIPJPRSA-N 1 2 246.354 1.341 20 30 BDEDLO Cc1cc(CO[NH+]=C(N)c2ccccc2)on1 ZINC000072893777 643321232 /nfs/dbraw/zinc/32/12/32/643321232.db2.gz KGTFTAJOIVEISL-UHFFFAOYSA-N 1 2 231.255 1.820 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)CC ZINC001032282072 643441617 /nfs/dbraw/zinc/44/16/17/643441617.db2.gz KNMQBKYVPAPREL-STQMWFEESA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)CC ZINC001032282072 643441625 /nfs/dbraw/zinc/44/16/25/643441625.db2.gz KNMQBKYVPAPREL-STQMWFEESA-N 1 2 234.343 1.341 20 30 BDEDLO Cc1cccc2ncc(C[NH2+]CCC#N)n21 ZINC000336734915 643454878 /nfs/dbraw/zinc/45/48/78/643454878.db2.gz LFUKKPHHJXZSLU-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO N#C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000921537838 643591423 /nfs/dbraw/zinc/59/14/23/643591423.db2.gz OFNWXFBHJCAQGF-NSHDSACASA-N 1 2 232.287 1.151 20 30 BDEDLO Cc1[nH]c(CN[C@@H](CC#N)C(F)(F)F)[nH+]c1C ZINC000922650426 644058352 /nfs/dbraw/zinc/05/83/52/644058352.db2.gz PYNFYVRPRPVJFA-QMMMGPOBSA-N 1 2 246.236 1.961 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CCCC)CCCC ZINC000192218734 644138269 /nfs/dbraw/zinc/13/82/69/644138269.db2.gz FRCVXYJNZZZGHP-UHFFFAOYSA-N 1 2 238.375 1.980 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CCCC)CCCC ZINC000192218734 644138270 /nfs/dbraw/zinc/13/82/70/644138270.db2.gz FRCVXYJNZZZGHP-UHFFFAOYSA-N 1 2 238.375 1.980 20 30 BDEDLO Cn1c[nH+]cc1CNc1cccc(OCC#N)c1 ZINC000090165969 644583487 /nfs/dbraw/zinc/58/34/87/644583487.db2.gz JLWZUPCNCDKQBH-UHFFFAOYSA-N 1 2 242.282 1.935 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000957060343 644682622 /nfs/dbraw/zinc/68/26/22/644682622.db2.gz JAVSQAYQZBNZOF-ZDUSSCGKSA-N 1 2 248.370 1.897 20 30 BDEDLO C=C[C@H](C)O[NH+]=C1CCCc2nc(N)ncc21 ZINC000844620561 645342562 /nfs/dbraw/zinc/34/25/62/645342562.db2.gz MCTWJHMQUIAXER-QMMMGPOBSA-N 1 2 232.287 1.690 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C#N)C1 ZINC000928218062 645713622 /nfs/dbraw/zinc/71/36/22/645713622.db2.gz QUGPYRAHQQDVEO-JTQLQIEISA-N 1 2 232.287 1.023 20 30 BDEDLO C=C(C)CC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886944129 645892708 /nfs/dbraw/zinc/89/27/08/645892708.db2.gz LKXOYEUSWCGNNF-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO COC(=O)/C=C(/C)C[N@H+](C)C[C@H](C)C#N ZINC000929471786 646121589 /nfs/dbraw/zinc/12/15/89/646121589.db2.gz KCERRSZUVXYQIZ-HYHWUIIZSA-N 1 2 210.277 1.197 20 30 BDEDLO COC(=O)/C=C(/C)C[N@@H+](C)C[C@H](C)C#N ZINC000929471786 646121592 /nfs/dbraw/zinc/12/15/92/646121592.db2.gz KCERRSZUVXYQIZ-HYHWUIIZSA-N 1 2 210.277 1.197 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000894854491 711772942 /nfs/dbraw/zinc/77/29/42/711772942.db2.gz IMOPKVHGWHTARW-RNJOBUHISA-N 1 2 235.327 1.720 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898505153 711801869 /nfs/dbraw/zinc/80/18/69/711801869.db2.gz UUHGDXFWVGRKEN-WDEREUQCSA-N 1 2 241.310 1.086 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898505153 711801870 /nfs/dbraw/zinc/80/18/70/711801870.db2.gz UUHGDXFWVGRKEN-WDEREUQCSA-N 1 2 241.310 1.086 20 30 BDEDLO CCC(=[NH+]NC(=S)NC)c1cccc(N)c1 ZINC000378864639 712364637 /nfs/dbraw/zinc/36/46/37/712364637.db2.gz XVTAMFMNEOMCEO-UHFFFAOYSA-N 1 2 236.344 1.477 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccco1 ZINC001038012366 712898270 /nfs/dbraw/zinc/89/82/70/712898270.db2.gz ZGYUDBLUNVHMJL-SNVBAGLBSA-N 1 2 220.272 1.270 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccco1 ZINC001038012366 712898271 /nfs/dbraw/zinc/89/82/71/712898271.db2.gz ZGYUDBLUNVHMJL-SNVBAGLBSA-N 1 2 220.272 1.270 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038301655 710681974 /nfs/dbraw/zinc/68/19/74/710681974.db2.gz OHTAFHNBNSXSLR-AWEZNQCLSA-N 1 2 242.322 1.109 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038301655 710681975 /nfs/dbraw/zinc/68/19/75/710681975.db2.gz OHTAFHNBNSXSLR-AWEZNQCLSA-N 1 2 242.322 1.109 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1CC ZINC001038681190 710701968 /nfs/dbraw/zinc/70/19/68/710701968.db2.gz XEDKBVAKBSXCRS-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1CC ZINC001038681190 710701974 /nfs/dbraw/zinc/70/19/74/710701974.db2.gz XEDKBVAKBSXCRS-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001039019071 710717203 /nfs/dbraw/zinc/71/72/03/710717203.db2.gz OLXGYUVXQUAHLL-CQSZACIVSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001039019071 710717207 /nfs/dbraw/zinc/71/72/07/710717207.db2.gz OLXGYUVXQUAHLL-CQSZACIVSA-N 1 2 246.354 1.557 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001043400006 710808133 /nfs/dbraw/zinc/80/81/33/710808133.db2.gz AAIWBHQJVSZANP-IUODEOHRSA-N 1 2 248.370 1.895 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@]2(C)CC)C1 ZINC001044116282 710819436 /nfs/dbraw/zinc/81/94/36/710819436.db2.gz JORLLEZRMPISSW-JSGCOSHPSA-N 1 2 236.359 1.751 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cscn1)[C@H]1CCCO1 ZINC000381196898 710607874 /nfs/dbraw/zinc/60/78/74/710607874.db2.gz BGGSONWRJUASJO-JBLDHEPKSA-N 1 2 236.340 1.975 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1occc1CC ZINC001038662870 710699094 /nfs/dbraw/zinc/69/90/94/710699094.db2.gz VRCAINNPUVCKSO-LBPRGKRZSA-N 1 2 246.310 1.279 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1CC ZINC001038662870 710699097 /nfs/dbraw/zinc/69/90/97/710699097.db2.gz VRCAINNPUVCKSO-LBPRGKRZSA-N 1 2 246.310 1.279 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1CC ZINC001038659818 710699117 /nfs/dbraw/zinc/69/91/17/710699117.db2.gz COLGGJVKUQIQML-GFCCVEGCSA-N 1 2 248.326 1.832 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1CC ZINC001038659818 710699118 /nfs/dbraw/zinc/69/91/18/710699118.db2.gz COLGGJVKUQIQML-GFCCVEGCSA-N 1 2 248.326 1.832 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038612342 710699482 /nfs/dbraw/zinc/69/94/82/710699482.db2.gz WLGSYLHNLBCNBP-STQMWFEESA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038612342 710699490 /nfs/dbraw/zinc/69/94/90/710699490.db2.gz WLGSYLHNLBCNBP-STQMWFEESA-N 1 2 248.370 1.636 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccs1 ZINC001038036233 711470579 /nfs/dbraw/zinc/47/05/79/711470579.db2.gz PUXDSTWBEHDOBD-NSHDSACASA-N 1 2 248.351 1.576 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccs1 ZINC001038036233 711470580 /nfs/dbraw/zinc/47/05/80/711470580.db2.gz PUXDSTWBEHDOBD-NSHDSACASA-N 1 2 248.351 1.576 20 30 BDEDLO CCN(CC)c1ncc(C[NH2+]CCC#N)s1 ZINC000037240203 711473865 /nfs/dbraw/zinc/47/38/65/711473865.db2.gz NHJBYVDXYKSFMZ-UHFFFAOYSA-N 1 2 238.360 1.993 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001038041034 711554878 /nfs/dbraw/zinc/55/48/78/711554878.db2.gz DIHUMMDJRLKRQB-GFCCVEGCSA-N 1 2 248.351 1.576 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001038041034 711554882 /nfs/dbraw/zinc/55/48/82/711554882.db2.gz DIHUMMDJRLKRQB-GFCCVEGCSA-N 1 2 248.351 1.576 20 30 BDEDLO N#CCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335290860 711723504 /nfs/dbraw/zinc/72/35/04/711723504.db2.gz SHVRASPDJGIMPB-UHFFFAOYSA-N 1 2 247.302 1.212 20 30 BDEDLO N#CCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335290860 711723505 /nfs/dbraw/zinc/72/35/05/711723505.db2.gz SHVRASPDJGIMPB-UHFFFAOYSA-N 1 2 247.302 1.212 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(C2CC2)o1 ZINC000700411154 711744148 /nfs/dbraw/zinc/74/41/48/711744148.db2.gz WWYRBXNKLCZYRC-GFCCVEGCSA-N 1 2 219.288 1.839 20 30 BDEDLO CCn1c[nH+]cc1CNCc1nc(C#N)cs1 ZINC000897630347 711798553 /nfs/dbraw/zinc/79/85/53/711798553.db2.gz WOAMTCRDAFFGOA-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO C=CCn1cccc1C(=O)NC1C[NH+](CC)C1 ZINC001030447679 711834024 /nfs/dbraw/zinc/83/40/24/711834024.db2.gz HMLYZMBGNAFXRC-UHFFFAOYSA-N 1 2 233.315 1.108 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030797701 711843116 /nfs/dbraw/zinc/84/31/16/711843116.db2.gz JYHLKMBUKHSHSU-UHFFFAOYSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001032352873 711913997 /nfs/dbraw/zinc/91/39/97/711913997.db2.gz GLPYDKLIVGECAA-STQMWFEESA-N 1 2 230.311 1.015 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001032352873 711913998 /nfs/dbraw/zinc/91/39/98/711913998.db2.gz GLPYDKLIVGECAA-STQMWFEESA-N 1 2 230.311 1.015 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001032526440 711923969 /nfs/dbraw/zinc/92/39/69/711923969.db2.gz YVHIGIDEFGRKAJ-RYUDHWBXSA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001032526440 711923970 /nfs/dbraw/zinc/92/39/70/711923970.db2.gz YVHIGIDEFGRKAJ-RYUDHWBXSA-N 1 2 232.327 1.095 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032662400 711932436 /nfs/dbraw/zinc/93/24/36/711932436.db2.gz LIGUFISKPNLSIF-RDBSUJKOSA-N 1 2 248.370 1.587 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032662400 711932438 /nfs/dbraw/zinc/93/24/38/711932438.db2.gz LIGUFISKPNLSIF-RDBSUJKOSA-N 1 2 248.370 1.587 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032791597 711940095 /nfs/dbraw/zinc/94/00/95/711940095.db2.gz ADYQODMICAIDIP-STQMWFEESA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032791597 711940097 /nfs/dbraw/zinc/94/00/97/711940097.db2.gz ADYQODMICAIDIP-STQMWFEESA-N 1 2 248.370 1.731 20 30 BDEDLO Cc1ccc(C[NH2+]Cc2ncnn2C)cc1C#N ZINC000701843652 712031320 /nfs/dbraw/zinc/03/13/20/712031320.db2.gz PEAAUBBGCCXZNT-UHFFFAOYSA-N 1 2 241.298 1.285 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712686563 712440677 /nfs/dbraw/zinc/44/06/77/712440677.db2.gz DLHHXNPNWWSZJX-LBPRGKRZSA-N 1 2 238.331 1.418 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712686563 712440679 /nfs/dbraw/zinc/44/06/79/712440679.db2.gz DLHHXNPNWWSZJX-LBPRGKRZSA-N 1 2 238.331 1.418 20 30 BDEDLO C#CC[C@@H](COC)Nc1[nH+]cccc1OC ZINC000716381129 712557742 /nfs/dbraw/zinc/55/77/42/712557742.db2.gz QWZCJSSBCQBUEM-JTQLQIEISA-N 1 2 220.272 1.540 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000848923569 712610143 /nfs/dbraw/zinc/61/01/43/712610143.db2.gz GOOUITHCKDRHJY-GFCCVEGCSA-N 1 2 246.358 1.878 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000848923569 712610144 /nfs/dbraw/zinc/61/01/44/712610144.db2.gz GOOUITHCKDRHJY-GFCCVEGCSA-N 1 2 246.358 1.878 20 30 BDEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000886355084 712654881 /nfs/dbraw/zinc/65/48/81/712654881.db2.gz BZYLGBNTRNORLY-SNVBAGLBSA-N 1 2 231.299 1.792 20 30 BDEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000886355084 712654882 /nfs/dbraw/zinc/65/48/82/712654882.db2.gz BZYLGBNTRNORLY-SNVBAGLBSA-N 1 2 231.299 1.792 20 30 BDEDLO C=C[C@H](CO)Nc1cc(NCCC)[nH+]cn1 ZINC000717487947 712659903 /nfs/dbraw/zinc/65/99/03/712659903.db2.gz QFFRAWVGXKHRDN-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO C=C[C@H](CO)Nc1cc(NCCC)nc[nH+]1 ZINC000717487947 712659904 /nfs/dbraw/zinc/65/99/04/712659904.db2.gz QFFRAWVGXKHRDN-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000930447696 712712649 /nfs/dbraw/zinc/71/26/49/712712649.db2.gz FOUWLTXPOJBJAA-PWSUYJOCSA-N 1 2 234.303 1.211 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000930447696 712712652 /nfs/dbraw/zinc/71/26/52/712712652.db2.gz FOUWLTXPOJBJAA-PWSUYJOCSA-N 1 2 234.303 1.211 20 30 BDEDLO N#C[C@@H]1CCCN(CC[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932153194 712715719 /nfs/dbraw/zinc/71/57/19/712715719.db2.gz XMLNLEQEFAEUTI-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO N#C[C@@H]1CCCN(CC[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932153194 712715720 /nfs/dbraw/zinc/71/57/20/712715720.db2.gz XMLNLEQEFAEUTI-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCN2CCC[C@H](C#N)C2)C1 ZINC000932153194 712715722 /nfs/dbraw/zinc/71/57/22/712715722.db2.gz XMLNLEQEFAEUTI-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCN2CCC[C@H](C#N)C2)C1 ZINC000932153194 712715725 /nfs/dbraw/zinc/71/57/25/712715725.db2.gz XMLNLEQEFAEUTI-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO Cn1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1=O ZINC000932159039 712716595 /nfs/dbraw/zinc/71/65/95/712716595.db2.gz SJSTUMZNKKJSOT-GFCCVEGCSA-N 1 2 231.299 1.121 20 30 BDEDLO Cn1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1=O ZINC000932159039 712716596 /nfs/dbraw/zinc/71/65/96/712716596.db2.gz SJSTUMZNKKJSOT-GFCCVEGCSA-N 1 2 231.299 1.121 20 30 BDEDLO C=CC[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724742824 959355218 /nfs/dbraw/zinc/35/52/18/959355218.db2.gz CLILFXSBEWDIEO-VHSXEESVSA-N 1 2 246.301 1.784 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CCCOCC)C1 ZINC001267637826 960153965 /nfs/dbraw/zinc/15/39/65/960153965.db2.gz PKHDTQGXMWFECA-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(F)c(O)c(F)c1 ZINC001140990851 960781887 /nfs/dbraw/zinc/78/18/87/960781887.db2.gz AHMCSVFSCWNZEG-UHFFFAOYSA-N 1 2 211.211 1.735 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(F)c(O)c(F)c1 ZINC001140990851 960781905 /nfs/dbraw/zinc/78/19/05/960781905.db2.gz AHMCSVFSCWNZEG-UHFFFAOYSA-N 1 2 211.211 1.735 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC(C)=C(C)C)C1 ZINC001481576549 961214527 /nfs/dbraw/zinc/21/45/27/961214527.db2.gz CRWQFVGBBDTCLK-UHFFFAOYSA-N 1 2 234.343 1.557 20 30 BDEDLO C=CC[C@@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001119403737 968376376 /nfs/dbraw/zinc/37/63/76/968376376.db2.gz VLYGTEQZUVISHP-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001119403737 968376383 /nfs/dbraw/zinc/37/63/83/968376383.db2.gz VLYGTEQZUVISHP-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CCOC(=O)[C@@H]([NH2+]CC(C)(C)O)[C@@H](C)CC ZINC001252365621 968645793 /nfs/dbraw/zinc/64/57/93/968645793.db2.gz GMIVTRNLDBUTAL-QWRGUYRKSA-N 1 2 243.347 1.491 20 30 BDEDLO C=CCOC[C@H](O)CNc1[nH+]cccc1OC ZINC001252454568 968711386 /nfs/dbraw/zinc/71/13/86/968711386.db2.gz QQXLAZPULVCGPF-SNVBAGLBSA-N 1 2 238.287 1.066 20 30 BDEDLO C=C[C@](C)(O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001252584717 968838334 /nfs/dbraw/zinc/83/83/34/968838334.db2.gz DTXSSRIZPKVZRA-NSHDSACASA-N 1 2 229.320 1.245 20 30 BDEDLO C=C[C@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001253568626 969241000 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/nfs/dbraw/zinc/54/09/80/971540980.db2.gz GTRCXMQUGKBDQK-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H](C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257902302 971535308 /nfs/dbraw/zinc/53/53/08/971535308.db2.gz UCMPXDDZDVDOCT-JTQLQIEISA-N 1 2 208.305 1.837 20 30 BDEDLO C[C@@H]1COCC[C@H]1Nc1[nH+]cccc1CC#N ZINC001170813516 971887430 /nfs/dbraw/zinc/88/74/30/971887430.db2.gz IFIUFPDOUADJCS-ZYHUDNBSSA-N 1 2 231.299 1.985 20 30 BDEDLO C=C[C@@H]1C[C@]1(Nc1c[nH+]cn1C)C(=O)OCC ZINC001170918456 972089627 /nfs/dbraw/zinc/08/96/27/972089627.db2.gz OTJBWZAQBVJGEE-BXKDBHETSA-N 1 2 235.287 1.340 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001209564411 957503091 /nfs/dbraw/zinc/50/30/91/957503091.db2.gz KJEQFHIAQFTVNY-WLLOZRIZSA-N 1 2 217.272 1.941 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001209564411 957503098 /nfs/dbraw/zinc/50/30/98/957503098.db2.gz KJEQFHIAQFTVNY-WLLOZRIZSA-N 1 2 217.272 1.941 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C=C)C(=O)OC)C1 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ZINC001140602072 960456338 /nfs/dbraw/zinc/45/63/38/960456338.db2.gz CACKWLGFLWCMIT-UHFFFAOYSA-N 1 2 249.701 1.129 20 30 BDEDLO O=C(C#CC1CC1)NCCCNc1cccc[nH+]1 ZINC000837427859 960635374 /nfs/dbraw/zinc/63/53/74/960635374.db2.gz ZMDCKRZZYJMRGG-UHFFFAOYSA-N 1 2 243.310 1.413 20 30 BDEDLO C#CC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203081479 960742741 /nfs/dbraw/zinc/74/27/41/960742741.db2.gz VKCRSYVYTWADDP-UHFFFAOYSA-N 1 2 203.289 1.563 20 30 BDEDLO C=C(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001142518260 961471838 /nfs/dbraw/zinc/47/18/38/961471838.db2.gz VNWPCLCOQWZTTL-LLVKDONJSA-N 1 2 231.299 1.353 20 30 BDEDLO N#CCCC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001143204972 961943910 /nfs/dbraw/zinc/94/39/10/961943910.db2.gz GRPQFMWLTFEKFY-UHFFFAOYSA-N 1 2 232.287 1.528 20 30 BDEDLO N#Cc1cc(F)cc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001151647874 962312208 /nfs/dbraw/zinc/31/22/08/962312208.db2.gz DKMKIIQIQOHFDK-UHFFFAOYSA-N 1 2 244.229 1.602 20 30 BDEDLO C#CCNc1cc(N(CC)CC)nc[nH+]1 ZINC001155653787 963141267 /nfs/dbraw/zinc/14/12/67/963141267.db2.gz BFDPHHSTYMXFQN-UHFFFAOYSA-N 1 2 204.277 1.368 20 30 BDEDLO C#CCNc1cc(N(CC)CC)[nH+]cn1 ZINC001155653787 963141273 /nfs/dbraw/zinc/14/12/73/963141273.db2.gz BFDPHHSTYMXFQN-UHFFFAOYSA-N 1 2 204.277 1.368 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nncn1C ZINC000135689777 963207800 /nfs/dbraw/zinc/20/78/00/963207800.db2.gz MWXMGTBILMUQMB-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO Cc1nonc1CNc1cc(CC#N)cc[nH+]1 ZINC001156087943 963260334 /nfs/dbraw/zinc/26/03/34/963260334.db2.gz SBDWKIJWKDELLG-UHFFFAOYSA-N 1 2 229.243 1.451 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1cc(Cl)ccn1 ZINC001156320788 963311292 /nfs/dbraw/zinc/31/12/92/963311292.db2.gz DMWRJTMMDUMCDX-VIFPVBQESA-N 1 2 222.679 1.037 20 30 BDEDLO C#Cc1cc(Nc2cnc3ccnn3c2)cc[nH+]1 ZINC001204773438 963431416 /nfs/dbraw/zinc/43/14/16/963431416.db2.gz CYBBGPIGHJJXNA-UHFFFAOYSA-N 1 2 235.250 1.271 20 30 BDEDLO Cc1nc(NCc2cc[nH+]c(N)c2)cnc1C#N ZINC001156760631 963455672 /nfs/dbraw/zinc/45/56/72/963455672.db2.gz 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ZINC001169784773 969858963 /nfs/dbraw/zinc/85/89/63/969858963.db2.gz SZIFEMXOJYWIAN-QMMMGPOBSA-N 1 2 244.241 1.950 20 30 BDEDLO C#Cc1cc(Nc2ccc(CO)c(F)c2)cc[nH+]1 ZINC001210481343 969903397 /nfs/dbraw/zinc/90/33/97/969903397.db2.gz OCDBQBGVGAYQFO-UHFFFAOYSA-N 1 2 242.253 1.860 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)n1 ZINC001255160851 969970741 /nfs/dbraw/zinc/97/07/41/969970741.db2.gz QSBLFFLRTMGULR-SNVBAGLBSA-N 1 2 249.314 1.881 20 30 BDEDLO C#Cc1cc(Nc2cncc(COC)c2)cc[nH+]1 ZINC001211074743 970135002 /nfs/dbraw/zinc/13/50/02/970135002.db2.gz PAQWRLFZUMHVNU-UHFFFAOYSA-N 1 2 239.278 1.770 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CC(F)F)CC1 ZINC001113113569 970347598 /nfs/dbraw/zinc/34/75/98/970347598.db2.gz BTUCVJSGZKWFLD-SNVBAGLBSA-N 1 2 246.301 1.608 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc2cc[nH]c2n1 ZINC001144187914 972676059 /nfs/dbraw/zinc/67/60/59/972676059.db2.gz ORTVLUONGKQQEL-UHFFFAOYSA-N 1 2 223.279 1.631 20 30 BDEDLO C#CC[N@@H+](Cc1nc(C)c(C)[nH]1)CC1CC1 ZINC001329512467 973807407 /nfs/dbraw/zinc/80/74/07/973807407.db2.gz LNWMTNLPBGFAFG-UHFFFAOYSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC[N@H+](Cc1nc(C)c(C)[nH]1)CC1CC1 ZINC001329512467 973807413 /nfs/dbraw/zinc/80/74/13/973807413.db2.gz LNWMTNLPBGFAFG-UHFFFAOYSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)CC1CC1 ZINC001329512467 973807419 /nfs/dbraw/zinc/80/74/19/973807419.db2.gz LNWMTNLPBGFAFG-UHFFFAOYSA-N 1 2 217.316 1.872 20 30 BDEDLO N#CC1CC[NH+](CN2C(=O)CC23CCC3)CC1 ZINC001329967647 974061858 /nfs/dbraw/zinc/06/18/58/974061858.db2.gz RYYLBCQWKYDXIO-UHFFFAOYSA-N 1 2 233.315 1.334 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@](C)(CC)OC)C(=O)OCC ZINC001330622660 974368765 /nfs/dbraw/zinc/36/87/65/974368765.db2.gz UJYZIGLKPABDJA-AAEUAGOBSA-N 1 2 243.347 1.899 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172150379 974410508 /nfs/dbraw/zinc/41/05/08/974410508.db2.gz NKZOEPQJKMQXOR-OBJOEFQTSA-N 1 2 249.358 1.668 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172150377 974410699 /nfs/dbraw/zinc/41/06/99/974410699.db2.gz NKZOEPQJKMQXOR-BZPMIXESSA-N 1 2 249.358 1.668 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172360301 974630595 /nfs/dbraw/zinc/63/05/95/974630595.db2.gz RPOYVBRGTBUXNN-DBIOUOCHSA-N 1 2 245.388 1.872 20 30 BDEDLO C=C1CCC(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001332851872 975294274 /nfs/dbraw/zinc/29/42/74/975294274.db2.gz BOEUEYHBARETHT-UHFFFAOYSA-N 1 2 245.326 1.972 20 30 BDEDLO C#C[C@@H](Oc1c(C)cc[nH+]c1C)C(=O)OCC ZINC001227264645 975340980 /nfs/dbraw/zinc/34/09/80/975340980.db2.gz PHEZCKLWXOVZRJ-LLVKDONJSA-N 1 2 233.267 1.642 20 30 BDEDLO COC(=O)C1([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173587087 975434263 /nfs/dbraw/zinc/43/42/63/975434263.db2.gz LGJKEKCCPJPWHK-UHFFFAOYSA-N 1 2 236.315 1.754 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227490123 975482266 /nfs/dbraw/zinc/48/22/66/975482266.db2.gz LEYUKLKJDPVSSC-OTDFPYDRSA-N 1 2 247.294 1.383 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227490123 975482276 /nfs/dbraw/zinc/48/22/76/975482276.db2.gz LEYUKLKJDPVSSC-OTDFPYDRSA-N 1 2 247.294 1.383 20 30 BDEDLO Cc1c(C#N)cccc1OC1C[NH+](C)C1 ZINC001228028912 975858308 /nfs/dbraw/zinc/85/83/08/975858308.db2.gz AOLZNZIWFAQCPD-UHFFFAOYSA-N 1 2 202.257 1.560 20 30 BDEDLO C#Cc1cc(Nc2ccc(OC)nc2)cc[nH+]1 ZINC001173958074 976001677 /nfs/dbraw/zinc/00/16/77/976001677.db2.gz VTSZKZDGGXSSGU-UHFFFAOYSA-N 1 2 225.251 1.632 20 30 BDEDLO CC[NH+]1CC(Oc2cc(F)c(C#N)c(F)c2)C1 ZINC001228220637 976003624 /nfs/dbraw/zinc/00/36/24/976003624.db2.gz FVZDYHQCZILLCA-UHFFFAOYSA-N 1 2 238.237 1.919 20 30 BDEDLO C=C[C@H](Oc1ccc2[nH]c(C)[nH+]c2c1)C(=O)OC ZINC001228328859 976120639 /nfs/dbraw/zinc/12/06/39/976120639.db2.gz JUBYPXMVXDFQQN-LBPRGKRZSA-N 1 2 246.266 1.978 20 30 BDEDLO C=C[C@@H](Oc1ccc2[nH]c(C)[nH+]c2c1)C(=O)OC ZINC001228328858 976124442 /nfs/dbraw/zinc/12/44/42/976124442.db2.gz JUBYPXMVXDFQQN-GFCCVEGCSA-N 1 2 246.266 1.978 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CC#N)C1 ZINC001334741048 976610998 /nfs/dbraw/zinc/61/09/98/976610998.db2.gz YTRRTLDPVZEWHI-NSHDSACASA-N 1 2 246.314 1.115 20 30 BDEDLO C/C(=N\O)c1ccccc1OC1C[NH+](C)C1 ZINC001229739067 976973783 /nfs/dbraw/zinc/97/37/83/976973783.db2.gz BRVPXJDGGJBGEI-UKTHLTGXSA-N 1 2 220.272 1.578 20 30 BDEDLO Cc1nsc(Nc2[nH]cc[nH+]2)c1C#N ZINC001176080357 977876136 /nfs/dbraw/zinc/87/61/36/977876136.db2.gz UXCWIMCLIJIITK-UHFFFAOYSA-N 1 2 205.246 1.790 20 30 BDEDLO C=C[C@H](CC)CC(=O)N1CCn2c[nH+]cc2C1 ZINC001336792481 977960465 /nfs/dbraw/zinc/96/04/65/977960465.db2.gz PQDHZCXUPMIKJF-LLVKDONJSA-N 1 2 233.315 1.828 20 30 BDEDLO Cc1nnc(C[NH+]2CCC(S)CC2)s1 ZINC001232245348 977973754 /nfs/dbraw/zinc/97/37/54/977973754.db2.gz UCCYGJJIDMKGBS-UHFFFAOYSA-N 1 2 229.374 1.741 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(OC)cc1C ZINC001232354603 978032888 /nfs/dbraw/zinc/03/28/88/978032888.db2.gz RZCCWHJLIQTFJT-UHFFFAOYSA-N 1 2 228.295 1.467 20 30 BDEDLO CC1(C)CC(=O)C=C(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001176836123 978206964 /nfs/dbraw/zinc/20/69/64/978206964.db2.gz CDGACSBTTBGABZ-UHFFFAOYSA-N 1 2 247.298 1.341 20 30 BDEDLO Cc1coc(NC(=O)CCn2cc[nH+]c2)c1C#N ZINC001176874460 978225340 /nfs/dbraw/zinc/22/53/40/978225340.db2.gz UTTCCVKBBXVWLE-UHFFFAOYSA-N 1 2 244.254 1.685 20 30 BDEDLO CC(C)C[C@](C)(C#N)NC(=O)CCn1cc[nH+]c1 ZINC001176883440 978229423 /nfs/dbraw/zinc/22/94/23/978229423.db2.gz GKMMNRKTTITQBZ-CYBMUJFWSA-N 1 2 248.330 1.718 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CO)c1 ZINC001232674041 978230930 /nfs/dbraw/zinc/23/09/30/978230930.db2.gz QNCXLKFXUOPISE-ZDUSSCGKSA-N 1 2 246.310 1.611 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC001232674041 978230948 /nfs/dbraw/zinc/23/09/48/978230948.db2.gz QNCXLKFXUOPISE-ZDUSSCGKSA-N 1 2 246.310 1.611 20 30 BDEDLO C[C@]1(O)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232675577 978238785 /nfs/dbraw/zinc/23/87/85/978238785.db2.gz QIMKXLJOESJINQ-ZDUSSCGKSA-N 1 2 232.283 1.221 20 30 BDEDLO C[C@]1(O)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232675577 978238792 /nfs/dbraw/zinc/23/87/92/978238792.db2.gz QIMKXLJOESJINQ-ZDUSSCGKSA-N 1 2 232.283 1.221 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC001232674957 978240316 /nfs/dbraw/zinc/24/03/16/978240316.db2.gz ICCQZAPGMMHHLD-BETUJISGSA-N 1 2 244.294 1.342 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC001232674957 978240328 /nfs/dbraw/zinc/24/03/28/978240328.db2.gz ICCQZAPGMMHHLD-BETUJISGSA-N 1 2 244.294 1.342 20 30 BDEDLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232677519 978240569 /nfs/dbraw/zinc/24/05/69/978240569.db2.gz FBLNKYPJAJNAEV-ZWNOBZJWSA-N 1 2 246.310 1.609 20 30 BDEDLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232677519 978240578 /nfs/dbraw/zinc/24/05/78/978240578.db2.gz FBLNKYPJAJNAEV-ZWNOBZJWSA-N 1 2 246.310 1.609 20 30 BDEDLO CC1(C)COCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232679936 978251434 /nfs/dbraw/zinc/25/14/34/978251434.db2.gz VJHVATXVTVNPGJ-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO CC1(C)COCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232679936 978251442 /nfs/dbraw/zinc/25/14/42/978251442.db2.gz VJHVATXVTVNPGJ-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001232922805 978336739 /nfs/dbraw/zinc/33/67/39/978336739.db2.gz LZRPPGIHIKENGD-XDTLVQLUSA-N 1 2 231.274 1.743 20 30 BDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001232922805 978336746 /nfs/dbraw/zinc/33/67/46/978336746.db2.gz LZRPPGIHIKENGD-XDTLVQLUSA-N 1 2 231.274 1.743 20 30 BDEDLO Cc1ccc(C[NH+]2CC(CO)C2)c(C#N)c1 ZINC001232965905 978360546 /nfs/dbraw/zinc/36/05/46/978360546.db2.gz AVMFUXKTMSRYIM-UHFFFAOYSA-N 1 2 216.284 1.291 20 30 BDEDLO N#Cc1cc[nH]c1C[NH+]1CC2(C1)CCOCC2 ZINC001233045686 978425089 /nfs/dbraw/zinc/42/50/89/978425089.db2.gz UHFAJNBOFJEYOA-UHFFFAOYSA-N 1 2 231.299 1.499 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001233044883 978425535 /nfs/dbraw/zinc/42/55/35/978425535.db2.gz WSOPZMQRDMXJDV-PHIMTYICSA-N 1 2 229.283 1.582 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001233044883 978425541 /nfs/dbraw/zinc/42/55/41/978425541.db2.gz WSOPZMQRDMXJDV-PHIMTYICSA-N 1 2 229.283 1.582 20 30 BDEDLO CCN(CCn1cc[nH+]c1)Cc1[nH]ccc1C#N ZINC001233048700 978440307 /nfs/dbraw/zinc/44/03/07/978440307.db2.gz JROPDOIDNIIYPQ-UHFFFAOYSA-N 1 2 243.314 1.605 20 30 BDEDLO CC[N@H+](CCn1ccnc1)Cc1[nH]ccc1C#N ZINC001233048700 978440318 /nfs/dbraw/zinc/44/03/18/978440318.db2.gz JROPDOIDNIIYPQ-UHFFFAOYSA-N 1 2 243.314 1.605 20 30 BDEDLO CC[N@@H+](CCn1ccnc1)Cc1[nH]ccc1C#N ZINC001233048700 978440326 /nfs/dbraw/zinc/44/03/26/978440326.db2.gz JROPDOIDNIIYPQ-UHFFFAOYSA-N 1 2 243.314 1.605 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001233083628 978465682 /nfs/dbraw/zinc/46/56/82/978465682.db2.gz SVLMTFXCPDFDME-KGLIPLIRSA-N 1 2 228.295 1.840 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001233083628 978465688 /nfs/dbraw/zinc/46/56/88/978465688.db2.gz SVLMTFXCPDFDME-KGLIPLIRSA-N 1 2 228.295 1.840 20 30 BDEDLO C=CC[NH+]1CCN(Cc2cc(C)ns2)CC1 ZINC001233311911 978532841 /nfs/dbraw/zinc/53/28/41/978532841.db2.gz OTYAYWSPLQGHML-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO C=CCN1CC[NH+](Cc2cc(C)ns2)CC1 ZINC001233311911 978532851 /nfs/dbraw/zinc/53/28/51/978532851.db2.gz OTYAYWSPLQGHML-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCCC(=O)CC2)c(O)c1 ZINC001233384134 978595354 /nfs/dbraw/zinc/59/53/54/978595354.db2.gz IICHKLPYFSNWFG-UHFFFAOYSA-N 1 2 244.294 1.819 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCCC(=O)CC2)c(O)c1 ZINC001233384134 978595359 /nfs/dbraw/zinc/59/53/59/978595359.db2.gz IICHKLPYFSNWFG-UHFFFAOYSA-N 1 2 244.294 1.819 20 30 BDEDLO C#CC[C@H](CO)[NH2+]Cc1c(F)ccc(O)c1F ZINC001338291032 978652850 /nfs/dbraw/zinc/65/28/50/978652850.db2.gz XHFDCEKMVXFXPB-MRVPVSSYSA-N 1 2 241.237 1.144 20 30 BDEDLO Cc1nc(C#N)c(NC(=O)[C@@H](C)[NH+]2CCCC2)o1 ZINC001180578074 978899842 /nfs/dbraw/zinc/89/98/42/978899842.db2.gz YAXHYRMUZMHUPR-MRVPVSSYSA-N 1 2 248.286 1.278 20 30 BDEDLO N#CCc1ccccc1C[NH+]1CCC(=O)CC1 ZINC001235511052 979060154 /nfs/dbraw/zinc/06/01/54/979060154.db2.gz FWYHPHRFKNMFPF-UHFFFAOYSA-N 1 2 228.295 1.918 20 30 BDEDLO Cc1[nH+]cn(C)c1CN1CCCC[C@@H]1C#N ZINC001235552847 979093869 /nfs/dbraw/zinc/09/38/69/979093869.db2.gz KXNIJIRAYDQNPK-LLVKDONJSA-N 1 2 218.304 1.607 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C(=O)OCC ZINC001181453780 979107406 /nfs/dbraw/zinc/10/74/06/979107406.db2.gz BUNOHSDUDVBWAR-WRWGMCAJSA-N 1 2 239.315 1.119 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(O)c2)CC1 ZINC001236710711 979703671 /nfs/dbraw/zinc/70/36/71/979703671.db2.gz PEULLRGQUCHGJL-UHFFFAOYSA-N 1 2 248.301 1.282 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccccc1OCCO ZINC001237207939 979847925 /nfs/dbraw/zinc/84/79/25/979847925.db2.gz HVULUMOSKPHVTM-UHFFFAOYSA-N 1 2 243.306 1.126 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237612853 979977561 /nfs/dbraw/zinc/97/75/61/979977561.db2.gz DIYRJNPTFOXCPD-UHFFFAOYSA-N 1 2 224.267 1.271 20 30 BDEDLO C#CC[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237612853 979977571 /nfs/dbraw/zinc/97/75/71/979977571.db2.gz DIYRJNPTFOXCPD-UHFFFAOYSA-N 1 2 224.267 1.271 20 30 BDEDLO N#Cc1cc(C[NH+]2CC(C(N)=O)C2)ccc1Cl ZINC001238192874 980218416 /nfs/dbraw/zinc/21/84/16/980218416.db2.gz VWVYMGXNNZJVFX-UHFFFAOYSA-N 1 2 249.701 1.129 20 30 BDEDLO CCc1cc(C[NH+]2CCOCC2)ccc1C#N ZINC001238766976 980320782 /nfs/dbraw/zinc/32/07/82/980320782.db2.gz QVYXDBKXMLVBFX-UHFFFAOYSA-N 1 2 230.311 1.953 20 30 BDEDLO C#CC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001344058801 980333033 /nfs/dbraw/zinc/33/30/33/980333033.db2.gz NPUBKKYIUFMUCY-MNOVXSKESA-N 1 2 220.272 1.789 20 30 BDEDLO C=C(C)Cc1cnn(CC[NH+]2CCOCC2)c1 ZINC001250241634 980374318 /nfs/dbraw/zinc/37/43/18/980374318.db2.gz XPITVHQNYYCAKL-UHFFFAOYSA-N 1 2 235.331 1.334 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CC(C)(C)O1 ZINC001190581167 980891300 /nfs/dbraw/zinc/89/13/00/980891300.db2.gz AMHZEQYGDULIEC-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC(C)(C)O1 ZINC001190581167 980891301 /nfs/dbraw/zinc/89/13/01/980891301.db2.gz AMHZEQYGDULIEC-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001347316140 981046143 /nfs/dbraw/zinc/04/61/43/981046143.db2.gz CZMGSAGAOUNUMI-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001347316140 981046150 /nfs/dbraw/zinc/04/61/50/981046150.db2.gz CZMGSAGAOUNUMI-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCN(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001349466298 981561464 /nfs/dbraw/zinc/56/14/64/981561464.db2.gz BJWZNRWPULUSDD-UHFFFAOYSA-N 1 2 234.303 1.451 20 30 BDEDLO C=C(C)C[C@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC001349632978 981601914 /nfs/dbraw/zinc/60/19/14/981601914.db2.gz MBQZIYHNDBJYGM-NSHDSACASA-N 1 2 241.331 1.653 20 30 BDEDLO CC[C@@H](C#N)N(CC)C(=O)CCCn1cc[nH+]c1 ZINC001349906765 981804493 /nfs/dbraw/zinc/80/44/93/981804493.db2.gz MJQIOTZFGAIYQP-LBPRGKRZSA-N 1 2 248.330 1.814 20 30 BDEDLO C=C(C)c1ccc([C@H]([NH3+])C(=O)OC)cc1 ZINC001240836642 981879177 /nfs/dbraw/zinc/87/91/77/981879177.db2.gz UWTVSURQAALJKK-NSHDSACASA-N 1 2 205.257 1.893 20 30 BDEDLO C[C@@H](C(=O)N1CC[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC001351099936 982201880 /nfs/dbraw/zinc/20/18/80/982201880.db2.gz UNDCJUVCFZEEKW-CMPLNLGQSA-N 1 2 232.287 1.206 20 30 BDEDLO Cc1cc(-c2ccc(C#N)nc2)c[nH+]c1N ZINC001241431945 982571188 /nfs/dbraw/zinc/57/11/88/982571188.db2.gz VTWZFTRHGLABTR-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1csnc1OC ZINC001198122326 982662153 /nfs/dbraw/zinc/66/21/53/982662153.db2.gz FXYRZLMSMIDGHM-SNVBAGLBSA-N 1 2 242.344 1.521 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1csnc1OC ZINC001198122326 982662156 /nfs/dbraw/zinc/66/21/56/982662156.db2.gz FXYRZLMSMIDGHM-SNVBAGLBSA-N 1 2 242.344 1.521 20 30 BDEDLO Cc1nnn([NH+]=CC2CCOCC2)c1C ZINC001353077169 982683951 /nfs/dbraw/zinc/68/39/51/982683951.db2.gz MPAYPUZSZAWECF-UHFFFAOYSA-N 1 2 208.265 1.155 20 30 BDEDLO C=CCNC(=S)Nc1cc[nH+]c(C)c1 ZINC001200285334 982808511 /nfs/dbraw/zinc/80/85/11/982808511.db2.gz SDDCCLKYSVIDKY-UHFFFAOYSA-N 1 2 207.302 1.284 20 30 BDEDLO C#C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001353310950 982832662 /nfs/dbraw/zinc/83/26/62/982832662.db2.gz MYZBCRTYJQOZKL-NSHDSACASA-N 1 2 204.229 1.227 20 30 BDEDLO Cc1cnc(C#N)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201279733 983157308 /nfs/dbraw/zinc/15/73/08/983157308.db2.gz ZFVJTPUFBDYSCG-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO Cc1[nH]c(CNc2ccc(C#N)nn2)[nH+]c1C ZINC001354266922 983238425 /nfs/dbraw/zinc/23/84/25/983238425.db2.gz UTXKBNDGLZARNH-UHFFFAOYSA-N 1 2 228.259 1.300 20 30 BDEDLO Cc1ncc(C#N)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242071091 983304052 /nfs/dbraw/zinc/30/40/52/983304052.db2.gz TUTRJXDNOKEDSC-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1nnccc1C#N ZINC001242070746 983304177 /nfs/dbraw/zinc/30/41/77/983304177.db2.gz KSUFARDOXQZVCR-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO Cc1nc([C@H]2CC[N@H+](CC3(C#N)CC3)C2)no1 ZINC001354916612 983385219 /nfs/dbraw/zinc/38/52/19/983385219.db2.gz VXEZNIJAVCWLIM-JTQLQIEISA-N 1 2 232.287 1.471 20 30 BDEDLO Cc1nc([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)no1 ZINC001354916612 983385223 /nfs/dbraw/zinc/38/52/23/983385223.db2.gz VXEZNIJAVCWLIM-JTQLQIEISA-N 1 2 232.287 1.471 20 30 BDEDLO Cc1c[nH+]c(-c2cccnc2C#N)cc1N ZINC001242309150 983533867 /nfs/dbraw/zinc/53/38/67/983533867.db2.gz NNVLGBOUFWLNJQ-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CC)no1 ZINC000691816459 983798249 /nfs/dbraw/zinc/79/82/49/983798249.db2.gz JSAMSRACHMKTQE-NSHDSACASA-N 1 2 207.277 1.524 20 30 BDEDLO C=C[C@@](C)(O)CNc1cccc2[nH+]c(C)cn21 ZINC001252539276 983805758 /nfs/dbraw/zinc/80/57/58/983805758.db2.gz RTVKQYVJVSCASH-CYBMUJFWSA-N 1 2 231.299 1.992 20 30 BDEDLO C=CCC[C@H](O)CNc1cc[nH+]c(OC)c1 ZINC001252589881 983840033 /nfs/dbraw/zinc/84/00/33/983840033.db2.gz ZWIPWLMCIXLHGE-NSHDSACASA-N 1 2 222.288 1.829 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](COCC)C(C)C)C(=O)OC ZINC000878598111 983963686 /nfs/dbraw/zinc/96/36/86/983963686.db2.gz XIEPHIMBMMJWRG-NEPJUHHUSA-N 1 2 243.347 1.755 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001588732018 984015111 /nfs/dbraw/zinc/01/51/11/984015111.db2.gz UHWQVCDUZSIIPB-QJPTWQEYSA-N 1 2 238.331 1.184 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001588732018 984015119 /nfs/dbraw/zinc/01/51/19/984015119.db2.gz UHWQVCDUZSIIPB-QJPTWQEYSA-N 1 2 238.331 1.184 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001588732018 984015127 /nfs/dbraw/zinc/01/51/27/984015127.db2.gz UHWQVCDUZSIIPB-QJPTWQEYSA-N 1 2 238.331 1.184 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001588732018 984015136 /nfs/dbraw/zinc/01/51/36/984015136.db2.gz UHWQVCDUZSIIPB-QJPTWQEYSA-N 1 2 238.331 1.184 20 30 BDEDLO C=C[C@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001253565408 984222659 /nfs/dbraw/zinc/22/26/59/984222659.db2.gz OEZZGOORUPCIPK-ZDUSSCGKSA-N 1 2 229.283 1.831 20 30 BDEDLO C#Cc1cccc(C[NH+]2CC3(CCN3C)C2)c1 ZINC001276096603 984815592 /nfs/dbraw/zinc/81/55/92/984815592.db2.gz GXUNCTMTKDTIOC-UHFFFAOYSA-N 1 2 226.323 1.558 20 30 BDEDLO CCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001257307338 984878896 /nfs/dbraw/zinc/87/88/96/984878896.db2.gz JJBVICOTPNQUGP-SFYZADRCSA-N 1 2 205.323 1.236 20 30 BDEDLO N#Cc1ncc(F)cc1-c1ccc[nH+]c1N ZINC001243474301 985023018 /nfs/dbraw/zinc/02/30/18/985023018.db2.gz KDOCHTQBIAGWET-UHFFFAOYSA-N 1 2 214.203 1.737 20 30 BDEDLO N#CCc1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243473990 985025362 /nfs/dbraw/zinc/02/53/62/985025362.db2.gz QQNFBRIURDJDGK-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO CCc1cn(CC(=O)N[C@](C)(C#N)C(C)C)c[nH+]1 ZINC001459257585 985423237 /nfs/dbraw/zinc/42/32/37/985423237.db2.gz ANDFCNQVGUSZCL-CYBMUJFWSA-N 1 2 248.330 1.500 20 30 BDEDLO N#Cc1ccc(C2=C[NH2+]CCC2)nc1F ZINC001243948608 985630176 /nfs/dbraw/zinc/63/01/76/985630176.db2.gz BABXKFNFHBLUIZ-UHFFFAOYSA-N 1 2 203.220 1.817 20 30 BDEDLO C#Cc1cc(NC2=CC[C@H](OC)CC2)cc[nH+]1 ZINC001212872250 985818485 /nfs/dbraw/zinc/81/84/85/985818485.db2.gz QVRBGWZCDOAAIO-AWEZNQCLSA-N 1 2 228.295 1.980 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001038031409 986267197 /nfs/dbraw/zinc/26/71/97/986267197.db2.gz RPQSCUYXFZDVKK-LBPRGKRZSA-N 1 2 246.310 1.415 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001038031409 986267208 /nfs/dbraw/zinc/26/72/08/986267208.db2.gz RPQSCUYXFZDVKK-LBPRGKRZSA-N 1 2 246.310 1.415 20 30 BDEDLO C=CCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097716381 986646169 /nfs/dbraw/zinc/64/61/69/986646169.db2.gz SOUXMZJTFZFKTG-SNVBAGLBSA-N 1 2 248.330 1.668 20 30 BDEDLO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC001254639882 986690332 /nfs/dbraw/zinc/69/03/32/986690332.db2.gz YCIRFVVLQJHVKI-WOPDTQHZSA-N 1 2 238.331 1.856 20 30 BDEDLO CCOC(=O)C[N@H+](C1CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254676100 986726036 /nfs/dbraw/zinc/72/60/36/986726036.db2.gz IUYBNRLERUTREM-ZYHUDNBSSA-N 1 2 236.315 1.706 20 30 BDEDLO CCOC(=O)C[N@@H+](C1CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254676100 986726039 /nfs/dbraw/zinc/72/60/39/986726039.db2.gz IUYBNRLERUTREM-ZYHUDNBSSA-N 1 2 236.315 1.706 20 30 BDEDLO Cc1ccc(C#N)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001465628183 986732586 /nfs/dbraw/zinc/73/25/86/986732586.db2.gz ZRPXJVPGQNYPNB-UHFFFAOYSA-N 1 2 240.266 1.771 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc(-n2ccnn2)cc1 ZINC001137359201 986827242 /nfs/dbraw/zinc/82/72/42/986827242.db2.gz NUSMXLREUDXMDN-UHFFFAOYSA-N 1 2 241.298 1.613 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc(-n2ccnn2)cc1 ZINC001137359201 986827248 /nfs/dbraw/zinc/82/72/48/986827248.db2.gz NUSMXLREUDXMDN-UHFFFAOYSA-N 1 2 241.298 1.613 20 30 BDEDLO CCCCCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC001473531948 987468865 /nfs/dbraw/zinc/46/88/65/987468865.db2.gz FMCMFDKTOASUPR-ZDUSSCGKSA-N 1 2 245.363 1.861 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116914849 987756408 /nfs/dbraw/zinc/75/64/08/987756408.db2.gz GWRXVEWAVYZEBR-WDEREUQCSA-N 1 2 221.304 1.915 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001480092135 987943456 /nfs/dbraw/zinc/94/34/56/987943456.db2.gz LDFNNMNVBPLPQM-MCIONIFRSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001480092135 987943463 /nfs/dbraw/zinc/94/34/63/987943463.db2.gz LDFNNMNVBPLPQM-MCIONIFRSA-N 1 2 248.370 1.731 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001480340634 987967265 /nfs/dbraw/zinc/96/72/65/987967265.db2.gz JUQVHIFQOVSTRS-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CC(C)(C)CC(=O)NCC1C[NH+](CCF)C1 ZINC001494555034 988160103 /nfs/dbraw/zinc/16/01/03/988160103.db2.gz HFRINCAIKNXPMY-UHFFFAOYSA-N 1 2 242.338 1.606 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001323198939 988472999 /nfs/dbraw/zinc/47/29/99/988472999.db2.gz MBYKPQXZNCHVFR-QWZJGYIASA-N 1 2 241.722 1.089 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001323198939 988473006 /nfs/dbraw/zinc/47/30/06/988473006.db2.gz MBYKPQXZNCHVFR-QWZJGYIASA-N 1 2 241.722 1.089 20 30 BDEDLO N#CCc1cccc(NCCn2cc[nH+]c2)n1 ZINC001324085070 988695136 /nfs/dbraw/zinc/69/51/36/988695136.db2.gz JNQSJUOAEFGYKY-UHFFFAOYSA-N 1 2 227.271 1.456 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(C)sn2)CC1 ZINC001249588436 989316603 /nfs/dbraw/zinc/31/66/03/989316603.db2.gz GNWJLWXJKMLMMF-UHFFFAOYSA-N 1 2 235.356 1.202 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCC#N ZINC001326744796 989681192 /nfs/dbraw/zinc/68/11/92/989681192.db2.gz VDAKDPRETGMPHX-SNVBAGLBSA-N 1 2 234.303 1.398 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCC#N ZINC001326744796 989681205 /nfs/dbraw/zinc/68/12/05/989681205.db2.gz VDAKDPRETGMPHX-SNVBAGLBSA-N 1 2 234.303 1.398 20 30 BDEDLO O=C(Cc1c[nH]c[nH+]1)NCC#Cc1ccccc1 ZINC001540551328 990624243 /nfs/dbraw/zinc/62/42/43/990624243.db2.gz WDXZOKUFMLVBJS-UHFFFAOYSA-N 1 2 239.278 1.120 20 30 BDEDLO C=C(C)CNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001123622990 990631753 /nfs/dbraw/zinc/63/17/53/990631753.db2.gz VXNLRIKACUKYGC-UHFFFAOYSA-N 1 2 248.330 1.889 20 30 BDEDLO C=CCONC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001556633699 990840775 /nfs/dbraw/zinc/84/07/75/990840775.db2.gz QBZKDNYCPNITSU-UHFFFAOYSA-N 1 2 243.266 1.720 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138128449 990885807 /nfs/dbraw/zinc/88/58/07/990885807.db2.gz KTIAAPFPBJNJBC-VIFPVBQESA-N 1 2 220.247 1.877 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138128449 990885811 /nfs/dbraw/zinc/88/58/11/990885811.db2.gz KTIAAPFPBJNJBC-VIFPVBQESA-N 1 2 220.247 1.877 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccn(CC)n1)[C@@H]1CCCO1 ZINC001308377334 990979986 /nfs/dbraw/zinc/97/99/86/990979986.db2.gz DOLJKHZGPPDNRA-STQMWFEESA-N 1 2 233.315 1.173 20 30 BDEDLO CCCn1ncc(C[NH+]2CC(CC#N)C2)c1C ZINC001138636558 990994669 /nfs/dbraw/zinc/99/46/69/990994669.db2.gz GXKSXUWOOPCNEK-UHFFFAOYSA-N 1 2 232.331 1.947 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(F)cc(F)c1O ZINC001308606089 991061303 /nfs/dbraw/zinc/06/13/03/991061303.db2.gz XWJNKZCYPYFWPU-UHFFFAOYSA-N 1 2 235.233 1.739 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccncc2O)C1 ZINC001140276842 991584985 /nfs/dbraw/zinc/58/49/85/991584985.db2.gz MSYSNNOULPLBGZ-VIFPVBQESA-N 1 2 203.245 1.133 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccncc2O)C1 ZINC001140276842 991584997 /nfs/dbraw/zinc/58/49/97/991584997.db2.gz MSYSNNOULPLBGZ-VIFPVBQESA-N 1 2 203.245 1.133 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cn(C2CC2)cn1 ZINC001560808244 991606039 /nfs/dbraw/zinc/60/60/39/991606039.db2.gz UYJCLQRDVHNFCK-UHFFFAOYSA-N 1 2 235.331 1.852 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cn(C2CC2)cn1 ZINC001560808244 991606042 /nfs/dbraw/zinc/60/60/42/991606042.db2.gz UYJCLQRDVHNFCK-UHFFFAOYSA-N 1 2 235.331 1.852 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318097338 991623820 /nfs/dbraw/zinc/62/38/20/991623820.db2.gz UKWHFLBXDHYQBR-GHMZBOCLSA-N 1 2 234.303 1.452 20 30 BDEDLO C#CCCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319098756 991788678 /nfs/dbraw/zinc/78/86/78/991788678.db2.gz NWWODHZCXRTYIM-NSHDSACASA-N 1 2 219.288 1.364 20 30 BDEDLO C#CC1(O)C[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001474738664 991851801 /nfs/dbraw/zinc/85/18/01/991851801.db2.gz VWSIQQVYFRASCZ-UONOGXRCSA-N 1 2 227.307 1.470 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001569353905 992370101 /nfs/dbraw/zinc/37/01/01/992370101.db2.gz NABBKRBMLCQVSG-GHMZBOCLSA-N 1 2 242.388 1.505 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001569353905 992370110 /nfs/dbraw/zinc/37/01/10/992370110.db2.gz NABBKRBMLCQVSG-GHMZBOCLSA-N 1 2 242.388 1.505 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](OCC)C1CC1 ZINC001261798389 992517078 /nfs/dbraw/zinc/51/70/78/992517078.db2.gz KBXCTJODRSNAQK-QWHCGFSZSA-N 1 2 223.316 1.136 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](OCC)C1CC1 ZINC001261798389 992517084 /nfs/dbraw/zinc/51/70/84/992517084.db2.gz KBXCTJODRSNAQK-QWHCGFSZSA-N 1 2 223.316 1.136 20 30 BDEDLO CN1C[C@H](C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)OC1=O ZINC001262017759 992606937 /nfs/dbraw/zinc/60/69/37/992606937.db2.gz LEIXGMIYYIBWBJ-OUAUKWLOSA-N 1 2 237.303 1.061 20 30 BDEDLO CN1C[C@H](C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)OC1=O ZINC001262017759 992606943 /nfs/dbraw/zinc/60/69/43/992606943.db2.gz LEIXGMIYYIBWBJ-OUAUKWLOSA-N 1 2 237.303 1.061 20 30 BDEDLO C=CC(C)(C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC001262020764 992609781 /nfs/dbraw/zinc/60/97/81/992609781.db2.gz KWGQUONRVTZXDQ-UHFFFAOYSA-N 1 2 233.315 1.828 20 30 BDEDLO C#CC[N@H+](CN1C(=O)CC1(C)C)C(C)C ZINC001262168056 992739348 /nfs/dbraw/zinc/73/93/48/992739348.db2.gz JUMOFPYOSKYIHB-UHFFFAOYSA-N 1 2 208.305 1.298 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)CC1(C)C)C(C)C ZINC001262168056 992739353 /nfs/dbraw/zinc/73/93/53/992739353.db2.gz JUMOFPYOSKYIHB-UHFFFAOYSA-N 1 2 208.305 1.298 20 30 BDEDLO COCn1ncc(C)c1C[NH2+]C[C@@H](C)C#N ZINC001262364733 992861198 /nfs/dbraw/zinc/86/11/98/992861198.db2.gz GXDBVMBNNVNDBM-VIFPVBQESA-N 1 2 222.292 1.045 20 30 BDEDLO CC#CC[N@@H+](C)Cc1c(C)cnn1COC ZINC001262376245 992868747 /nfs/dbraw/zinc/86/87/47/992868747.db2.gz KHUJRNBBMZRSHJ-UHFFFAOYSA-N 1 2 221.304 1.251 20 30 BDEDLO CC#CC[N@H+](C)Cc1c(C)cnn1COC ZINC001262376245 992868752 /nfs/dbraw/zinc/86/87/52/992868752.db2.gz KHUJRNBBMZRSHJ-UHFFFAOYSA-N 1 2 221.304 1.251 20 30 BDEDLO C#CCn1cc(C[NH2+]C[C@@H](C#N)CCC#N)cn1 ZINC001262572941 992928480 /nfs/dbraw/zinc/92/84/80/992928480.db2.gz IORCMTVJXCLYGL-GFCCVEGCSA-N 1 2 241.298 1.049 20 30 BDEDLO Cc1[nH]c(CNc2ccncc2C#N)[nH+]c1C ZINC001262705158 993046990 /nfs/dbraw/zinc/04/69/90/993046990.db2.gz ALKCRPMHYKRWMX-UHFFFAOYSA-N 1 2 227.271 1.327 20 30 BDEDLO N#CCC1(O)C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001307709138 995440730 /nfs/dbraw/zinc/44/07/30/995440730.db2.gz BWIKFCNITDGSRD-JTQLQIEISA-N 1 2 244.285 1.772 20 30 BDEDLO CC(C)C[C@@H](C(=O)NCC#N)n1cc[nH+]c1 ZINC000602085481 349433565 /nfs/dbraw/zinc/43/35/65/349433565.db2.gz HFYYPOFDUBZSON-JTQLQIEISA-N 1 2 220.276 1.110 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@@](C)(C#N)CC)[nH+]1 ZINC000602086724 349434463 /nfs/dbraw/zinc/43/44/63/349434463.db2.gz QNDWBVOOJPSXDI-GFCCVEGCSA-N 1 2 234.303 1.323 20 30 BDEDLO C=CC(C)(C)CCNC(=O)Cc1c[nH+]cn1C ZINC000628314282 349448994 /nfs/dbraw/zinc/44/89/94/349448994.db2.gz TZBMBIXXNYSUSY-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602159336 349465462 /nfs/dbraw/zinc/46/54/62/349465462.db2.gz QXLDSOYKUZETNJ-NXEZZACHSA-N 1 2 246.314 1.569 20 30 BDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602159336 349465464 /nfs/dbraw/zinc/46/54/64/349465464.db2.gz QXLDSOYKUZETNJ-NXEZZACHSA-N 1 2 246.314 1.569 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC=CCC1 ZINC000602333762 349509033 /nfs/dbraw/zinc/50/90/33/349509033.db2.gz PDUYNSONPFIAEY-AWEZNQCLSA-N 1 2 249.358 1.693 20 30 BDEDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCOC1 ZINC000328807413 398212015 /nfs/dbraw/zinc/21/20/15/398212015.db2.gz IIBJMXXYXSOKPO-VIFPVBQESA-N 1 2 223.276 1.478 20 30 BDEDLO C#CCN(CC#C)Cc1cn2c(cccc2C)[nH+]1 ZINC000076185791 398226254 /nfs/dbraw/zinc/22/62/54/398226254.db2.gz BPTWGDBOPCNVFU-UHFFFAOYSA-N 1 2 237.306 1.711 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OC)cc1 ZINC000076185249 398226720 /nfs/dbraw/zinc/22/67/20/398226720.db2.gz SIWAFNXSZJDYKM-UHFFFAOYSA-N 1 2 241.290 1.542 20 30 BDEDLO C#CC[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000073368527 343987016 /nfs/dbraw/zinc/98/70/16/343987016.db2.gz PKBZZYCVQXCMPK-UHFFFAOYSA-N 1 2 235.356 1.202 20 30 BDEDLO C#C[C@@H](C)N(C)c1nc[nH+]c(N)c1Cl ZINC000306278827 259308923 /nfs/dbraw/zinc/30/89/23/259308923.db2.gz XARTVFUZWVSQKH-ZCFIWIBFSA-N 1 2 210.668 1.170 20 30 BDEDLO Cc1ccc(N[C@@H](C)Cn2cc[nH+]c2)nc1C#N ZINC000357323939 178360831 /nfs/dbraw/zinc/36/08/31/178360831.db2.gz IBIIVVMFJKMYLY-NSHDSACASA-N 1 2 241.298 1.381 20 30 BDEDLO Cc1ccc(C[NH+]2CCN(CC#N)CC2)c(F)c1 ZINC000602455394 349553395 /nfs/dbraw/zinc/55/33/95/349553395.db2.gz RXMYWNXABGVLSX-UHFFFAOYSA-N 1 2 247.317 1.775 20 30 BDEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCO[C@@H](C#N)C1 ZINC000602462391 349556870 /nfs/dbraw/zinc/55/68/70/349556870.db2.gz BFHLJMUQLGLYFP-NWDGAFQWSA-N 1 2 246.314 1.096 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000091670683 178364317 /nfs/dbraw/zinc/36/43/17/178364317.db2.gz IDEUEQHZIACXMH-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000091670683 178364322 /nfs/dbraw/zinc/36/43/22/178364322.db2.gz IDEUEQHZIACXMH-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO N#CCC1C[NH+](Cc2cnc3ccccc3n2)C1 ZINC000600180639 342697213 /nfs/dbraw/zinc/69/72/13/342697213.db2.gz MSGBNUVNUZMNEJ-UHFFFAOYSA-N 1 2 238.294 1.975 20 30 BDEDLO CC(=O)N1CC[N@H+](CC2(C#N)CCC2)C(C)(C)C1 ZINC000336264205 342795492 /nfs/dbraw/zinc/79/54/92/342795492.db2.gz WPRLVKGLHXCJPA-UHFFFAOYSA-N 1 2 249.358 1.623 20 30 BDEDLO CC(=O)N1CC[N@@H+](CC2(C#N)CCC2)C(C)(C)C1 ZINC000336264205 342795494 /nfs/dbraw/zinc/79/54/94/342795494.db2.gz WPRLVKGLHXCJPA-UHFFFAOYSA-N 1 2 249.358 1.623 20 30 BDEDLO Cc1nnsc1C[NH2+]CC(C)(C)C#N ZINC000394707120 342815323 /nfs/dbraw/zinc/81/53/23/342815323.db2.gz ABEBVGGLPVHQAX-UHFFFAOYSA-N 1 2 210.306 1.486 20 30 BDEDLO C=C(C)C[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000348776162 136238943 /nfs/dbraw/zinc/23/89/43/136238943.db2.gz PBPSOGIDMMWYEK-LBPRGKRZSA-N 1 2 241.331 1.510 20 30 BDEDLO COC(=O)c1csc(C[NH2+]C[C@@H](C)C#N)c1 ZINC000602607022 349629113 /nfs/dbraw/zinc/62/91/13/349629113.db2.gz FPPPKQYQRLCHOO-QMMMGPOBSA-N 1 2 238.312 1.784 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(C2CC2)no1 ZINC000602608626 349631631 /nfs/dbraw/zinc/63/16/31/349631631.db2.gz UPPXDKNAWTYHDT-QMMMGPOBSA-N 1 2 205.261 1.944 20 30 BDEDLO Cc1cc(NC(=O)CC2(C#N)CC2)cc[nH+]1 ZINC000590242933 346875214 /nfs/dbraw/zinc/87/52/14/346875214.db2.gz FHGMQRFLRVPUHO-UHFFFAOYSA-N 1 2 215.256 1.444 20 30 BDEDLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCOC1 ZINC000329690574 136247951 /nfs/dbraw/zinc/24/79/51/136247951.db2.gz BPBBXWZZIWCLCE-LBPRGKRZSA-N 1 2 237.303 1.725 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@@H](CC)C1CC1)C(=O)OC ZINC000602644212 349656293 /nfs/dbraw/zinc/65/62/93/349656293.db2.gz WVQHKPQORLPVHA-NWDGAFQWSA-N 1 2 241.331 1.509 20 30 BDEDLO Cc1csc(=O)n1CC[N@@H+](C)[C@@H](C)CC#N ZINC000129543000 398340340 /nfs/dbraw/zinc/34/03/40/398340340.db2.gz OHCRMSVLPUCCQO-VIFPVBQESA-N 1 2 239.344 1.452 20 30 BDEDLO Cc1csc(=O)n1CC[N@H+](C)[C@@H](C)CC#N ZINC000129543000 398340341 /nfs/dbraw/zinc/34/03/41/398340341.db2.gz OHCRMSVLPUCCQO-VIFPVBQESA-N 1 2 239.344 1.452 20 30 BDEDLO Cc1ncc([C@H](C)[NH+]2CC(CC#N)C2)c(C)n1 ZINC000602710789 349703154 /nfs/dbraw/zinc/70/31/54/349703154.db2.gz YZKMYMLFQBPQJL-JTQLQIEISA-N 1 2 230.315 2.000 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](O)CC2)n1 ZINC000354728399 187211638 /nfs/dbraw/zinc/21/16/38/187211638.db2.gz GZHCVTLTGVJMNT-SNVBAGLBSA-N 1 2 237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](O)CC2)n1 ZINC000354728399 187211640 /nfs/dbraw/zinc/21/16/40/187211640.db2.gz GZHCVTLTGVJMNT-SNVBAGLBSA-N 1 2 237.328 1.362 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000602735156 349719963 /nfs/dbraw/zinc/71/99/63/349719963.db2.gz SWZAKHAQOMMLFN-ZJUUUORDSA-N 1 2 229.345 1.589 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000602735652 349720674 /nfs/dbraw/zinc/72/06/74/349720674.db2.gz YWBMZMOPTBPOGW-GHMZBOCLSA-N 1 2 243.372 1.979 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000602735656 349720775 /nfs/dbraw/zinc/72/07/75/349720775.db2.gz YWBMZMOPTBPOGW-QWRGUYRKSA-N 1 2 243.372 1.979 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@@H]1SC)C(=O)OC ZINC000602739586 349709342 /nfs/dbraw/zinc/70/93/42/349709342.db2.gz QVLOTPICQDZPNF-DCAQKATOSA-N 1 2 243.372 1.978 20 30 BDEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000162466599 349715191 /nfs/dbraw/zinc/71/51/91/349715191.db2.gz RLAWUZAMYAAQAY-CYBMUJFWSA-N 1 2 220.316 1.975 20 30 BDEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000162466599 349715192 /nfs/dbraw/zinc/71/51/92/349715192.db2.gz RLAWUZAMYAAQAY-CYBMUJFWSA-N 1 2 220.316 1.975 20 30 BDEDLO CC[C@](C)([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000602801895 349741942 /nfs/dbraw/zinc/74/19/42/349741942.db2.gz VLUSARKAVNQKAK-NSHDSACASA-N 1 2 224.304 1.612 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000602771392 349725947 /nfs/dbraw/zinc/72/59/47/349725947.db2.gz IPKJZUYWYQNTSD-CMPLNLGQSA-N 1 2 235.331 1.231 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000602771392 349725948 /nfs/dbraw/zinc/72/59/48/349725948.db2.gz IPKJZUYWYQNTSD-CMPLNLGQSA-N 1 2 235.331 1.231 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602791339 349734816 /nfs/dbraw/zinc/73/48/16/349734816.db2.gz FJHCFLLPIMXKJE-JTQLQIEISA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602791339 349734819 /nfs/dbraw/zinc/73/48/19/349734819.db2.gz FJHCFLLPIMXKJE-JTQLQIEISA-N 1 2 224.304 1.564 20 30 BDEDLO N#CCC1(C[N@@H+]2CCOC[C@]23CCOC3)CC1 ZINC000602829907 349766222 /nfs/dbraw/zinc/76/62/22/349766222.db2.gz WBXVBZXXDXIRHJ-CYBMUJFWSA-N 1 2 236.315 1.172 20 30 BDEDLO N#CCC1(C[N@H+]2CCOC[C@]23CCOC3)CC1 ZINC000602829907 349766224 /nfs/dbraw/zinc/76/62/24/349766224.db2.gz WBXVBZXXDXIRHJ-CYBMUJFWSA-N 1 2 236.315 1.172 20 30 BDEDLO CCN1CC[N@H+](CC2(CC#N)CC2)C(C)(C)C1=O ZINC000602810091 349754370 /nfs/dbraw/zinc/75/43/70/349754370.db2.gz CKROLBBGKXDLQX-UHFFFAOYSA-N 1 2 249.358 1.623 20 30 BDEDLO CCN1CC[N@@H+](CC2(CC#N)CC2)C(C)(C)C1=O ZINC000602810091 349754374 /nfs/dbraw/zinc/75/43/74/349754374.db2.gz CKROLBBGKXDLQX-UHFFFAOYSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000602862850 349774823 /nfs/dbraw/zinc/77/48/23/349774823.db2.gz KHJKVOZCYYFDIX-QJPTWQEYSA-N 1 2 237.347 1.573 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCc2ncnn21 ZINC000602838790 349777384 /nfs/dbraw/zinc/77/73/84/349777384.db2.gz SDDTZXYXDDMZCH-NSHDSACASA-N 1 2 231.303 1.167 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCc2ncnn21 ZINC000602838790 349777387 /nfs/dbraw/zinc/77/73/87/349777387.db2.gz SDDTZXYXDDMZCH-NSHDSACASA-N 1 2 231.303 1.167 20 30 BDEDLO CCN(C#N)CC[N@H+](C)CC(C)(C)C#N ZINC000602832911 349768791 /nfs/dbraw/zinc/76/87/91/349768791.db2.gz UCVVMLFGPBJSCW-UHFFFAOYSA-N 1 2 208.309 1.271 20 30 BDEDLO CCN(C#N)CC[N@@H+](C)CC(C)(C)C#N ZINC000602832911 349768794 /nfs/dbraw/zinc/76/87/94/349768794.db2.gz UCVVMLFGPBJSCW-UHFFFAOYSA-N 1 2 208.309 1.271 20 30 BDEDLO C#CC[N@@H+]([C@H](C)C(=O)OCCCC)C1CC1 ZINC000491619259 346921135 /nfs/dbraw/zinc/92/11/35/346921135.db2.gz MBSNDGVBIGLSQM-LLVKDONJSA-N 1 2 223.316 1.816 20 30 BDEDLO C#CC[N@H+]([C@H](C)C(=O)OCCCC)C1CC1 ZINC000491619259 346921138 /nfs/dbraw/zinc/92/11/38/346921138.db2.gz MBSNDGVBIGLSQM-LLVKDONJSA-N 1 2 223.316 1.816 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H](C)N1CC#N ZINC000602850593 349785703 /nfs/dbraw/zinc/78/57/03/349785703.db2.gz QWBXZOXKVBBQLV-PHIMTYICSA-N 1 2 234.303 1.093 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccon2)C[C@H](C)N1CC#N ZINC000602850593 349785705 /nfs/dbraw/zinc/78/57/05/349785705.db2.gz QWBXZOXKVBBQLV-PHIMTYICSA-N 1 2 234.303 1.093 20 30 BDEDLO C[C@@H]1C[NH+](CC2(C#N)CC2)C[C@@H](C)N1CC#N ZINC000602853432 349786929 /nfs/dbraw/zinc/78/69/29/349786929.db2.gz IRUOGWGLPCDBNT-VXGBXAGGSA-N 1 2 232.331 1.208 20 30 BDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CC#CC)c1 ZINC000172756254 187227626 /nfs/dbraw/zinc/22/76/26/187227626.db2.gz BTWDVJRJKVBYAW-UHFFFAOYSA-N 1 2 240.306 1.562 20 30 BDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CC#CC)c1 ZINC000172756254 187227628 /nfs/dbraw/zinc/22/76/28/187227628.db2.gz BTWDVJRJKVBYAW-UHFFFAOYSA-N 1 2 240.306 1.562 20 30 BDEDLO CNc1ccc(Nc2nccnc2C#N)c[nH+]1 ZINC000301187664 136264802 /nfs/dbraw/zinc/26/48/02/136264802.db2.gz QFBZWXNKAYNVRI-UHFFFAOYSA-N 1 2 226.243 1.529 20 30 BDEDLO C=C(Cl)CNC(=O)CCn1cc[nH+]c1 ZINC000265479465 187234481 /nfs/dbraw/zinc/23/44/81/187234481.db2.gz CLYUCZCXYFIVDM-UHFFFAOYSA-N 1 2 213.668 1.142 20 30 BDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264822342 187235064 /nfs/dbraw/zinc/23/50/64/187235064.db2.gz DQTWSVUEFFDHIS-CYBMUJFWSA-N 1 2 246.285 1.496 20 30 BDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264822342 187235066 /nfs/dbraw/zinc/23/50/66/187235066.db2.gz DQTWSVUEFFDHIS-CYBMUJFWSA-N 1 2 246.285 1.496 20 30 BDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](C)CC)nn1 ZINC000640941799 362083298 /nfs/dbraw/zinc/08/32/98/362083298.db2.gz FXNKAKGDDNTKLJ-NSHDSACASA-N 1 2 220.320 1.437 20 30 BDEDLO C#CCC(CC#C)C(=O)NCCCn1cc[nH+]c1 ZINC000277554194 187238999 /nfs/dbraw/zinc/23/89/99/187238999.db2.gz SYLJNYZHOBWAKQ-UHFFFAOYSA-N 1 2 243.310 1.052 20 30 BDEDLO CC[C@H](NC(=O)CSCC#N)c1[nH]cc[nH+]1 ZINC000125319958 136271517 /nfs/dbraw/zinc/27/15/17/136271517.db2.gz CGJVDERRKZHZMO-QMMMGPOBSA-N 1 2 238.316 1.234 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000279043113 187240712 /nfs/dbraw/zinc/24/07/12/187240712.db2.gz OQYAXHJIBPJNOL-MWLCHTKSSA-N 1 2 235.287 1.007 20 30 BDEDLO Cc1[nH]c(C(=O)NCCCCC#N)c[nH+]1 ZINC000264959482 136281537 /nfs/dbraw/zinc/28/15/37/136281537.db2.gz WEVVNCYKNDYNLA-UHFFFAOYSA-N 1 2 206.249 1.142 20 30 BDEDLO N#CCC[N@@H+](Cc1cc(=O)c(O)co1)CC1CC1 ZINC000266956473 136281655 /nfs/dbraw/zinc/28/16/55/136281655.db2.gz VSTTYNQYEVTGNF-UHFFFAOYSA-N 1 2 248.282 1.471 20 30 BDEDLO N#CCC[N@H+](Cc1cc(=O)c(O)co1)CC1CC1 ZINC000266956473 136281656 /nfs/dbraw/zinc/28/16/56/136281656.db2.gz VSTTYNQYEVTGNF-UHFFFAOYSA-N 1 2 248.282 1.471 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609170878 343325443 /nfs/dbraw/zinc/32/54/43/343325443.db2.gz WDGNNIHOSXWJMD-GFCCVEGCSA-N 1 2 248.330 1.718 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131061 343312541 /nfs/dbraw/zinc/31/25/41/343312541.db2.gz HFPJPKWFNKUKQD-LLVKDONJSA-N 1 2 246.314 1.596 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC/C=C/CC)nn1 ZINC000641065629 362173052 /nfs/dbraw/zinc/17/30/52/362173052.db2.gz IRBJUPQNRIKRBP-FNORWQNLSA-N 1 2 232.331 1.747 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC1CCCC1 ZINC000299197256 343394864 /nfs/dbraw/zinc/39/48/64/343394864.db2.gz FHNGARLPNCMQRO-LBPRGKRZSA-N 1 2 232.327 1.002 20 30 BDEDLO C=CCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367084875 136333198 /nfs/dbraw/zinc/33/31/98/136333198.db2.gz OETLCQUUEGXMQU-ZDUSSCGKSA-N 1 2 245.326 1.521 20 30 BDEDLO C[C@](O)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000329344679 136365212 /nfs/dbraw/zinc/36/52/12/136365212.db2.gz BQLDVENCHBBWMD-GXFFZTMASA-N 1 2 249.314 1.315 20 30 BDEDLO C[C@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329438074 136365743 /nfs/dbraw/zinc/36/57/43/136365743.db2.gz MHBLBWQIBMQIGR-RNCFNFMXSA-N 1 2 249.314 1.650 20 30 BDEDLO C[C@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329438074 136365744 /nfs/dbraw/zinc/36/57/44/136365744.db2.gz MHBLBWQIBMQIGR-RNCFNFMXSA-N 1 2 249.314 1.650 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccnc(C#N)n1 ZINC000310541881 343528006 /nfs/dbraw/zinc/52/80/06/343528006.db2.gz RDEIRVZYZHARJV-VIFPVBQESA-N 1 2 228.259 1.045 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902144 349816344 /nfs/dbraw/zinc/81/63/44/349816344.db2.gz HKYVCVPEZGYQIR-JSGCOSHPSA-N 1 2 247.342 1.375 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902144 349816347 /nfs/dbraw/zinc/81/63/47/349816347.db2.gz HKYVCVPEZGYQIR-JSGCOSHPSA-N 1 2 247.342 1.375 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCc2cnccn2)C1 ZINC000602902119 349816698 /nfs/dbraw/zinc/81/66/98/349816698.db2.gz GRDMNXLFGJYGEZ-LBPRGKRZSA-N 1 2 216.288 1.255 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCc2cnccn2)C1 ZINC000602902119 349816702 /nfs/dbraw/zinc/81/67/02/349816702.db2.gz GRDMNXLFGJYGEZ-LBPRGKRZSA-N 1 2 216.288 1.255 20 30 BDEDLO C=CCC(C)(C)C[NH2+][C@@H](C=C)C(=O)OC ZINC000380023971 343671186 /nfs/dbraw/zinc/67/11/86/343671186.db2.gz NGDZKUZLSJVQIH-JTQLQIEISA-N 1 2 211.305 1.906 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000119212137 343675266 /nfs/dbraw/zinc/67/52/66/343675266.db2.gz KASMPFPGMYQMDC-QWRGUYRKSA-N 1 2 229.320 1.101 20 30 BDEDLO Cc1nccnc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981345 349830903 /nfs/dbraw/zinc/83/09/03/349830903.db2.gz BREKEHFBPKHZAE-YPMHNXCESA-N 1 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249.339 1.898 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)C1(C#N)CCCCC1 ZINC000291182215 349880102 /nfs/dbraw/zinc/88/01/02/349880102.db2.gz JSZZWNIRAPSEKB-UHFFFAOYSA-N 1 2 246.314 1.510 20 30 BDEDLO CNC(=O)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000067446283 343895721 /nfs/dbraw/zinc/89/57/21/343895721.db2.gz XEPCTWKHUAHIJD-LLVKDONJSA-N 1 2 245.326 1.638 20 30 BDEDLO CNC(=O)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000067446283 343895724 /nfs/dbraw/zinc/89/57/24/343895724.db2.gz XEPCTWKHUAHIJD-LLVKDONJSA-N 1 2 245.326 1.638 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000335117740 343929432 /nfs/dbraw/zinc/92/94/32/343929432.db2.gz MYQFXBYGSFZFOO-MNOVXSKESA-N 1 2 219.263 1.986 20 30 BDEDLO Cc1cc(NC[C@@H]2CC23CC3)c(C#N)c[nH+]1 ZINC000335120341 343929719 /nfs/dbraw/zinc/92/97/19/343929719.db2.gz XMRDYSINEASJKW-NSHDSACASA-N 1 2 213.284 1.896 20 30 BDEDLO Cc1ccnc(NCC[NH+]2CCOCC2)c1C#N ZINC000157933629 344125817 /nfs/dbraw/zinc/12/58/17/344125817.db2.gz ZAYJPRNUDIQBMB-UHFFFAOYSA-N 1 2 246.314 1.006 20 30 BDEDLO Cc1nsc(-n2c[nH+]c(CCCO)c2)c1C#N ZINC000588818486 344193994 /nfs/dbraw/zinc/19/39/94/344193994.db2.gz VIARGBNUNFHKEJ-UHFFFAOYSA-N 1 2 248.311 1.434 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](C)CC(C)(C)C#N ZINC000590372230 347038753 /nfs/dbraw/zinc/03/87/53/347038753.db2.gz XFAWFSOQKMFPNH-UHFFFAOYSA-N 1 2 234.347 1.964 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000590372230 347038754 /nfs/dbraw/zinc/03/87/54/347038754.db2.gz XFAWFSOQKMFPNH-UHFFFAOYSA-N 1 2 234.347 1.964 20 30 BDEDLO C=CCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000584301393 344438144 /nfs/dbraw/zinc/43/81/44/344438144.db2.gz SIHBGGCQJXCSPI-SECBINFHSA-N 1 2 207.277 1.943 20 30 BDEDLO COc1cc(C[NH2+]Cc2ccon2)ccc1C#N ZINC000234931335 344483502 /nfs/dbraw/zinc/48/35/02/344483502.db2.gz LOPBLUKSXMLCNC-UHFFFAOYSA-N 1 2 243.266 1.845 20 30 BDEDLO C[C@H]1C[NH+](Cc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000068765389 344492758 /nfs/dbraw/zinc/49/27/58/344492758.db2.gz FRQSTBFLOCCRTJ-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068765749 344493564 /nfs/dbraw/zinc/49/35/64/344493564.db2.gz FNRQGXPHEIFKIU-JTQLQIEISA-N 1 2 217.272 1.174 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000068765749 344493565 /nfs/dbraw/zinc/49/35/65/344493565.db2.gz FNRQGXPHEIFKIU-JTQLQIEISA-N 1 2 217.272 1.174 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000381475081 344510543 /nfs/dbraw/zinc/51/05/43/344510543.db2.gz QFSCLJLUXPZDTL-GARJFASQSA-N 1 2 227.304 1.119 20 30 BDEDLO Cc1noc([C@H](C)[NH2+]CC2(CC#N)CC2)n1 ZINC000381481400 344511556 /nfs/dbraw/zinc/51/15/56/344511556.db2.gz STWAKWGPCWQBAI-QMMMGPOBSA-N 1 2 220.276 1.723 20 30 BDEDLO C=CCCOCCNc1cc(CO)cc[nH+]1 ZINC000641463123 362434106 /nfs/dbraw/zinc/43/41/06/362434106.db2.gz ILJQHMPSLDPVNL-UHFFFAOYSA-N 1 2 222.288 1.579 20 30 BDEDLO C=CCCOCCNc1cc[nH+]cc1F ZINC000641464078 362434229 /nfs/dbraw/zinc/43/42/29/362434229.db2.gz PYKVPDBPRJDTIB-UHFFFAOYSA-N 1 2 210.252 1.647 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000127709589 344612302 /nfs/dbraw/zinc/61/23/02/344612302.db2.gz PSHJAGFYVCULLE-UHFFFAOYSA-N 1 2 226.239 1.842 20 30 BDEDLO C=CCCCCNc1cc(CO)cc[nH+]1 ZINC000641495582 362461456 /nfs/dbraw/zinc/46/14/56/362461456.db2.gz FZFKYOHVRQDRRL-UHFFFAOYSA-N 1 2 206.289 1.764 20 30 BDEDLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000259636168 344676378 /nfs/dbraw/zinc/67/63/78/344676378.db2.gz AQDJZXQCZFSBOT-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000259636168 344676384 /nfs/dbraw/zinc/67/63/84/344676384.db2.gz AQDJZXQCZFSBOT-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626025513 344678097 /nfs/dbraw/zinc/67/80/97/344678097.db2.gz BOIRDXAJPCDQLV-UHFFFAOYSA-N 1 2 246.310 1.053 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025513 344678100 /nfs/dbraw/zinc/67/81/00/344678100.db2.gz BOIRDXAJPCDQLV-UHFFFAOYSA-N 1 2 246.310 1.053 20 30 BDEDLO Cc1cc(NC(=O)CSCC#N)cc[nH+]1 ZINC000112298301 344641371 /nfs/dbraw/zinc/64/13/71/344641371.db2.gz WPROZVIHQVXUSE-UHFFFAOYSA-N 1 2 221.285 1.585 20 30 BDEDLO N#Cc1nnc2ccccc2c1-n1cc[nH+]c1 ZINC000077187638 344810321 /nfs/dbraw/zinc/81/03/21/344810321.db2.gz UXUAQPJCRAJCSX-UHFFFAOYSA-N 1 2 221.223 1.687 20 30 BDEDLO Cc1cc(NC(=O)N[C@@H](C)CC#N)cc[nH+]1 ZINC000120462338 344891419 /nfs/dbraw/zinc/89/14/19/344891419.db2.gz PIWAJZRUGKTKSL-QMMMGPOBSA-N 1 2 218.260 1.814 20 30 BDEDLO NC(CCO)=[NH+]O[C@H]1CCCc2ccccc21 ZINC000121375553 344922726 /nfs/dbraw/zinc/92/27/26/344922726.db2.gz FKPNKJUFNINPAR-LBPRGKRZSA-N 1 2 234.299 1.735 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154221201 345021352 /nfs/dbraw/zinc/02/13/52/345021352.db2.gz GXBWKYNTWMWBKH-UHFFFAOYSA-N 1 2 201.697 1.994 20 30 BDEDLO C=C(Cl)C[N@H+]1CCOC2(CCC2)C1 ZINC000154221201 345021353 /nfs/dbraw/zinc/02/13/53/345021353.db2.gz GXBWKYNTWMWBKH-UHFFFAOYSA-N 1 2 201.697 1.994 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1F ZINC000641639336 362567423 /nfs/dbraw/zinc/56/74/23/362567423.db2.gz CEBNYWRNFKMSQX-CABZTGNLSA-N 1 2 222.263 1.646 20 30 BDEDLO Cc1cc(NCC[C@H](C)F)c(C#N)c[nH+]1 ZINC000425274335 192087137 /nfs/dbraw/zinc/08/71/37/192087137.db2.gz ZQHBPJRTEMSNOM-QMMMGPOBSA-N 1 2 207.252 1.844 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000248235660 345354373 /nfs/dbraw/zinc/35/43/73/345354373.db2.gz MMWPNFDVWBJWHS-UHFFFAOYSA-N 1 2 234.299 1.614 20 30 BDEDLO C=CCOCCCNc1cc[nH+]cc1F ZINC000641659100 362583980 /nfs/dbraw/zinc/58/39/80/362583980.db2.gz LYQPREKSRLCBTF-UHFFFAOYSA-N 1 2 210.252 1.647 20 30 BDEDLO CC[N@H+](CCC#N)CCn1c(C)csc1=O ZINC000081513774 345482715 /nfs/dbraw/zinc/48/27/15/345482715.db2.gz SWYZRKUYRXDSLO-UHFFFAOYSA-N 1 2 239.344 1.454 20 30 BDEDLO CC[N@@H+](CCC#N)CCn1c(C)csc1=O ZINC000081513774 345482716 /nfs/dbraw/zinc/48/27/16/345482716.db2.gz SWYZRKUYRXDSLO-UHFFFAOYSA-N 1 2 239.344 1.454 20 30 BDEDLO CC#CC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090631708 345573590 /nfs/dbraw/zinc/57/35/90/345573590.db2.gz FAJWKMGKOXELNI-UHFFFAOYSA-N 1 2 233.290 1.366 20 30 BDEDLO C=CCOCCn1ncc2c1nc[nH+]c2NC ZINC000418945570 192090589 /nfs/dbraw/zinc/09/05/89/192090589.db2.gz PYKKWAXREWVEMS-UHFFFAOYSA-N 1 2 233.275 1.071 20 30 BDEDLO C=C(CC)Cn1cc[nH+]c1CN1CCOCC1 ZINC000641724708 362640665 /nfs/dbraw/zinc/64/06/65/362640665.db2.gz HLOYJJNGDXRSRS-UHFFFAOYSA-N 1 2 235.331 1.682 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635585223 345880351 /nfs/dbraw/zinc/88/03/51/345880351.db2.gz ULRCEICCCJXCAH-GHMZBOCLSA-N 1 2 233.315 1.938 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635585223 345880354 /nfs/dbraw/zinc/88/03/54/345880354.db2.gz ULRCEICCCJXCAH-GHMZBOCLSA-N 1 2 233.315 1.938 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2S[C@@H](C#N)C1CC1 ZINC000601074963 346013872 /nfs/dbraw/zinc/01/38/72/346013872.db2.gz HHJJWQMTKQNOLK-VIFPVBQESA-N 1 2 245.311 1.758 20 30 BDEDLO COC(=O)c1ccc(C[NH2+][C@H](C)CC#N)o1 ZINC000381763447 346025539 /nfs/dbraw/zinc/02/55/39/346025539.db2.gz UOSLABBRZXSDRA-MRVPVSSYSA-N 1 2 222.244 1.458 20 30 BDEDLO C=CC[C@H](CC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635891828 346103210 /nfs/dbraw/zinc/10/32/10/346103210.db2.gz PFRVIJNMKASSOQ-JTQLQIEISA-N 1 2 235.331 1.986 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cnccn1 ZINC000070025811 349964534 /nfs/dbraw/zinc/96/45/34/349964534.db2.gz FJMQDTFIURTQKP-ZJUUUORDSA-N 1 2 204.277 1.819 20 30 BDEDLO C=C[C@H]([NH2+]CCCC(F)(F)F)C(=O)OC ZINC000301047441 346574144 /nfs/dbraw/zinc/57/41/44/346574144.db2.gz PORSBGSYVFYWHN-ZETCQYMHSA-N 1 2 225.210 1.646 20 30 BDEDLO C=C(C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563547829 323129772 /nfs/dbraw/zinc/12/97/72/323129772.db2.gz QCDUUXJYMSAOES-VIFPVBQESA-N 1 2 207.277 1.281 20 30 BDEDLO C=C(C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563547829 323129773 /nfs/dbraw/zinc/12/97/73/323129773.db2.gz QCDUUXJYMSAOES-VIFPVBQESA-N 1 2 207.277 1.281 20 30 BDEDLO C=CCN(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000590040108 346766529 /nfs/dbraw/zinc/76/65/29/346766529.db2.gz BOJNUWGORCKTTE-UHFFFAOYSA-N 1 2 246.314 1.592 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC(C)(C)C ZINC000589826918 346741875 /nfs/dbraw/zinc/74/18/75/346741875.db2.gz FGIKQZXXCPRNAM-GFCCVEGCSA-N 1 2 225.336 1.383 20 30 BDEDLO Cn1c(Cl)cnc1C[N@H+](C)CCCC#N ZINC000183294231 347124435 /nfs/dbraw/zinc/12/44/35/347124435.db2.gz RBXORXZXAPZZMH-UHFFFAOYSA-N 1 2 226.711 1.809 20 30 BDEDLO Cn1c(Cl)cnc1C[N@@H+](C)CCCC#N ZINC000183294231 347124438 /nfs/dbraw/zinc/12/44/38/347124438.db2.gz RBXORXZXAPZZMH-UHFFFAOYSA-N 1 2 226.711 1.809 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601270346 347130823 /nfs/dbraw/zinc/13/08/23/347130823.db2.gz WHVDWSLZDPEBEG-UHFFFAOYSA-N 1 2 244.298 1.418 20 30 BDEDLO C[C@H](c1ccncn1)[NH+]1CCN(CCC#N)CC1 ZINC000601317037 347200581 /nfs/dbraw/zinc/20/05/81/347200581.db2.gz UOQMDRLMVJQTLM-GFCCVEGCSA-N 1 2 245.330 1.069 20 30 BDEDLO CC[C@@H](Nc1ccnc(C#N)n1)c1[nH]cc[nH+]1 ZINC000310128566 347235521 /nfs/dbraw/zinc/23/55/21/347235521.db2.gz GXWFPIZFKIFPMN-MRVPVSSYSA-N 1 2 228.259 1.635 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)CCCn1cc[nH+]c1 ZINC000590493391 347405425 /nfs/dbraw/zinc/40/54/25/347405425.db2.gz ADDZAUMMAOSGRM-UHFFFAOYSA-N 1 2 248.330 1.671 20 30 BDEDLO COC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000192040088 347366647 /nfs/dbraw/zinc/36/66/47/347366647.db2.gz WQKVCZFJKULWQP-HNNXBMFYSA-N 1 2 245.322 1.385 20 30 BDEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000192040088 347366648 /nfs/dbraw/zinc/36/66/48/347366648.db2.gz WQKVCZFJKULWQP-HNNXBMFYSA-N 1 2 245.322 1.385 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921572 347451287 /nfs/dbraw/zinc/45/12/87/347451287.db2.gz WLTSOGMRCJCSGI-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921572 347451290 /nfs/dbraw/zinc/45/12/90/347451290.db2.gz WLTSOGMRCJCSGI-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO Cn1ncc2c1nc(NCCCCC#N)[nH+]c2N ZINC000195263674 347446043 /nfs/dbraw/zinc/44/60/43/347446043.db2.gz DJPYHRBXATUCSS-UHFFFAOYSA-N 1 2 245.290 1.051 20 30 BDEDLO C=CCOCC[NH2+][C@H](C)c1nnc(C)o1 ZINC000380102919 365880465 /nfs/dbraw/zinc/88/04/65/365880465.db2.gz MKIGPANLFQKKGU-MRVPVSSYSA-N 1 2 211.265 1.231 20 30 BDEDLO COCCN(CC#N)CCCc1ccc(C)[nH+]c1 ZINC000590781334 347535269 /nfs/dbraw/zinc/53/52/69/347535269.db2.gz NLQDDNVWYGDAQW-UHFFFAOYSA-N 1 2 247.342 1.795 20 30 BDEDLO C=CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334441693 347617943 /nfs/dbraw/zinc/61/79/43/347617943.db2.gz BWBSCNNKWONYOK-UHFFFAOYSA-N 1 2 234.303 1.485 20 30 BDEDLO Cc1cc(N(C)C2CC(O)C2)c(C#N)c[nH+]1 ZINC000591823808 347701392 /nfs/dbraw/zinc/70/13/92/347701392.db2.gz WDAYJDFZADXPLS-UHFFFAOYSA-N 1 2 217.272 1.221 20 30 BDEDLO C=C(CC)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493378580 347767853 /nfs/dbraw/zinc/76/78/53/347767853.db2.gz DIMVAVNQXQCPFZ-VOTSOKGWSA-N 1 2 233.315 1.999 20 30 BDEDLO COCC1([N@H+](C)Cc2ccncc2C#N)CC1 ZINC000592086860 347730778 /nfs/dbraw/zinc/73/07/78/347730778.db2.gz QPPREDQRHSFQEI-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO COCC1([N@@H+](C)Cc2ccncc2C#N)CC1 ZINC000592086860 347730781 /nfs/dbraw/zinc/73/07/81/347730781.db2.gz QPPREDQRHSFQEI-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@@H]1C ZINC000592122519 347737375 /nfs/dbraw/zinc/73/73/75/347737375.db2.gz LZBUJSQWQKXBCE-NXEZZACHSA-N 1 2 201.273 1.793 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@@H]1C ZINC000592122519 347737377 /nfs/dbraw/zinc/73/73/77/347737377.db2.gz LZBUJSQWQKXBCE-NXEZZACHSA-N 1 2 201.273 1.793 20 30 BDEDLO N#CC1(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC000592130264 347739629 /nfs/dbraw/zinc/73/96/29/347739629.db2.gz DHDWZULIIHAFRA-JTQLQIEISA-N 1 2 241.285 1.315 20 30 BDEDLO N#CC1(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC000592130264 347739632 /nfs/dbraw/zinc/73/96/32/347739632.db2.gz DHDWZULIIHAFRA-JTQLQIEISA-N 1 2 241.285 1.315 20 30 BDEDLO Cc1cnc(C[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592151934 347743145 /nfs/dbraw/zinc/74/31/45/347743145.db2.gz SAIYWILYSZMNCE-LLVKDONJSA-N 1 2 237.328 1.302 20 30 BDEDLO Cc1cnc(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592151934 347743148 /nfs/dbraw/zinc/74/31/48/347743148.db2.gz SAIYWILYSZMNCE-LLVKDONJSA-N 1 2 237.328 1.302 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)CCSC ZINC000592202584 347754932 /nfs/dbraw/zinc/75/49/32/347754932.db2.gz ONWVDVMWMKUHMM-VIFPVBQESA-N 1 2 217.334 1.399 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)CCSC ZINC000592202584 347754935 /nfs/dbraw/zinc/75/49/35/347754935.db2.gz ONWVDVMWMKUHMM-VIFPVBQESA-N 1 2 217.334 1.399 20 30 BDEDLO C=C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)OC ZINC000593079563 347850684 /nfs/dbraw/zinc/85/06/84/347850684.db2.gz DXHPSYNPHKMXSL-JTQLQIEISA-N 1 2 209.289 1.636 20 30 BDEDLO Cn1cc[nH+]c1CN1Cc2cccc(C#N)c2C1 ZINC000593123836 347863704 /nfs/dbraw/zinc/86/37/04/347863704.db2.gz YDXVNMSBPINKEY-UHFFFAOYSA-N 1 2 238.294 1.808 20 30 BDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000593154509 347866540 /nfs/dbraw/zinc/86/65/40/347866540.db2.gz YVWGBOKKXNIUMB-GXFFZTMASA-N 1 2 249.314 1.343 20 30 BDEDLO Cc1noc(C[N@@H+](C)[C@@H](C)CCC#N)n1 ZINC000594055447 348009865 /nfs/dbraw/zinc/00/98/65/348009865.db2.gz LBMDMUZJOIQPOB-QMMMGPOBSA-N 1 2 208.265 1.502 20 30 BDEDLO Cc1noc(C[N@H+](C)[C@@H](C)CCC#N)n1 ZINC000594055447 348009866 /nfs/dbraw/zinc/00/98/66/348009866.db2.gz LBMDMUZJOIQPOB-QMMMGPOBSA-N 1 2 208.265 1.502 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057785 323174906 /nfs/dbraw/zinc/17/49/06/323174906.db2.gz YMWAUZWMZGVIQQ-SNVBAGLBSA-N 1 2 234.299 1.158 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057785 323174907 /nfs/dbraw/zinc/17/49/07/323174907.db2.gz YMWAUZWMZGVIQQ-SNVBAGLBSA-N 1 2 234.299 1.158 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)C#N ZINC000594341677 348036810 /nfs/dbraw/zinc/03/68/10/348036810.db2.gz QMYRHGDRQFRPFU-VIFPVBQESA-N 1 2 234.303 1.254 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)C#N ZINC000594341677 348036814 /nfs/dbraw/zinc/03/68/14/348036814.db2.gz QMYRHGDRQFRPFU-VIFPVBQESA-N 1 2 234.303 1.254 20 30 BDEDLO C=C[C@H]([NH2+]CCCC1CCC1)C(=O)OC ZINC000594726425 348107562 /nfs/dbraw/zinc/10/75/62/348107562.db2.gz MAYARTJUZVQZST-NSHDSACASA-N 1 2 211.305 1.884 20 30 BDEDLO COC(=O)c1cc(C[NH2+]C[C@@H](C)C#N)c(C)o1 ZINC000594605469 348080457 /nfs/dbraw/zinc/08/04/57/348080457.db2.gz BBAGWPIQMANKGY-QMMMGPOBSA-N 1 2 236.271 1.624 20 30 BDEDLO COCC[N@@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000595334961 348220647 /nfs/dbraw/zinc/22/06/47/348220647.db2.gz TZIPPMUFENAHKP-JTQLQIEISA-N 1 2 248.273 1.273 20 30 BDEDLO COCC[N@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000595334961 348220649 /nfs/dbraw/zinc/22/06/49/348220649.db2.gz TZIPPMUFENAHKP-JTQLQIEISA-N 1 2 248.273 1.273 20 30 BDEDLO CO[C@@H](C[NH+]1CC(C)(C#N)C1)C1CCC1 ZINC000595466327 348257579 /nfs/dbraw/zinc/25/75/79/348257579.db2.gz KPUHZSYVLBAISJ-NSHDSACASA-N 1 2 208.305 1.647 20 30 BDEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC2(C#N)CC2)n1 ZINC000595525788 348270970 /nfs/dbraw/zinc/27/09/70/348270970.db2.gz IAWCJLBTZSTTQT-UHFFFAOYSA-N 1 2 246.314 1.619 20 30 BDEDLO COC[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)OC ZINC000595559093 348280580 /nfs/dbraw/zinc/28/05/80/348280580.db2.gz DSTNRNMHNYEMLF-CYBMUJFWSA-N 1 2 246.310 1.535 20 30 BDEDLO COC[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)OC ZINC000595559093 348280581 /nfs/dbraw/zinc/28/05/81/348280581.db2.gz DSTNRNMHNYEMLF-CYBMUJFWSA-N 1 2 246.310 1.535 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595701253 348307482 /nfs/dbraw/zinc/30/74/82/348307482.db2.gz FGMOADVZBCOFBC-GFCCVEGCSA-N 1 2 247.273 1.212 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595701253 348307485 /nfs/dbraw/zinc/30/74/85/348307485.db2.gz FGMOADVZBCOFBC-GFCCVEGCSA-N 1 2 247.273 1.212 20 30 BDEDLO C[C@@H](C#N)N(Cc1cn(C)c[nH+]1)C1CC1 ZINC000595710052 348322121 /nfs/dbraw/zinc/32/21/21/348322121.db2.gz MSEVJENHQKKBBY-VIFPVBQESA-N 1 2 204.277 1.297 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000595808311 348349077 /nfs/dbraw/zinc/34/90/77/348349077.db2.gz CNVVLUMSMRWOBG-IUCAKERBSA-N 1 2 219.313 1.857 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000595808311 348349078 /nfs/dbraw/zinc/34/90/78/348349078.db2.gz CNVVLUMSMRWOBG-IUCAKERBSA-N 1 2 219.313 1.857 20 30 BDEDLO COc1cc[nH+]c(CN([C@H](C)C#N)C2CC2)c1 ZINC000595714250 348325338 /nfs/dbraw/zinc/32/53/38/348325338.db2.gz QLPWFTGRVAXROJ-SNVBAGLBSA-N 1 2 231.299 1.967 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756033 348330494 /nfs/dbraw/zinc/33/04/94/348330494.db2.gz BZSZMPWVVXJSMZ-SMDDNHRTSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756033 348330497 /nfs/dbraw/zinc/33/04/97/348330497.db2.gz BZSZMPWVVXJSMZ-SMDDNHRTSA-N 1 2 246.285 1.654 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595774233 348337277 /nfs/dbraw/zinc/33/72/77/348337277.db2.gz FRWCWZIQRYBZKX-ZYHUDNBSSA-N 1 2 247.310 1.194 20 30 BDEDLO C=C(CC)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595775686 348337927 /nfs/dbraw/zinc/33/79/27/348337927.db2.gz PVUNJNAIMHBAIA-LLVKDONJSA-N 1 2 217.284 1.834 20 30 BDEDLO CCCCNC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835584 348368911 /nfs/dbraw/zinc/36/89/11/348368911.db2.gz SDBYFTOXMYRFLC-GFCCVEGCSA-N 1 2 223.320 1.138 20 30 BDEDLO CCCCNC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835584 348368913 /nfs/dbraw/zinc/36/89/13/348368913.db2.gz SDBYFTOXMYRFLC-GFCCVEGCSA-N 1 2 223.320 1.138 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836428 348369774 /nfs/dbraw/zinc/36/97/74/348369774.db2.gz ZKBPGUAQOKEHLQ-DGCLKSJQSA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836428 348369777 /nfs/dbraw/zinc/36/97/77/348369777.db2.gz ZKBPGUAQOKEHLQ-DGCLKSJQSA-N 1 2 237.347 1.383 20 30 BDEDLO Cc1noc(CCC[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595840331 348373510 /nfs/dbraw/zinc/37/35/10/348373510.db2.gz NRKYJKOKVBHDHR-LBPRGKRZSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1noc(CCC[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595840331 348373511 /nfs/dbraw/zinc/37/35/11/348373511.db2.gz NRKYJKOKVBHDHR-LBPRGKRZSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1nocc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840622 348374463 /nfs/dbraw/zinc/37/44/63/348374463.db2.gz CDUMHBIQNVZUIN-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1nocc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840622 348374465 /nfs/dbraw/zinc/37/44/65/348374465.db2.gz CDUMHBIQNVZUIN-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000595841991 348377121 /nfs/dbraw/zinc/37/71/21/348377121.db2.gz BJEOEMWBUBPRHT-BDAKNGLRSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000595841991 348377124 /nfs/dbraw/zinc/37/71/24/348377124.db2.gz BJEOEMWBUBPRHT-BDAKNGLRSA-N 1 2 236.237 1.535 20 30 BDEDLO CCn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595843069 348379914 /nfs/dbraw/zinc/37/99/14/348379914.db2.gz YBQLQKULIKCJOA-GFCCVEGCSA-N 1 2 218.304 1.639 20 30 BDEDLO CCn1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595843069 348379915 /nfs/dbraw/zinc/37/99/15/348379915.db2.gz YBQLQKULIKCJOA-GFCCVEGCSA-N 1 2 218.304 1.639 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595845067 348353833 /nfs/dbraw/zinc/35/38/33/348353833.db2.gz YHCXSRYXYNXBDD-AAEUAGOBSA-N 1 2 233.315 1.009 20 30 BDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595845067 348353836 /nfs/dbraw/zinc/35/38/36/348353836.db2.gz YHCXSRYXYNXBDD-AAEUAGOBSA-N 1 2 233.315 1.009 20 30 BDEDLO CN(C(=O)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000385968172 362918055 /nfs/dbraw/zinc/91/80/55/362918055.db2.gz PQQCLUZVGJJTSY-UHFFFAOYSA-N 1 2 240.266 1.418 20 30 BDEDLO CCN(Cc1[nH+]ccc(OC)c1OC)[C@@H](C)C#N ZINC000595820846 348362248 /nfs/dbraw/zinc/36/22/48/348362248.db2.gz PLFXKDSXZQADGL-JTQLQIEISA-N 1 2 249.314 1.833 20 30 BDEDLO N#CCC[NH+]1CCC(c2ccon2)CC1 ZINC000595830697 348365704 /nfs/dbraw/zinc/36/57/04/348365704.db2.gz AJCBPQVJNBTCRA-UHFFFAOYSA-N 1 2 205.261 1.768 20 30 BDEDLO C[C@]1(C(F)F)C[N@H+](CCCC#N)CCO1 ZINC000595919279 348401136 /nfs/dbraw/zinc/40/11/36/348401136.db2.gz VSJCZQUBHYBPMS-SNVBAGLBSA-N 1 2 218.247 1.646 20 30 BDEDLO C[C@]1(C(F)F)C[N@@H+](CCCC#N)CCO1 ZINC000595919279 348401138 /nfs/dbraw/zinc/40/11/38/348401138.db2.gz VSJCZQUBHYBPMS-SNVBAGLBSA-N 1 2 218.247 1.646 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(SCC)CC1)C(=O)OC ZINC000596044127 348428644 /nfs/dbraw/zinc/42/86/44/348428644.db2.gz AONYRBBWATVOJT-SECBINFHSA-N 1 2 229.345 1.589 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCOC1(C)C)C(=O)OC ZINC000596051908 348433580 /nfs/dbraw/zinc/43/35/80/348433580.db2.gz QZIXWBCUAXFJBJ-ZJUUUORDSA-N 1 2 227.304 1.119 20 30 BDEDLO Cc1ccc(C#N)nc1NCCn1cc[nH+]c1 ZINC000596058737 348435160 /nfs/dbraw/zinc/43/51/60/348435160.db2.gz ANVYEJFNUYUDRA-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1nccn1C ZINC000596069105 348437217 /nfs/dbraw/zinc/43/72/17/348437217.db2.gz JVAOXTHAXGRMNU-QWRGUYRKSA-N 1 2 231.303 1.514 20 30 BDEDLO C[C@H](NC[C@H](C#N)CCC#N)c1[nH+]ccn1C ZINC000596069105 348437220 /nfs/dbraw/zinc/43/72/20/348437220.db2.gz JVAOXTHAXGRMNU-QWRGUYRKSA-N 1 2 231.303 1.514 20 30 BDEDLO CCc1nc(C#N)cc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000596132909 348447162 /nfs/dbraw/zinc/44/71/62/348447162.db2.gz SXNTVOZOXVTWLO-UHFFFAOYSA-N 1 2 242.286 1.270 20 30 BDEDLO C[C@H]1C[C@H](Nc2ccc(C#N)nn2)c2[nH+]ccn21 ZINC000596257330 348476653 /nfs/dbraw/zinc/47/66/53/348476653.db2.gz MTQDMEJEQCFDHQ-WPRPVWTQSA-N 1 2 240.270 1.085 20 30 BDEDLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)c(C#N)cn1 ZINC000596542596 348583500 /nfs/dbraw/zinc/58/35/00/348583500.db2.gz MGSYNUYKGNQQTL-SNVBAGLBSA-N 1 2 241.298 1.590 20 30 BDEDLO C[C@H](Nc1ncc(C#N)cc1F)c1[nH+]ccn1C ZINC000596542197 348583729 /nfs/dbraw/zinc/58/37/29/348583729.db2.gz KIKDIFVRHRVRCM-QMMMGPOBSA-N 1 2 245.261 1.999 20 30 BDEDLO Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)c(C#N)c[nH+]1 ZINC000596479809 348556299 /nfs/dbraw/zinc/55/62/99/348556299.db2.gz KWYLGALIZIBCKS-OCCSQVGLSA-N 1 2 243.310 1.734 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000597009444 348650031 /nfs/dbraw/zinc/65/00/31/348650031.db2.gz QIRZFPBIHNEJGC-JTQLQIEISA-N 1 2 246.314 1.665 20 30 BDEDLO Cc1ncsc1C[NH+]1CC(CC#N)C1 ZINC000597192897 348670575 /nfs/dbraw/zinc/67/05/75/348670575.db2.gz AAOZLSUVFHTPAW-UHFFFAOYSA-N 1 2 207.302 1.797 20 30 BDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC#N)C1CC1 ZINC000596916471 348633697 /nfs/dbraw/zinc/63/36/97/348633697.db2.gz OPCKSEXVGDHAPK-GHMZBOCLSA-N 1 2 244.298 1.038 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000596949205 348639509 /nfs/dbraw/zinc/63/95/09/348639509.db2.gz VSHYYADOVYOFCD-VIFPVBQESA-N 1 2 244.298 1.077 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000596949205 348639511 /nfs/dbraw/zinc/63/95/11/348639511.db2.gz VSHYYADOVYOFCD-VIFPVBQESA-N 1 2 244.298 1.077 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000597361061 348722879 /nfs/dbraw/zinc/72/28/79/348722879.db2.gz NGPIQCXPVQBRJF-SNVBAGLBSA-N 1 2 246.314 1.665 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000597361061 348722882 /nfs/dbraw/zinc/72/28/82/348722882.db2.gz NGPIQCXPVQBRJF-SNVBAGLBSA-N 1 2 246.314 1.665 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cn1 ZINC000308822172 348711982 /nfs/dbraw/zinc/71/19/82/348711982.db2.gz CJFCQXVIQFFYIO-VIFPVBQESA-N 1 2 200.245 1.345 20 30 BDEDLO C[C@@H](CC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000597599828 348767097 /nfs/dbraw/zinc/76/70/97/348767097.db2.gz OCNXJXIEFYHNRE-VIFPVBQESA-N 1 2 228.255 1.823 20 30 BDEDLO CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H](C)C#N ZINC000598361897 348947460 /nfs/dbraw/zinc/94/74/60/348947460.db2.gz RWIRKEYVRYHPEP-SECBINFHSA-N 1 2 220.276 1.103 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000054181426 348896165 /nfs/dbraw/zinc/89/61/65/348896165.db2.gz PGJOJWDLPIPUAD-QMMMGPOBSA-N 1 2 222.244 1.315 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000054181423 348896648 /nfs/dbraw/zinc/89/66/48/348896648.db2.gz PGJOJWDLPIPUAD-MRVPVSSYSA-N 1 2 222.244 1.315 20 30 BDEDLO C#CCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000372944665 348929157 /nfs/dbraw/zinc/92/91/57/348929157.db2.gz YJNZNFURFDZUPR-NSHDSACASA-N 1 2 231.299 1.877 20 30 BDEDLO C[C@@H](NC(=O)C1(C#N)CCC1)c1[nH+]ccn1C ZINC000598459624 348976729 /nfs/dbraw/zinc/97/67/29/348976729.db2.gz JMEQEIPDPBAHCO-SECBINFHSA-N 1 2 232.287 1.291 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000598895101 349059552 /nfs/dbraw/zinc/05/95/52/349059552.db2.gz SBTUCZKGLDZZOS-VHSXEESVSA-N 1 2 211.309 1.183 20 30 BDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1 ZINC000599159969 349109109 /nfs/dbraw/zinc/10/91/09/349109109.db2.gz JALLRTFMLZBUGG-CYBMUJFWSA-N 1 2 231.299 1.301 20 30 BDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1 ZINC000599159969 349109112 /nfs/dbraw/zinc/10/91/12/349109112.db2.gz JALLRTFMLZBUGG-CYBMUJFWSA-N 1 2 231.299 1.301 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC#N)CC2 ZINC000599751300 349254726 /nfs/dbraw/zinc/25/47/26/349254726.db2.gz SHHRRKYNBQIXHN-NSHDSACASA-N 1 2 246.314 1.174 20 30 BDEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[C@H]1C#N ZINC000601820400 349353155 /nfs/dbraw/zinc/35/31/55/349353155.db2.gz OIPMDFWFWRNSEH-CMPLNLGQSA-N 1 2 246.314 1.113 20 30 BDEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCC[C@@H]1C#N ZINC000601820403 349353248 /nfs/dbraw/zinc/35/32/48/349353248.db2.gz OIPMDFWFWRNSEH-PWSUYJOCSA-N 1 2 246.314 1.113 20 30 BDEDLO CN1CCCC[C@H]([N@H+](C)CC2(C#N)CC2)C1=O ZINC000601970717 349407992 /nfs/dbraw/zinc/40/79/92/349407992.db2.gz PEINQWLOCYBABX-NSHDSACASA-N 1 2 235.331 1.233 20 30 BDEDLO CN1CCCC[C@H]([N@@H+](C)CC2(C#N)CC2)C1=O ZINC000601970717 349407995 /nfs/dbraw/zinc/40/79/95/349407995.db2.gz PEINQWLOCYBABX-NSHDSACASA-N 1 2 235.331 1.233 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)NCc1c[nH+]cn1C ZINC000290943146 349378583 /nfs/dbraw/zinc/37/85/83/349378583.db2.gz AHKJYYNUSOQSMY-UHFFFAOYSA-N 1 2 244.254 1.123 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(CC#N)C2CC2)[nH+]1 ZINC000602079895 349430175 /nfs/dbraw/zinc/43/01/75/349430175.db2.gz IOTCDQUUDUGCJE-UHFFFAOYSA-N 1 2 232.287 1.029 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602082147 349430975 /nfs/dbraw/zinc/43/09/75/349430975.db2.gz ASIYQEHNNRYQFQ-IVZWLZJFSA-N 1 2 232.287 1.131 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602082147 349430980 /nfs/dbraw/zinc/43/09/80/349430980.db2.gz ASIYQEHNNRYQFQ-IVZWLZJFSA-N 1 2 232.287 1.131 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H]1CC)C(=O)OC ZINC000309139533 350080179 /nfs/dbraw/zinc/08/01/79/350080179.db2.gz GVXAVBOGXYGTGE-GARJFASQSA-N 1 2 211.305 1.882 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000152146948 191068792 /nfs/dbraw/zinc/06/87/92/191068792.db2.gz NUGPALWZMAGVNQ-QWRGUYRKSA-N 1 2 212.337 1.653 20 30 BDEDLO Cc1ccn2c(CN3CC(C)(C#N)C3)c[nH+]c2c1 ZINC000335168595 350295442 /nfs/dbraw/zinc/29/54/42/350295442.db2.gz HSCXJJNQALOAFV-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1ccccn1 ZINC000304201681 350365646 /nfs/dbraw/zinc/36/56/46/350365646.db2.gz CYRUVVPODKWBMO-LBPRGKRZSA-N 1 2 234.299 1.284 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1ccccn1 ZINC000304201681 350365647 /nfs/dbraw/zinc/36/56/47/350365647.db2.gz CYRUVVPODKWBMO-LBPRGKRZSA-N 1 2 234.299 1.284 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nccc(C)n1 ZINC000336670797 350435057 /nfs/dbraw/zinc/43/50/57/350435057.db2.gz WWUNZJQRRZPHDV-UHFFFAOYSA-N 1 2 221.304 1.419 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nccc(C)n1 ZINC000336670797 350435061 /nfs/dbraw/zinc/43/50/61/350435061.db2.gz WWUNZJQRRZPHDV-UHFFFAOYSA-N 1 2 221.304 1.419 20 30 BDEDLO O=C(Nc1cnns1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330095165 350454826 /nfs/dbraw/zinc/45/48/26/350454826.db2.gz UZBAITPYYDXPET-ZETCQYMHSA-N 1 2 249.299 1.585 20 30 BDEDLO C=C[C@@H]([NH2+]CC(C)(C)COCC)C(=O)OC ZINC000309486719 350575907 /nfs/dbraw/zinc/57/59/07/350575907.db2.gz XFILIPNSYAOCPU-SNVBAGLBSA-N 1 2 229.320 1.366 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000337102617 350554064 /nfs/dbraw/zinc/55/40/64/350554064.db2.gz XGJKOVQDDKOQDL-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCc1c[nH+]c(C)nc1N ZINC000563193303 350604680 /nfs/dbraw/zinc/60/46/80/350604680.db2.gz JTNCAGMKALTJCR-ZDUSSCGKSA-N 1 2 248.330 1.416 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329055273 538098481 /nfs/dbraw/zinc/09/84/81/538098481.db2.gz XOVLXKNOHZYQOW-AXFHLTTASA-N 1 2 249.314 1.579 20 30 BDEDLO N#CCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000309509835 350686023 /nfs/dbraw/zinc/68/60/23/350686023.db2.gz OVIPBHRKYWYVPO-UHFFFAOYSA-N 1 2 214.272 1.956 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC(C)=C(C)C1 ZINC000382520956 350854008 /nfs/dbraw/zinc/85/40/08/350854008.db2.gz AHAYLFOSDFOPMR-NSHDSACASA-N 1 2 209.289 1.756 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC(C)=C(C)C1 ZINC000382520956 350854009 /nfs/dbraw/zinc/85/40/09/350854009.db2.gz AHAYLFOSDFOPMR-NSHDSACASA-N 1 2 209.289 1.756 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397572887 350920554 /nfs/dbraw/zinc/92/05/54/350920554.db2.gz CMPOTKOFJXOCAZ-NXEZZACHSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000397572887 350920557 /nfs/dbraw/zinc/92/05/57/350920557.db2.gz CMPOTKOFJXOCAZ-NXEZZACHSA-N 1 2 210.277 1.174 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000577614677 366019017 /nfs/dbraw/zinc/01/90/17/366019017.db2.gz MHBOVCFYKZFGPM-NEPJUHHUSA-N 1 2 247.342 1.916 20 30 BDEDLO N#Cc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000086452710 351121366 /nfs/dbraw/zinc/12/13/66/351121366.db2.gz LCECWFYZQZZTQL-UHFFFAOYSA-N 1 2 213.240 1.836 20 30 BDEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000052897337 351076425 /nfs/dbraw/zinc/07/64/25/351076425.db2.gz XMARGFAKYULTHD-UHFFFAOYSA-N 1 2 249.310 1.856 20 30 BDEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000052897337 351076428 /nfs/dbraw/zinc/07/64/28/351076428.db2.gz XMARGFAKYULTHD-UHFFFAOYSA-N 1 2 249.310 1.856 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2ccon2)CC1 ZINC000272490678 351480108 /nfs/dbraw/zinc/48/01/08/351480108.db2.gz CERDQGXOWBTYLD-UHFFFAOYSA-N 1 2 205.261 1.800 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(C#N)CCCC1 ZINC000279495580 351813858 /nfs/dbraw/zinc/81/38/58/351813858.db2.gz SCSSIYLEGRTDCX-UHFFFAOYSA-N 1 2 232.287 1.213 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)NC1(C#N)CCCC1 ZINC000279495580 351813860 /nfs/dbraw/zinc/81/38/60/351813860.db2.gz SCSSIYLEGRTDCX-UHFFFAOYSA-N 1 2 232.287 1.213 20 30 BDEDLO N#CC1(C(=O)NCc2c[nH+]c[nH]2)CCCCC1 ZINC000088751182 351850101 /nfs/dbraw/zinc/85/01/01/351850101.db2.gz MDHGWLSGUOOPDX-UHFFFAOYSA-N 1 2 232.287 1.500 20 30 BDEDLO N#CC1(C(=O)NCc2c[nH]c[nH+]2)CCCCC1 ZINC000088751182 351850103 /nfs/dbraw/zinc/85/01/03/351850103.db2.gz MDHGWLSGUOOPDX-UHFFFAOYSA-N 1 2 232.287 1.500 20 30 BDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC#N ZINC000281136633 351877344 /nfs/dbraw/zinc/87/73/44/351877344.db2.gz YXLOFYCILSHNRA-NSHDSACASA-N 1 2 218.304 1.954 20 30 BDEDLO NC(=[NH+]OCc1ccc(F)cn1)[C@H]1CCCO1 ZINC000284484722 351998165 /nfs/dbraw/zinc/99/81/65/351998165.db2.gz SBLNSAAEKZPWRD-SNVBAGLBSA-N 1 2 239.250 1.189 20 30 BDEDLO CN(C)C(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405174011 352067531 /nfs/dbraw/zinc/06/75/31/352067531.db2.gz YGZUIPDYWRYAAW-UHFFFAOYSA-N 1 2 243.310 1.352 20 30 BDEDLO CN(C)C(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405174011 352067532 /nfs/dbraw/zinc/06/75/32/352067532.db2.gz YGZUIPDYWRYAAW-UHFFFAOYSA-N 1 2 243.310 1.352 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340199330 352027094 /nfs/dbraw/zinc/02/70/94/352027094.db2.gz LHACBEKBRBFRIO-DTWKUNHWSA-N 1 2 236.237 1.678 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340199330 352027095 /nfs/dbraw/zinc/02/70/95/352027095.db2.gz LHACBEKBRBFRIO-DTWKUNHWSA-N 1 2 236.237 1.678 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000286732890 352103696 /nfs/dbraw/zinc/10/36/96/352103696.db2.gz KABJTKMWGSVUBD-CYBMUJFWSA-N 1 2 248.330 1.671 20 30 BDEDLO C=CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000288313543 352145614 /nfs/dbraw/zinc/14/56/14/352145614.db2.gz ZFWJYCROJQBXGW-UHFFFAOYSA-N 1 2 207.277 1.377 20 30 BDEDLO C#Cc1ccc(C[N@@H+](C)Cc2nncn2C)cc1 ZINC000290090904 352209530 /nfs/dbraw/zinc/20/95/30/352209530.db2.gz HBOONUAKFVRVCP-UHFFFAOYSA-N 1 2 240.310 1.428 20 30 BDEDLO C#Cc1ccc(C[N@H+](C)Cc2nncn2C)cc1 ZINC000290090904 352209532 /nfs/dbraw/zinc/20/95/32/352209532.db2.gz HBOONUAKFVRVCP-UHFFFAOYSA-N 1 2 240.310 1.428 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CC(F)(F)F ZINC000292210568 352307929 /nfs/dbraw/zinc/30/79/29/352307929.db2.gz OJKYKORODVXCSZ-VIFPVBQESA-N 1 2 236.237 1.701 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CC(F)(F)F ZINC000292210568 352307931 /nfs/dbraw/zinc/30/79/31/352307931.db2.gz OJKYKORODVXCSZ-VIFPVBQESA-N 1 2 236.237 1.701 20 30 BDEDLO C=C[C@H]([NH2+]CC1CCCCC1)C(=O)OC ZINC000300947115 363175616 /nfs/dbraw/zinc/17/56/16/363175616.db2.gz FMDNJNKJAWYMRE-NSHDSACASA-N 1 2 211.305 1.884 20 30 BDEDLO CC[N@@H+](CC(=O)NC1CCCC1)C[C@@H](C)C#N ZINC000042287611 352618183 /nfs/dbraw/zinc/61/81/83/352618183.db2.gz NSKAYQVRYHKKIC-NSHDSACASA-N 1 2 237.347 1.527 20 30 BDEDLO CC[N@H+](CC(=O)NC1CCCC1)C[C@@H](C)C#N ZINC000042287611 352618186 /nfs/dbraw/zinc/61/81/86/352618186.db2.gz NSKAYQVRYHKKIC-NSHDSACASA-N 1 2 237.347 1.527 20 30 BDEDLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000412077236 191252882 /nfs/dbraw/zinc/25/28/82/191252882.db2.gz OHYZRZOANUSLDE-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000412077236 191252884 /nfs/dbraw/zinc/25/28/84/191252884.db2.gz OHYZRZOANUSLDE-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccn1 ZINC000342859927 352878336 /nfs/dbraw/zinc/87/83/36/352878336.db2.gz LOVRPGSLZPTAGR-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccn1 ZINC000342859927 352878339 /nfs/dbraw/zinc/87/83/39/352878339.db2.gz LOVRPGSLZPTAGR-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO C=CCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000263972179 187912769 /nfs/dbraw/zinc/91/27/69/187912769.db2.gz HXVLFZQXLXDRMM-SNVBAGLBSA-N 1 2 207.277 1.354 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334417585 353101135 /nfs/dbraw/zinc/10/11/35/353101135.db2.gz OWKKNWRYRQAQBE-VHSXEESVSA-N 1 2 232.287 1.623 20 30 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BDEDLO N#Cc1csc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000600192335 369513275 /nfs/dbraw/zinc/51/32/75/369513275.db2.gz QDLRGTHGWHZQSD-OCAPTIKFSA-N 1 2 205.286 1.466 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](COCC)C1 ZINC000619718019 369547074 /nfs/dbraw/zinc/54/70/74/369547074.db2.gz LZCAXOFCEQRYGI-NWDGAFQWSA-N 1 2 241.331 1.463 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](COCC)C1 ZINC000619718019 369547080 /nfs/dbraw/zinc/54/70/80/369547080.db2.gz LZCAXOFCEQRYGI-NWDGAFQWSA-N 1 2 241.331 1.463 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C)(COC)CC1 ZINC000619720190 369549986 /nfs/dbraw/zinc/54/99/86/369549986.db2.gz NTMYGAXZVVIYGG-NSHDSACASA-N 1 2 241.331 1.463 20 30 BDEDLO COc1cc(CNc2cc(C)[nH+]cc2C#N)on1 ZINC000601197452 369604060 /nfs/dbraw/zinc/60/40/60/369604060.db2.gz BAGSXQSVODBYJC-UHFFFAOYSA-N 1 2 244.254 1.292 20 30 BDEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N(C)C ZINC000602014098 369735413 /nfs/dbraw/zinc/73/54/13/369735413.db2.gz RFXRGQIWAIXMOP-SECBINFHSA-N 1 2 249.289 1.264 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CC(C)(C)O1 ZINC000602456985 369789928 /nfs/dbraw/zinc/78/99/28/369789928.db2.gz YJPQOZMMCWVTNY-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CC(C)(C)O1 ZINC000602456985 369789930 /nfs/dbraw/zinc/78/99/30/369789930.db2.gz YJPQOZMMCWVTNY-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](F)C2)n1 ZINC000602708024 369843171 /nfs/dbraw/zinc/84/31/71/369843171.db2.gz WFLWGQWVMSVTSE-SNVBAGLBSA-N 1 2 219.263 1.887 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](F)C2)n1 ZINC000602708024 369843175 /nfs/dbraw/zinc/84/31/75/369843175.db2.gz WFLWGQWVMSVTSE-SNVBAGLBSA-N 1 2 219.263 1.887 20 30 BDEDLO CC(C)(Nc1cnc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000603405665 369954407 /nfs/dbraw/zinc/95/44/07/369954407.db2.gz CFURVWOCQQMYFU-UHFFFAOYSA-N 1 2 228.259 1.419 20 30 BDEDLO Cn1cc(C[NH2+]Cc2cc(C#N)cs2)nn1 ZINC000309530555 370223924 /nfs/dbraw/zinc/22/39/24/370223924.db2.gz VVDMJVDVBVQOBS-UHFFFAOYSA-N 1 2 233.300 1.038 20 30 BDEDLO N#Cc1nccc(NCCCCn2cc[nH+]c2)n1 ZINC000311082369 370384468 /nfs/dbraw/zinc/38/44/68/370384468.db2.gz WYRZUIKXJXDWIR-UHFFFAOYSA-N 1 2 242.286 1.437 20 30 BDEDLO C=CC[NH+](CC=C)Cc1nccnc1C ZINC000621708852 370453592 /nfs/dbraw/zinc/45/35/92/370453592.db2.gz CCDIIUUOIYDXRN-UHFFFAOYSA-N 1 2 203.289 1.959 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037871530 371068343 /nfs/dbraw/zinc/06/83/43/371068343.db2.gz PNHKJFJJMGWRPG-SECBINFHSA-N 1 2 219.244 1.987 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCS[C@@H]1C)C(=O)OC ZINC000389290847 371128150 /nfs/dbraw/zinc/12/81/50/371128150.db2.gz ZCTTVXMWBFHOCA-VGMNWLOBSA-N 1 2 215.318 1.198 20 30 BDEDLO Cc1nnc(C[NH2+]Cc2cc(C#N)n(C)c2)s1 ZINC000391935934 371353243 /nfs/dbraw/zinc/35/32/43/371353243.db2.gz PBNWNMVAOGGVBG-UHFFFAOYSA-N 1 2 247.327 1.347 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)c1sccc1C#N ZINC000334206308 371508944 /nfs/dbraw/zinc/50/89/44/371508944.db2.gz ZEASOHQRRZDWQA-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO Cc1nnc(C[NH2+][C@H]2CCCC[C@H]2C#N)n1C ZINC000393052222 371495742 /nfs/dbraw/zinc/49/57/42/371495742.db2.gz BOYGSWOMEAZACW-QWRGUYRKSA-N 1 2 233.319 1.296 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000161865795 371572031 /nfs/dbraw/zinc/57/20/31/371572031.db2.gz DOWQUEABKRJWBM-NXEZZACHSA-N 1 2 211.309 1.039 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373552 371591929 /nfs/dbraw/zinc/59/19/29/371591929.db2.gz VAECPZITGUSHKJ-UHFFFAOYSA-N 1 2 233.315 1.897 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373552 371591934 /nfs/dbraw/zinc/59/19/34/371591934.db2.gz VAECPZITGUSHKJ-UHFFFAOYSA-N 1 2 233.315 1.897 20 30 BDEDLO C=CCCCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632757796 373127264 /nfs/dbraw/zinc/12/72/64/373127264.db2.gz SWJRHCVFNNCYLX-UHFFFAOYSA-N 1 2 243.332 1.138 20 30 BDEDLO C=CCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633346954 373486902 /nfs/dbraw/zinc/48/69/02/373486902.db2.gz RDTUDQYRWQKSRJ-UHFFFAOYSA-N 1 2 208.265 1.127 20 30 BDEDLO Cc1[nH]ncc1C[NH2+]CC(C)(C)CC#N ZINC000459702472 206138157 /nfs/dbraw/zinc/13/81/57/206138157.db2.gz VCPDRRVWFCRQRI-UHFFFAOYSA-N 1 2 206.293 1.748 20 30 BDEDLO CCC[N@H+](CC(=O)NC)Cc1ccccc1C#N ZINC000042267531 169094067 /nfs/dbraw/zinc/09/40/67/169094067.db2.gz YGWGXFHTISRERY-UHFFFAOYSA-N 1 2 245.326 1.516 20 30 BDEDLO CCC[N@@H+](CC(=O)NC)Cc1ccccc1C#N ZINC000042267531 169094069 /nfs/dbraw/zinc/09/40/69/169094069.db2.gz YGWGXFHTISRERY-UHFFFAOYSA-N 1 2 245.326 1.516 20 30 BDEDLO CCC[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000336796665 169111164 /nfs/dbraw/zinc/11/11/64/169111164.db2.gz UYTXDNXLSYCKQT-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO CCC[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000336796665 169111169 /nfs/dbraw/zinc/11/11/69/169111169.db2.gz UYTXDNXLSYCKQT-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454519 169245345 /nfs/dbraw/zinc/24/53/45/169245345.db2.gz PKOZVDCMQGRRFQ-JTQLQIEISA-N 1 2 211.309 1.137 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454519 169245346 /nfs/dbraw/zinc/24/53/46/169245346.db2.gz PKOZVDCMQGRRFQ-JTQLQIEISA-N 1 2 211.309 1.137 20 30 BDEDLO C#CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000298737098 383987511 /nfs/dbraw/zinc/98/75/11/383987511.db2.gz WRMYSSXMLBBUOR-ZDUSSCGKSA-N 1 2 201.269 1.693 20 30 BDEDLO C#CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000298737098 383987521 /nfs/dbraw/zinc/98/75/21/383987521.db2.gz WRMYSSXMLBBUOR-ZDUSSCGKSA-N 1 2 201.269 1.693 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000298627330 383970547 /nfs/dbraw/zinc/97/05/47/383970547.db2.gz VMDYGNXHHSKUBZ-LBPRGKRZSA-N 1 2 231.295 1.683 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000298627330 383970553 /nfs/dbraw/zinc/97/05/53/383970553.db2.gz VMDYGNXHHSKUBZ-LBPRGKRZSA-N 1 2 231.295 1.683 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)Cc1cnn[nH]1 ZINC000298867777 384038715 /nfs/dbraw/zinc/03/87/15/384038715.db2.gz JJXGXVGKLNLNON-UHFFFAOYSA-N 1 2 232.287 1.628 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)Cc1cnn[nH]1 ZINC000298867777 384038723 /nfs/dbraw/zinc/03/87/23/384038723.db2.gz JJXGXVGKLNLNON-UHFFFAOYSA-N 1 2 232.287 1.628 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)Cc1c[nH]nn1 ZINC000298867777 384038731 /nfs/dbraw/zinc/03/87/31/384038731.db2.gz JJXGXVGKLNLNON-UHFFFAOYSA-N 1 2 232.287 1.628 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nn1 ZINC000298867777 384038735 /nfs/dbraw/zinc/03/87/35/384038735.db2.gz JJXGXVGKLNLNON-UHFFFAOYSA-N 1 2 232.287 1.628 20 30 BDEDLO N#CCC[N@H+](Cc1ccncc1)C1CC1 ZINC000049900751 384067076 /nfs/dbraw/zinc/06/70/76/384067076.db2.gz VTTMPHAWZXOIPQ-UHFFFAOYSA-N 1 2 201.273 1.960 20 30 BDEDLO N#CCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000049900751 384067081 /nfs/dbraw/zinc/06/70/81/384067081.db2.gz VTTMPHAWZXOIPQ-UHFFFAOYSA-N 1 2 201.273 1.960 20 30 BDEDLO C=CCCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000299156125 384118870 /nfs/dbraw/zinc/11/88/70/384118870.db2.gz ZEVURQZRYDFLPQ-SNVBAGLBSA-N 1 2 236.319 1.647 20 30 BDEDLO C=CCCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000299156125 384118874 /nfs/dbraw/zinc/11/88/74/384118874.db2.gz ZEVURQZRYDFLPQ-SNVBAGLBSA-N 1 2 236.319 1.647 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)C1(C#N)CCCCC1 ZINC000071140243 384152536 /nfs/dbraw/zinc/15/25/36/384152536.db2.gz QUMIHZOVKWOSSK-UHFFFAOYSA-N 1 2 246.314 1.510 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(C)(C)CC ZINC000299386551 384205462 /nfs/dbraw/zinc/20/54/62/384205462.db2.gz SYRBUVDZVYYURC-GFCCVEGCSA-N 1 2 234.343 1.248 20 30 BDEDLO C=C(C)CO[NH+]=C(N)COc1ccccc1 ZINC000092891549 384198279 /nfs/dbraw/zinc/19/82/79/384198279.db2.gz LGRHEUACGUJBEP-UHFFFAOYSA-N 1 2 220.272 1.930 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000157623300 384232570 /nfs/dbraw/zinc/23/25/70/384232570.db2.gz WEDMQSNPBWLUSH-SNVBAGLBSA-N 1 2 232.283 1.552 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000157623300 384232573 /nfs/dbraw/zinc/23/25/73/384232573.db2.gz WEDMQSNPBWLUSH-SNVBAGLBSA-N 1 2 232.283 1.552 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)CC#N)n1 ZINC000093090540 384210712 /nfs/dbraw/zinc/21/07/12/384210712.db2.gz HPPKTXCSQWADEF-JTQLQIEISA-N 1 2 219.288 1.830 20 30 BDEDLO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)CC#N)n1 ZINC000093090540 384210715 /nfs/dbraw/zinc/21/07/15/384210715.db2.gz HPPKTXCSQWADEF-JTQLQIEISA-N 1 2 219.288 1.830 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)OC ZINC000361115390 384218588 /nfs/dbraw/zinc/21/85/88/384218588.db2.gz XDXIGOKYTLBXRY-WOPDTQHZSA-N 1 2 241.331 1.509 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)o1 ZINC000336796366 384283189 /nfs/dbraw/zinc/28/31/89/384283189.db2.gz RWUXWNKVPGYPPK-SECBINFHSA-N 1 2 244.254 1.166 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)c1cscc1C#N ZINC000335452087 384291675 /nfs/dbraw/zinc/29/16/75/384291675.db2.gz NNWVYFDTONTGFI-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000335461875 384292652 /nfs/dbraw/zinc/29/26/52/384292652.db2.gz RLSVSPQQRZTERU-KOLCDFICSA-N 1 2 204.277 1.500 20 30 BDEDLO Cc1cc(N2CCSCC2)c(C#N)c[nH+]1 ZINC000335511945 384296361 /nfs/dbraw/zinc/29/63/61/384296361.db2.gz PRMURCHFWMKILL-UHFFFAOYSA-N 1 2 219.313 1.815 20 30 BDEDLO CCN(CC#N)Cc1cn2ccccc2[nH+]1 ZINC000045061138 384371433 /nfs/dbraw/zinc/37/14/33/384371433.db2.gz QDOAWECHBRMYOC-UHFFFAOYSA-N 1 2 214.272 1.680 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000044413349 384330630 /nfs/dbraw/zinc/33/06/30/384330630.db2.gz SXFGWOXZPVMGKZ-ZDUSSCGKSA-N 1 2 218.300 1.956 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000044413349 384330636 /nfs/dbraw/zinc/33/06/36/384330636.db2.gz SXFGWOXZPVMGKZ-ZDUSSCGKSA-N 1 2 218.300 1.956 20 30 BDEDLO Cc1nc(N2CC(n3cc[nH+]c3)C2)ccc1C#N ZINC000558996318 384459907 /nfs/dbraw/zinc/45/99/07/384459907.db2.gz TXHMASFHLYZWBU-UHFFFAOYSA-N 1 2 239.282 1.520 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248813096 384554733 /nfs/dbraw/zinc/55/47/33/384554733.db2.gz CYKCBRZQHLLWHK-FRRDWIJNSA-N 1 2 236.359 1.492 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248813096 384554740 /nfs/dbraw/zinc/55/47/40/384554740.db2.gz CYKCBRZQHLLWHK-FRRDWIJNSA-N 1 2 236.359 1.492 20 30 BDEDLO Cc1c[nH+]c(CN[C@@H]2CCC[C@H]2C#N)n1C ZINC000309714737 384557176 /nfs/dbraw/zinc/55/71/76/384557176.db2.gz SHGDSOIQNKGXOU-WDEREUQCSA-N 1 2 218.304 1.510 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000184086532 384562592 /nfs/dbraw/zinc/56/25/92/384562592.db2.gz ARISOEVAIUZJHZ-JTQLQIEISA-N 1 2 248.330 1.498 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000135729554 384585987 /nfs/dbraw/zinc/58/59/87/384585987.db2.gz YXNIYGVXSBWILU-WCQYABFASA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135729554 384585990 /nfs/dbraw/zinc/58/59/90/384585990.db2.gz YXNIYGVXSBWILU-WCQYABFASA-N 1 2 240.347 1.178 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565900207 384718774 /nfs/dbraw/zinc/71/87/74/384718774.db2.gz QJJJNDVYLFLGOW-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000565900207 384718781 /nfs/dbraw/zinc/71/87/81/384718781.db2.gz QJJJNDVYLFLGOW-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC(=O)Nc1cccc(C[N@H+](C)CCC#N)c1 ZINC000083218393 384751255 /nfs/dbraw/zinc/75/12/55/384751255.db2.gz CPZUQPATJNXSEK-UHFFFAOYSA-N 1 2 231.299 1.990 20 30 BDEDLO CC(=O)Nc1cccc(C[N@@H+](C)CCC#N)c1 ZINC000083218393 384751260 /nfs/dbraw/zinc/75/12/60/384751260.db2.gz CPZUQPATJNXSEK-UHFFFAOYSA-N 1 2 231.299 1.990 20 30 BDEDLO Cc1cc(C)c(CNC(=O)C(C)(C)C#N)c[nH+]1 ZINC000335060088 384792879 /nfs/dbraw/zinc/79/28/79/384792879.db2.gz SPQGSSCLWHSNLX-UHFFFAOYSA-N 1 2 231.299 1.864 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491821517 384858672 /nfs/dbraw/zinc/85/86/72/384858672.db2.gz WFKQCCRZCVUCMZ-SNVBAGLBSA-N 1 2 243.266 1.920 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491821517 384858680 /nfs/dbraw/zinc/85/86/80/384858680.db2.gz WFKQCCRZCVUCMZ-SNVBAGLBSA-N 1 2 243.266 1.920 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000302115870 384961022 /nfs/dbraw/zinc/96/10/22/384961022.db2.gz CREDZQAKEZZMGZ-JTQLQIEISA-N 1 2 221.304 1.949 20 30 BDEDLO CC(C)[N@H+](CC(N)=O)Cc1cc(C#N)cs1 ZINC000179660353 385018112 /nfs/dbraw/zinc/01/81/12/385018112.db2.gz GRAYOFQLDPIEGM-UHFFFAOYSA-N 1 2 237.328 1.315 20 30 BDEDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(C#N)cs1 ZINC000179660353 385018120 /nfs/dbraw/zinc/01/81/20/385018120.db2.gz GRAYOFQLDPIEGM-UHFFFAOYSA-N 1 2 237.328 1.315 20 30 BDEDLO CO[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356109490 385032957 /nfs/dbraw/zinc/03/29/57/385032957.db2.gz KYELTWOEVCFBOS-SECBINFHSA-N 1 2 223.301 1.235 20 30 BDEDLO CO[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356109490 385032961 /nfs/dbraw/zinc/03/29/61/385032961.db2.gz KYELTWOEVCFBOS-SECBINFHSA-N 1 2 223.301 1.235 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000644718315 385135707 /nfs/dbraw/zinc/13/57/07/385135707.db2.gz QDHBGYUDOAUFAS-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO CC[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000177398167 385232604 /nfs/dbraw/zinc/23/26/04/385232604.db2.gz JXBHBIUBFJSBNS-UHFFFAOYSA-N 1 2 249.339 1.397 20 30 BDEDLO CCCCCNC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000157640805 385238104 /nfs/dbraw/zinc/23/81/04/385238104.db2.gz VCIRGZWPJPLINK-GFCCVEGCSA-N 1 2 239.363 1.774 20 30 BDEDLO CCCCCNC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000157640805 385238114 /nfs/dbraw/zinc/23/81/14/385238114.db2.gz VCIRGZWPJPLINK-GFCCVEGCSA-N 1 2 239.363 1.774 20 30 BDEDLO CC#CC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000157825417 385279068 /nfs/dbraw/zinc/27/90/68/385279068.db2.gz FGOOXGFEWQSZJR-UHFFFAOYSA-N 1 2 249.745 1.880 20 30 BDEDLO CC#CC[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000130781544 385285074 /nfs/dbraw/zinc/28/50/74/385285074.db2.gz OYPINEOQNPXAIU-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO CC#CC[N@H+](CC(=O)OCC)C(C)(C)C ZINC000130781544 385285080 /nfs/dbraw/zinc/28/50/80/385285080.db2.gz OYPINEOQNPXAIU-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO C=CC[N@@H+](CCSC)[C@H]1CCS(=O)(=O)C1 ZINC000178857353 385340283 /nfs/dbraw/zinc/34/02/83/385340283.db2.gz ZOVNSNFMMZAPSC-JTQLQIEISA-N 1 2 249.401 1.025 20 30 BDEDLO C=CC[N@H+](CCSC)[C@H]1CCS(=O)(=O)C1 ZINC000178857353 385340285 /nfs/dbraw/zinc/34/02/85/385340285.db2.gz ZOVNSNFMMZAPSC-JTQLQIEISA-N 1 2 249.401 1.025 20 30 BDEDLO C[N@H+](Cc1cnc[nH]1)Cc1cccc(C#N)c1 ZINC000180048361 385378781 /nfs/dbraw/zinc/37/87/81/385378781.db2.gz FABFARMTGOTYOF-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@@H+](Cc1cnc[nH]1)Cc1cccc(C#N)c1 ZINC000180048361 385378785 /nfs/dbraw/zinc/37/87/85/385378785.db2.gz FABFARMTGOTYOF-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@H+](Cc1c[nH]cn1)Cc1cccc(C#N)c1 ZINC000180048361 385378788 /nfs/dbraw/zinc/37/87/88/385378788.db2.gz FABFARMTGOTYOF-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@@H+](Cc1c[nH]cn1)Cc1cccc(C#N)c1 ZINC000180048361 385378795 /nfs/dbraw/zinc/37/87/95/385378795.db2.gz FABFARMTGOTYOF-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3cn[nH]c3C2)C1 ZINC000590166959 385429933 /nfs/dbraw/zinc/42/99/33/385429933.db2.gz IZNNWNDBNQNVCT-MWLCHTKSSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3cn[nH]c3C2)C1 ZINC000590166959 385429937 /nfs/dbraw/zinc/42/99/37/385429937.db2.gz IZNNWNDBNQNVCT-MWLCHTKSSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c[nH]nc3C2)C1 ZINC000590166959 385429939 /nfs/dbraw/zinc/42/99/39/385429939.db2.gz IZNNWNDBNQNVCT-MWLCHTKSSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c[nH]nc3C2)C1 ZINC000590166959 385429942 /nfs/dbraw/zinc/42/99/42/385429942.db2.gz IZNNWNDBNQNVCT-MWLCHTKSSA-N 1 2 216.288 1.460 20 30 BDEDLO C[C@@]1(C2CC2)C[N@H+](CC2(C#N)CC2)CCO1 ZINC000595625108 385635762 /nfs/dbraw/zinc/63/57/62/385635762.db2.gz LEXVHDLJWFAGBM-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO C[C@@]1(C2CC2)C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000595625108 385635767 /nfs/dbraw/zinc/63/57/67/385635767.db2.gz LEXVHDLJWFAGBM-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000309617039 385743948 /nfs/dbraw/zinc/74/39/48/385743948.db2.gz FNXPKNMKHMGPAI-UHFFFAOYSA-N 1 2 234.690 1.991 20 30 BDEDLO C#CC[N@H+]1CCCCC[C@H]1C(=O)OCC ZINC000370559563 533153078 /nfs/dbraw/zinc/15/30/78/533153078.db2.gz VFMVPABVJJRBKQ-NSHDSACASA-N 1 2 209.289 1.427 20 30 BDEDLO C#CC[N@@H+]1CCCCC[C@H]1C(=O)OCC ZINC000370559563 533153082 /nfs/dbraw/zinc/15/30/82/533153082.db2.gz VFMVPABVJJRBKQ-NSHDSACASA-N 1 2 209.289 1.427 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000301712354 533157091 /nfs/dbraw/zinc/15/70/91/533157091.db2.gz VOPWEADTHFMQBT-UHFFFAOYSA-N 1 2 215.300 1.145 20 30 BDEDLO C=CCC[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000320319363 386315200 /nfs/dbraw/zinc/31/52/00/386315200.db2.gz WBXIXKKYZWGMGB-SECBINFHSA-N 1 2 247.302 1.102 20 30 BDEDLO CC[C@@H](CCO)CNc1cc(C)[nH+]cc1C#N ZINC000398985469 386317945 /nfs/dbraw/zinc/31/79/45/386317945.db2.gz GTJGTCOBTBZIDD-NSHDSACASA-N 1 2 233.315 1.504 20 30 BDEDLO C=C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000280606720 386367896 /nfs/dbraw/zinc/36/78/96/386367896.db2.gz VCVOQHUWHHETAZ-UHFFFAOYSA-N 1 2 233.315 1.531 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc(OC)nc1C ZINC000339759224 386593419 /nfs/dbraw/zinc/59/34/19/386593419.db2.gz LBTDGUWPSPCNMN-UHFFFAOYSA-N 1 2 219.288 1.249 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc(OC)nc1C ZINC000339759224 386593423 /nfs/dbraw/zinc/59/34/23/386593423.db2.gz LBTDGUWPSPCNMN-UHFFFAOYSA-N 1 2 219.288 1.249 20 30 BDEDLO Cc1cc(NCCC[C@H](C)O)c(C#N)c[nH+]1 ZINC000399008601 386549164 /nfs/dbraw/zinc/54/91/64/386549164.db2.gz BOBZOAUXOLZUQE-JTQLQIEISA-N 1 2 219.288 1.257 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183827164 386556006 /nfs/dbraw/zinc/55/60/06/386556006.db2.gz CEKUFUISDHWBKV-SNVBAGLBSA-N 1 2 221.304 1.671 20 30 BDEDLO CC(C)n1c[nH+]cc1CN1CCN(CC#N)CC1 ZINC000425321731 386558573 /nfs/dbraw/zinc/55/85/73/386558573.db2.gz GBLBRPKCZLWYGW-UHFFFAOYSA-N 1 2 247.346 1.105 20 30 BDEDLO C#CC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000299281041 533179951 /nfs/dbraw/zinc/17/99/51/533179951.db2.gz VDJQBLPOQZITNT-UHFFFAOYSA-N 1 2 219.288 1.760 20 30 BDEDLO Cc1noc(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000330603136 386808297 /nfs/dbraw/zinc/80/82/97/386808297.db2.gz HRBGAXDOVAZMAP-UHFFFAOYSA-N 1 2 235.247 1.541 20 30 BDEDLO N#C[C@H]1CCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000330744148 386877299 /nfs/dbraw/zinc/87/72/99/386877299.db2.gz DBKFXNWCTUENGU-NXEZZACHSA-N 1 2 232.287 1.151 20 30 BDEDLO COCC[C@@H](COC)Nc1cc(C)[nH+]cc1C#N ZINC000399526808 386956264 /nfs/dbraw/zinc/95/62/64/386956264.db2.gz SLDTVYGATZKNOI-LBPRGKRZSA-N 1 2 249.314 1.147 20 30 BDEDLO CC1(C#N)C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000334893674 386967735 /nfs/dbraw/zinc/96/77/35/386967735.db2.gz SDAGXIVOLKQAFT-GFCCVEGCSA-N 1 2 222.332 1.773 20 30 BDEDLO COCCOCCCNc1cc(C)[nH+]cc1C#N ZINC000399539491 386992343 /nfs/dbraw/zinc/99/23/43/386992343.db2.gz YDMVURIYKKZPLZ-UHFFFAOYSA-N 1 2 249.314 1.149 20 30 BDEDLO COC(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000399600214 387035286 /nfs/dbraw/zinc/03/52/86/387035286.db2.gz SUKXGIASXHTKGL-UHFFFAOYSA-N 1 2 219.288 1.521 20 30 BDEDLO Cc1cc(N2CC(O)(CC#N)C2)nc(C2CC2)[nH+]1 ZINC000188550434 387041285 /nfs/dbraw/zinc/04/12/85/387041285.db2.gz WUCALFNWLCVVNH-UHFFFAOYSA-N 1 2 244.298 1.127 20 30 BDEDLO N#CC1CC[NH+](Cc2cscn2)CC1 ZINC000057906246 387149194 /nfs/dbraw/zinc/14/91/94/387149194.db2.gz CKLJRCWNGCVBHZ-UHFFFAOYSA-N 1 2 207.302 1.879 20 30 BDEDLO N#C[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)CO)C1 ZINC000193296431 387193434 /nfs/dbraw/zinc/19/34/34/387193434.db2.gz PHJFATGCYIPYIJ-RKDXNWHRSA-N 1 2 218.247 1.286 20 30 BDEDLO Cc1cc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000572004173 387218651 /nfs/dbraw/zinc/21/86/51/387218651.db2.gz BIXJTULIPUSGQA-CYBMUJFWSA-N 1 2 249.314 1.470 20 30 BDEDLO Cc1cc(NCC#CCO)nc(C2CC2)[nH+]1 ZINC000285512367 387272020 /nfs/dbraw/zinc/27/20/20/387272020.db2.gz GCMHPFNEWVFLOI-UHFFFAOYSA-N 1 2 217.272 1.070 20 30 BDEDLO Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)c(C#N)c[nH+]1 ZINC000572357976 387345397 /nfs/dbraw/zinc/34/53/97/387345397.db2.gz ZZILWGKOOYYSGH-NEPJUHHUSA-N 1 2 245.326 1.859 20 30 BDEDLO C[C@H]([NH2+]Cc1ncnn1C)c1ccc(C#N)cc1 ZINC000088572055 387427641 /nfs/dbraw/zinc/42/76/41/387427641.db2.gz MKBGZJSUXQUGIB-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C[C@@H](c1nccc(N)n1)[NH+]1CCC(C)(C#N)CC1 ZINC000516083554 387458176 /nfs/dbraw/zinc/45/81/76/387458176.db2.gz XXVOUFLCJWKNQB-JTQLQIEISA-N 1 2 245.330 1.576 20 30 BDEDLO C=CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000516126220 387460002 /nfs/dbraw/zinc/46/00/02/387460002.db2.gz MKRGHSLGVHOYEP-UHFFFAOYSA-N 1 2 219.288 1.308 20 30 BDEDLO C=C1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000264445851 387392189 /nfs/dbraw/zinc/39/21/89/387392189.db2.gz GYNJVYPGSKBWKW-UHFFFAOYSA-N 1 2 232.331 1.766 20 30 BDEDLO C=C(C)CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000274984159 387498422 /nfs/dbraw/zinc/49/84/22/387498422.db2.gz BXMJDSOVNUEXDU-UHFFFAOYSA-N 1 2 248.330 1.595 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276165607 387517190 /nfs/dbraw/zinc/51/71/90/387517190.db2.gz QPYHCSGJGORXFK-AAEUAGOBSA-N 1 2 235.331 1.990 20 30 BDEDLO C=C(CC)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426142037 387539828 /nfs/dbraw/zinc/53/98/28/387539828.db2.gz GXVRCAATGBKGRO-UHFFFAOYSA-N 1 2 224.348 1.753 20 30 BDEDLO C=C(CC)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426142037 387539833 /nfs/dbraw/zinc/53/98/33/387539833.db2.gz GXVRCAATGBKGRO-UHFFFAOYSA-N 1 2 224.348 1.753 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274271840 387467861 /nfs/dbraw/zinc/46/78/61/387467861.db2.gz HTXOMJPPUHJORD-NWDGAFQWSA-N 1 2 235.331 1.990 20 30 BDEDLO C#CC[N@@H+](CC(=O)OCCCC)C1CC1 ZINC000274230596 387468417 /nfs/dbraw/zinc/46/84/17/387468417.db2.gz WNDGQOYQIPNOFX-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO C#CC[N@H+](CC(=O)OCCCC)C1CC1 ZINC000274230596 387468423 /nfs/dbraw/zinc/46/84/23/387468423.db2.gz WNDGQOYQIPNOFX-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO C=C(Br)C[N@@H+]1CCCOCC1 ZINC000306359732 387683999 /nfs/dbraw/zinc/68/39/99/387683999.db2.gz DZWKSSFGQXXGSG-UHFFFAOYSA-N 1 2 220.110 1.617 20 30 BDEDLO C=C(Br)C[N@H+]1CCCOCC1 ZINC000306359732 387684006 /nfs/dbraw/zinc/68/40/06/387684006.db2.gz DZWKSSFGQXXGSG-UHFFFAOYSA-N 1 2 220.110 1.617 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccncc2)nn1 ZINC000424142919 387743867 /nfs/dbraw/zinc/74/38/67/387743867.db2.gz QKCFCHKTSVYQEE-LLVKDONJSA-N 1 2 243.314 1.710 20 30 BDEDLO CCn1cc[nH+]c1CNc1cc(C)ncc1C#N ZINC000399488440 387709232 /nfs/dbraw/zinc/70/92/32/387709232.db2.gz GAWHYWRGXOTHRI-UHFFFAOYSA-N 1 2 241.298 1.512 20 30 BDEDLO C=CCCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000564043571 387810382 /nfs/dbraw/zinc/81/03/82/387810382.db2.gz VQTFGHOIMLYSHO-LBPRGKRZSA-N 1 2 227.304 1.264 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cnn(C=C)c2)nn1 ZINC000424171976 387865226 /nfs/dbraw/zinc/86/52/26/387865226.db2.gz MXQYDDGJWILFNA-UHFFFAOYSA-N 1 2 244.302 1.051 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000448698100 387883266 /nfs/dbraw/zinc/88/32/66/387883266.db2.gz OYJBNYQIGHAKOB-UHFFFAOYSA-N 1 2 247.342 1.976 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444737119 387920318 /nfs/dbraw/zinc/92/03/18/387920318.db2.gz WYECMICVLDYIPW-BDAKNGLRSA-N 1 2 236.237 1.535 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444737119 387920322 /nfs/dbraw/zinc/92/03/22/387920322.db2.gz WYECMICVLDYIPW-BDAKNGLRSA-N 1 2 236.237 1.535 20 30 BDEDLO CC(C)N1CCC[C@H]([N@H+](C)[C@H](C)CC#N)C1=O ZINC000245583425 387964185 /nfs/dbraw/zinc/96/41/85/387964185.db2.gz DGDGLLRCWHYWDC-NEPJUHHUSA-N 1 2 237.347 1.620 20 30 BDEDLO CC(C)N1CCC[C@H]([N@@H+](C)[C@H](C)CC#N)C1=O ZINC000245583425 387964187 /nfs/dbraw/zinc/96/41/87/387964187.db2.gz DGDGLLRCWHYWDC-NEPJUHHUSA-N 1 2 237.347 1.620 20 30 BDEDLO COCC[N@H+](CC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000453593207 388088818 /nfs/dbraw/zinc/08/88/18/388088818.db2.gz BISLFOBARIWXKE-NWDGAFQWSA-N 1 2 226.320 1.273 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000453593207 388088820 /nfs/dbraw/zinc/08/88/20/388088820.db2.gz BISLFOBARIWXKE-NWDGAFQWSA-N 1 2 226.320 1.273 20 30 BDEDLO C=CCCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000447996047 388108077 /nfs/dbraw/zinc/10/80/77/388108077.db2.gz CBBTXVZZBQYCJL-NSHDSACASA-N 1 2 248.330 1.463 20 30 BDEDLO N#Cc1csc(C[NH+]2CC([C@H]3CCOC3)C2)n1 ZINC000589514229 388114018 /nfs/dbraw/zinc/11/40/18/388114018.db2.gz NDMNOSGKYICDCO-VIFPVBQESA-N 1 2 249.339 1.483 20 30 BDEDLO C=CCCCC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000449267635 388164732 /nfs/dbraw/zinc/16/47/32/388164732.db2.gz APJXTQXHWVXKMD-SDDRHHMPSA-N 1 2 243.347 1.633 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456126782 388180194 /nfs/dbraw/zinc/18/01/94/388180194.db2.gz YGNSCOVJVFDGBT-SNVBAGLBSA-N 1 2 233.315 1.912 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000456126782 388180196 /nfs/dbraw/zinc/18/01/96/388180196.db2.gz YGNSCOVJVFDGBT-SNVBAGLBSA-N 1 2 233.315 1.912 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454674497 388129306 /nfs/dbraw/zinc/12/93/06/388129306.db2.gz ODEBXBKHFCPTSP-LPEHRKFASA-N 1 2 234.303 1.763 20 30 BDEDLO C=CCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449656933 388249172 /nfs/dbraw/zinc/24/91/72/388249172.db2.gz NBGCKIRCNYLRJQ-SECBINFHSA-N 1 2 232.274 1.314 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000490715376 388249793 /nfs/dbraw/zinc/24/97/93/388249793.db2.gz WPIUWYRJDPZGRJ-JTQLQIEISA-N 1 2 219.288 1.260 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000490715376 388249796 /nfs/dbraw/zinc/24/97/96/388249796.db2.gz WPIUWYRJDPZGRJ-JTQLQIEISA-N 1 2 219.288 1.260 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccncc1 ZINC000489398205 388210871 /nfs/dbraw/zinc/21/08/71/388210871.db2.gz ICBRMRHJHDBAMU-ZDUSSCGKSA-N 1 2 245.326 1.483 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccncc1 ZINC000489398205 388210873 /nfs/dbraw/zinc/21/08/73/388210873.db2.gz ICBRMRHJHDBAMU-ZDUSSCGKSA-N 1 2 245.326 1.483 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000449546210 388228655 /nfs/dbraw/zinc/22/86/55/388228655.db2.gz AXXUHXALMRYTJL-MNOVXSKESA-N 1 2 207.277 1.233 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cn1cnnc1 ZINC000490923287 388260294 /nfs/dbraw/zinc/26/02/94/388260294.db2.gz JWRLIDHBPDKFMW-UHFFFAOYSA-N 1 2 244.273 1.510 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cn1cnnc1 ZINC000490923287 388260295 /nfs/dbraw/zinc/26/02/95/388260295.db2.gz JWRLIDHBPDKFMW-UHFFFAOYSA-N 1 2 244.273 1.510 20 30 BDEDLO C#CC(C)(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000490650170 388245701 /nfs/dbraw/zinc/24/57/01/388245701.db2.gz LTOHVXIRZBNBCA-UHFFFAOYSA-N 1 2 227.267 1.476 20 30 BDEDLO C#C[C@H](CC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000491315920 388285105 /nfs/dbraw/zinc/28/51/05/388285105.db2.gz QRNZVBKLXMJVJI-SKVAFPRGSA-N 1 2 231.299 1.444 20 30 BDEDLO C#CCN(CC#N)Cc1cn2ccccc2[nH+]1 ZINC000491325226 388285601 /nfs/dbraw/zinc/28/56/01/388285601.db2.gz APQSSDBUKDEBKC-UHFFFAOYSA-N 1 2 224.267 1.293 20 30 BDEDLO C#CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000491337550 388285897 /nfs/dbraw/zinc/28/58/97/388285897.db2.gz BAKMXQMHJNNTSN-SNVBAGLBSA-N 1 2 223.316 1.814 20 30 BDEDLO C#CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000491337550 388285898 /nfs/dbraw/zinc/28/58/98/388285898.db2.gz BAKMXQMHJNNTSN-SNVBAGLBSA-N 1 2 223.316 1.814 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@@H](CC)C1=O ZINC000491338020 388286230 /nfs/dbraw/zinc/28/62/30/388286230.db2.gz FRUZDAUJOUVVHO-GHMZBOCLSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@@H](CC)C1=O ZINC000491338020 388286231 /nfs/dbraw/zinc/28/62/31/388286231.db2.gz FRUZDAUJOUVVHO-GHMZBOCLSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccccc1 ZINC000491339370 388286573 /nfs/dbraw/zinc/28/65/73/388286573.db2.gz PJRXMTOOHCSNGP-CQSZACIVSA-N 1 2 215.296 1.563 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccccc1 ZINC000491339370 388286575 /nfs/dbraw/zinc/28/65/75/388286575.db2.gz PJRXMTOOHCSNGP-CQSZACIVSA-N 1 2 215.296 1.563 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000491340119 388287010 /nfs/dbraw/zinc/28/70/10/388287010.db2.gz VQEGOQBBGYRJQY-AWEZNQCLSA-N 1 2 246.354 1.346 20 30 BDEDLO C=C(CC)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451830566 388299344 /nfs/dbraw/zinc/29/93/44/388299344.db2.gz JKRZIGYPUWGPJO-SECBINFHSA-N 1 2 207.264 1.901 20 30 BDEDLO C=C(CC)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451830566 388299346 /nfs/dbraw/zinc/29/93/46/388299346.db2.gz JKRZIGYPUWGPJO-SECBINFHSA-N 1 2 207.264 1.901 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491514135 388300167 /nfs/dbraw/zinc/30/01/67/388300167.db2.gz GXRSLTYNGBKBCO-GMTAPVOTSA-N 1 2 246.314 1.600 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)CCC(C)C ZINC000491515268 388300277 /nfs/dbraw/zinc/30/02/77/388300277.db2.gz MSTMHNHEMOCDOW-OLZOCXBDSA-N 1 2 225.332 1.118 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)CCC(C)C ZINC000491515268 388300279 /nfs/dbraw/zinc/30/02/79/388300279.db2.gz MSTMHNHEMOCDOW-OLZOCXBDSA-N 1 2 225.332 1.118 20 30 BDEDLO C#CC[N@@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000491554733 388303593 /nfs/dbraw/zinc/30/35/93/388303593.db2.gz LRLZKMOIVGHWFN-QGZVFWFLSA-N 1 2 247.363 1.892 20 30 BDEDLO C#CC[N@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000491554733 388303594 /nfs/dbraw/zinc/30/35/94/388303594.db2.gz LRLZKMOIVGHWFN-QGZVFWFLSA-N 1 2 247.363 1.892 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000491692506 388311379 /nfs/dbraw/zinc/31/13/79/388311379.db2.gz IOBHZEBOYIQGPR-NEPJUHHUSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000491692506 388311380 /nfs/dbraw/zinc/31/13/80/388311380.db2.gz IOBHZEBOYIQGPR-NEPJUHHUSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000491695271 388311761 /nfs/dbraw/zinc/31/17/61/388311761.db2.gz MLPNJLJOBGFNBJ-CABCVRRESA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000491695271 388311762 /nfs/dbraw/zinc/31/17/62/388311762.db2.gz MLPNJLJOBGFNBJ-CABCVRRESA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491698022 388312107 /nfs/dbraw/zinc/31/21/07/388312107.db2.gz ABZSHQRNNMDXAD-QWRGUYRKSA-N 1 2 248.330 1.675 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(COC)cc1 ZINC000491736930 388316354 /nfs/dbraw/zinc/31/63/54/388316354.db2.gz DTYXNUMVHNZUON-OAHLLOKOSA-N 1 2 245.322 1.667 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(COC)cc1 ZINC000491736930 388316355 /nfs/dbraw/zinc/31/63/55/388316355.db2.gz DTYXNUMVHNZUON-OAHLLOKOSA-N 1 2 245.322 1.667 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(COC)cc1 ZINC000491736929 388316443 /nfs/dbraw/zinc/31/64/43/388316443.db2.gz DTYXNUMVHNZUON-HNNXBMFYSA-N 1 2 245.322 1.667 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(COC)cc1 ZINC000491736929 388316444 /nfs/dbraw/zinc/31/64/44/388316444.db2.gz DTYXNUMVHNZUON-HNNXBMFYSA-N 1 2 245.322 1.667 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000491751029 388318004 /nfs/dbraw/zinc/31/80/04/388318004.db2.gz JKSDSVJJQJBBSE-QMMMGPOBSA-N 1 2 231.221 1.813 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000491751029 388318005 /nfs/dbraw/zinc/31/80/05/388318005.db2.gz JKSDSVJJQJBBSE-QMMMGPOBSA-N 1 2 231.221 1.813 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCCCC1)C1CC1 ZINC000491781366 388320505 /nfs/dbraw/zinc/32/05/05/388320505.db2.gz MELMEDKQOJRWMZ-UHFFFAOYSA-N 1 2 220.316 1.097 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCCCC1)C1CC1 ZINC000491781366 388320506 /nfs/dbraw/zinc/32/05/06/388320506.db2.gz MELMEDKQOJRWMZ-UHFFFAOYSA-N 1 2 220.316 1.097 20 30 BDEDLO C#CCN(CC#CC)Cc1c[nH+]cn1CC ZINC000491781643 388320752 /nfs/dbraw/zinc/32/07/52/388320752.db2.gz MYWKBPWLVJKNPH-UHFFFAOYSA-N 1 2 215.300 1.362 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccnc1OC ZINC000491818657 388323470 /nfs/dbraw/zinc/32/34/70/388323470.db2.gz ZCYVATXVTNXVCG-SNVBAGLBSA-N 1 2 204.273 1.544 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cccnc1OC ZINC000491818657 388323471 /nfs/dbraw/zinc/32/34/71/388323471.db2.gz ZCYVATXVTNXVCG-SNVBAGLBSA-N 1 2 204.273 1.544 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(OCC)OCC ZINC000490972592 388262809 /nfs/dbraw/zinc/26/28/09/388262809.db2.gz GVPPBYQKACYAHV-UHFFFAOYSA-N 1 2 223.316 1.344 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(OCC)OCC ZINC000490972592 388262811 /nfs/dbraw/zinc/26/28/11/388262811.db2.gz GVPPBYQKACYAHV-UHFFFAOYSA-N 1 2 223.316 1.344 20 30 BDEDLO C#CC[N@@H+](Cc1ncc(CC)o1)C1CC1 ZINC000491230264 388278794 /nfs/dbraw/zinc/27/87/94/388278794.db2.gz LQDLQWHWXJBREB-UHFFFAOYSA-N 1 2 204.273 1.835 20 30 BDEDLO C#CC[N@H+](Cc1ncc(CC)o1)C1CC1 ZINC000491230264 388278795 /nfs/dbraw/zinc/27/87/95/388278795.db2.gz LQDLQWHWXJBREB-UHFFFAOYSA-N 1 2 204.273 1.835 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000491241460 388279027 /nfs/dbraw/zinc/27/90/27/388279027.db2.gz JMSOTHIWPXYBRH-VIFPVBQESA-N 1 2 205.261 1.250 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(C)[nH]1)C1CCCC1 ZINC000491240500 388279271 /nfs/dbraw/zinc/27/92/71/388279271.db2.gz AFGGFILNVDWLFT-UHFFFAOYSA-N 1 2 218.304 1.491 20 30 BDEDLO C#CC[N@H+](Cc1nnc(C)[nH]1)C1CCCC1 ZINC000491240500 388279273 /nfs/dbraw/zinc/27/92/73/388279273.db2.gz AFGGFILNVDWLFT-UHFFFAOYSA-N 1 2 218.304 1.491 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CCC#N ZINC000492300813 388340873 /nfs/dbraw/zinc/34/08/73/388340873.db2.gz RWDMWOSDOLLBFJ-WAYWQWQTSA-N 1 2 232.287 1.288 20 30 BDEDLO CC[C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572726459 388371288 /nfs/dbraw/zinc/37/12/88/388371288.db2.gz XLDVXDMPRSHAFY-JQWIXIFHSA-N 1 2 225.336 1.383 20 30 BDEDLO Cn1ccnc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000059382805 388394941 /nfs/dbraw/zinc/39/49/41/388394941.db2.gz HIGHIESYEQLCHO-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000059382805 388394944 /nfs/dbraw/zinc/39/49/44/388394944.db2.gz HIGHIESYEQLCHO-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO CN(Cc1[nH+]ccn1C)Cc1ccc(C#N)cc1 ZINC000059382805 388394946 /nfs/dbraw/zinc/39/49/46/388394946.db2.gz HIGHIESYEQLCHO-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO N#Cc1ccsc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174752417 388442843 /nfs/dbraw/zinc/44/28/43/388442843.db2.gz HLZKIUBMAQBPAQ-UHFFFAOYSA-N 1 2 246.295 1.315 20 30 BDEDLO CC1(C#N)C[NH+](C[C@H]2CCCC[C@H]2O)C1 ZINC000515308280 256741175 /nfs/dbraw/zinc/74/11/75/256741175.db2.gz IQQZPIQAPOBQGO-GHMZBOCLSA-N 1 2 208.305 1.383 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000177523216 388485948 /nfs/dbraw/zinc/48/59/48/388485948.db2.gz AVIDQOVYBVRFDS-SNVBAGLBSA-N 1 2 241.335 1.745 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000177523216 388485950 /nfs/dbraw/zinc/48/59/50/388485950.db2.gz AVIDQOVYBVRFDS-SNVBAGLBSA-N 1 2 241.335 1.745 20 30 BDEDLO C=CCOCCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000548093594 388509683 /nfs/dbraw/zinc/50/96/83/388509683.db2.gz PESGUWRMVBJKNS-NSHDSACASA-N 1 2 237.303 1.799 20 30 BDEDLO C=CCOCCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000548093594 388509684 /nfs/dbraw/zinc/50/96/84/388509684.db2.gz PESGUWRMVBJKNS-NSHDSACASA-N 1 2 237.303 1.799 20 30 BDEDLO C[N@H+](CCCCO)Cc1nc(C#N)cs1 ZINC000356401006 388607198 /nfs/dbraw/zinc/60/71/98/388607198.db2.gz GQHRVECDUQABQO-UHFFFAOYSA-N 1 2 225.317 1.219 20 30 BDEDLO C[N@@H+](CCCCO)Cc1nc(C#N)cs1 ZINC000356401006 388607201 /nfs/dbraw/zinc/60/72/01/388607201.db2.gz GQHRVECDUQABQO-UHFFFAOYSA-N 1 2 225.317 1.219 20 30 BDEDLO N#CCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000082275299 388611790 /nfs/dbraw/zinc/61/17/90/388611790.db2.gz TZUBGXVXGOEDFA-UHFFFAOYSA-N 1 2 226.239 1.929 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC1(C#N)CC1 ZINC000137097825 388558649 /nfs/dbraw/zinc/55/86/49/388558649.db2.gz VAUMUVQTOLLJOR-ONEGZZNKSA-N 1 2 230.271 1.089 20 30 BDEDLO CC(C)(NC(=O)c1ccc(C#N)[nH]1)c1[nH]cc[nH+]1 ZINC000520594146 388669157 /nfs/dbraw/zinc/66/91/57/388669157.db2.gz FJDNYWXSMNNQQW-UHFFFAOYSA-N 1 2 243.270 1.275 20 30 BDEDLO C=C(C)COCCNc1[nH+]cnc2c1cnn2C ZINC000125682692 388674352 /nfs/dbraw/zinc/67/43/52/388674352.db2.gz SNEUPOOVPUKUFI-UHFFFAOYSA-N 1 2 247.302 1.368 20 30 BDEDLO Cc1ccc(NCCn2cc[nH+]c2)nc1C#N ZINC000302730900 388625684 /nfs/dbraw/zinc/62/56/84/388625684.db2.gz VZRGKIXCFZHRFW-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO Cn1ccnc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000057620377 388629818 /nfs/dbraw/zinc/62/98/18/388629818.db2.gz XBVBOWLULPIQBT-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000057620377 388629820 /nfs/dbraw/zinc/62/98/20/388629820.db2.gz XBVBOWLULPIQBT-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO CN(Cc1[nH+]ccn1C)Cc1cccc(C#N)c1 ZINC000057620377 388629821 /nfs/dbraw/zinc/62/98/21/388629821.db2.gz XBVBOWLULPIQBT-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO N#Cc1cccc(C[NH2+]C(CF)CF)c1 ZINC000449371960 388748311 /nfs/dbraw/zinc/74/83/11/388748311.db2.gz AKSRRUHEEQODAQ-UHFFFAOYSA-N 1 2 210.227 1.955 20 30 BDEDLO C=CCC[C@H](CC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000249135829 388710243 /nfs/dbraw/zinc/71/02/43/388710243.db2.gz VKJVYXGAYOSBKL-DCAQKATOSA-N 1 2 229.320 1.243 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC000125891092 388812709 /nfs/dbraw/zinc/81/27/09/388812709.db2.gz ZFTRJACKCTVWHW-SNVBAGLBSA-N 1 2 227.271 1.650 20 30 BDEDLO C=CCOCC[NH2+][C@](C)(CC)C(=O)OC ZINC000293813511 135377187 /nfs/dbraw/zinc/37/71/87/135377187.db2.gz OHXVQABHPGZXRK-LLVKDONJSA-N 1 2 215.293 1.120 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000125546303 388790266 /nfs/dbraw/zinc/79/02/66/388790266.db2.gz UYFWWKKLQGXNNL-JTQLQIEISA-N 1 2 220.272 1.762 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000125546303 388790270 /nfs/dbraw/zinc/79/02/70/388790270.db2.gz UYFWWKKLQGXNNL-JTQLQIEISA-N 1 2 220.272 1.762 20 30 BDEDLO C[N@H+](CCC#N)CCC(=O)OC(C)(C)C ZINC000129809875 388872384 /nfs/dbraw/zinc/87/23/84/388872384.db2.gz XWXJMQJGSJDGNO-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO C[N@@H+](CCC#N)CCC(=O)OC(C)(C)C ZINC000129809875 388872387 /nfs/dbraw/zinc/87/23/87/388872387.db2.gz XWXJMQJGSJDGNO-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000564875307 388895613 /nfs/dbraw/zinc/89/56/13/388895613.db2.gz AYYOVANIWCFPOW-WDEREUQCSA-N 1 2 246.314 1.161 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000363106631 533500986 /nfs/dbraw/zinc/50/09/86/533500986.db2.gz SHTWSILGDQOSAL-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000363106631 533500993 /nfs/dbraw/zinc/50/09/93/533500993.db2.gz SHTWSILGDQOSAL-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1ncccc1C#N)CC2 ZINC000371706638 132285374 /nfs/dbraw/zinc/28/53/74/132285374.db2.gz JSRPKPIUPMJUIT-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000271131581 133540431 /nfs/dbraw/zinc/54/04/31/133540431.db2.gz OQBLZTOMMWJNLB-JTQLQIEISA-N 1 2 233.319 1.134 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000271131581 133540432 /nfs/dbraw/zinc/54/04/32/133540432.db2.gz OQBLZTOMMWJNLB-JTQLQIEISA-N 1 2 233.319 1.134 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCCO1 ZINC000330245063 133998724 /nfs/dbraw/zinc/99/87/24/133998724.db2.gz KOTKNXNIMPCUSO-GHMZBOCLSA-N 1 2 249.314 1.724 20 30 BDEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000331383328 134000021 /nfs/dbraw/zinc/00/00/21/134000021.db2.gz KCHNFGHJMOLNJC-LBPRGKRZSA-N 1 2 249.358 1.671 20 30 BDEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000331383328 134000022 /nfs/dbraw/zinc/00/00/22/134000022.db2.gz KCHNFGHJMOLNJC-LBPRGKRZSA-N 1 2 249.358 1.671 20 30 BDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000336190300 134123431 /nfs/dbraw/zinc/12/34/31/134123431.db2.gz BAHXPJOIBGNULO-NSHDSACASA-N 1 2 235.331 1.281 20 30 BDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000336190300 134123432 /nfs/dbraw/zinc/12/34/32/134123432.db2.gz BAHXPJOIBGNULO-NSHDSACASA-N 1 2 235.331 1.281 20 30 BDEDLO C=CCCC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000358159732 134187017 /nfs/dbraw/zinc/18/70/17/134187017.db2.gz CRRZKKNLOUDUBP-UHFFFAOYSA-N 1 2 245.326 1.972 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000358533120 134190290 /nfs/dbraw/zinc/19/02/90/134190290.db2.gz ULPXPIOMDJCXBA-JTQLQIEISA-N 1 2 229.283 1.401 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC(C)(C)C#N ZINC000358628480 134191179 /nfs/dbraw/zinc/19/11/79/134191179.db2.gz QXCLRDZGQHCRQJ-UHFFFAOYSA-N 1 2 249.318 1.111 20 30 BDEDLO C=CCN(CCC#N)C(=O)Cc1[nH]c[nH+]c1C ZINC000359435861 134195203 /nfs/dbraw/zinc/19/52/03/134195203.db2.gz MGBCOOPHSCZRAC-UHFFFAOYSA-N 1 2 232.287 1.189 20 30 BDEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)C[C@@]2(CCOC2)O1 ZINC000361525569 134206296 /nfs/dbraw/zinc/20/62/96/134206296.db2.gz OBABPZYECMDDNI-WCQYABFASA-N 1 2 236.315 1.170 20 30 BDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@@]2(CCOC2)O1 ZINC000361525569 134206297 /nfs/dbraw/zinc/20/62/97/134206297.db2.gz OBABPZYECMDDNI-WCQYABFASA-N 1 2 236.315 1.170 20 30 BDEDLO C[C@@H](C#N)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000368253711 134217782 /nfs/dbraw/zinc/21/77/82/134217782.db2.gz MOXGCDQXCIWLMY-WDEREUQCSA-N 1 2 218.304 1.197 20 30 BDEDLO C[C@@H](C#N)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000368253711 134217783 /nfs/dbraw/zinc/21/77/83/134217783.db2.gz MOXGCDQXCIWLMY-WDEREUQCSA-N 1 2 218.304 1.197 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000368512788 134218520 /nfs/dbraw/zinc/21/85/20/134218520.db2.gz XJQVMSIIZTWTAP-NEPJUHHUSA-N 1 2 224.304 1.170 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000368512788 134218521 /nfs/dbraw/zinc/21/85/21/134218521.db2.gz XJQVMSIIZTWTAP-NEPJUHHUSA-N 1 2 224.304 1.170 20 30 BDEDLO CC[C@H]1C[N@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000369537099 134222739 /nfs/dbraw/zinc/22/27/39/134222739.db2.gz NJWNWWNHRDAVPW-QWHCGFSZSA-N 1 2 238.331 1.560 20 30 BDEDLO CC[C@H]1C[N@@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000369537099 134222740 /nfs/dbraw/zinc/22/27/40/134222740.db2.gz NJWNWWNHRDAVPW-QWHCGFSZSA-N 1 2 238.331 1.560 20 30 BDEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000369906052 134223302 /nfs/dbraw/zinc/22/33/02/134223302.db2.gz KTZFHOHLFBUCLK-GFCCVEGCSA-N 1 2 247.346 1.952 20 30 BDEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000369906052 134223303 /nfs/dbraw/zinc/22/33/03/134223303.db2.gz KTZFHOHLFBUCLK-GFCCVEGCSA-N 1 2 247.346 1.952 20 30 BDEDLO CC[N@@H+](Cc1cncnc1)C[C@H](C)C#N ZINC000120468942 134229672 /nfs/dbraw/zinc/22/96/72/134229672.db2.gz XQOYSRPJZICKHI-SNVBAGLBSA-N 1 2 204.277 1.458 20 30 BDEDLO CC[N@H+](Cc1cncnc1)C[C@H](C)C#N ZINC000120468942 134229673 /nfs/dbraw/zinc/22/96/73/134229673.db2.gz XQOYSRPJZICKHI-SNVBAGLBSA-N 1 2 204.277 1.458 20 30 BDEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCC#N ZINC000374297479 134236392 /nfs/dbraw/zinc/23/63/92/134236392.db2.gz QTBJCFWVRSCPFF-LBPRGKRZSA-N 1 2 248.330 1.704 20 30 BDEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCC#N ZINC000374297479 134236393 /nfs/dbraw/zinc/23/63/93/134236393.db2.gz QTBJCFWVRSCPFF-LBPRGKRZSA-N 1 2 248.330 1.704 20 30 BDEDLO COC(=O)c1occc1C[NH2+]CC(C)(C)C#N ZINC000168939357 134249042 /nfs/dbraw/zinc/24/90/42/134249042.db2.gz NSOABAWEYCMLRM-UHFFFAOYSA-N 1 2 236.271 1.706 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(C)C ZINC000173546243 134275558 /nfs/dbraw/zinc/27/55/58/134275558.db2.gz PAFKAFJHJYKVNE-UHFFFAOYSA-N 1 2 239.363 1.773 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC(C)C ZINC000173546243 134275559 /nfs/dbraw/zinc/27/55/59/134275559.db2.gz PAFKAFJHJYKVNE-UHFFFAOYSA-N 1 2 239.363 1.773 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000337147839 135003048 /nfs/dbraw/zinc/00/30/48/135003048.db2.gz ZLBQYPQNORZDJS-LBPRGKRZSA-N 1 2 234.299 1.498 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000337147839 135003050 /nfs/dbraw/zinc/00/30/50/135003050.db2.gz ZLBQYPQNORZDJS-LBPRGKRZSA-N 1 2 234.299 1.498 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnoc2C)C1=O ZINC000337232657 135009801 /nfs/dbraw/zinc/00/98/01/135009801.db2.gz VUTLCFVMXNZOHV-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnoc2C)C1=O ZINC000337232657 135009804 /nfs/dbraw/zinc/00/98/04/135009804.db2.gz VUTLCFVMXNZOHV-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO CC[C@H](C)[C@@H]([NH2+]CCOCCC#N)C(=O)OC ZINC000339085653 135055267 /nfs/dbraw/zinc/05/52/67/135055267.db2.gz KJUAAVSXHRNNDJ-WDEREUQCSA-N 1 2 242.319 1.094 20 30 BDEDLO C[C@@H]1C[NH+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](C)S1=O ZINC000339126134 135060247 /nfs/dbraw/zinc/06/02/47/135060247.db2.gz FROBSLWSKWHBGE-WISYIIOYSA-N 1 2 240.372 1.520 20 30 BDEDLO C=CCCOCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000339702428 135077744 /nfs/dbraw/zinc/07/77/44/135077744.db2.gz QYOAHGUDTABEGV-UHFFFAOYSA-N 1 2 246.314 1.693 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC#CC ZINC000339766009 135081753 /nfs/dbraw/zinc/08/17/53/135081753.db2.gz LVHWGFFVJXQVRG-UHFFFAOYSA-N 1 2 220.316 1.142 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC#CC ZINC000339766009 135081754 /nfs/dbraw/zinc/08/17/54/135081754.db2.gz LVHWGFFVJXQVRG-UHFFFAOYSA-N 1 2 220.316 1.142 20 30 BDEDLO Cc1ccncc1C[N@@H+](C)C[C@H](C)C#N ZINC000269589413 135165447 /nfs/dbraw/zinc/16/54/47/135165447.db2.gz RWARFPZUTXLZLY-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccncc1C[N@H+](C)C[C@H](C)C#N ZINC000269589413 135165448 /nfs/dbraw/zinc/16/54/48/135165448.db2.gz RWARFPZUTXLZLY-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccc2[nH+]c(CN3CC(C)(C#N)C3)cn2c1 ZINC000297343327 135195212 /nfs/dbraw/zinc/19/52/12/135195212.db2.gz FHJDXQDMOJRWEJ-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO Oc1cccc(/C=[NH+]/C[C@H]2CCOC2)c1O ZINC000298440723 135199290 /nfs/dbraw/zinc/19/92/90/135199290.db2.gz VCSKJMQRUGZWSX-MRACZJACSA-N 1 2 221.256 1.553 20 30 BDEDLO CC#CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353682145 135268519 /nfs/dbraw/zinc/26/85/19/135268519.db2.gz YBVHEPVJZRSYNW-UHFFFAOYSA-N 1 2 242.282 1.869 20 30 BDEDLO Cc1c[nH+]c(CN(CC#N)C2CCCC2)n1C ZINC000342795699 135319987 /nfs/dbraw/zinc/31/99/87/135319987.db2.gz HGXKBYIOOKZOQL-UHFFFAOYSA-N 1 2 232.331 1.997 20 30 BDEDLO Cc1cc(C)n(CC[N@@H+](C)[C@@H](C)CC#N)n1 ZINC000268325113 135363985 /nfs/dbraw/zinc/36/39/85/135363985.db2.gz VMNDVKFQRNMNJJ-NSHDSACASA-N 1 2 220.320 1.734 20 30 BDEDLO Cc1cc(C)n(CC[N@H+](C)[C@@H](C)CC#N)n1 ZINC000268325113 135363987 /nfs/dbraw/zinc/36/39/87/135363987.db2.gz VMNDVKFQRNMNJJ-NSHDSACASA-N 1 2 220.320 1.734 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000290735551 135374355 /nfs/dbraw/zinc/37/43/55/135374355.db2.gz BJDXEAUOBPHQRW-JTQLQIEISA-N 1 2 219.288 1.621 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000299900943 135381363 /nfs/dbraw/zinc/38/13/63/135381363.db2.gz BDBYXVVBKSTLMH-QMTHXVAHSA-N 1 2 248.301 1.900 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000299900943 135381364 /nfs/dbraw/zinc/38/13/64/135381364.db2.gz BDBYXVVBKSTLMH-QMTHXVAHSA-N 1 2 248.301 1.900 20 30 BDEDLO N#Cc1cccc(NCCn2cc[nH+]c2)n1 ZINC000081595791 135387066 /nfs/dbraw/zinc/38/70/66/135387066.db2.gz XVYYTYQUSVCXST-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1sccc1C#N ZINC000335295892 136006358 /nfs/dbraw/zinc/00/63/58/136006358.db2.gz BXPDCRAVAJBVPV-UHFFFAOYSA-N 1 2 246.295 1.581 20 30 BDEDLO C=CCOCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347975126 136022535 /nfs/dbraw/zinc/02/25/35/136022535.db2.gz FJLSJJMMTBQLNA-JTQLQIEISA-N 1 2 235.287 1.276 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nnc2ccccn21 ZINC000348191927 136049152 /nfs/dbraw/zinc/04/91/52/136049152.db2.gz ICGSHUOQNXWSBO-JTQLQIEISA-N 1 2 241.298 1.684 20 30 BDEDLO C#C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000491277956 397801312 /nfs/dbraw/zinc/80/13/12/397801312.db2.gz QXBUIECXPWSSAS-JTQLQIEISA-N 1 2 219.288 1.047 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440525826 397930002 /nfs/dbraw/zinc/93/00/02/397930002.db2.gz OBCZVFXICVZKNG-UHFFFAOYSA-N 1 2 249.240 1.243 20 30 BDEDLO C=CCC[N@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440525826 397930004 /nfs/dbraw/zinc/93/00/04/397930004.db2.gz OBCZVFXICVZKNG-UHFFFAOYSA-N 1 2 249.240 1.243 20 30 BDEDLO N#CCC[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000591765806 397934674 /nfs/dbraw/zinc/93/46/74/397934674.db2.gz IXAHAUNYYWDTBJ-UHFFFAOYSA-N 1 2 214.272 1.609 20 30 BDEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1O ZINC000336348802 397936799 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/nfs/dbraw/zinc/36/54/47/166365447.db2.gz DUBFWSCYAPDECG-UHFFFAOYSA-N 1 2 248.248 1.483 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000158103043 166368613 /nfs/dbraw/zinc/36/86/13/166368613.db2.gz HUXMHDOYWYLREY-UHFFFAOYSA-N 1 2 248.301 1.486 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000158103043 166368617 /nfs/dbraw/zinc/36/86/17/166368617.db2.gz HUXMHDOYWYLREY-UHFFFAOYSA-N 1 2 248.301 1.486 20 30 BDEDLO N#CC[C@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000591977460 411131863 /nfs/dbraw/zinc/13/18/63/411131863.db2.gz ZONVXAKVYXXMRP-ZDUSSCGKSA-N 1 2 244.298 1.209 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493541202 411138957 /nfs/dbraw/zinc/13/89/57/411138957.db2.gz BUCBWHORSHLBJL-XUIVZRPNSA-N 1 2 231.299 1.990 20 30 BDEDLO C=CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651774011 411143142 /nfs/dbraw/zinc/14/31/42/411143142.db2.gz JEDZRUWPPZSZQS-UHFFFAOYSA-N 1 2 233.315 1.406 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653636290 411154182 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/nfs/dbraw/zinc/61/68/48/411616848.db2.gz BXIZZPRWDRNWBC-UWVGGRQHSA-N 1 2 236.319 1.745 20 30 BDEDLO C=CCCC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843730 411652735 /nfs/dbraw/zinc/65/27/35/411652735.db2.gz CCNFLEKKPUOAEG-SECBINFHSA-N 1 2 225.292 1.952 20 30 BDEDLO C=CCCC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843730 411652738 /nfs/dbraw/zinc/65/27/38/411652738.db2.gz CCNFLEKKPUOAEG-SECBINFHSA-N 1 2 225.292 1.952 20 30 BDEDLO N#CC1(C[NH+]2CCC(c3nnc(N)o3)CC2)CC1 ZINC000602868461 411963900 /nfs/dbraw/zinc/96/39/00/411963900.db2.gz HVWWCIUZKCMWAH-UHFFFAOYSA-N 1 2 247.302 1.135 20 30 BDEDLO C=C(C)CN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662097073 411986278 /nfs/dbraw/zinc/98/62/78/411986278.db2.gz XGCGZKHFIKBPFV-SNVBAGLBSA-N 1 2 236.319 1.699 20 30 BDEDLO C#C[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC000491349846 412052042 /nfs/dbraw/zinc/05/20/42/412052042.db2.gz KPWSYNGACHNBSU-SNVBAGLBSA-N 1 2 233.319 1.316 20 30 BDEDLO C#C[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000491349846 412052044 /nfs/dbraw/zinc/05/20/44/412052044.db2.gz KPWSYNGACHNBSU-SNVBAGLBSA-N 1 2 233.319 1.316 20 30 BDEDLO CC[C@@H]1C[N@H+](CCC#N)C[C@@]2(CCOC2)O1 ZINC000366579822 171079203 /nfs/dbraw/zinc/07/92/03/171079203.db2.gz WVTLNKSQZSUDRO-VXGBXAGGSA-N 1 2 224.304 1.170 20 30 BDEDLO CC[C@@H]1C[N@@H+](CCC#N)C[C@@]2(CCOC2)O1 ZINC000366579822 171079204 /nfs/dbraw/zinc/07/92/04/171079204.db2.gz WVTLNKSQZSUDRO-VXGBXAGGSA-N 1 2 224.304 1.170 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+](CCC#N)CC(C)C ZINC000049800774 171323122 /nfs/dbraw/zinc/32/31/22/171323122.db2.gz KRMKVDWZECCCEP-LBPRGKRZSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000049800774 171323123 /nfs/dbraw/zinc/32/31/23/171323123.db2.gz KRMKVDWZECCCEP-LBPRGKRZSA-N 1 2 239.363 1.773 20 30 BDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000122646271 172383951 /nfs/dbraw/zinc/38/39/51/172383951.db2.gz UCMZIXCZKHUXKK-LBPRGKRZSA-N 1 2 247.298 1.204 20 30 BDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000122646271 172383954 /nfs/dbraw/zinc/38/39/54/172383954.db2.gz UCMZIXCZKHUXKK-LBPRGKRZSA-N 1 2 247.298 1.204 20 30 BDEDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1=O ZINC000271210125 173120150 /nfs/dbraw/zinc/12/01/50/173120150.db2.gz UFHKPBBWYOZTAZ-LLVKDONJSA-N 1 2 249.339 1.282 20 30 BDEDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1=O ZINC000271210125 173120152 /nfs/dbraw/zinc/12/01/52/173120152.db2.gz UFHKPBBWYOZTAZ-LLVKDONJSA-N 1 2 249.339 1.282 20 30 BDEDLO CN1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1=O ZINC000265666066 173148899 /nfs/dbraw/zinc/14/88/99/173148899.db2.gz VEMKSRDAHZGKMB-ZDUSSCGKSA-N 1 2 243.310 1.221 20 30 BDEDLO CN1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1=O ZINC000265666066 173148901 /nfs/dbraw/zinc/14/89/01/173148901.db2.gz VEMKSRDAHZGKMB-ZDUSSCGKSA-N 1 2 243.310 1.221 20 30 BDEDLO CNc1ccc(Nc2nc(C)cc(C#N)n2)c[nH+]1 ZINC000341725251 173210101 /nfs/dbraw/zinc/21/01/01/173210101.db2.gz XZWDFYMOSYAQLT-UHFFFAOYSA-N 1 2 240.270 1.259 20 30 BDEDLO COCC1(C#N)CC[NH+](Cc2ncc(C)o2)CC1 ZINC000341983751 174083948 /nfs/dbraw/zinc/08/39/48/174083948.db2.gz VBYJTUGTQOCCRR-UHFFFAOYSA-N 1 2 249.314 1.735 20 30 BDEDLO COC[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356056575 174447345 /nfs/dbraw/zinc/44/73/45/174447345.db2.gz MPFGQPTZBYHOPG-MRVPVSSYSA-N 1 2 225.317 1.481 20 30 BDEDLO COC[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356056575 174447346 /nfs/dbraw/zinc/44/73/46/174447346.db2.gz MPFGQPTZBYHOPG-MRVPVSSYSA-N 1 2 225.317 1.481 20 30 BDEDLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1C#N ZINC000087833088 175101571 /nfs/dbraw/zinc/10/15/71/175101571.db2.gz OMFJUJIPSOVXLL-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1C#N ZINC000087833088 175101572 /nfs/dbraw/zinc/10/15/72/175101572.db2.gz OMFJUJIPSOVXLL-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc[nH+]c(Cn2ccnc2C#N)c1 ZINC000356161013 175361529 /nfs/dbraw/zinc/36/15/29/175361529.db2.gz CBFKHQDJNWIQCM-UHFFFAOYSA-N 1 2 214.228 1.207 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cccnc1C#N ZINC000129924736 175783636 /nfs/dbraw/zinc/78/36/36/175783636.db2.gz FKUDBCGWHRAEID-JTQLQIEISA-N 1 2 227.271 1.650 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356318543 176178015 /nfs/dbraw/zinc/17/80/15/176178015.db2.gz LRMRHNYCRAPHLV-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356318543 176178016 /nfs/dbraw/zinc/17/80/16/176178016.db2.gz LRMRHNYCRAPHLV-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191862305 176303102 /nfs/dbraw/zinc/30/31/02/176303102.db2.gz JUWQCZRNJQZPOQ-SNVBAGLBSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191862305 176303104 /nfs/dbraw/zinc/30/31/04/176303104.db2.gz JUWQCZRNJQZPOQ-SNVBAGLBSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000189340702 177035490 /nfs/dbraw/zinc/03/54/90/177035490.db2.gz BKUVWHGROYZXLL-LLVKDONJSA-N 1 2 216.284 1.951 20 30 BDEDLO N#CCCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493130787 226136185 /nfs/dbraw/zinc/13/61/85/226136185.db2.gz XCQZMLZPEXDKFL-ONEGZZNKSA-N 1 2 243.270 1.079 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000495043202 226274955 /nfs/dbraw/zinc/27/49/55/226274955.db2.gz AMDXDZAPGJEPEP-SNVBAGLBSA-N 1 2 241.335 1.603 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000495043202 226274956 /nfs/dbraw/zinc/27/49/56/226274956.db2.gz AMDXDZAPGJEPEP-SNVBAGLBSA-N 1 2 241.335 1.603 20 30 BDEDLO Cc1cc(N2C[C@H](C)C[C@H](O)C2)c(C#N)c[nH+]1 ZINC000401690313 226361574 /nfs/dbraw/zinc/36/15/74/226361574.db2.gz PTAWYQJFDIPYNR-SKDRFNHKSA-N 1 2 231.299 1.469 20 30 BDEDLO Cc1cc(NCCC[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000402172093 226366343 /nfs/dbraw/zinc/36/63/43/226366343.db2.gz VPJMYFFTJRSDEG-LBPRGKRZSA-N 1 2 245.326 1.912 20 30 BDEDLO Cc1cc(NC[C@@H](O)C(F)(F)F)c(C#N)c[nH+]1 ZINC000398988078 262773430 /nfs/dbraw/zinc/77/34/30/262773430.db2.gz IOHKIQMKOKRVCB-SECBINFHSA-N 1 2 245.204 1.019 20 30 BDEDLO COC1(CNc2cc(C)[nH+]cc2C#N)CCC1 ZINC000399405010 262783153 /nfs/dbraw/zinc/78/31/53/262783153.db2.gz XMQSIFOQSOLDLJ-UHFFFAOYSA-N 1 2 231.299 1.665 20 30 BDEDLO C=CCCN(C)c1nc[nH+]c2c1OCCN2 ZINC000665713975 487737217 /nfs/dbraw/zinc/73/72/17/487737217.db2.gz VNUOSWPWBCWIGZ-UHFFFAOYSA-N 1 2 220.276 1.293 20 30 BDEDLO C=CCCN(C)c1[nH+]cnc2c1OCCN2 ZINC000665713975 487737218 /nfs/dbraw/zinc/73/72/18/487737218.db2.gz VNUOSWPWBCWIGZ-UHFFFAOYSA-N 1 2 220.276 1.293 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000681168677 487742405 /nfs/dbraw/zinc/74/24/05/487742405.db2.gz DWSZWWAMZDTILM-KBPBESRZSA-N 1 2 239.359 1.914 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000681168677 487742410 /nfs/dbraw/zinc/74/24/10/487742410.db2.gz DWSZWWAMZDTILM-KBPBESRZSA-N 1 2 239.359 1.914 20 30 BDEDLO C=CCCC[N@@H+](C)Cn1ccsc1=O ZINC000746621056 585171333 /nfs/dbraw/zinc/17/13/33/585171333.db2.gz QUCTVQQAGTYPAL-UHFFFAOYSA-N 1 2 212.318 1.765 20 30 BDEDLO C=CCCC[N@H+](C)Cn1ccsc1=O ZINC000746621056 585171334 /nfs/dbraw/zinc/17/13/34/585171334.db2.gz QUCTVQQAGTYPAL-UHFFFAOYSA-N 1 2 212.318 1.765 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000839581482 585330856 /nfs/dbraw/zinc/33/08/56/585330856.db2.gz TXSRVWSMEPVBDD-JTQLQIEISA-N 1 2 221.728 1.457 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](CO)COC(C)C ZINC000839581482 585330857 /nfs/dbraw/zinc/33/08/57/585330857.db2.gz TXSRVWSMEPVBDD-JTQLQIEISA-N 1 2 221.728 1.457 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000839594291 585331139 /nfs/dbraw/zinc/33/11/39/585331139.db2.gz OKWSRRPWJQNGRY-DTWKUNHWSA-N 1 2 218.247 1.645 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000839594291 585331140 /nfs/dbraw/zinc/33/11/40/585331140.db2.gz OKWSRRPWJQNGRY-DTWKUNHWSA-N 1 2 218.247 1.645 20 30 BDEDLO C#CC[N@H+](CC(=O)OCC(C)C)C(C)(C)C ZINC000932464235 640539169 /nfs/dbraw/zinc/53/91/69/640539169.db2.gz VZQJTGUMDIHSTC-UHFFFAOYSA-N 1 2 225.332 1.919 20 30 BDEDLO C=CCN(CCOC)c1cc(CO)cc[nH+]1 ZINC000234726591 487868573 /nfs/dbraw/zinc/86/85/73/487868573.db2.gz WLNMAKKGQIEORQ-UHFFFAOYSA-N 1 2 222.288 1.213 20 30 BDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609658 487872181 /nfs/dbraw/zinc/87/21/81/487872181.db2.gz NMGFWZQLEXETOX-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609658 487872186 /nfs/dbraw/zinc/87/21/86/487872186.db2.gz NMGFWZQLEXETOX-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(CCOC)CC1 ZINC000677133407 487894742 /nfs/dbraw/zinc/89/47/42/487894742.db2.gz UPTPVKHKNOEFKQ-ZDUSSCGKSA-N 1 2 224.348 1.052 20 30 BDEDLO C=CCCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000682414751 487952805 /nfs/dbraw/zinc/95/28/05/487952805.db2.gz LVZVMZIKBCFVDM-UHFFFAOYSA-N 1 2 229.287 1.675 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cccnc1N ZINC000569503143 322968320 /nfs/dbraw/zinc/96/83/20/322968320.db2.gz WDBLSNIGBOWCOA-SNVBAGLBSA-N 1 2 204.277 1.446 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CC(C)(C)O1 ZINC000562382989 323018807 /nfs/dbraw/zinc/01/88/07/323018807.db2.gz GMBIBWLWORABCQ-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC(C)(C)O1 ZINC000562382989 323018808 /nfs/dbraw/zinc/01/88/08/323018808.db2.gz GMBIBWLWORABCQ-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO CN(C)c1cccnc1C[NH2+]CCC#N ZINC000570203227 323052493 /nfs/dbraw/zinc/05/24/93/323052493.db2.gz YNGSEKFGYOYJQA-UHFFFAOYSA-N 1 2 204.277 1.151 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493856670 323087528 /nfs/dbraw/zinc/08/75/28/323087528.db2.gz PMLZIJOBZUDZRC-AAOUONPWSA-N 1 2 230.271 1.231 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563202983 323101592 /nfs/dbraw/zinc/10/15/92/323101592.db2.gz KCAPFEOBFRAKHR-GHMZBOCLSA-N 1 2 246.314 1.254 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@H]1C=CCCC1 ZINC000563220575 323104503 /nfs/dbraw/zinc/10/45/03/323104503.db2.gz RHUPTXDWHXCWTG-JSGCOSHPSA-N 1 2 249.358 1.693 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1C=CCC1 ZINC000563852151 323180818 /nfs/dbraw/zinc/18/08/18/323180818.db2.gz NDRYAAYFWUZJDU-YPMHNXCESA-N 1 2 235.331 1.303 20 30 BDEDLO CCn1nccc1CNc1cc(CC#N)cc[nH+]1 ZINC000547339921 323193235 /nfs/dbraw/zinc/19/32/35/323193235.db2.gz AVGVWZHKKNJLBU-UHFFFAOYSA-N 1 2 241.298 1.976 20 30 BDEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000532553472 323276484 /nfs/dbraw/zinc/27/64/84/323276484.db2.gz CHNRFNRANKNCRP-LLVKDONJSA-N 1 2 246.314 1.456 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000677047112 487957835 /nfs/dbraw/zinc/95/78/35/487957835.db2.gz SKDWFILGAAGFMS-LBPRGKRZSA-N 1 2 237.347 1.088 20 30 BDEDLO CC#CCN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667249199 487961732 /nfs/dbraw/zinc/96/17/32/487961732.db2.gz NXZMCJYAYGLXKC-SNVBAGLBSA-N 1 2 234.303 1.146 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000060462881 324035913 /nfs/dbraw/zinc/03/59/13/324035913.db2.gz WWAMSXWKOFLEDG-UHFFFAOYSA-N 1 2 248.351 1.912 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000060462881 324035915 /nfs/dbraw/zinc/03/59/15/324035915.db2.gz WWAMSXWKOFLEDG-UHFFFAOYSA-N 1 2 248.351 1.912 20 30 BDEDLO C=CCCOCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565192750 325405197 /nfs/dbraw/zinc/40/51/97/325405197.db2.gz WHWQOHSLMJVYQX-UHFFFAOYSA-N 1 2 240.347 1.037 20 30 BDEDLO N#CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153628748 326104534 /nfs/dbraw/zinc/10/45/34/326104534.db2.gz FHINLYMYWGSBAI-UHFFFAOYSA-N 1 2 244.229 1.864 20 30 BDEDLO N#Cc1cnccc1NCCn1cc[nH+]c1 ZINC000309529808 326157460 /nfs/dbraw/zinc/15/74/60/326157460.db2.gz CWCQLNUROMZJGN-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO C[C@@H](CC(=O)NC1(C#N)CCCC1)n1cc[nH+]c1 ZINC000567986394 326291772 /nfs/dbraw/zinc/29/17/72/326291772.db2.gz PPRMXLKMJNDNDA-NSHDSACASA-N 1 2 246.314 1.787 20 30 BDEDLO Cc1cccc2nc(C[NH2+]CCC#N)cn21 ZINC000568384619 326352465 /nfs/dbraw/zinc/35/24/65/326352465.db2.gz SQTQTFFPSSOVKQ-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO Cc1cccc2[nH+]c(CNCCC#N)cn21 ZINC000568384619 326352467 /nfs/dbraw/zinc/35/24/67/326352467.db2.gz SQTQTFFPSSOVKQ-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO CC[C@H](C)[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573124190 326431124 /nfs/dbraw/zinc/43/11/24/326431124.db2.gz VFPOAXLZZQCQSB-DMDPSCGWSA-N 1 2 239.363 1.629 20 30 BDEDLO C=CCCN(C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081912 488067825 /nfs/dbraw/zinc/06/78/25/488067825.db2.gz CKJOPNAPEXHPQT-UHFFFAOYSA-N 1 2 248.330 1.609 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(OC)cc(C)n1 ZINC000298384514 487675431 /nfs/dbraw/zinc/67/54/31/487675431.db2.gz DKPNNBWYNIJMKN-UHFFFAOYSA-N 1 2 204.273 1.464 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(OC)cc(C)n1 ZINC000298384514 487675433 /nfs/dbraw/zinc/67/54/33/487675433.db2.gz DKPNNBWYNIJMKN-UHFFFAOYSA-N 1 2 204.273 1.464 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000678049113 488186135 /nfs/dbraw/zinc/18/61/35/488186135.db2.gz DWYZTFPIPXVEDU-AAEUAGOBSA-N 1 2 237.299 1.590 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000678049113 488186138 /nfs/dbraw/zinc/18/61/38/488186138.db2.gz DWYZTFPIPXVEDU-AAEUAGOBSA-N 1 2 237.299 1.590 20 30 BDEDLO COC(=O)[C@H]1CCC[C@@H]([NH+]2CC(C#N)C2)CC1 ZINC001172780921 974940433 /nfs/dbraw/zinc/94/04/33/974940433.db2.gz GSBAUGGVKPUJFG-NWDGAFQWSA-N 1 2 236.315 1.564 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(CCOC)c1 ZINC000273817758 535725441 /nfs/dbraw/zinc/72/54/41/535725441.db2.gz CFZLQDCDGDCYPB-LBPRGKRZSA-N 1 2 236.319 1.311 20 30 BDEDLO C=C(C)CN(CC)c1nc(N)[nH+]c(C2CC2)n1 ZINC000891722981 582714283 /nfs/dbraw/zinc/71/42/83/582714283.db2.gz FVKXLIQOTQTBEI-UHFFFAOYSA-N 1 2 233.319 1.734 20 30 BDEDLO C=C(C)CN(CC)c1nc(N)nc(C2CC2)[nH+]1 ZINC000891722981 582714285 /nfs/dbraw/zinc/71/42/85/582714285.db2.gz FVKXLIQOTQTBEI-UHFFFAOYSA-N 1 2 233.319 1.734 20 30 BDEDLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000336223779 536085830 /nfs/dbraw/zinc/08/58/30/536085830.db2.gz VTRGACVPQQJVCP-NOZJJQNGSA-N 1 2 229.283 1.554 20 30 BDEDLO Cc1cc(NC[C@]2(O)CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000398994220 518186295 /nfs/dbraw/zinc/18/62/95/518186295.db2.gz 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/nfs/dbraw/zinc/65/55/37/526655537.db2.gz XMLSFOJLLHLSMK-UHFFFAOYSA-N 1 2 232.331 1.765 20 30 BDEDLO C#CCN(CC#CC)Cc1c[nH+]c2ccccn12 ZINC000491221052 526865325 /nfs/dbraw/zinc/86/53/25/526865325.db2.gz SKXUXPMYCFGCHN-UHFFFAOYSA-N 1 2 237.306 1.793 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc2ccccn12 ZINC000491221052 526865326 /nfs/dbraw/zinc/86/53/26/526865326.db2.gz SKXUXPMYCFGCHN-UHFFFAOYSA-N 1 2 237.306 1.793 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc2ccccn12 ZINC000491221052 526865328 /nfs/dbraw/zinc/86/53/28/526865328.db2.gz SKXUXPMYCFGCHN-UHFFFAOYSA-N 1 2 237.306 1.793 20 30 BDEDLO C=C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493301035 526893341 /nfs/dbraw/zinc/89/33/41/526893341.db2.gz LRSKMXHMWCCSHH-NSCUHMNNSA-N 1 2 217.272 1.602 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493082259 526985641 /nfs/dbraw/zinc/98/56/41/526985641.db2.gz HRCSLHWKNMKVEO-SNAWJCMRSA-N 1 2 246.314 1.869 20 30 BDEDLO C=CCCCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000488104037 527138256 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/nfs/dbraw/zinc/73/76/72/588737672.db2.gz UFSNTOBCMWLUHT-LLVKDONJSA-N 1 2 236.319 1.220 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN1CCCC[C@H]1C ZINC000853379368 588739256 /nfs/dbraw/zinc/73/92/56/588739256.db2.gz HUBOLKBPGLXTLN-SECBINFHSA-N 1 2 206.293 1.926 20 30 BDEDLO CC(C)n1cc[nH+]c1CN=Nc1ccncc1F ZINC000853402774 588741433 /nfs/dbraw/zinc/74/14/33/588741433.db2.gz KTFCNUQDKZXIQG-UHFFFAOYSA-N 1 2 247.277 1.866 20 30 BDEDLO C=CC[N@@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853507608 588746562 /nfs/dbraw/zinc/74/65/62/588746562.db2.gz VBXVXZWPLVVPHN-NSHDSACASA-N 1 2 210.321 1.566 20 30 BDEDLO C=CC[N@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853507608 588746563 /nfs/dbraw/zinc/74/65/63/588746563.db2.gz VBXVXZWPLVVPHN-NSHDSACASA-N 1 2 210.321 1.566 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@H](C(C)C)C1=O ZINC000853509493 588746582 /nfs/dbraw/zinc/74/65/82/588746582.db2.gz WVIRDCVROLFBAF-VXGBXAGGSA-N 1 2 222.332 1.402 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@H](C(C)C)C1=O ZINC000853509493 588746583 /nfs/dbraw/zinc/74/65/83/588746583.db2.gz WVIRDCVROLFBAF-VXGBXAGGSA-N 1 2 222.332 1.402 20 30 BDEDLO C=CC[N@H+](CN1CCSC1=O)[C@@H](C)COC ZINC000853532286 588747741 /nfs/dbraw/zinc/74/77/41/588747741.db2.gz CORFWTBZXTWULY-JTQLQIEISA-N 1 2 244.360 1.636 20 30 BDEDLO C=CC[N@@H+](CN1CCSC1=O)[C@@H](C)COC ZINC000853532286 588747742 /nfs/dbraw/zinc/74/77/42/588747742.db2.gz CORFWTBZXTWULY-JTQLQIEISA-N 1 2 244.360 1.636 20 30 BDEDLO Cc1ccc(C#N)nc1NCc1c[nH+]cn1C ZINC000853635564 588751010 /nfs/dbraw/zinc/75/10/10/588751010.db2.gz DYOKDZLAYXQJQB-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1NC/C=C\CO ZINC000853794565 588763839 /nfs/dbraw/zinc/76/38/39/588763839.db2.gz BPCQQGAJYRMYQW-PLNGDYQASA-N 1 2 246.310 1.834 20 30 BDEDLO C#C[C@H](Nc1cc(C)[nH+]cn1)C1CCOCC1 ZINC000853919488 588769070 /nfs/dbraw/zinc/76/90/70/588769070.db2.gz FGQXFVLUYKOXGE-LBPRGKRZSA-N 1 2 231.299 1.625 20 30 BDEDLO C#CCCN(CCOC)c1cc(C)[nH+]cn1 ZINC000853982457 588770778 /nfs/dbraw/zinc/77/07/78/588770778.db2.gz CZSXJEHBZSYJFD-UHFFFAOYSA-N 1 2 219.288 1.261 20 30 BDEDLO C=C(C)CONC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000854220015 588779892 /nfs/dbraw/zinc/77/98/92/588779892.db2.gz XMWMDFBBGOWVTC-VIFPVBQESA-N 1 2 238.291 1.288 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000854697228 588802524 /nfs/dbraw/zinc/80/25/24/588802524.db2.gz XKBXVJLMXQYMFE-FZMZJTMJSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854705519 588804017 /nfs/dbraw/zinc/80/40/17/588804017.db2.gz KRTJEGDJJUJKDZ-HZMBPMFUSA-N 1 2 245.326 1.433 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854705519 588804018 /nfs/dbraw/zinc/80/40/18/588804018.db2.gz KRTJEGDJJUJKDZ-HZMBPMFUSA-N 1 2 245.326 1.433 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000890654693 582493821 /nfs/dbraw/zinc/49/38/21/582493821.db2.gz GKVUFYCJRRMCOF-OLZOCXBDSA-N 1 2 245.326 1.849 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)/C=C/c1cn(C)c[nH+]1 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583160055 /nfs/dbraw/zinc/16/00/55/583160055.db2.gz ITDMIEDOOUMBSF-QMMMGPOBSA-N 1 2 207.252 1.778 20 30 BDEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)nc1 ZINC000893544065 583160126 /nfs/dbraw/zinc/16/01/26/583160126.db2.gz JAWZZTGDTPSFIF-VIFPVBQESA-N 1 2 205.261 1.339 20 30 BDEDLO C#CCCCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000893633583 583178973 /nfs/dbraw/zinc/17/89/73/583178973.db2.gz MFMACVAATNKIAB-UHFFFAOYSA-N 1 2 234.303 1.023 20 30 BDEDLO C#CCC[C@H](O)CNc1cc(CC)[nH+]c(CC)n1 ZINC000893674129 583193118 /nfs/dbraw/zinc/19/31/18/583193118.db2.gz WRMMFJULPSYZEV-LBPRGKRZSA-N 1 2 247.342 1.788 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cn(C)nc1Cl ZINC000857039797 588883484 /nfs/dbraw/zinc/88/34/84/588883484.db2.gz IQOIQAFPGVMPSJ-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cn(C)nc1Cl ZINC000857039797 588883485 /nfs/dbraw/zinc/88/34/85/588883485.db2.gz IQOIQAFPGVMPSJ-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO CC[N@@H+](Cc1ocnc1C)C[C@H](C)C#N ZINC000893994813 583267483 /nfs/dbraw/zinc/26/74/83/583267483.db2.gz JPXLISJUJBJKRI-SECBINFHSA-N 1 2 207.277 1.965 20 30 BDEDLO CC[N@H+](Cc1ocnc1C)C[C@H](C)C#N ZINC000893994813 583267484 /nfs/dbraw/zinc/26/74/84/583267484.db2.gz JPXLISJUJBJKRI-SECBINFHSA-N 1 2 207.277 1.965 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894068700 583294411 /nfs/dbraw/zinc/29/44/11/583294411.db2.gz YAZLGDYPTXIQJE-ZJUUUORDSA-N 1 2 234.303 1.298 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894068700 583294412 /nfs/dbraw/zinc/29/44/12/583294412.db2.gz YAZLGDYPTXIQJE-ZJUUUORDSA-N 1 2 234.303 1.298 20 30 BDEDLO C#CCCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000857152170 588891051 /nfs/dbraw/zinc/89/10/51/588891051.db2.gz XRUUPPZESCMKMW-UHFFFAOYSA-N 1 2 233.315 1.607 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000894112153 583309059 /nfs/dbraw/zinc/30/90/59/583309059.db2.gz AKEYCXOZDMSKFE-SNVBAGLBSA-N 1 2 236.319 1.282 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000894112153 583309062 /nfs/dbraw/zinc/30/90/62/583309062.db2.gz AKEYCXOZDMSKFE-SNVBAGLBSA-N 1 2 236.319 1.282 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](OC)[C@H](C)CC)C(=O)OC ZINC000877582591 583337263 /nfs/dbraw/zinc/33/72/63/583337263.db2.gz BMDORPORORYKEK-GRYCIOLGSA-N 1 2 241.331 1.202 20 30 BDEDLO CO[C@H](C)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000726429858 583354448 /nfs/dbraw/zinc/35/44/48/583354448.db2.gz SOCOHSVOYHETOG-OREIZAMCSA-N 1 2 239.271 1.647 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878705415 583395228 /nfs/dbraw/zinc/39/52/28/583395228.db2.gz WXDPUHSPGSKBIJ-OLZOCXBDSA-N 1 2 235.327 1.422 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878705415 583395230 /nfs/dbraw/zinc/39/52/30/583395230.db2.gz WXDPUHSPGSKBIJ-OLZOCXBDSA-N 1 2 235.327 1.422 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878705448 583395336 /nfs/dbraw/zinc/39/53/36/583395336.db2.gz XODYMMBJVNNORV-YIYPIFLZSA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878705448 583395338 /nfs/dbraw/zinc/39/53/38/583395338.db2.gz XODYMMBJVNNORV-YIYPIFLZSA-N 1 2 235.327 1.278 20 30 BDEDLO C#CC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894350160 583432797 /nfs/dbraw/zinc/43/27/97/583432797.db2.gz RLCAUQCXEWESEO-GFCCVEGCSA-N 1 2 240.310 1.969 20 30 BDEDLO CC#CC[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894366812 583438578 /nfs/dbraw/zinc/43/85/78/583438578.db2.gz OVWVEWCLOUQIRE-WDEREUQCSA-N 1 2 234.299 1.321 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)CN1CCC1=O ZINC000857235207 588899278 /nfs/dbraw/zinc/89/92/78/588899278.db2.gz ZWQAEZBYXHPGOK-UHFFFAOYSA-N 1 2 234.299 1.500 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)CN1CCC1=O ZINC000857235207 588899279 /nfs/dbraw/zinc/89/92/79/588899279.db2.gz ZWQAEZBYXHPGOK-UHFFFAOYSA-N 1 2 234.299 1.500 20 30 BDEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000894467273 583468661 /nfs/dbraw/zinc/46/86/61/583468661.db2.gz IHODFKSAICBXFR-LLVKDONJSA-N 1 2 240.310 1.815 20 30 BDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1csc(C#N)c1 ZINC000894493098 583473384 /nfs/dbraw/zinc/47/33/84/583473384.db2.gz SLUAZKNPXZURLK-VIFPVBQESA-N 1 2 249.339 1.330 20 30 BDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1csc(C#N)c1 ZINC000894493098 583473386 /nfs/dbraw/zinc/47/33/86/583473386.db2.gz SLUAZKNPXZURLK-VIFPVBQESA-N 1 2 249.339 1.330 20 30 BDEDLO C=CCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894518859 583476585 /nfs/dbraw/zinc/47/65/85/583476585.db2.gz QTBSEZGJWQNORA-SNVBAGLBSA-N 1 2 236.319 1.647 20 30 BDEDLO C=CCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894518859 583476587 /nfs/dbraw/zinc/47/65/87/583476587.db2.gz QTBSEZGJWQNORA-SNVBAGLBSA-N 1 2 236.319 1.647 20 30 BDEDLO C=C1CN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC000894536612 583478192 /nfs/dbraw/zinc/47/81/92/583478192.db2.gz XRLSYOLPUVECSV-UHFFFAOYSA-N 1 2 203.289 1.978 20 30 BDEDLO N#Cc1cc(C[N@H+](C2CC2)C2COC2)cs1 ZINC000894659548 583504027 /nfs/dbraw/zinc/50/40/27/583504027.db2.gz VEHHPJSOBPAETB-UHFFFAOYSA-N 1 2 234.324 1.983 20 30 BDEDLO N#Cc1cc(C[N@@H+](C2CC2)C2COC2)cs1 ZINC000894659548 583504028 /nfs/dbraw/zinc/50/40/28/583504028.db2.gz VEHHPJSOBPAETB-UHFFFAOYSA-N 1 2 234.324 1.983 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)cs1 ZINC000894737663 583514535 /nfs/dbraw/zinc/51/45/35/583514535.db2.gz CBUQSHWJZQIKHR-SNVBAGLBSA-N 1 2 235.312 1.069 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cs1 ZINC000894737663 583514536 /nfs/dbraw/zinc/51/45/36/583514536.db2.gz CBUQSHWJZQIKHR-SNVBAGLBSA-N 1 2 235.312 1.069 20 30 BDEDLO C=CC(C)(C)NC(=O)NCc1[nH+]ccn1CC ZINC000895135981 583601848 /nfs/dbraw/zinc/60/18/48/583601848.db2.gz CXTNFKXZUWAIRE-UHFFFAOYSA-N 1 2 236.319 1.667 20 30 BDEDLO C#CC[C@@H]1CCN(c2cccc([C@@H](C)O)[nH+]2)C1 ZINC000895192060 583621797 /nfs/dbraw/zinc/62/17/97/583621797.db2.gz WYINVWSQJGSVDH-VXGBXAGGSA-N 1 2 230.311 1.985 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651928 583703353 /nfs/dbraw/zinc/70/33/53/583703353.db2.gz DLDQKTQLFXGSTQ-ZYHUDNBSSA-N 1 2 249.701 1.173 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651928 583703355 /nfs/dbraw/zinc/70/33/55/583703355.db2.gz DLDQKTQLFXGSTQ-ZYHUDNBSSA-N 1 2 249.701 1.173 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C1CC(SC)C1)C(=O)OC ZINC000895754448 583720757 /nfs/dbraw/zinc/72/07/57/583720757.db2.gz OTQUIROIZLMNHY-ILDUYXDCSA-N 1 2 243.372 1.978 20 30 BDEDLO C=CCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857948522 588925089 /nfs/dbraw/zinc/92/50/89/588925089.db2.gz LRSSTSASQFAZJU-NSHDSACASA-N 1 2 233.315 1.670 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C)nc1CC)C1CSC1 ZINC000895814308 583733654 /nfs/dbraw/zinc/73/36/54/583733654.db2.gz PVYDITHBNJXMSC-UHFFFAOYSA-N 1 2 249.383 1.533 20 30 BDEDLO C#CC[N@H+](Cc1cn(C)nc1CC)C1CSC1 ZINC000895814308 583733655 /nfs/dbraw/zinc/73/36/55/583733655.db2.gz PVYDITHBNJXMSC-UHFFFAOYSA-N 1 2 249.383 1.533 20 30 BDEDLO C=CCCOCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984185 588925646 /nfs/dbraw/zinc/92/56/46/588925646.db2.gz HHQVRKNYIFQXDH-SNVBAGLBSA-N 1 2 235.287 1.037 20 30 BDEDLO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000896034678 583764487 /nfs/dbraw/zinc/76/44/87/583764487.db2.gz DPIMXIURQRKDKJ-WDEREUQCSA-N 1 2 243.347 1.633 20 30 BDEDLO C=CCOCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982194 588928124 /nfs/dbraw/zinc/92/81/24/588928124.db2.gz GKHLMLGSXPIJGI-NSHDSACASA-N 1 2 249.314 1.427 20 30 BDEDLO C=C1CCC(C(=O)Nc2cc[nH+]cc2O)CC1 ZINC000896262971 583787723 /nfs/dbraw/zinc/78/77/23/583787723.db2.gz XGFRRMBYDQSXTF-UHFFFAOYSA-N 1 2 232.283 1.894 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986505 588929463 /nfs/dbraw/zinc/92/94/63/588929463.db2.gz VZGGLZBAZUHURD-GHMZBOCLSA-N 1 2 249.314 1.425 20 30 BDEDLO C=C1CCC(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000896286472 583789373 /nfs/dbraw/zinc/78/93/73/583789373.db2.gz NHJGLMMKBBDTAX-UHFFFAOYSA-N 1 2 233.315 1.815 20 30 BDEDLO C#CC1(O)CN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000897343574 583926649 /nfs/dbraw/zinc/92/66/49/583926649.db2.gz VKGSPUNXHUVTTA-UHFFFAOYSA-N 1 2 243.310 1.237 20 30 BDEDLO C=CC[N@@H+](Cc1nc(CCOC)no1)C(C)C ZINC000728914794 583936265 /nfs/dbraw/zinc/93/62/65/583936265.db2.gz SEDFJPITDFUAPX-UHFFFAOYSA-N 1 2 239.319 1.655 20 30 BDEDLO C=CC[N@H+](Cc1nc(CCOC)no1)C(C)C ZINC000728914794 583936266 /nfs/dbraw/zinc/93/62/66/583936266.db2.gz SEDFJPITDFUAPX-UHFFFAOYSA-N 1 2 239.319 1.655 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)CC=C)nn1 ZINC000653623413 583974553 /nfs/dbraw/zinc/97/45/53/583974553.db2.gz FCXPHIYHZIOIOE-UHFFFAOYSA-N 1 2 206.293 1.472 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)CC=C)nn1 ZINC000653623413 583974554 /nfs/dbraw/zinc/97/45/54/583974554.db2.gz FCXPHIYHZIOIOE-UHFFFAOYSA-N 1 2 206.293 1.472 20 30 BDEDLO CCn1c[nH+]cc1CN1CCO[C@](C)(C#N)C1 ZINC000897586527 584022459 /nfs/dbraw/zinc/02/24/59/584022459.db2.gz PMAWOYINCCXYOQ-GFCCVEGCSA-N 1 2 234.303 1.017 20 30 BDEDLO C#CC1(O)C[NH+](CCC(C)(C)SC)C1 ZINC000898144846 584086494 /nfs/dbraw/zinc/08/64/94/584086494.db2.gz ORYDXQSFXOIGLY-UHFFFAOYSA-N 1 2 213.346 1.198 20 30 BDEDLO C=CCCN(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898620896 584147869 /nfs/dbraw/zinc/14/78/69/584147869.db2.gz VUPQLWOWMJHZFR-UHFFFAOYSA-N 1 2 222.292 1.138 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2cn(C)nc2C)c1 ZINC000899349152 584202295 /nfs/dbraw/zinc/20/22/95/584202295.db2.gz WLBUWTNGTXKZIA-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO CCn1c[nH+]c(/C=C2\CCn3ccnc3C2=O)c1 ZINC000899385699 584208648 /nfs/dbraw/zinc/20/86/48/584208648.db2.gz VOGFRGFAIKGZFC-JXMROGBWSA-N 1 2 242.282 1.770 20 30 BDEDLO CCn1c[nH+]c(/C=C2\C(=O)c3ncnn3[C@@H]2C)c1 ZINC000899380806 584209361 /nfs/dbraw/zinc/20/93/61/584209361.db2.gz KZBMTQPRARKHFQ-YXSUAUNDSA-N 1 2 243.270 1.335 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000899899902 584248278 /nfs/dbraw/zinc/24/82/78/584248278.db2.gz DGFMXVFASWBMOB-LBPRGKRZSA-N 1 2 225.332 1.162 20 30 BDEDLO C=C(Cl)CNC(=O)c1ccc(C)[nH+]c1NC ZINC000900759991 584346754 /nfs/dbraw/zinc/34/67/54/584346754.db2.gz QILOFTSQQPGSQC-UHFFFAOYSA-N 1 2 239.706 1.914 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc[nH+]c(C)n1 ZINC000858857891 588979137 /nfs/dbraw/zinc/97/91/37/588979137.db2.gz SPQHBEKZMLWJAD-LLVKDONJSA-N 1 2 219.288 1.625 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2nc(C)cc(C)n2)c1 ZINC000901119602 584386569 /nfs/dbraw/zinc/38/65/69/584386569.db2.gz NQCREJUUAXVBDW-UHFFFAOYSA-N 1 2 244.302 1.756 20 30 BDEDLO C#CCNN=Cc1cc(C)[nH+]c2c1CCCC2 ZINC000901250503 584409570 /nfs/dbraw/zinc/40/95/70/584409570.db2.gz UDCMDEBMRGLXEO-UHFFFAOYSA-N 1 2 227.311 1.826 20 30 BDEDLO CCN[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000901283178 584416239 /nfs/dbraw/zinc/41/62/39/584416239.db2.gz ZFUBOUWCJHSDNE-UHFFFAOYSA-N 1 2 213.231 1.881 20 30 BDEDLO c1cnn([NH+]=C2CCOC23CCCC3)c1 ZINC000901268135 584418538 /nfs/dbraw/zinc/41/85/38/584418538.db2.gz WEPLUUNXAPKNAO-UHFFFAOYSA-N 1 2 205.261 1.820 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@H]1CCCOC1 ZINC000901331725 584425334 /nfs/dbraw/zinc/42/53/34/584425334.db2.gz VBACCRXIMRHUJO-SNVBAGLBSA-N 1 2 234.303 1.417 20 30 BDEDLO Cn1ccnc1C(=O)/C=C/c1cn(C2CC2)c[nH+]1 ZINC000901474608 584448285 /nfs/dbraw/zinc/44/82/85/584448285.db2.gz RRFZEIRUDSSJLK-GORDUTHDSA-N 1 2 242.282 1.848 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cnn(C)c1 ZINC000901466411 584451419 /nfs/dbraw/zinc/45/14/19/584451419.db2.gz ZLSGGNWQYRRKLE-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cnnn1C ZINC000901510471 584457271 /nfs/dbraw/zinc/45/72/71/584457271.db2.gz DTZASLQGVGIUFX-PLNGDYQASA-N 1 2 245.286 1.489 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C1\Cn2ccnc2C1=O ZINC000901512069 584461227 /nfs/dbraw/zinc/46/12/27/584461227.db2.gz AKZASYQYSJWMKS-BJMVGYQFSA-N 1 2 242.282 1.940 20 30 BDEDLO CC(C)c1c[nH]c(C=CC(=O)c2cn(C)nn2)[nH+]1 ZINC000901516683 584461463 /nfs/dbraw/zinc/46/14/63/584461463.db2.gz FHRVEMJYQTZOSN-PLNGDYQASA-N 1 2 245.286 1.558 20 30 BDEDLO CCn1ccnc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000901557356 584462908 /nfs/dbraw/zinc/46/29/08/584462908.db2.gz QAZXBCLZVHSUCM-PLNGDYQASA-N 1 2 230.271 1.533 20 30 BDEDLO CCn1c[nH+]cc1/C=C1/CCn2nccc2C1=O ZINC000901544439 584463907 /nfs/dbraw/zinc/46/39/07/584463907.db2.gz VOVQKAWAZFLSHA-YFHOEESVSA-N 1 2 242.282 1.770 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cnn(CCF)c1 ZINC000901654587 584476001 /nfs/dbraw/zinc/47/60/01/584476001.db2.gz CXAZLWAOOAMBMH-NSHDSACASA-N 1 2 249.293 1.386 20 30 BDEDLO CC[N@H+](CCC#N)Cn1cc(OC)c(=O)cc1C ZINC000902068974 584519177 /nfs/dbraw/zinc/51/91/77/584519177.db2.gz XAOLIGBQZNRMTD-UHFFFAOYSA-N 1 2 249.314 1.358 20 30 BDEDLO CC[N@@H+](CCC#N)Cn1cc(OC)c(=O)cc1C ZINC000902068974 584519178 /nfs/dbraw/zinc/51/91/78/584519178.db2.gz XAOLIGBQZNRMTD-UHFFFAOYSA-N 1 2 249.314 1.358 20 30 BDEDLO CCn1cc(CNc2cc(CC#N)cc[nH+]2)nn1 ZINC000902067566 584523142 /nfs/dbraw/zinc/52/31/42/584523142.db2.gz PCCXPLBKNBDNNI-UHFFFAOYSA-N 1 2 242.286 1.371 20 30 BDEDLO C#CCCOC(=O)N(C)CCCn1cc[nH+]c1 ZINC000859071442 588997253 /nfs/dbraw/zinc/99/72/53/588997253.db2.gz ZJEQWTKRWLGLFK-UHFFFAOYSA-N 1 2 235.287 1.365 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccon1)c1cc(C#N)ccn1 ZINC000902831393 584678686 /nfs/dbraw/zinc/67/86/86/584678686.db2.gz KQBDONJEBXURSW-SECBINFHSA-N 1 2 228.255 1.792 20 30 BDEDLO N#CC1(C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000903105987 584728235 /nfs/dbraw/zinc/72/82/35/584728235.db2.gz KJNZVQSDWHBEQD-SNVBAGLBSA-N 1 2 216.288 1.611 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc2n(n1)CCC2 ZINC000903106252 584728445 /nfs/dbraw/zinc/72/84/45/584728445.db2.gz NOHJYTJEVIZHMW-SNVBAGLBSA-N 1 2 230.315 1.784 20 30 BDEDLO C#CCCOC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000859180491 589015174 /nfs/dbraw/zinc/01/51/74/589015174.db2.gz HPODZQRHPXCDKZ-NXEZZACHSA-N 1 2 233.271 1.638 20 30 BDEDLO C=C1CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000731032375 584921491 /nfs/dbraw/zinc/92/14/91/584921491.db2.gz ILVGKHZSRFKZRU-UHFFFAOYSA-N 1 2 246.310 1.983 20 30 BDEDLO c1c[nH+]c(CN=Nc2ncnc3sccc32)[nH]1 ZINC000731151084 584922503 /nfs/dbraw/zinc/92/25/03/584922503.db2.gz LSVLXBDIGBBKDG-UHFFFAOYSA-N 1 2 244.283 1.860 20 30 BDEDLO O=C1c2ccc(O)cc2O/C1=C/c1[nH]cc[nH+]1 ZINC000731156245 584922806 /nfs/dbraw/zinc/92/28/06/584922806.db2.gz BXZQABBYOHBAEH-UXBLZVDNSA-N 1 2 228.207 1.732 20 30 BDEDLO Cc1nn(C)cc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731159167 584923060 /nfs/dbraw/zinc/92/30/60/584923060.db2.gz PAXINSPARBYSEP-ONEGZZNKSA-N 1 2 216.244 1.348 20 30 BDEDLO C[C@H](C#N)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000731908784 584931147 /nfs/dbraw/zinc/93/11/47/584931147.db2.gz VUVNEIWVYPJIMQ-MRVPVSSYSA-N 1 2 215.212 1.403 20 30 BDEDLO C#CC[NH+](CC#C)Cc1[nH]nc2ccccc21 ZINC000769443327 584965284 /nfs/dbraw/zinc/96/52/84/584965284.db2.gz WQVMKBNVEGOWAG-UHFFFAOYSA-N 1 2 223.279 1.631 20 30 BDEDLO CC(=[NH+]NC[C@H](C)O)c1cc(F)c(N)c(F)c1 ZINC000814961987 584970995 /nfs/dbraw/zinc/97/09/95/584970995.db2.gz XVEPDJKSTCVSRE-LURJTMIESA-N 1 2 243.257 1.241 20 30 BDEDLO C(=NNc1cc[nH+]c2ccccc12)c1c[nH]cn1 ZINC000755698320 584975293 /nfs/dbraw/zinc/97/52/93/584975293.db2.gz DFJZPPDMHPPKBC-UHFFFAOYSA-N 1 2 237.266 1.826 20 30 BDEDLO COC1C[NH+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839127275 585093389 /nfs/dbraw/zinc/09/33/89/585093389.db2.gz BMMMHDNYMBJTNQ-LLVKDONJSA-N 1 2 246.310 1.808 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)C1CCCC1)C(=O)OC ZINC000839167369 585095214 /nfs/dbraw/zinc/09/52/14/585095214.db2.gz FNNMSCOLIRYIRZ-PWSUYJOCSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)C(=O)OC ZINC000839167183 585095272 /nfs/dbraw/zinc/09/52/72/585095272.db2.gz COJWQRPIZDSRLZ-SRVKXCTJSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000839166518 585095379 /nfs/dbraw/zinc/09/53/79/585095379.db2.gz NJIXKWYBXRFXOZ-LLVKDONJSA-N 1 2 233.267 1.047 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CCCC)C(=O)OC ZINC000839167465 585095557 /nfs/dbraw/zinc/09/55/57/585095557.db2.gz DVZGAPYTOVMASU-GHMZBOCLSA-N 1 2 211.305 1.720 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1cccc(C)c1O)C(=O)OC ZINC000839168684 585095820 /nfs/dbraw/zinc/09/58/20/585095820.db2.gz MQFHGHSOOQXOFV-LBPRGKRZSA-N 1 2 247.294 1.355 20 30 BDEDLO C#CC[C@@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000839169529 585096145 /nfs/dbraw/zinc/09/61/45/585096145.db2.gz TVOMVKHUDNWYEB-SECBINFHSA-N 1 2 227.329 1.037 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(C)c1O ZINC000839189836 585097125 /nfs/dbraw/zinc/09/71/25/585097125.db2.gz YCKWYTGJZULCKU-CYBMUJFWSA-N 1 2 231.295 1.535 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000839189836 585097126 /nfs/dbraw/zinc/09/71/26/585097126.db2.gz YCKWYTGJZULCKU-CYBMUJFWSA-N 1 2 231.295 1.535 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000744419176 585150100 /nfs/dbraw/zinc/15/01/00/585150100.db2.gz OTIZWSRUHNDVMF-UHFFFAOYSA-N 1 2 246.354 1.654 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)C#Cc1ccccc1 ZINC000747220780 585176917 /nfs/dbraw/zinc/17/69/17/585176917.db2.gz ONTFTLBNGFIIMG-UHFFFAOYSA-N 1 2 239.278 1.088 20 30 BDEDLO C[C@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@@H+]1C ZINC000749540177 585203872 /nfs/dbraw/zinc/20/38/72/585203872.db2.gz LRJLBVLQTISZRF-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@H+]1C ZINC000749540177 585203873 /nfs/dbraw/zinc/20/38/73/585203873.db2.gz LRJLBVLQTISZRF-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C#CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000753910617 585271992 /nfs/dbraw/zinc/27/19/92/585271992.db2.gz OYCPKYIYRCABDJ-UHFFFAOYSA-N 1 2 239.278 1.181 20 30 BDEDLO COC[C@H](C)CN=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753927805 585272101 /nfs/dbraw/zinc/27/21/01/585272101.db2.gz GBZXMGNIEOZCRF-GMTAPVOTSA-N 1 2 238.335 1.115 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)c1ccc(C#N)s1 ZINC000754685766 585289469 /nfs/dbraw/zinc/28/94/69/585289469.db2.gz QQBLFXNAMXQMDC-UHFFFAOYSA-N 1 2 247.279 1.710 20 30 BDEDLO CON=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755634602 585302986 /nfs/dbraw/zinc/30/29/86/585302986.db2.gz MXTTVPGKTASWOX-UHFFFAOYSA-N 1 2 241.254 1.500 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1cc(C)ncn1 ZINC000755727573 585304985 /nfs/dbraw/zinc/30/49/85/585304985.db2.gz LORSCELVXIWYTO-UHFFFAOYSA-N 1 2 216.248 1.263 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000839613668 585332341 /nfs/dbraw/zinc/33/23/41/585332341.db2.gz WPYCPKRCWNOLQQ-MRVPVSSYSA-N 1 2 211.639 1.441 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000839613668 585332342 /nfs/dbraw/zinc/33/23/42/585332342.db2.gz WPYCPKRCWNOLQQ-MRVPVSSYSA-N 1 2 211.639 1.441 20 30 BDEDLO COC(=O)c1ccc(N=NCc2c[nH+]c[nH]2)nc1 ZINC000758140618 585350510 /nfs/dbraw/zinc/35/05/10/585350510.db2.gz IQLFWJPXXVWGLK-UHFFFAOYSA-N 1 2 245.242 1.037 20 30 BDEDLO COC(=O)c1ccc(N=NCc2c[nH]c[nH+]2)nc1 ZINC000758140618 585350511 /nfs/dbraw/zinc/35/05/11/585350511.db2.gz IQLFWJPXXVWGLK-UHFFFAOYSA-N 1 2 245.242 1.037 20 30 BDEDLO C=CC[N@H+](Cn1ccc(C)c(C#N)c1=O)C(C)C ZINC000758188504 585351385 /nfs/dbraw/zinc/35/13/85/585351385.db2.gz GBLAUGXWOOWJBB-UHFFFAOYSA-N 1 2 245.326 1.882 20 30 BDEDLO C=CC[N@@H+](Cn1ccc(C)c(C#N)c1=O)C(C)C ZINC000758188504 585351386 /nfs/dbraw/zinc/35/13/86/585351386.db2.gz GBLAUGXWOOWJBB-UHFFFAOYSA-N 1 2 245.326 1.882 20 30 BDEDLO C#CCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000760362773 585391569 /nfs/dbraw/zinc/39/15/69/585391569.db2.gz SHGRJPYJBDAZFM-SNVBAGLBSA-N 1 2 212.293 1.569 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000760844991 585399737 /nfs/dbraw/zinc/39/97/37/585399737.db2.gz WVEVLNYXMHFFTK-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000760844991 585399738 /nfs/dbraw/zinc/39/97/38/585399738.db2.gz WVEVLNYXMHFFTK-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000760848398 585399791 /nfs/dbraw/zinc/39/97/91/585399791.db2.gz YBCBVPKOGCDEGW-QWHCGFSZSA-N 1 2 249.310 1.427 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000760848398 585399792 /nfs/dbraw/zinc/39/97/92/585399792.db2.gz YBCBVPKOGCDEGW-QWHCGFSZSA-N 1 2 249.310 1.427 20 30 BDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090326 585407961 /nfs/dbraw/zinc/40/79/61/585407961.db2.gz JXZOZOWNIQNLNJ-SCZZXKLOSA-N 1 2 247.323 1.652 20 30 BDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090326 585407962 /nfs/dbraw/zinc/40/79/62/585407962.db2.gz JXZOZOWNIQNLNJ-SCZZXKLOSA-N 1 2 247.323 1.652 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739390 585453717 /nfs/dbraw/zinc/45/37/17/585453717.db2.gz VNJWVEGHTKOUJE-JQWIXIFHSA-N 1 2 248.326 1.706 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739390 585453718 /nfs/dbraw/zinc/45/37/18/585453718.db2.gz VNJWVEGHTKOUJE-JQWIXIFHSA-N 1 2 248.326 1.706 20 30 BDEDLO C#CCOCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000764888343 585477102 /nfs/dbraw/zinc/47/71/02/585477102.db2.gz SVDGFQUHZITKFS-UHFFFAOYSA-N 1 2 246.314 1.139 20 30 BDEDLO C#CCOCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000764888343 585477103 /nfs/dbraw/zinc/47/71/03/585477103.db2.gz SVDGFQUHZITKFS-UHFFFAOYSA-N 1 2 246.314 1.139 20 30 BDEDLO CC#CCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000765474414 585487424 /nfs/dbraw/zinc/48/74/24/585487424.db2.gz UPRLBDBMBLRZLX-UHFFFAOYSA-N 1 2 228.251 1.905 20 30 BDEDLO Cc1cc(=O)[nH]c(N=NC2CC[N@H+]3CCC[C@@H]23)n1 ZINC000765544689 585489319 /nfs/dbraw/zinc/48/93/19/585489319.db2.gz VBPAGGKCAZKEPY-JTQLQIEISA-N 1 2 247.302 1.127 20 30 BDEDLO C#CC[NH+]1CCN(c2nc(C)cc(CC)n2)CC1 ZINC000766051011 585497065 /nfs/dbraw/zinc/49/70/65/585497065.db2.gz PLXFDNSLGZSGHL-UHFFFAOYSA-N 1 2 244.342 1.103 20 30 BDEDLO C#CCCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000766887955 585509001 /nfs/dbraw/zinc/50/90/01/585509001.db2.gz QKHWUVFLWIALPQ-UHFFFAOYSA-N 1 2 228.251 1.905 20 30 BDEDLO CCC#C[C@H](C)[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000767120514 585514600 /nfs/dbraw/zinc/51/46/00/585514600.db2.gz TWWSRPUEQWEGKX-NSHDSACASA-N 1 2 245.388 1.543 20 30 BDEDLO CCC#C[C@H](C)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000767120514 585514601 /nfs/dbraw/zinc/51/46/01/585514601.db2.gz TWWSRPUEQWEGKX-NSHDSACASA-N 1 2 245.388 1.543 20 30 BDEDLO C[C@@H](C#N)COC(=O)Cc1cn2ccccc2[nH+]1 ZINC000770927406 585584443 /nfs/dbraw/zinc/58/44/43/585584443.db2.gz HBMMTXOVZVNZMO-JTQLQIEISA-N 1 2 243.266 1.580 20 30 BDEDLO c1cn2c(cccc2CN=Nc2cnccn2)[nH+]1 ZINC000771097815 585590425 /nfs/dbraw/zinc/59/04/25/585590425.db2.gz PMYCQBNDPLOOJY-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO C=CCOCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772089031 585608278 /nfs/dbraw/zinc/60/82/78/585608278.db2.gz FDZONOTUSKCFMK-UHFFFAOYSA-N 1 2 235.283 1.944 20 30 BDEDLO C=CCCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805476488 585629934 /nfs/dbraw/zinc/62/99/34/585629934.db2.gz QNFWWZAFRAXONW-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C=CCCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805476488 585629935 /nfs/dbraw/zinc/62/99/35/585629935.db2.gz QNFWWZAFRAXONW-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000773586801 585640834 /nfs/dbraw/zinc/64/08/34/585640834.db2.gz FGAFGUQFOAEXHC-JTQLQIEISA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccn1CC)[C@@H]1CCCO1 ZINC000775343880 585676325 /nfs/dbraw/zinc/67/63/25/585676325.db2.gz ZBAHYPCFPNDXAH-RYUDHWBXSA-N 1 2 233.315 1.173 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000775404941 585677460 /nfs/dbraw/zinc/67/74/60/585677460.db2.gz RJDMVLYZQQRKJR-CYBMUJFWSA-N 1 2 240.310 1.669 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccn(C(C)C)n1)[C@H]1CCCO1 ZINC000775787906 585684698 /nfs/dbraw/zinc/68/46/98/585684698.db2.gz BOFJHEYKUGMWIC-ZIAGYGMSSA-N 1 2 247.342 1.734 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(C)cn1)[C@@H]1CCCO1 ZINC000775797649 585685278 /nfs/dbraw/zinc/68/52/78/585685278.db2.gz DHHXKDGFLWMFRA-NEPJUHHUSA-N 1 2 231.299 1.055 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccn1C(C)C)[C@H]1CCCO1 ZINC000775800499 585685729 /nfs/dbraw/zinc/68/57/29/585685729.db2.gz SRPLJADHROYLAH-QWHCGFSZSA-N 1 2 247.342 1.734 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCC(C)(C)C)C1CC1 ZINC000859251648 589024309 /nfs/dbraw/zinc/02/43/09/589024309.db2.gz AAMKCUFRSDFTQR-UHFFFAOYSA-N 1 2 222.332 1.246 20 30 BDEDLO C#CC[N@H+](CC(=O)NCC(C)(C)C)C1CC1 ZINC000859251648 589024312 /nfs/dbraw/zinc/02/43/12/589024312.db2.gz AAMKCUFRSDFTQR-UHFFFAOYSA-N 1 2 222.332 1.246 20 30 BDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000777959630 585724433 /nfs/dbraw/zinc/72/44/33/585724433.db2.gz VKMLIRTZEQJQQE-CYBMUJFWSA-N 1 2 238.331 1.627 20 30 BDEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000777959630 585724434 /nfs/dbraw/zinc/72/44/34/585724434.db2.gz VKMLIRTZEQJQQE-CYBMUJFWSA-N 1 2 238.331 1.627 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778227622 585728353 /nfs/dbraw/zinc/72/83/53/585728353.db2.gz ZHZTVAAKOBFVIK-NSHDSACASA-N 1 2 219.288 1.196 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778227622 585728354 /nfs/dbraw/zinc/72/83/54/585728354.db2.gz ZHZTVAAKOBFVIK-NSHDSACASA-N 1 2 219.288 1.196 20 30 BDEDLO COCC#CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000778227622 585728355 /nfs/dbraw/zinc/72/83/55/585728355.db2.gz ZHZTVAAKOBFVIK-NSHDSACASA-N 1 2 219.288 1.196 20 30 BDEDLO COc1cccc(N=NCc2c[nH+]c[nH]2)n1 ZINC000779819589 585767115 /nfs/dbraw/zinc/76/71/15/585767115.db2.gz TULXCZMHQYEYIE-UHFFFAOYSA-N 1 2 217.232 1.259 20 30 BDEDLO COc1cccc(N=NCc2c[nH]c[nH+]2)n1 ZINC000779819589 585767116 /nfs/dbraw/zinc/76/71/16/585767116.db2.gz TULXCZMHQYEYIE-UHFFFAOYSA-N 1 2 217.232 1.259 20 30 BDEDLO COc1cccc(N=NCc2[nH+]ccn2C)n1 ZINC000779818577 585767171 /nfs/dbraw/zinc/76/71/71/585767171.db2.gz SEXURHXRUUAPPY-UHFFFAOYSA-N 1 2 231.259 1.270 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@H]1CCOC(C)(C)C1 ZINC000780247879 585774984 /nfs/dbraw/zinc/77/49/84/585774984.db2.gz VGUYZGHFFCUQPB-JTQLQIEISA-N 1 2 236.319 1.599 20 30 BDEDLO C(=NN[C@@H]1CCCOC1)c1cccc2[nH+]ccn21 ZINC000780261373 585775779 /nfs/dbraw/zinc/77/57/79/585775779.db2.gz ILTNGHPIXLPABL-LLVKDONJSA-N 1 2 244.298 1.437 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2cnc(N)nc2)nc1 ZINC000781591611 585799785 /nfs/dbraw/zinc/79/97/85/585799785.db2.gz MCBUPHRDPFTFGF-UHFFFAOYSA-N 1 2 228.259 1.208 20 30 BDEDLO CC(N=Nc1ncccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000790166485 585958992 /nfs/dbraw/zinc/95/89/92/585958992.db2.gz IGMGJJJBUPXUCD-UHFFFAOYSA-N 1 2 246.230 1.549 20 30 BDEDLO COc1nccnc1N=NC(C)c1[nH]cc[nH+]1 ZINC000790175610 585959414 /nfs/dbraw/zinc/95/94/14/585959414.db2.gz GOKJOCBGOPJICW-UHFFFAOYSA-N 1 2 232.247 1.044 20 30 BDEDLO Cc1cccnc1N[NH+]=Cc1cccnc1N ZINC000790187714 585960410 /nfs/dbraw/zinc/96/04/10/585960410.db2.gz ZJKWXZPURVZBDM-UHFFFAOYSA-N 1 2 227.271 1.813 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccc2c1OCO2 ZINC000790299966 585962604 /nfs/dbraw/zinc/96/26/04/585962604.db2.gz MZSLNVPBAMFFOH-UHFFFAOYSA-N 1 2 244.254 1.595 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cncc(C)c1 ZINC000790300096 585962820 /nfs/dbraw/zinc/96/28/20/585962820.db2.gz QLAUSXGOLKHFPQ-UHFFFAOYSA-N 1 2 229.287 1.960 20 30 BDEDLO Cn1cc[nH+]c1NN=C1CCc2cc(O)ccc21 ZINC000790303624 585963037 /nfs/dbraw/zinc/96/30/37/585963037.db2.gz VVOYUDLPUOVYIZ-UHFFFAOYSA-N 1 2 242.282 1.888 20 30 BDEDLO CCn1cc(C=NNc2[nH+]ccn2C)cn1 ZINC000790302389 585963132 /nfs/dbraw/zinc/96/31/32/585963132.db2.gz RWAVVEBTLMCTDH-UHFFFAOYSA-N 1 2 218.264 1.083 20 30 BDEDLO C#C[C@H](CCC)NC(=O)c1cccc2[nH+]ccn21 ZINC000791751624 585987344 /nfs/dbraw/zinc/98/73/44/585987344.db2.gz VVRNYDIEYUHRQE-LLVKDONJSA-N 1 2 241.294 1.866 20 30 BDEDLO N#Cc1c[nH]c(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791977940 585992654 /nfs/dbraw/zinc/99/26/54/585992654.db2.gz MSFIKHGMLOBAKH-UHFFFAOYSA-N 1 2 242.238 1.221 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792218347 585997900 /nfs/dbraw/zinc/99/79/00/585997900.db2.gz OEKFGXKEFANHCF-MNOVXSKESA-N 1 2 236.315 1.564 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792218347 585997901 /nfs/dbraw/zinc/99/79/01/585997901.db2.gz OEKFGXKEFANHCF-MNOVXSKESA-N 1 2 236.315 1.564 20 30 BDEDLO CC[C@H](C)CO[NH+]=Cc1c(N)ncnc1OC ZINC000793158690 586012036 /nfs/dbraw/zinc/01/20/36/586012036.db2.gz JRNYFDHBEPXRQN-QMMMGPOBSA-N 1 2 238.291 1.464 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1ncncc1F ZINC000793224951 586014565 /nfs/dbraw/zinc/01/45/65/586014565.db2.gz DJZDKKKVAVBWLP-UHFFFAOYSA-N 1 2 220.211 1.093 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2nccnc2Cl)c1 ZINC000794512127 586040023 /nfs/dbraw/zinc/04/00/23/586040023.db2.gz NWHPLYOMKHFFSL-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ncncc2Cl)c1 ZINC000794537686 586042807 /nfs/dbraw/zinc/04/28/07/586042807.db2.gz YPXMUSZIOOIQOT-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)C1CC1 ZINC000794744932 586047960 /nfs/dbraw/zinc/04/79/60/586047960.db2.gz KCBAGCMUNBCOTI-UHFFFAOYSA-N 1 2 206.289 1.757 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)C1CC1 ZINC000794744932 586047959 /nfs/dbraw/zinc/04/79/59/586047959.db2.gz KCBAGCMUNBCOTI-UHFFFAOYSA-N 1 2 206.289 1.757 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1cncnc1 ZINC000794977867 586060646 /nfs/dbraw/zinc/06/06/46/586060646.db2.gz AUNGYQANOKMROS-UHFFFAOYSA-N 1 2 216.248 1.139 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1cccc(F)n1 ZINC000795008113 586064897 /nfs/dbraw/zinc/06/48/97/586064897.db2.gz WFXHPMLQQIAEJX-UHFFFAOYSA-N 1 2 233.250 1.883 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000796585170 586108023 /nfs/dbraw/zinc/10/80/23/586108023.db2.gz GTTSOSSJQRQORL-ZJUUUORDSA-N 1 2 248.273 1.271 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000796585170 586108024 /nfs/dbraw/zinc/10/80/24/586108024.db2.gz GTTSOSSJQRQORL-ZJUUUORDSA-N 1 2 248.273 1.271 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(F)cn1 ZINC000799303133 586168619 /nfs/dbraw/zinc/16/86/19/586168619.db2.gz CIJBMAONUZMLGT-LBPRGKRZSA-N 1 2 237.278 1.490 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cn1 ZINC000799303133 586168621 /nfs/dbraw/zinc/16/86/21/586168621.db2.gz CIJBMAONUZMLGT-LBPRGKRZSA-N 1 2 237.278 1.490 20 30 BDEDLO CC[C@H](C)[NH2+]NC1=CC(=O)N2CCC[C@@H]12 ZINC000799484750 586176511 /nfs/dbraw/zinc/17/65/11/586176511.db2.gz COKGPWMVZNFYLT-WPRPVWTQSA-N 1 2 209.293 1.125 20 30 BDEDLO O=C1C=C(N[NH2+]C2CCCC2)[C@H]2CCCCN12 ZINC000799478731 586178320 /nfs/dbraw/zinc/17/83/20/586178320.db2.gz NVJKNIJFCMMVAY-GFCCVEGCSA-N 1 2 235.331 1.659 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccncc2)c1 ZINC000800792471 586228491 /nfs/dbraw/zinc/22/84/91/586228491.db2.gz TXIOBWQXHQASQN-NSCUHMNNSA-N 1 2 213.240 1.711 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+]CCO[C@H](C)C#N)C(=O)OC ZINC000801941235 586280530 /nfs/dbraw/zinc/28/05/30/586280530.db2.gz LBEGCEMIFPOJAE-AXFHLTTASA-N 1 2 242.319 1.092 20 30 BDEDLO C[C@H](C#N)OCCO[NH+]=C(N)c1ccccc1 ZINC000802725233 586311096 /nfs/dbraw/zinc/31/10/96/586311096.db2.gz OBDNNKLXKJSCGK-SNVBAGLBSA-N 1 2 233.271 1.462 20 30 BDEDLO N#CC1CC[NH+](CN2C[C@@H]3CCC[C@@H]3C2=O)CC1 ZINC000839979002 586315148 /nfs/dbraw/zinc/31/51/48/586315148.db2.gz JOYIJAXUDYBHKF-STQMWFEESA-N 1 2 247.342 1.438 20 30 BDEDLO C=CCCC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495044 586361856 /nfs/dbraw/zinc/36/18/56/586361856.db2.gz LHQBGRCONPNYOU-GFCCVEGCSA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000806251904 586408097 /nfs/dbraw/zinc/40/80/97/586408097.db2.gz MMNQEDSKHCDHAI-VIFPVBQESA-N 1 2 242.282 1.786 20 30 BDEDLO C#C[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000806380849 586410941 /nfs/dbraw/zinc/41/09/41/586410941.db2.gz IPICEJSEDARUDH-VIFPVBQESA-N 1 2 217.272 1.264 20 30 BDEDLO Nc1ccc(CN=Nc2nccnc2Cl)c[nH+]1 ZINC000807970899 586454018 /nfs/dbraw/zinc/45/40/18/586454018.db2.gz AWCMPJZVJVPGRL-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO CCc1cc(C[NH2+]Cc2nc(C#N)cs2)[nH]n1 ZINC000810145341 586535590 /nfs/dbraw/zinc/53/55/90/586535590.db2.gz ZKEKORVYRYFEPW-UHFFFAOYSA-N 1 2 247.327 1.590 20 30 BDEDLO COc1ccc(O)c(/C=N/Cc2c[nH+]cn2C)c1 ZINC000811624789 586562110 /nfs/dbraw/zinc/56/21/10/586562110.db2.gz RCBBBWMVBFCHAZ-MKMNVTDBSA-N 1 2 245.282 1.753 20 30 BDEDLO Cn1c[nH+]cc1C/N=C/c1ccccc1O ZINC000811624408 586562158 /nfs/dbraw/zinc/56/21/58/586562158.db2.gz CWMRHRXWMDNJDX-AWNIVKPZSA-N 1 2 215.256 1.745 20 30 BDEDLO COc1cccc(/C=N\Cc2c[nH+]cn2C)c1O ZINC000811624802 586562169 /nfs/dbraw/zinc/56/21/69/586562169.db2.gz RMAFDMXONUAYDG-NSIKDUERSA-N 1 2 245.282 1.753 20 30 BDEDLO Cn1c[nH+]cc1C=NNC[C@H]1CCSC1 ZINC000811659297 586564661 /nfs/dbraw/zinc/56/46/61/586564661.db2.gz UWGRGHWZEOZBJV-SECBINFHSA-N 1 2 224.333 1.097 20 30 BDEDLO C[C@@H](CNc1ccnc(C#N)c1)Cn1cc[nH+]c1 ZINC000811737093 586566514 /nfs/dbraw/zinc/56/65/14/586566514.db2.gz YDVTYIXFZZWCNN-NSHDSACASA-N 1 2 241.298 1.320 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(F)(F)F ZINC000813813163 586606754 /nfs/dbraw/zinc/60/67/54/586606754.db2.gz LHPCVPBHAPNDET-IUCAKERBSA-N 1 2 248.248 1.151 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(F)(F)F ZINC000813813163 586606755 /nfs/dbraw/zinc/60/67/55/586606755.db2.gz LHPCVPBHAPNDET-IUCAKERBSA-N 1 2 248.248 1.151 20 30 BDEDLO Cc1cccc(N[NH+]=Cc2cn(C)[nH]c2=O)c1 ZINC000814212177 586617932 /nfs/dbraw/zinc/61/79/32/586617932.db2.gz HLDMVSGMFZXIFM-UHFFFAOYSA-N 1 2 230.271 1.880 20 30 BDEDLO Cn1cc(C=[NH+]N[C@H]2CCCC2(C)C)c(=O)[nH]1 ZINC000814227514 586618488 /nfs/dbraw/zinc/61/84/88/586618488.db2.gz IMYKXTSKUWQHKW-JTQLQIEISA-N 1 2 236.319 1.628 20 30 BDEDLO C[C@H](N[NH+]=Cc1cn(C)[nH]c1=O)C(C)(C)C ZINC000814229009 586618505 /nfs/dbraw/zinc/61/85/05/586618505.db2.gz PGZPHBKXYNBNHB-QMMMGPOBSA-N 1 2 224.308 1.484 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cccc(CO)c1 ZINC000814919760 586650878 /nfs/dbraw/zinc/65/08/78/586650878.db2.gz ZZKSWTXHPBUYCN-UHFFFAOYSA-N 1 2 244.298 1.749 20 30 BDEDLO Nc1ncc2c(n1)CCCC2=[NH+]OCC1CC1 ZINC000814941269 586655866 /nfs/dbraw/zinc/65/58/66/586655866.db2.gz UCDSLHFVROSALT-UHFFFAOYSA-N 1 2 232.287 1.526 20 30 BDEDLO C#CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000815585108 586688242 /nfs/dbraw/zinc/68/82/42/586688242.db2.gz YLRYIOACWGHGGR-LLVKDONJSA-N 1 2 246.339 1.959 20 30 BDEDLO C=CCC(F)(F)C(=O)NCc1[nH]c[nH+]c1C ZINC000815740519 586693125 /nfs/dbraw/zinc/69/31/25/586693125.db2.gz NJAKPPHKYDPULJ-UHFFFAOYSA-N 1 2 229.230 1.546 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859884427 589068740 /nfs/dbraw/zinc/06/87/40/589068740.db2.gz XPNACBXNJZTEFV-BFVZDQMLSA-N 1 2 233.764 1.724 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859884427 589068742 /nfs/dbraw/zinc/06/87/42/589068742.db2.gz XPNACBXNJZTEFV-BFVZDQMLSA-N 1 2 233.764 1.724 20 30 BDEDLO COC(=O)COc1ccccc1C[NH2+]CCC#N ZINC000819012214 586923671 /nfs/dbraw/zinc/92/36/71/586923671.db2.gz IHKZTIJHOKVYDG-UHFFFAOYSA-N 1 2 248.282 1.242 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1ncccn1 ZINC000819806329 586996009 /nfs/dbraw/zinc/99/60/09/586996009.db2.gz PUFCFYNDHNDGHN-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@@H](C)CC#N ZINC000819808606 586996674 /nfs/dbraw/zinc/99/66/74/586996674.db2.gz DQUDBGZBWBFYTM-JTQLQIEISA-N 1 2 219.292 1.690 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1nc[nH]n1 ZINC000819812239 586997496 /nfs/dbraw/zinc/99/74/96/586997496.db2.gz AMBAUGSNEZQYEV-UHFFFAOYSA-N 1 2 219.252 1.028 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1ccncn1 ZINC000819813700 586998211 /nfs/dbraw/zinc/99/82/11/586998211.db2.gz QVAYNWVWABQMED-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N(C)C[C@@H](C)O ZINC000820640011 587060892 /nfs/dbraw/zinc/06/08/92/587060892.db2.gz NYRMWQZRQUVQQR-GFCCVEGCSA-N 1 2 248.326 1.691 20 30 BDEDLO C=C(C)C(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000821447942 587120363 /nfs/dbraw/zinc/12/03/63/587120363.db2.gz NQPVQPZDBVXGAY-UHFFFAOYSA-N 1 2 241.331 1.464 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000823255032 587211333 /nfs/dbraw/zinc/21/13/33/587211333.db2.gz LAIHBNMPSNMZNE-CYBMUJFWSA-N 1 2 233.315 1.433 20 30 BDEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823627734 587233249 /nfs/dbraw/zinc/23/32/49/587233249.db2.gz PDHPWJIVKFVVOY-NEPJUHHUSA-N 1 2 247.342 1.916 20 30 BDEDLO C#CC[N@@H+](CC)Cc1c(C(F)(F)F)cnn1C ZINC000824627779 587280173 /nfs/dbraw/zinc/28/01/73/587280173.db2.gz WPFAPGUMVPBIOX-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO C#CC[N@H+](CC)Cc1c(C(F)(F)F)cnn1C ZINC000824627779 587280175 /nfs/dbraw/zinc/28/01/75/587280175.db2.gz WPFAPGUMVPBIOX-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO C#C[C@H]([NH2+]Cc1csnn1)C1CCOCC1 ZINC000827566228 587388821 /nfs/dbraw/zinc/38/88/21/587388821.db2.gz UFGMYBOMOVZARO-NSHDSACASA-N 1 2 237.328 1.056 20 30 BDEDLO C#CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000829073046 587482202 /nfs/dbraw/zinc/48/22/02/587482202.db2.gz VNBWJCMQRVVYPD-LBPRGKRZSA-N 1 2 241.294 1.026 20 30 BDEDLO C#CCCCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000830035326 587532879 /nfs/dbraw/zinc/53/28/79/587532879.db2.gz JZVITERBDKOFMG-LLVKDONJSA-N 1 2 245.326 1.434 20 30 BDEDLO C#CCCCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000830035326 587532881 /nfs/dbraw/zinc/53/28/81/587532881.db2.gz JZVITERBDKOFMG-LLVKDONJSA-N 1 2 245.326 1.434 20 30 BDEDLO C#CCN(C(=O)/C=C/c1cn(C)c[nH+]1)C(C)C ZINC000830154295 587538727 /nfs/dbraw/zinc/53/87/27/587538727.db2.gz CIWWPRDNMUWPTO-VOTSOKGWSA-N 1 2 231.299 1.304 20 30 BDEDLO C#CC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000830334004 587546285 /nfs/dbraw/zinc/54/62/85/587546285.db2.gz SXPDWUAVHPLVLB-UHFFFAOYSA-N 1 2 249.339 1.427 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000834770547 587766456 /nfs/dbraw/zinc/76/64/56/587766456.db2.gz VMNQFKHLPQVRGK-RVMXOQNASA-N 1 2 245.326 1.659 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836422476 587832815 /nfs/dbraw/zinc/83/28/15/587832815.db2.gz OUEXQOBSSYPRSG-QWRGUYRKSA-N 1 2 246.314 1.429 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2=CC[C@H](C)CC2)CC1 ZINC000836699681 587835848 /nfs/dbraw/zinc/83/58/48/587835848.db2.gz ZTELLEXGEIDGKZ-ZDUSSCGKSA-N 1 2 246.354 1.510 20 30 BDEDLO C=CC[N@@H+](CCc1ccccn1)CC(=O)OCC ZINC000102949761 587903425 /nfs/dbraw/zinc/90/34/25/587903425.db2.gz MXNFJZIYXIPIEZ-UHFFFAOYSA-N 1 2 248.326 1.675 20 30 BDEDLO C=CC[N@H+](CCc1ccccn1)CC(=O)OCC ZINC000102949761 587903426 /nfs/dbraw/zinc/90/34/26/587903426.db2.gz MXNFJZIYXIPIEZ-UHFFFAOYSA-N 1 2 248.326 1.675 20 30 BDEDLO CCn1c[nH+]cc1CN=Nc1oc(C)nc1C#N ZINC000841618014 587960236 /nfs/dbraw/zinc/96/02/36/587960236.db2.gz CARVHUJTWJBIQR-UHFFFAOYSA-N 1 2 244.258 1.517 20 30 BDEDLO N#CC1(CO[NH+]=C(N)[C@@H]2CCCO2)CCC1 ZINC000842046258 587992403 /nfs/dbraw/zinc/99/24/03/587992403.db2.gz AHZOGMKAHCNEAL-VIFPVBQESA-N 1 2 223.276 1.358 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cncnc1OC ZINC000842683256 588052081 /nfs/dbraw/zinc/05/20/81/588052081.db2.gz IJDZLIBOYWPBTC-UHFFFAOYSA-N 1 2 213.668 1.327 20 30 BDEDLO C=C(Br)C[NH2+]Cc1cc[nH]n1 ZINC000105453148 588173868 /nfs/dbraw/zinc/17/38/68/588173868.db2.gz ZSGPUSLAZBHWIE-UHFFFAOYSA-N 1 2 216.082 1.408 20 30 BDEDLO CC/C(C)=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844528720 588200903 /nfs/dbraw/zinc/20/09/03/588200903.db2.gz XKGJXTMRJQTAJE-OFFHKIPUSA-N 1 2 223.320 1.303 20 30 BDEDLO CC[C@@H](C#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283727 588225850 /nfs/dbraw/zinc/22/58/50/588225850.db2.gz GPQCEPYZYGPRED-UWVGGRQHSA-N 1 2 221.260 1.680 20 30 BDEDLO C[C@H](CC(=O)OC1(C#N)CCC1)n1cc[nH+]c1 ZINC000845485379 588230251 /nfs/dbraw/zinc/23/02/51/588230251.db2.gz JDKFFEBKNZHAEH-SNVBAGLBSA-N 1 2 233.271 1.824 20 30 BDEDLO C#C[C@H](CC)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845516778 588231114 /nfs/dbraw/zinc/23/11/14/588231114.db2.gz PIZRRBTVYSATRN-WDEREUQCSA-N 1 2 220.272 1.789 20 30 BDEDLO C[C@H](CC(=O)OCC(C)(C)C#N)n1cc[nH+]c1 ZINC000845512086 588231415 /nfs/dbraw/zinc/23/14/15/588231415.db2.gz ZSPDUBLMKXAOTJ-SNVBAGLBSA-N 1 2 235.287 1.927 20 30 BDEDLO CCn1ncc(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000846009930 588253516 /nfs/dbraw/zinc/25/35/16/588253516.db2.gz FSPMISRCDNJYFO-UHFFFAOYSA-N 1 2 233.319 1.472 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000846534700 588271177 /nfs/dbraw/zinc/27/11/77/588271177.db2.gz ZAHGYKHBZHJDLM-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO C=C[C@H](C)ONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846554874 588277033 /nfs/dbraw/zinc/27/70/33/588277033.db2.gz KXABBEPDPMFLDV-UWVGGRQHSA-N 1 2 223.276 1.457 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)C1 ZINC000847024833 588303618 /nfs/dbraw/zinc/30/36/18/588303618.db2.gz LRFVXYZDSJHQPW-GHMZBOCLSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)C1 ZINC000847024833 588303619 /nfs/dbraw/zinc/30/36/19/588303619.db2.gz LRFVXYZDSJHQPW-GHMZBOCLSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC000847117847 588306739 /nfs/dbraw/zinc/30/67/39/588306739.db2.gz UFWUZBFFJUEKNN-IJLUTSLNSA-N 1 2 245.326 1.298 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848245483 588367322 /nfs/dbraw/zinc/36/73/22/588367322.db2.gz MAZHLCYITTYOGF-RKDXNWHRSA-N 1 2 223.276 1.211 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848245483 588367325 /nfs/dbraw/zinc/36/73/25/588367325.db2.gz MAZHLCYITTYOGF-RKDXNWHRSA-N 1 2 223.276 1.211 20 30 BDEDLO Cc1nocc1C=NNCCCn1cc[nH+]c1 ZINC000848416165 588381455 /nfs/dbraw/zinc/38/14/55/588381455.db2.gz BABSXWNYQNZDJM-UHFFFAOYSA-N 1 2 233.275 1.193 20 30 BDEDLO C[C@@H]1CSCC1=NNCCCn1cc[nH+]c1 ZINC000848417053 588381496 /nfs/dbraw/zinc/38/14/96/588381496.db2.gz IZZLWUGJNYZYBG-SNVBAGLBSA-N 1 2 238.360 1.602 20 30 BDEDLO C[C@@H]1C[C@@H]1CN=NCCCn1cc[nH+]c1 ZINC000848418345 588381933 /nfs/dbraw/zinc/38/19/33/588381933.db2.gz MJLNOSXTDQKEHM-GHMZBOCLSA-N 1 2 206.293 1.505 20 30 BDEDLO Cc1noc(C)c1C=NNCCCn1cc[nH+]c1 ZINC000848419043 588382185 /nfs/dbraw/zinc/38/21/85/588382185.db2.gz PTDZXEUHBVDBDF-UHFFFAOYSA-N 1 2 247.302 1.502 20 30 BDEDLO CO[C@@H](C)C(C)N=NCCCn1cc[nH+]c1 ZINC000848418687 588382309 /nfs/dbraw/zinc/38/23/09/588382309.db2.gz PHSOGWBUVZMNDT-NSHDSACASA-N 1 2 224.308 1.274 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000848494100 588388056 /nfs/dbraw/zinc/38/80/56/588388056.db2.gz UWAFYYKTPQDWMH-SNVBAGLBSA-N 1 2 222.313 1.213 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2ccsc2=O)C1 ZINC000848494100 588388057 /nfs/dbraw/zinc/38/80/57/588388057.db2.gz UWAFYYKTPQDWMH-SNVBAGLBSA-N 1 2 222.313 1.213 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CCC#N)c(C)o1 ZINC000848907527 588419192 /nfs/dbraw/zinc/41/91/92/588419192.db2.gz PBPASMQLGOBHEY-UHFFFAOYSA-N 1 2 222.244 1.378 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(CC)c1O ZINC000848917900 588420590 /nfs/dbraw/zinc/42/05/90/588420590.db2.gz ZYQBFAKNTPXWTK-AWEZNQCLSA-N 1 2 245.322 1.789 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848917900 588420591 /nfs/dbraw/zinc/42/05/91/588420591.db2.gz ZYQBFAKNTPXWTK-AWEZNQCLSA-N 1 2 245.322 1.789 20 30 BDEDLO Cn1c(Cl)ncc1C[NH2+]CC1(C#N)CCC1 ZINC000848918191 588420760 /nfs/dbraw/zinc/42/07/60/588420760.db2.gz RYWAVMBULZNFDF-UHFFFAOYSA-N 1 2 238.722 1.857 20 30 BDEDLO Cc1[nH]c(CNCc2ccc(C#N)cn2)[nH+]c1C ZINC000850265672 588533792 /nfs/dbraw/zinc/53/37/92/588533792.db2.gz HWKPIAMCOOCQCY-UHFFFAOYSA-N 1 2 241.298 1.583 20 30 BDEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)cn2)[nH]c1C ZINC000850265672 588533793 /nfs/dbraw/zinc/53/37/93/588533793.db2.gz HWKPIAMCOOCQCY-UHFFFAOYSA-N 1 2 241.298 1.583 20 30 BDEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000007358775 588534552 /nfs/dbraw/zinc/53/45/52/588534552.db2.gz WQKRNNBWQGKIQQ-UHFFFAOYSA-N 1 2 234.274 1.007 20 30 BDEDLO C#CCNC(=O)C[N@H+](C)Cc1ccccc1F ZINC000007358775 588534553 /nfs/dbraw/zinc/53/45/53/588534553.db2.gz WQKRNNBWQGKIQQ-UHFFFAOYSA-N 1 2 234.274 1.007 20 30 BDEDLO C#CC[N@H+](Cc1cnon1)C1CCCCC1 ZINC000851737829 588620766 /nfs/dbraw/zinc/62/07/66/588620766.db2.gz OYTKXLKAXABGDD-UHFFFAOYSA-N 1 2 219.288 1.838 20 30 BDEDLO C#CC[N@@H+](Cc1cnon1)C1CCCCC1 ZINC000851737829 588620767 /nfs/dbraw/zinc/62/07/67/588620767.db2.gz OYTKXLKAXABGDD-UHFFFAOYSA-N 1 2 219.288 1.838 20 30 BDEDLO N#CC[N@@H+](C[C@@H]1CCC(=O)O1)C1CCCC1 ZINC000851778535 588627106 /nfs/dbraw/zinc/62/71/06/588627106.db2.gz HEKRGLCJBOGAHB-NSHDSACASA-N 1 2 222.288 1.460 20 30 BDEDLO N#CC[N@H+](C[C@@H]1CCC(=O)O1)C1CCCC1 ZINC000851778535 588627107 /nfs/dbraw/zinc/62/71/07/588627107.db2.gz HEKRGLCJBOGAHB-NSHDSACASA-N 1 2 222.288 1.460 20 30 BDEDLO C#CC[N@@H+](Cc1cc(OC)ns1)C1CC1 ZINC000851938115 588645858 /nfs/dbraw/zinc/64/58/58/588645858.db2.gz JSVBCWKUYQXXDV-UHFFFAOYSA-N 1 2 222.313 1.749 20 30 BDEDLO C#CC[N@H+](Cc1cc(OC)ns1)C1CC1 ZINC000851938115 588645859 /nfs/dbraw/zinc/64/58/59/588645859.db2.gz JSVBCWKUYQXXDV-UHFFFAOYSA-N 1 2 222.313 1.749 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1csnn1 ZINC000852103855 588663560 /nfs/dbraw/zinc/66/35/60/588663560.db2.gz TYVMFYWCWPAQDS-WPRPVWTQSA-N 1 2 209.318 1.991 20 30 BDEDLO COC(=O)C1(C#N)CC[NH+](CCCC#N)CC1 ZINC000852136627 588666019 /nfs/dbraw/zinc/66/60/19/588666019.db2.gz NARVUSFNVZGINN-UHFFFAOYSA-N 1 2 235.287 1.069 20 30 BDEDLO C=CC[N@H+]([C@@H](C)COC)[C@@H](C)C(=O)OCCC ZINC000852358329 588679942 /nfs/dbraw/zinc/67/99/42/588679942.db2.gz QCVLSUMSWMUTCP-RYUDHWBXSA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@@H+]([C@@H](C)COC)[C@@H](C)C(=O)OCCC ZINC000852358329 588679943 /nfs/dbraw/zinc/67/99/43/588679943.db2.gz QCVLSUMSWMUTCP-RYUDHWBXSA-N 1 2 243.347 1.851 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(=O)OC ZINC000862392643 589208257 /nfs/dbraw/zinc/20/82/57/589208257.db2.gz OAOXEKSRYKIWJQ-WCBMZHEXSA-N 1 2 245.269 1.575 20 30 BDEDLO CCO[C@@H]1CC(=[NH+]n2cccn2)[C@@H]1SC ZINC000863163805 589266138 /nfs/dbraw/zinc/26/61/38/589266138.db2.gz PQDBXAUHDPNISW-ZJUUUORDSA-N 1 2 225.317 1.628 20 30 BDEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[C@@H]1C#N ZINC000864079379 589340736 /nfs/dbraw/zinc/34/07/36/589340736.db2.gz XBMCLWAAXDMTHW-KOLCDFICSA-N 1 2 232.287 1.103 20 30 BDEDLO Cc1ncc(CO)c(/C=[NH+]/CC2CC=CC2)c1O ZINC000864345429 589354252 /nfs/dbraw/zinc/35/42/52/589354252.db2.gz WOHQCLSPHMHXRF-OVCLIPMQSA-N 1 2 246.310 1.973 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(C#N)c1 ZINC000864884553 589399919 /nfs/dbraw/zinc/39/99/19/589399919.db2.gz NAOCQLCAKSFKPM-VIFPVBQESA-N 1 2 244.254 1.166 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000120471592 589416755 /nfs/dbraw/zinc/41/67/55/589416755.db2.gz BJXRKOMTSHVJFX-ZIAGYGMSSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000120471426 589417001 /nfs/dbraw/zinc/41/70/01/589417001.db2.gz BJXRKOMTSHVJFX-KBPBESRZSA-N 1 2 248.370 1.590 20 30 BDEDLO C=CCOCSc1nc(N)cc(CC)[nH+]1 ZINC000865366245 589426828 /nfs/dbraw/zinc/42/68/28/589426828.db2.gz BUMKJDIUROUHIP-UHFFFAOYSA-N 1 2 225.317 1.873 20 30 BDEDLO Cc1cc(NC(=O)[C@]2(C#N)CCCOC2)cc[nH+]1 ZINC000865741838 589460148 /nfs/dbraw/zinc/46/01/48/589460148.db2.gz TYRSDOOWQHVKFT-ZDUSSCGKSA-N 1 2 245.282 1.071 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(Cl)cn1 ZINC000866107060 589476477 /nfs/dbraw/zinc/47/64/77/589476477.db2.gz SUFZYDVNHRAAPD-ZETCQYMHSA-N 1 2 210.668 1.522 20 30 BDEDLO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(C#N)c1O ZINC000866260832 589483571 /nfs/dbraw/zinc/48/35/71/589483571.db2.gz XYUORUKATLIMGX-ZYHUDNBSSA-N 1 2 245.326 1.619 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C#N)c1O ZINC000866379365 589488746 /nfs/dbraw/zinc/48/87/46/589488746.db2.gz MBIJMQXXLDTKIU-XXILOJSOSA-N 1 2 232.283 1.438 20 30 BDEDLO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C#N)c1O ZINC000866375590 589488811 /nfs/dbraw/zinc/48/88/11/589488811.db2.gz DCYPZWUIVVJUPH-NURSFMCSSA-N 1 2 246.310 1.828 20 30 BDEDLO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C#N)c1O ZINC000866375591 589488816 /nfs/dbraw/zinc/48/88/16/589488816.db2.gz DCYPZWUIVVJUPH-UDZFHETQSA-N 1 2 246.310 1.828 20 30 BDEDLO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc(C#N)c1O ZINC000866415876 589492033 /nfs/dbraw/zinc/49/20/33/589492033.db2.gz HCNHAVUIJQIPJK-JBLDHEPKSA-N 1 2 246.310 1.685 20 30 BDEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000868615483 589568504 /nfs/dbraw/zinc/56/85/04/589568504.db2.gz KGGXHCWJTXHYHA-SNVBAGLBSA-N 1 2 248.330 1.599 20 30 BDEDLO CC(C)(NC(=O)c1coc(C#N)c1)c1[nH]cc[nH+]1 ZINC000868730819 589574841 /nfs/dbraw/zinc/57/48/41/589574841.db2.gz BAFAUMOUUJBCCX-UHFFFAOYSA-N 1 2 244.254 1.539 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000123097579 589661838 /nfs/dbraw/zinc/66/18/38/589661838.db2.gz BBBOLRJLPGOBIW-NSHDSACASA-N 1 2 226.283 1.379 20 30 BDEDLO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(C#N)c1O ZINC000872125405 589876270 /nfs/dbraw/zinc/87/62/70/589876270.db2.gz BEQMKBBNZWSCCP-CKYFFXLPSA-N 1 2 246.310 1.685 20 30 BDEDLO F[C@@H]1CCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000872359830 589918698 /nfs/dbraw/zinc/91/86/98/589918698.db2.gz QJUOBNLTTXVSHK-FBIMIBRVSA-N 1 2 238.310 1.724 20 30 BDEDLO C(=NOC1CCOCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872367217 589921680 /nfs/dbraw/zinc/92/16/80/589921680.db2.gz SJVWYDVGGWQCKN-UHFFFAOYSA-N 1 2 246.270 1.439 20 30 BDEDLO COc1cncc(C=NNc2[nH+]ccn2C)c1C ZINC000872370015 589923278 /nfs/dbraw/zinc/92/32/78/589923278.db2.gz QBOFHMAULDJGNO-UHFFFAOYSA-N 1 2 245.286 1.578 20 30 BDEDLO c1[nH+]c(CN=Nc2cncnc2)cn1C1CC1 ZINC000872372932 589924052 /nfs/dbraw/zinc/92/40/52/589924052.db2.gz SLKJHOKTMDKETF-UHFFFAOYSA-N 1 2 228.259 1.454 20 30 BDEDLO N#CC1(C[NH2+]Cc2cnc(N)cn2)CCCCC1 ZINC000873212328 589996433 /nfs/dbraw/zinc/99/64/33/589996433.db2.gz JFNCLXMHJXJTQB-UHFFFAOYSA-N 1 2 245.330 1.622 20 30 BDEDLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000875706023 590168966 /nfs/dbraw/zinc/16/89/66/590168966.db2.gz YJSHVRFDIVRLHR-OIRVYTLQSA-N 1 2 249.358 1.239 20 30 BDEDLO C[C@H](C#N)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000876449914 590201225 /nfs/dbraw/zinc/20/12/25/590201225.db2.gz RZONBXOLFWAJDC-SECBINFHSA-N 1 2 228.255 1.318 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000876589321 590219232 /nfs/dbraw/zinc/21/92/32/590219232.db2.gz KDAUNGYFSHIUQL-JTQLQIEISA-N 1 2 237.690 1.173 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000876589321 590219233 /nfs/dbraw/zinc/21/92/33/590219233.db2.gz KDAUNGYFSHIUQL-JTQLQIEISA-N 1 2 237.690 1.173 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@](C)(CC)OC ZINC000876609207 590221885 /nfs/dbraw/zinc/22/18/85/590221885.db2.gz JEAFLKIIAMPAHO-ZDUSSCGKSA-N 1 2 243.347 1.853 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@](C)(CC)OC ZINC000876609207 590221886 /nfs/dbraw/zinc/22/18/86/590221886.db2.gz JEAFLKIIAMPAHO-ZDUSSCGKSA-N 1 2 243.347 1.853 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(CCOC)s1 ZINC000876746173 590235752 /nfs/dbraw/zinc/23/57/52/590235752.db2.gz UWVAWWRLIAVPKM-UHFFFAOYSA-N 1 2 248.351 1.400 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cc(C(=O)OCC)no1 ZINC000877149211 590292850 /nfs/dbraw/zinc/29/28/50/590292850.db2.gz IDIMDPJNLBEAPL-UHFFFAOYSA-N 1 2 244.678 1.693 20 30 BDEDLO COC(=O)c1csc(C[NH2+][C@@H](C)CC#N)c1 ZINC000877320326 590315638 /nfs/dbraw/zinc/31/56/38/590315638.db2.gz XRHLDDCRJGKAMV-QMMMGPOBSA-N 1 2 238.312 1.926 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)cnc1F ZINC000877479759 590337215 /nfs/dbraw/zinc/33/72/15/590337215.db2.gz GJMJHMXCAVFNOB-VIFPVBQESA-N 1 2 222.263 1.683 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)cnc1F ZINC000877479759 590337218 /nfs/dbraw/zinc/33/72/18/590337218.db2.gz GJMJHMXCAVFNOB-VIFPVBQESA-N 1 2 222.263 1.683 20 30 BDEDLO COC(=O)c1[nH]c(C[NH2+]CCC#N)cc1C ZINC000877483856 590337734 /nfs/dbraw/zinc/33/77/34/590337734.db2.gz RAQUMPNOXFXNSU-UHFFFAOYSA-N 1 2 221.260 1.113 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](CC)C1CC1)C(=O)OC ZINC000877582644 590366333 /nfs/dbraw/zinc/36/63/33/590366333.db2.gz DAVARCQQUOCSKZ-QWRGUYRKSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C(=O)OC ZINC000877582532 590367223 /nfs/dbraw/zinc/36/72/23/590367223.db2.gz ADEAQBGMKDBSHB-YIZRAAEISA-N 1 2 231.242 1.185 20 30 BDEDLO C[C@H](CCC#N)C[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000877596661 590370417 /nfs/dbraw/zinc/37/04/17/590370417.db2.gz VRXDRCSXFUOOSF-SNVBAGLBSA-N 1 2 237.303 1.063 20 30 BDEDLO CCCn1cc(C[NH2+]CC2(C#N)CCCC2)nn1 ZINC000877609042 590372339 /nfs/dbraw/zinc/37/23/39/590372339.db2.gz DHRAXTYOGMQAPN-UHFFFAOYSA-N 1 2 247.346 1.862 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@H]1C[C@@H]1C ZINC000877710924 590398869 /nfs/dbraw/zinc/39/88/69/590398869.db2.gz ZHJHPMZTDMFAML-VHSXEESVSA-N 1 2 210.277 1.031 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@H]1C[C@@H]1C ZINC000877710924 590398873 /nfs/dbraw/zinc/39/88/73/590398873.db2.gz ZHJHPMZTDMFAML-VHSXEESVSA-N 1 2 210.277 1.031 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccco1 ZINC000877906271 590444838 /nfs/dbraw/zinc/44/48/38/590444838.db2.gz MHRJFAFAAVFZGR-NSHDSACASA-N 1 2 223.272 1.829 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccco1 ZINC000877906271 590444841 /nfs/dbraw/zinc/44/48/41/590444841.db2.gz MHRJFAFAAVFZGR-NSHDSACASA-N 1 2 223.272 1.829 20 30 BDEDLO CCN(CC#N)Cc1[nH+]ccn1CC(F)F ZINC000878032759 590475748 /nfs/dbraw/zinc/47/57/48/590475748.db2.gz UCKZZSMBRJTDFQ-UHFFFAOYSA-N 1 2 228.246 1.494 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CC2(CCC2)CO1 ZINC000878174523 590515154 /nfs/dbraw/zinc/51/51/54/590515154.db2.gz CSKNLOPNGANDBJ-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CC2(CCC2)CO1 ZINC000878174523 590515156 /nfs/dbraw/zinc/51/51/56/590515156.db2.gz CSKNLOPNGANDBJ-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO C#CCCCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000878333909 590548461 /nfs/dbraw/zinc/54/84/61/590548461.db2.gz IUXGCLSQBJJDIB-CYBMUJFWSA-N 1 2 239.315 1.102 20 30 BDEDLO C[N@H+](CC1(CC#N)CC1)[C@H]1CC(C)(C)OC1=O ZINC000878644774 590600568 /nfs/dbraw/zinc/60/05/68/590600568.db2.gz BPCNHBUCMMKVEZ-JTQLQIEISA-N 1 2 236.315 1.706 20 30 BDEDLO C[N@@H+](CC1(CC#N)CC1)[C@H]1CC(C)(C)OC1=O ZINC000878644774 590600569 /nfs/dbraw/zinc/60/05/69/590600569.db2.gz BPCNHBUCMMKVEZ-JTQLQIEISA-N 1 2 236.315 1.706 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](CC=C)C(=O)OC ZINC000878661857 590605711 /nfs/dbraw/zinc/60/57/11/590605711.db2.gz IVVXMSYNZILHQQ-JQWIXIFHSA-N 1 2 209.289 1.496 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ncccc1C ZINC000878699178 590612201 /nfs/dbraw/zinc/61/22/01/590612201.db2.gz OCRUFJYEVZBRSL-LLVKDONJSA-N 1 2 246.314 1.610 20 30 BDEDLO Cc1conc1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771522 590620539 /nfs/dbraw/zinc/62/05/39/590620539.db2.gz NZMLDOJIVHIFIG-RYUDHWBXSA-N 1 2 248.330 1.401 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793895 590624092 /nfs/dbraw/zinc/62/40/92/590624092.db2.gz XCEANIJSIJLHAV-VIFPVBQESA-N 1 2 228.723 1.506 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793895 590624093 /nfs/dbraw/zinc/62/40/93/590624093.db2.gz XCEANIJSIJLHAV-VIFPVBQESA-N 1 2 228.723 1.506 20 30 BDEDLO C#CCCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878915004 590649617 /nfs/dbraw/zinc/64/96/17/590649617.db2.gz NZAHHPRRXCGFAS-LLVKDONJSA-N 1 2 231.286 1.882 20 30 BDEDLO C#CCCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878915004 590649621 /nfs/dbraw/zinc/64/96/21/590649621.db2.gz NZAHHPRRXCGFAS-LLVKDONJSA-N 1 2 231.286 1.882 20 30 BDEDLO CCN(Cc1[nH+]ccn1CC(F)F)[C@@H](C)C#N ZINC000878989400 590669719 /nfs/dbraw/zinc/66/97/19/590669719.db2.gz VSUZRKMKSQDZGX-VIFPVBQESA-N 1 2 242.273 1.882 20 30 BDEDLO C#CC1(NC(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000879073482 590693442 /nfs/dbraw/zinc/69/34/42/590693442.db2.gz UZIKRYDLODDKBO-UHFFFAOYSA-N 1 2 243.310 1.879 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)CCOCCC#N ZINC000879188290 590709772 /nfs/dbraw/zinc/70/97/72/590709772.db2.gz JRHUPGLVDUNFJE-UHFFFAOYSA-N 1 2 222.292 1.080 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)CCOCCC#N ZINC000879188290 590709775 /nfs/dbraw/zinc/70/97/75/590709775.db2.gz JRHUPGLVDUNFJE-UHFFFAOYSA-N 1 2 222.292 1.080 20 30 BDEDLO COC(C[N@H+](C)[C@H]1CCC[C@H]1C#N)OC ZINC000879311715 590729404 /nfs/dbraw/zinc/72/94/04/590729404.db2.gz UEECVOPYXBNPIK-UWVGGRQHSA-N 1 2 212.293 1.229 20 30 BDEDLO COC(C[N@@H+](C)[C@H]1CCC[C@H]1C#N)OC ZINC000879311715 590729406 /nfs/dbraw/zinc/72/94/06/590729406.db2.gz UEECVOPYXBNPIK-UWVGGRQHSA-N 1 2 212.293 1.229 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1CC(F)(F)C1 ZINC000879471549 590775689 /nfs/dbraw/zinc/77/56/89/590775689.db2.gz AMMKWAVRGGXZEI-UHFFFAOYSA-N 1 2 246.257 1.420 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1CC(F)(F)C1 ZINC000879471549 590775687 /nfs/dbraw/zinc/77/56/87/590775687.db2.gz AMMKWAVRGGXZEI-UHFFFAOYSA-N 1 2 246.257 1.420 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccnn1C ZINC000879686471 590848151 /nfs/dbraw/zinc/84/81/51/590848151.db2.gz ZRBTYVXDNBOOCH-SECBINFHSA-N 1 2 204.277 1.374 20 30 BDEDLO N#CCC[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689469 590849664 /nfs/dbraw/zinc/84/96/64/590849664.db2.gz PTJYPEYNUGGBDK-ZDUSSCGKSA-N 1 2 242.326 1.780 20 30 BDEDLO N#CCC[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689469 590849667 /nfs/dbraw/zinc/84/96/67/590849667.db2.gz PTJYPEYNUGGBDK-ZDUSSCGKSA-N 1 2 242.326 1.780 20 30 BDEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764505 590865881 /nfs/dbraw/zinc/86/58/81/590865881.db2.gz YHEUPBDMZRMGON-SECBINFHSA-N 1 2 236.237 1.315 20 30 BDEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764505 590865883 /nfs/dbraw/zinc/86/58/83/590865883.db2.gz YHEUPBDMZRMGON-SECBINFHSA-N 1 2 236.237 1.315 20 30 BDEDLO C=C(C)[C@H](CO)[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879982783 590903894 /nfs/dbraw/zinc/90/38/94/590903894.db2.gz MCXDMDFBTXXVRO-RYUDHWBXSA-N 1 2 241.331 1.245 20 30 BDEDLO C=C(C)[C@H](CO)[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879982781 590904416 /nfs/dbraw/zinc/90/44/16/590904416.db2.gz MCXDMDFBTXXVRO-NEPJUHHUSA-N 1 2 241.331 1.245 20 30 BDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(F)CC1 ZINC000880243052 590976609 /nfs/dbraw/zinc/97/66/09/590976609.db2.gz CQRAXTPWKBFBKR-SNVBAGLBSA-N 1 2 209.268 1.864 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(F)CC1 ZINC000880243051 590977070 /nfs/dbraw/zinc/97/70/70/590977070.db2.gz CQRAXTPWKBFBKR-JTQLQIEISA-N 1 2 209.268 1.864 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000128362261 591011368 /nfs/dbraw/zinc/01/13/68/591011368.db2.gz GCKPIJRHTAKQRH-UHFFFAOYSA-N 1 2 242.322 1.386 20 30 BDEDLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1nc(C#N)cs1 ZINC000880444553 591045720 /nfs/dbraw/zinc/04/57/20/591045720.db2.gz WCGBXZIKNIPHHN-PSASIEDQSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1nc(C#N)cs1 ZINC000880444553 591045724 /nfs/dbraw/zinc/04/57/24/591045724.db2.gz WCGBXZIKNIPHHN-PSASIEDQSA-N 1 2 237.328 1.360 20 30 BDEDLO C=CCONC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000880607867 591109662 /nfs/dbraw/zinc/10/96/62/591109662.db2.gz FBXSEHCDTUMZCE-UHFFFAOYSA-N 1 2 236.275 1.387 20 30 BDEDLO C#CC1(F)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000881938508 591280793 /nfs/dbraw/zinc/28/07/93/591280793.db2.gz OUXKVDZBNIHYTA-JTQLQIEISA-N 1 2 235.262 1.018 20 30 BDEDLO C#CC1(NC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC000882535214 591386708 /nfs/dbraw/zinc/38/67/08/591386708.db2.gz PKSBSMIXOCZQOZ-UHFFFAOYSA-N 1 2 245.326 1.726 20 30 BDEDLO C#CCCCn1cc[nH+]c1CN1CCOCC1 ZINC000883003132 591504571 /nfs/dbraw/zinc/50/45/71/591504571.db2.gz ZUVPCFVZTGPKHJ-UHFFFAOYSA-N 1 2 233.315 1.129 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(C)o1)C(C)(C)C ZINC000131391409 591607125 /nfs/dbraw/zinc/60/71/25/591607125.db2.gz CCRYIOWSNTZMSG-UHFFFAOYSA-N 1 2 207.277 1.612 20 30 BDEDLO C#CC[N@H+](Cc1nnc(C)o1)C(C)(C)C ZINC000131391409 591607126 /nfs/dbraw/zinc/60/71/26/591607126.db2.gz CCRYIOWSNTZMSG-UHFFFAOYSA-N 1 2 207.277 1.612 20 30 BDEDLO CCn1c[nH+]cc1CNc1cccc(CC#N)n1 ZINC000883357592 591627844 /nfs/dbraw/zinc/62/78/44/591627844.db2.gz ONYUGHAJXXNYFG-UHFFFAOYSA-N 1 2 241.298 1.976 20 30 BDEDLO C#C[C@H]1CCCN(c2cc[nH+]c(CC)n2)C1 ZINC000884547723 591975153 /nfs/dbraw/zinc/97/51/53/591975153.db2.gz SKWBWJXCSGPYEK-NSHDSACASA-N 1 2 215.300 1.889 20 30 BDEDLO CC[N@H+](CCC#N)C[C@](C)(O)C(F)F ZINC000886030475 592137195 /nfs/dbraw/zinc/13/71/95/592137195.db2.gz LJXHTSHTWCTFAS-VIFPVBQESA-N 1 2 206.236 1.238 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@](C)(O)C(F)F ZINC000886030475 592137196 /nfs/dbraw/zinc/13/71/96/592137196.db2.gz LJXHTSHTWCTFAS-VIFPVBQESA-N 1 2 206.236 1.238 20 30 BDEDLO C=CC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886145057 592162479 /nfs/dbraw/zinc/16/24/79/592162479.db2.gz NZICXCOOEPQCDP-UHFFFAOYSA-N 1 2 207.233 1.608 20 30 BDEDLO C=CC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886145057 592162480 /nfs/dbraw/zinc/16/24/80/592162480.db2.gz NZICXCOOEPQCDP-UHFFFAOYSA-N 1 2 207.233 1.608 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886173357 592169235 /nfs/dbraw/zinc/16/92/35/592169235.db2.gz NEOQGRNVYUSNRD-SECBINFHSA-N 1 2 219.244 1.443 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886173357 592169238 /nfs/dbraw/zinc/16/92/38/592169238.db2.gz NEOQGRNVYUSNRD-SECBINFHSA-N 1 2 219.244 1.443 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886215804 592178381 /nfs/dbraw/zinc/17/83/81/592178381.db2.gz RMGKTYUOXWKICI-CYBMUJFWSA-N 1 2 247.342 1.833 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886215804 592178382 /nfs/dbraw/zinc/17/83/82/592178382.db2.gz RMGKTYUOXWKICI-CYBMUJFWSA-N 1 2 247.342 1.833 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886240951 592182518 /nfs/dbraw/zinc/18/25/18/592182518.db2.gz KHBWCPFFLSVPFU-SNVBAGLBSA-N 1 2 234.259 1.772 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886243377 592183808 /nfs/dbraw/zinc/18/38/08/592183808.db2.gz XONLPUZUJXMMNE-HZSPNIEDSA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886243377 592183810 /nfs/dbraw/zinc/18/38/10/592183810.db2.gz XONLPUZUJXMMNE-HZSPNIEDSA-N 1 2 235.327 1.278 20 30 BDEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000886364101 592218605 /nfs/dbraw/zinc/21/86/05/592218605.db2.gz OPOUQDRLYVWIGO-JTQLQIEISA-N 1 2 235.287 1.061 20 30 BDEDLO C#CC[C@H]1CC[N@H+](Cc2noc(COC)n2)C1 ZINC000886364101 592218606 /nfs/dbraw/zinc/21/86/06/592218606.db2.gz OPOUQDRLYVWIGO-JTQLQIEISA-N 1 2 235.287 1.061 20 30 BDEDLO CCn1c[nH+]c2c1CCN(C(=O)CCCC#N)C2 ZINC000886611757 592276100 /nfs/dbraw/zinc/27/61/00/592276100.db2.gz OYBCIZDOBSQNDM-UHFFFAOYSA-N 1 2 246.314 1.482 20 30 BDEDLO C=CCCC(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886623239 592279106 /nfs/dbraw/zinc/27/91/06/592279106.db2.gz YIPHKJFYMOBJML-UHFFFAOYSA-N 1 2 233.315 1.754 20 30 BDEDLO C#CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000886802590 592332666 /nfs/dbraw/zinc/33/26/66/592332666.db2.gz QLEGMOCVTPSKTF-GHMZBOCLSA-N 1 2 243.310 1.575 20 30 BDEDLO C#CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000886802590 592332668 /nfs/dbraw/zinc/33/26/68/592332668.db2.gz QLEGMOCVTPSKTF-GHMZBOCLSA-N 1 2 243.310 1.575 20 30 BDEDLO C=CC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886958631 592402293 /nfs/dbraw/zinc/40/22/93/592402293.db2.gz BHEOBTUEONOXOM-GHMZBOCLSA-N 1 2 227.304 1.263 20 30 BDEDLO C=CCC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886963402 592402427 /nfs/dbraw/zinc/40/24/27/592402427.db2.gz PJDLNXGNOVRKDZ-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)CCCF)nn1 ZINC000887142291 592458854 /nfs/dbraw/zinc/45/88/54/592458854.db2.gz DJFHPYNEXYMMHW-UHFFFAOYSA-N 1 2 226.299 1.646 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)CCCF)nn1 ZINC000887142291 592458858 /nfs/dbraw/zinc/45/88/58/592458858.db2.gz DJFHPYNEXYMMHW-UHFFFAOYSA-N 1 2 226.299 1.646 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)C(=O)OC ZINC000301054150 592527692 /nfs/dbraw/zinc/52/76/92/592527692.db2.gz ZUSGNXFSLVRFPW-AEJSXWLSSA-N 1 2 229.345 1.588 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000887933911 592561251 /nfs/dbraw/zinc/56/12/51/592561251.db2.gz KMYNZGNOETZPCW-LBPRGKRZSA-N 1 2 243.310 1.689 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107623 592682672 /nfs/dbraw/zinc/68/26/72/592682672.db2.gz NJVNOYGUBXUFGI-LBPRGKRZSA-N 1 2 221.304 1.639 20 30 BDEDLO Nc1ncccc1C=[NH+]OC/C=C\Cl ZINC000308513705 631409799 /nfs/dbraw/zinc/40/97/99/631409799.db2.gz LULQIINJMJFTMB-XOYCDNFBSA-N 1 2 211.652 1.767 20 30 BDEDLO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]2CO)c1 ZINC000934012631 631591432 /nfs/dbraw/zinc/59/14/32/631591432.db2.gz BUQCNYJFUZRCCL-LBPRGKRZSA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934012631 631591442 /nfs/dbraw/zinc/59/14/42/631591442.db2.gz BUQCNYJFUZRCCL-LBPRGKRZSA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934030449 631631983 /nfs/dbraw/zinc/63/19/83/631631983.db2.gz LKGQOYONCJJSOM-LLVKDONJSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934030449 631631986 /nfs/dbraw/zinc/63/19/86/631631986.db2.gz LKGQOYONCJJSOM-LLVKDONJSA-N 1 2 220.247 1.264 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CCCO1 ZINC000308843470 631689977 /nfs/dbraw/zinc/68/99/77/631689977.db2.gz OEILXFHLIMFJTO-ZJUUUORDSA-N 1 2 222.313 1.414 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000934515024 631897030 /nfs/dbraw/zinc/89/70/30/631897030.db2.gz FORNSSZAXUNEQP-CYBMUJFWSA-N 1 2 229.327 1.817 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000934515024 631897034 /nfs/dbraw/zinc/89/70/34/631897034.db2.gz FORNSSZAXUNEQP-CYBMUJFWSA-N 1 2 229.327 1.817 20 30 BDEDLO C[C@@H]1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)=NO1 ZINC000935135500 632461967 /nfs/dbraw/zinc/46/19/67/632461967.db2.gz GJSKCNSJULWQGJ-SSDOTTSWSA-N 1 2 244.254 1.415 20 30 BDEDLO C=CC[N@@H+](CCC[C@H](C)O)CC(=O)OCC ZINC000309263451 632859443 /nfs/dbraw/zinc/85/94/43/632859443.db2.gz ITGHVTVMOQBACO-NSHDSACASA-N 1 2 229.320 1.199 20 30 BDEDLO C=CC[N@H+](CCC[C@H](C)O)CC(=O)OCC ZINC000309263451 632859445 /nfs/dbraw/zinc/85/94/45/632859445.db2.gz ITGHVTVMOQBACO-NSHDSACASA-N 1 2 229.320 1.199 20 30 BDEDLO COCCCO[NH+]=C(N)c1ccccc1 ZINC000177947295 632909963 /nfs/dbraw/zinc/90/99/63/632909963.db2.gz VMYCGUDTXUOMRF-UHFFFAOYSA-N 1 2 208.261 1.360 20 30 BDEDLO O=C1[C@H]([NH2+]Cc2ccc(Cl)o2)CCCN1O ZINC000895165681 636111773 /nfs/dbraw/zinc/11/17/73/636111773.db2.gz MCMLIUBZCDXODS-MRVPVSSYSA-N 1 2 244.678 1.403 20 30 BDEDLO Cc1cc(CO[NH+]=C(N)Cc2cccnc2)on1 ZINC000178919100 633849721 /nfs/dbraw/zinc/84/97/21/633849721.db2.gz HMQSJTBLHYOCPZ-UHFFFAOYSA-N 1 2 246.270 1.410 20 30 BDEDLO COCCCCO[NH+]=C(N)c1ccccc1 ZINC000179342776 633856209 /nfs/dbraw/zinc/85/62/09/633856209.db2.gz FFNZZLJZBBPPBN-UHFFFAOYSA-N 1 2 222.288 1.750 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)/N=C/c1ccccc1O ZINC000193334482 634277277 /nfs/dbraw/zinc/27/72/77/634277277.db2.gz SBTWZODHVTYHBV-XBUHWIKASA-N 1 2 248.326 1.532 20 30 BDEDLO C[N@H+](CCCC(C)(C)C#N)C1CS(=O)(=O)C1 ZINC000931241060 634286197 /nfs/dbraw/zinc/28/61/97/634286197.db2.gz MYKXTVVUEFLIJM-UHFFFAOYSA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CCCC(C)(C)C#N)C1CS(=O)(=O)C1 ZINC000931241060 634286203 /nfs/dbraw/zinc/28/62/03/634286203.db2.gz MYKXTVVUEFLIJM-UHFFFAOYSA-N 1 2 244.360 1.045 20 30 BDEDLO C#C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897434466 636664930 /nfs/dbraw/zinc/66/49/30/636664930.db2.gz UTAWLDMKWAFLMZ-SECBINFHSA-N 1 2 219.288 1.065 20 30 BDEDLO Nc1ccc(CON=C[C@H]2CCCO2)c[nH+]1 ZINC000902582724 637312179 /nfs/dbraw/zinc/31/21/79/637312179.db2.gz MMCXEEVDVFCKDQ-SNVBAGLBSA-N 1 2 221.260 1.345 20 30 BDEDLO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]CCC#N ZINC000905672581 637885424 /nfs/dbraw/zinc/88/54/24/637885424.db2.gz ZCDGXUBZPFBVHF-VIFPVBQESA-N 1 2 248.286 1.008 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1C[C@H](OCC)C1)C(=O)OC ZINC000905776345 637906916 /nfs/dbraw/zinc/90/69/16/637906916.db2.gz AXWAXSVJVHFWSP-DCAQKATOSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC ZINC000905769749 637925310 /nfs/dbraw/zinc/92/53/10/637925310.db2.gz IVMOPFSMFLZOON-CMPLNLGQSA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)CCOC)C(=O)OC ZINC000905753866 637912668 /nfs/dbraw/zinc/91/26/68/637912668.db2.gz CTJUJXKJZLYJRK-UWVGGRQHSA-N 1 2 215.293 1.119 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000905761227 637917252 /nfs/dbraw/zinc/91/72/52/637917252.db2.gz NEFQGVIFJIYIMZ-GHMZBOCLSA-N 1 2 229.320 1.365 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](C)SC)C(=O)OC ZINC000905764402 637921748 /nfs/dbraw/zinc/92/17/48/637921748.db2.gz XSLBDRDFJVBBRI-IUCAKERBSA-N 1 2 217.334 1.445 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@]1(C)CCCS1)C(=O)OC ZINC000905768267 637922722 /nfs/dbraw/zinc/92/27/22/637922722.db2.gz RMAUXQPPNAWOOB-JQWIXIFHSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@H](C)OC)C(=O)OC ZINC000905770618 637924552 /nfs/dbraw/zinc/92/45/52/637924552.db2.gz OPNGSDRIULHBRT-UWVGGRQHSA-N 1 2 215.293 1.119 20 30 BDEDLO C=CC[C@@H]([NH2+]CC[C@H](C)OC)C(=O)OC ZINC000905770623 637924819 /nfs/dbraw/zinc/92/48/19/637924819.db2.gz OPNGSDRIULHBRT-VHSXEESVSA-N 1 2 215.293 1.119 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C(=O)OC ZINC000905771997 637926868 /nfs/dbraw/zinc/92/68/68/637926868.db2.gz BGSIGFOIDDYZMI-WPRPVWTQSA-N 1 2 233.258 1.739 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CC12CCOCC2)C(=O)OC ZINC000905772259 637927603 /nfs/dbraw/zinc/92/76/03/637927603.db2.gz XSRJDAFZEUFSKF-GHMZBOCLSA-N 1 2 239.315 1.263 20 30 BDEDLO C=CC[C@@H]([NH2+]CC[C@H]1CCCO1)C(=O)OC ZINC000905830181 637949173 /nfs/dbraw/zinc/94/91/73/637949173.db2.gz PGLIQHKUBGRVFC-GHMZBOCLSA-N 1 2 227.304 1.263 20 30 BDEDLO CCN(CC#N)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906400207 638155983 /nfs/dbraw/zinc/15/59/83/638155983.db2.gz IKWFIPNXZYLRAO-UHFFFAOYSA-N 1 2 231.299 1.993 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)CNc1cccc[nH+]1 ZINC000908529511 638997808 /nfs/dbraw/zinc/99/78/08/638997808.db2.gz OIKRWMGVMXZJQA-CYBMUJFWSA-N 1 2 231.299 1.412 20 30 BDEDLO CCN(CC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930619625 639824790 /nfs/dbraw/zinc/82/47/90/639824790.db2.gz RRJGNCURNGOOBT-UHFFFAOYSA-N 1 2 228.255 1.549 20 30 BDEDLO C#CCN(C(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000930624278 639829068 /nfs/dbraw/zinc/82/90/68/639829068.db2.gz AKMBLTYVNQNAHZ-UHFFFAOYSA-N 1 2 245.326 1.996 20 30 BDEDLO C=C(C)[C@H](CO)[NH2+][C@H](C)c1csnn1 ZINC000930725402 639878700 /nfs/dbraw/zinc/87/87/00/639878700.db2.gz CIWIVYWAGJDHMO-SFYZADRCSA-N 1 2 213.306 1.126 20 30 BDEDLO C#CC[N@@H+](C/C=C\C(=O)OCC)C1CSC1 ZINC000930961381 639998321 /nfs/dbraw/zinc/99/83/21/639998321.db2.gz XQSYGBCPYVTPGF-WAYWQWQTSA-N 1 2 239.340 1.156 20 30 BDEDLO C#CC[N@H+](C/C=C\C(=O)OCC)C1CSC1 ZINC000930961381 639998329 /nfs/dbraw/zinc/99/83/29/639998329.db2.gz XQSYGBCPYVTPGF-WAYWQWQTSA-N 1 2 239.340 1.156 20 30 BDEDLO C[C@H]1C[N@H+](C[C@H](O)CC#N)C[C@](C)(C(F)F)O1 ZINC000931080079 640062478 /nfs/dbraw/zinc/06/24/78/640062478.db2.gz PMDPMHRICPVWJA-IQJOONFLSA-N 1 2 248.273 1.005 20 30 BDEDLO C[C@H]1C[N@@H+](C[C@H](O)CC#N)C[C@](C)(C(F)F)O1 ZINC000931080079 640062485 /nfs/dbraw/zinc/06/24/85/640062485.db2.gz PMDPMHRICPVWJA-IQJOONFLSA-N 1 2 248.273 1.005 20 30 BDEDLO CC1(C)C[N@H+](C[C@H](O)CC#N)[C@@H]1c1ccncc1 ZINC000931085277 640063566 /nfs/dbraw/zinc/06/35/66/640063566.db2.gz XJDVCTJDHHDRMC-CHWSQXEVSA-N 1 2 245.326 1.739 20 30 BDEDLO CC1(C)C[N@@H+](C[C@H](O)CC#N)[C@@H]1c1ccncc1 ZINC000931085277 640063571 /nfs/dbraw/zinc/06/35/71/640063571.db2.gz XJDVCTJDHHDRMC-CHWSQXEVSA-N 1 2 245.326 1.739 20 30 BDEDLO C[C@H](CC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931158393 640082447 /nfs/dbraw/zinc/08/24/47/640082447.db2.gz PECVZOIBKQQQKQ-MRVPVSSYSA-N 1 2 228.255 1.595 20 30 BDEDLO N#CCc1cccc2c1CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000931332214 640160249 /nfs/dbraw/zinc/16/02/49/640160249.db2.gz ACVAWWKXSHZXME-UHFFFAOYSA-N 1 2 245.282 1.387 20 30 BDEDLO N#CCc1cccc2c1CC[N@H+](CC[N+](=O)[O-])C2 ZINC000931332214 640160258 /nfs/dbraw/zinc/16/02/58/640160258.db2.gz ACVAWWKXSHZXME-UHFFFAOYSA-N 1 2 245.282 1.387 20 30 BDEDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCC#N)C[C@@H]21 ZINC000932064789 640419271 /nfs/dbraw/zinc/41/92/71/640419271.db2.gz UYCGMWOACGXTPI-OUAUKWLOSA-N 1 2 222.288 1.031 20 30 BDEDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCC#N)C[C@@H]21 ZINC000932064789 640419278 /nfs/dbraw/zinc/41/92/78/640419278.db2.gz UYCGMWOACGXTPI-OUAUKWLOSA-N 1 2 222.288 1.031 20 30 BDEDLO C#CC[N@H+](Cc1cc2n(n1)CCC2)C(C)C ZINC000932383153 640510156 /nfs/dbraw/zinc/51/01/56/640510156.db2.gz GGZIAWUIVNLGLJ-UHFFFAOYSA-N 1 2 217.316 1.673 20 30 BDEDLO C#CC[N@@H+](Cc1cc2n(n1)CCC2)C(C)C ZINC000932383153 640510158 /nfs/dbraw/zinc/51/01/58/640510158.db2.gz GGZIAWUIVNLGLJ-UHFFFAOYSA-N 1 2 217.316 1.673 20 30 BDEDLO C#CC[N@@H+](Cc1nccn1C)C(C)(C)C ZINC000932462446 640535747 /nfs/dbraw/zinc/53/57/47/640535747.db2.gz ZKDFQRNSOCICGR-UHFFFAOYSA-N 1 2 205.305 1.654 20 30 BDEDLO C#CC[N@H+](Cc1nccn1C)C(C)(C)C ZINC000932462446 640535750 /nfs/dbraw/zinc/53/57/50/640535750.db2.gz ZKDFQRNSOCICGR-UHFFFAOYSA-N 1 2 205.305 1.654 20 30 BDEDLO C#CC[N@@H+](CC(=O)OCC(C)C)C(C)(C)C ZINC000932464235 640539164 /nfs/dbraw/zinc/53/91/64/640539164.db2.gz VZQJTGUMDIHSTC-UHFFFAOYSA-N 1 2 225.332 1.919 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001030066354 640569283 /nfs/dbraw/zinc/56/92/83/640569283.db2.gz IWPGHPLVTIIJMH-UHFFFAOYSA-N 1 2 222.332 1.553 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001030092188 640587435 /nfs/dbraw/zinc/58/74/35/640587435.db2.gz KVGKILNVGANXRV-LLVKDONJSA-N 1 2 220.316 1.329 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001030095770 640590936 /nfs/dbraw/zinc/59/09/36/640590936.db2.gz MBTUKLBWRWFZDM-LBPRGKRZSA-N 1 2 234.343 1.719 20 30 BDEDLO CCn1c[nH+]c2c1CCN(CCC#N)C2 ZINC000933262428 640692124 /nfs/dbraw/zinc/69/21/24/640692124.db2.gz GZMDUPYZWZSJSZ-UHFFFAOYSA-N 1 2 204.277 1.175 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C2CCC2)C1 ZINC001030506389 640889082 /nfs/dbraw/zinc/88/90/82/640889082.db2.gz JOJOQJLRFOIYGH-NSHDSACASA-N 1 2 236.359 1.799 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C23CCC(CC2)C3)C1 ZINC001030536366 640902895 /nfs/dbraw/zinc/90/28/95/640902895.db2.gz NBKROKSEQWTMOI-UHFFFAOYSA-N 1 2 246.354 1.390 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccccc2)C1 ZINC001030539821 640904555 /nfs/dbraw/zinc/90/45/55/640904555.db2.gz YYVACSZECVEHTD-UHFFFAOYSA-N 1 2 230.311 1.216 20 30 BDEDLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccncc1C#N ZINC000934107752 641070755 /nfs/dbraw/zinc/07/07/55/641070755.db2.gz MIFILXWYEPUXHQ-STQMWFEESA-N 1 2 231.299 1.562 20 30 BDEDLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ccncc1C#N ZINC000934107752 641070763 /nfs/dbraw/zinc/07/07/63/641070763.db2.gz MIFILXWYEPUXHQ-STQMWFEESA-N 1 2 231.299 1.562 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001038205965 711499818 /nfs/dbraw/zinc/49/98/18/711499818.db2.gz GIKZGVWRBVXDKS-LBPRGKRZSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001038205965 711499819 /nfs/dbraw/zinc/49/98/19/711499819.db2.gz GIKZGVWRBVXDKS-LBPRGKRZSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001030703022 641306222 /nfs/dbraw/zinc/30/62/22/641306222.db2.gz VOHNMLSFBPHNIQ-JSGCOSHPSA-N 1 2 246.354 1.246 20 30 BDEDLO CC[N@@H+](C/C(C)=C\C(=O)OC)C[C@H](C)C#N ZINC000929430245 641314534 /nfs/dbraw/zinc/31/45/34/641314534.db2.gz YUUHBBYMBXQJDM-SDKXAQGSSA-N 1 2 224.304 1.587 20 30 BDEDLO CC[N@H+](C/C(C)=C\C(=O)OC)C[C@H](C)C#N ZINC000929430245 641314540 /nfs/dbraw/zinc/31/45/40/641314540.db2.gz YUUHBBYMBXQJDM-SDKXAQGSSA-N 1 2 224.304 1.587 20 30 BDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N=C1C[C@H](C)ON1 ZINC000935136309 641346804 /nfs/dbraw/zinc/34/68/04/641346804.db2.gz AJVIPQCQPCQOHV-VHSXEESVSA-N 1 2 239.319 1.098 20 30 BDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)N=C1C[C@H](C)ON1 ZINC000935136309 641346808 /nfs/dbraw/zinc/34/68/08/641346808.db2.gz AJVIPQCQPCQOHV-VHSXEESVSA-N 1 2 239.319 1.098 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001030903020 641412833 /nfs/dbraw/zinc/41/28/33/641412833.db2.gz VRDPYNAOJMCZOD-UWVGGRQHSA-N 1 2 208.305 1.019 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2ocnc2CC)C1 ZINC001030928734 641427806 /nfs/dbraw/zinc/42/78/06/641427806.db2.gz FIQDXSKZRZUYAF-UHFFFAOYSA-N 1 2 249.314 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228.311 1.311 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C)cc2)C1 ZINC001031301385 641875542 /nfs/dbraw/zinc/87/55/42/641875542.db2.gz UPKKSERAIUBJMO-UHFFFAOYSA-N 1 2 244.338 1.985 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC000950035272 641883922 /nfs/dbraw/zinc/88/39/22/641883922.db2.gz VUDXCUIXONQREI-CQSZACIVSA-N 1 2 236.359 1.919 20 30 BDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001031520049 642257680 /nfs/dbraw/zinc/25/76/80/642257680.db2.gz OKOMUVBFCHKLCA-KWQFWETISA-N 1 2 242.750 1.443 20 30 BDEDLO CC#CCCO[NH+]=C(N)Cc1ccccc1 ZINC000154860083 642287841 /nfs/dbraw/zinc/28/78/41/642287841.db2.gz ULTPOBOIXFUTNJ-UHFFFAOYSA-N 1 2 216.284 1.931 20 30 BDEDLO C=CC[N@@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000154961643 642334693 /nfs/dbraw/zinc/33/46/93/642334693.db2.gz HHYKXGWDXMDOFG-UHFFFAOYSA-N 1 2 219.210 1.977 20 30 BDEDLO C=CC[N@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000154961643 642334699 /nfs/dbraw/zinc/33/46/99/642334699.db2.gz HHYKXGWDXMDOFG-UHFFFAOYSA-N 1 2 219.210 1.977 20 30 BDEDLO C#CCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000920418038 642491603 /nfs/dbraw/zinc/49/16/03/642491603.db2.gz UFUWOTUFUJLWFN-UHFFFAOYSA-N 1 2 241.294 1.791 20 30 BDEDLO C#CCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000920418038 642491616 /nfs/dbraw/zinc/49/16/16/642491616.db2.gz UFUWOTUFUJLWFN-UHFFFAOYSA-N 1 2 241.294 1.791 20 30 BDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocn1 ZINC001017401396 642973091 /nfs/dbraw/zinc/97/30/91/642973091.db2.gz JFCFEMRMQRKPLN-PHIMTYICSA-N 1 2 247.298 1.149 20 30 BDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocn1 ZINC001017401396 642973093 /nfs/dbraw/zinc/97/30/93/642973093.db2.gz JFCFEMRMQRKPLN-PHIMTYICSA-N 1 2 247.298 1.149 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001017865805 642982849 /nfs/dbraw/zinc/98/28/49/642982849.db2.gz QBLODSUQGBQCHY-BETUJISGSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001017865805 642982855 /nfs/dbraw/zinc/98/28/55/642982855.db2.gz QBLODSUQGBQCHY-BETUJISGSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CCOc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000733328055 643328082 /nfs/dbraw/zinc/32/80/82/643328082.db2.gz LKKRCLHHZNYBHV-UHFFFAOYSA-N 1 2 242.278 1.976 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)F ZINC001032243294 643395772 /nfs/dbraw/zinc/39/57/72/643395772.db2.gz VGLWVOYNGIUMHA-UWVGGRQHSA-N 1 2 226.295 1.206 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)F ZINC001032243294 643395777 /nfs/dbraw/zinc/39/57/77/643395777.db2.gz VGLWVOYNGIUMHA-UWVGGRQHSA-N 1 2 226.295 1.206 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)on1 ZINC001032267929 643418095 /nfs/dbraw/zinc/41/80/95/643418095.db2.gz ILYRILHMMQHECN-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)on1 ZINC001032267929 643418101 /nfs/dbraw/zinc/41/81/01/643418101.db2.gz ILYRILHMMQHECN-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CC1 ZINC001032337317 643526959 /nfs/dbraw/zinc/52/69/59/643526959.db2.gz WWDDXDWQBOOKNG-XBFCOCLRSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CC1 ZINC001032337317 643526964 /nfs/dbraw/zinc/52/69/64/643526964.db2.gz WWDDXDWQBOOKNG-XBFCOCLRSA-N 1 2 246.354 1.341 20 30 BDEDLO N#CC1(C(=O)OCc2ccc[nH+]c2N)CCC1 ZINC000922469650 643996896 /nfs/dbraw/zinc/99/68/96/643996896.db2.gz GZBUZUBUNMNKJB-UHFFFAOYSA-N 1 2 231.255 1.401 20 30 BDEDLO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000079848993 644214952 /nfs/dbraw/zinc/21/49/52/644214952.db2.gz WIWQTGHPTRPBFD-NEPJUHHUSA-N 1 2 226.320 1.008 20 30 BDEDLO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000079848993 644214966 /nfs/dbraw/zinc/21/49/66/644214966.db2.gz WIWQTGHPTRPBFD-NEPJUHHUSA-N 1 2 226.320 1.008 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC000951792146 644284114 /nfs/dbraw/zinc/28/41/14/644284114.db2.gz YFZKXOMPKRNRCO-DGCLKSJQSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(C)c2)CC1 ZINC000952347589 644374649 /nfs/dbraw/zinc/37/46/49/644374649.db2.gz YODWRFDCNUXKFU-UHFFFAOYSA-N 1 2 245.326 1.334 20 30 BDEDLO N#CC1CC[NH+](CN2CCSC2=S)CC1 ZINC000195300758 644375349 /nfs/dbraw/zinc/37/53/49/644375349.db2.gz CBKKLPCAZCEXFD-UHFFFAOYSA-N 1 2 241.385 1.513 20 30 BDEDLO C#CCOc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000747621877 644585432 /nfs/dbraw/zinc/58/54/32/644585432.db2.gz DVRXWXKWJVGJDU-UHFFFAOYSA-N 1 2 242.278 1.976 20 30 BDEDLO C[C@@]1(C#N)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832066896 645132347 /nfs/dbraw/zinc/13/23/47/645132347.db2.gz XZJOZBAYHXUVHD-LBPRGKRZSA-N 1 2 232.287 1.104 20 30 BDEDLO C#CCCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845450565 645363945 /nfs/dbraw/zinc/36/39/45/645363945.db2.gz XNIMLWOLTMOKRM-UHFFFAOYSA-N 1 2 246.310 1.719 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC000847017848 645415464 /nfs/dbraw/zinc/41/54/64/645415464.db2.gz FGEPIBJXIODLSH-LLVKDONJSA-N 1 2 218.304 1.143 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC000847017848 645415467 /nfs/dbraw/zinc/41/54/67/645415467.db2.gz FGEPIBJXIODLSH-LLVKDONJSA-N 1 2 218.304 1.143 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000847017962 645417341 /nfs/dbraw/zinc/41/73/41/645417341.db2.gz GFNJVMGRYNQACB-LBPRGKRZSA-N 1 2 232.331 1.704 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000847017962 645417348 /nfs/dbraw/zinc/41/73/48/645417348.db2.gz GFNJVMGRYNQACB-LBPRGKRZSA-N 1 2 232.331 1.704 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000862579374 645701614 /nfs/dbraw/zinc/70/16/14/645701614.db2.gz VZMCWYIGLKZENX-VXGBXAGGSA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000862579374 645701617 /nfs/dbraw/zinc/70/16/17/645701617.db2.gz VZMCWYIGLKZENX-VXGBXAGGSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000878705026 645823635 /nfs/dbraw/zinc/82/36/35/645823635.db2.gz NATWSNPDRIPTNF-RYUDHWBXSA-N 1 2 223.316 1.136 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000878705026 645823637 /nfs/dbraw/zinc/82/36/37/645823637.db2.gz NATWSNPDRIPTNF-RYUDHWBXSA-N 1 2 223.316 1.136 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2ncc(CC)o2)CC1 ZINC000880480078 645833137 /nfs/dbraw/zinc/83/31/37/645833137.db2.gz ISEDJRJEWRQKME-UHFFFAOYSA-N 1 2 248.326 1.587 20 30 BDEDLO C=C(C)CC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886944131 645892338 /nfs/dbraw/zinc/89/23/38/645892338.db2.gz LKXOYEUSWCGNNF-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)[C@@H]1CCCO1 ZINC000926208876 646596021 /nfs/dbraw/zinc/59/60/21/646596021.db2.gz BIEFKDNEKIWVSE-YFKTTZPYSA-N 1 2 246.314 1.054 20 30 BDEDLO C#CC[C@@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC000895191314 711779884 /nfs/dbraw/zinc/77/98/84/711779884.db2.gz NGORNGCVHCKBGC-SNVBAGLBSA-N 1 2 216.288 1.368 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC ZINC001032595631 711928133 /nfs/dbraw/zinc/92/81/33/711928133.db2.gz ARHXHRVCIPGGPZ-RYUDHWBXSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC ZINC001032595631 711928135 /nfs/dbraw/zinc/92/81/35/711928135.db2.gz ARHXHRVCIPGGPZ-RYUDHWBXSA-N 1 2 234.343 1.341 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000701808673 712029253 /nfs/dbraw/zinc/02/92/53/712029253.db2.gz DIRATMXZFBJXSP-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000701808673 712029255 /nfs/dbraw/zinc/02/92/55/712029255.db2.gz DIRATMXZFBJXSP-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703212489 712068638 /nfs/dbraw/zinc/06/86/38/712068638.db2.gz FYTJPSOLSDTHNB-ZETCQYMHSA-N 1 2 211.211 1.782 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708388863 712191557 /nfs/dbraw/zinc/19/15/57/712191557.db2.gz ISHVAKFFKNZOME-SSDOTTSWSA-N 1 2 226.226 1.920 20 30 BDEDLO Cc1[nH+]cc(C=NNC23CC(C2)C3)n1C ZINC000853366392 712613368 /nfs/dbraw/zinc/61/33/68/712613368.db2.gz LNMSJGAXPZLXFF-UHFFFAOYSA-N 1 2 204.277 1.205 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cccs1 ZINC001038033160 712900003 /nfs/dbraw/zinc/90/00/03/712900003.db2.gz QXFQPPJJTYIXDN-JTQLQIEISA-N 1 2 236.340 1.738 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cccs1 ZINC001038033160 712900004 /nfs/dbraw/zinc/90/00/04/712900004.db2.gz QXFQPPJJTYIXDN-JTQLQIEISA-N 1 2 236.340 1.738 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccs1 ZINC001038033161 712900022 /nfs/dbraw/zinc/90/00/22/712900022.db2.gz QXFQPPJJTYIXDN-SNVBAGLBSA-N 1 2 236.340 1.738 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cccs1 ZINC001038033161 712900023 /nfs/dbraw/zinc/90/00/23/712900023.db2.gz QXFQPPJJTYIXDN-SNVBAGLBSA-N 1 2 236.340 1.738 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001042509592 710789880 /nfs/dbraw/zinc/78/98/80/710789880.db2.gz ZPMZABVJJHGDBW-UHFFFAOYSA-N 1 2 248.330 1.050 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001043014388 710802399 /nfs/dbraw/zinc/80/23/99/710802399.db2.gz SOVPVXPFIVSQPD-UHFFFAOYSA-N 1 2 248.370 1.895 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@H]2C)C1 ZINC001043737583 710812904 /nfs/dbraw/zinc/81/29/04/710812904.db2.gz LAIQPSRIOOUMAO-MNOVXSKESA-N 1 2 222.332 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC001044003241 710816587 /nfs/dbraw/zinc/81/65/87/710816587.db2.gz RXWSQSUMDRAGAR-VXGBXAGGSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001044112811 710820319 /nfs/dbraw/zinc/82/03/19/710820319.db2.gz TYXCXOOELXGIJZ-STQMWFEESA-N 1 2 236.359 1.607 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044216095 710821363 /nfs/dbraw/zinc/82/13/63/710821363.db2.gz PHEBVCAEPZPNLI-UHFFFAOYSA-N 1 2 224.348 1.751 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038788799 710705483 /nfs/dbraw/zinc/70/54/83/710705483.db2.gz BTCQFUSXALLHLL-MELADBBJSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038788799 710705486 /nfs/dbraw/zinc/70/54/86/710705486.db2.gz BTCQFUSXALLHLL-MELADBBJSA-N 1 2 246.354 1.246 20 30 BDEDLO C[C@@H]1[N@H+](Cc2cncc(C#N)c2)CCOC1(C)C ZINC000721544188 711620962 /nfs/dbraw/zinc/62/09/62/711620962.db2.gz KVEDSMAMWXCWQX-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1[N@@H+](Cc2cncc(C#N)c2)CCOC1(C)C ZINC000721544188 711620964 /nfs/dbraw/zinc/62/09/64/711620964.db2.gz KVEDSMAMWXCWQX-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2[nH]ccc2C)C1 ZINC000949991156 711720101 /nfs/dbraw/zinc/72/01/01/711720101.db2.gz PHPIMDFFFZNNEZ-UHFFFAOYSA-N 1 2 247.342 1.655 20 30 BDEDLO C[Si](C)(C)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000306172826 711773202 /nfs/dbraw/zinc/77/32/02/711773202.db2.gz KVTCCSJBLKDGJO-SECBINFHSA-N 1 2 200.333 1.801 20 30 BDEDLO C[Si](C)(C)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000306172826 711773203 /nfs/dbraw/zinc/77/32/03/711773203.db2.gz KVTCCSJBLKDGJO-SECBINFHSA-N 1 2 200.333 1.801 20 30 BDEDLO C#CC[C@@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC000895191314 711779883 /nfs/dbraw/zinc/77/98/83/711779883.db2.gz NGORNGCVHCKBGC-SNVBAGLBSA-N 1 2 216.288 1.368 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038135642 711881323 /nfs/dbraw/zinc/88/13/23/711881323.db2.gz IYKFXJALTVTAAK-IGQOVBAYSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038135642 711881325 /nfs/dbraw/zinc/88/13/25/711881325.db2.gz IYKFXJALTVTAAK-IGQOVBAYSA-N 1 2 246.354 1.246 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC001032360543 711913903 /nfs/dbraw/zinc/91/39/03/711913903.db2.gz MONCFBAKCIPJDN-RWMBFGLXSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC001032360543 711913905 /nfs/dbraw/zinc/91/39/05/711913905.db2.gz MONCFBAKCIPJDN-RWMBFGLXSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)C ZINC001032558340 711925385 /nfs/dbraw/zinc/92/53/85/711925385.db2.gz QXOCOLYRYVFRTJ-STQMWFEESA-N 1 2 246.354 1.507 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)C ZINC001032558340 711925388 /nfs/dbraw/zinc/92/53/88/711925388.db2.gz QXOCOLYRYVFRTJ-STQMWFEESA-N 1 2 246.354 1.507 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cocc1C ZINC001032570722 711925814 /nfs/dbraw/zinc/92/58/14/711925814.db2.gz GZGWLQWGZUTQCT-RYUDHWBXSA-N 1 2 244.294 1.120 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cocc1C ZINC001032570722 711925817 /nfs/dbraw/zinc/92/58/17/711925817.db2.gz GZGWLQWGZUTQCT-RYUDHWBXSA-N 1 2 244.294 1.120 20 30 BDEDLO N#CC1CC[NH+](Cc2ccns2)CC1 ZINC000606278500 712350530 /nfs/dbraw/zinc/35/05/30/712350530.db2.gz QMZWRQFCYUQDEM-UHFFFAOYSA-N 1 2 207.302 1.879 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc[nH+]c(C)n1 ZINC000716373556 712557459 /nfs/dbraw/zinc/55/74/59/712557459.db2.gz BHIVPFYWTIOYMS-JTQLQIEISA-N 1 2 205.261 1.235 20 30 BDEDLO C#CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000843706411 712605403 /nfs/dbraw/zinc/60/54/03/712605403.db2.gz UNBNPCZRIPAEAQ-UHFFFAOYSA-N 1 2 245.326 1.535 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000847026953 712608306 /nfs/dbraw/zinc/60/83/06/712608306.db2.gz INRKRGJBPWFWHH-LLVKDONJSA-N 1 2 247.298 1.267 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000847026953 712608307 /nfs/dbraw/zinc/60/83/07/712608307.db2.gz INRKRGJBPWFWHH-LLVKDONJSA-N 1 2 247.298 1.267 20 30 BDEDLO CCOC(=O)/C=C/C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000931474346 712714134 /nfs/dbraw/zinc/71/41/34/712714134.db2.gz FDCZDPAECYOJOL-ZOUVEMKTSA-N 1 2 236.315 1.730 20 30 BDEDLO CCOC(=O)/C=C/C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000931474346 712714135 /nfs/dbraw/zinc/71/41/35/712714135.db2.gz FDCZDPAECYOJOL-ZOUVEMKTSA-N 1 2 236.315 1.730 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCCN2CCCC2=O)C1 ZINC000932159330 712716579 /nfs/dbraw/zinc/71/65/79/712716579.db2.gz YIAIAAWFRQGDBG-GFCCVEGCSA-N 1 2 235.331 1.234 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCCN2CCCC2=O)C1 ZINC000932159330 712716581 /nfs/dbraw/zinc/71/65/81/712716581.db2.gz YIAIAAWFRQGDBG-GFCCVEGCSA-N 1 2 235.331 1.234 20 30 BDEDLO Oc1ccccc1/C=N/CC[NH+]1CCOCC1 ZINC000038189168 712825930 /nfs/dbraw/zinc/82/59/30/712825930.db2.gz RQCBAKUGXGHOGZ-SDNWHVSQSA-N 1 2 234.299 1.143 20 30 BDEDLO C[C@@H](C#N)N(C)Cc1ccn2cc[nH+]c2c1 ZINC001141049206 960841121 /nfs/dbraw/zinc/84/11/21/960841121.db2.gz BAOVFINOSFTSRZ-JTQLQIEISA-N 1 2 214.272 1.678 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H]1C ZINC001088439678 963778569 /nfs/dbraw/zinc/77/85/69/963778569.db2.gz PXBIXKFHXVMVCT-KOLCDFICSA-N 1 2 242.750 1.728 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H]1C ZINC001088439678 963778575 /nfs/dbraw/zinc/77/85/75/963778575.db2.gz PXBIXKFHXVMVCT-KOLCDFICSA-N 1 2 242.750 1.728 20 30 BDEDLO C=CC[NH+]1CCN(Cc2nccs2)CC1 ZINC001204546183 967052016 /nfs/dbraw/zinc/05/20/16/967052016.db2.gz APONHEBJZWFINT-UHFFFAOYSA-N 1 2 223.345 1.447 20 30 BDEDLO C=C[C@@](C)(O)CNc1[nH+]cccc1OCC ZINC001252543029 968778575 /nfs/dbraw/zinc/77/85/75/968778575.db2.gz LAMKALWPFDGFMJ-GFCCVEGCSA-N 1 2 222.288 1.829 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC001252572267 968822820 /nfs/dbraw/zinc/82/28/20/968822820.db2.gz OXTIPSDISCHWMV-GFCCVEGCSA-N 1 2 241.331 1.389 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252617164 968874431 /nfs/dbraw/zinc/87/44/31/968874431.db2.gz ZOQFLFSKYKJRHO-NEPJUHHUSA-N 1 2 243.347 1.491 20 30 BDEDLO C=C[C@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001253571607 969243630 /nfs/dbraw/zinc/24/36/30/969243630.db2.gz HZFSXRQNCNYWFR-NSHDSACASA-N 1 2 238.287 1.066 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC2(CC1)OCCO2 ZINC001255620819 970402077 /nfs/dbraw/zinc/40/20/77/970402077.db2.gz WAEOJMCXPRXDQX-LBPRGKRZSA-N 1 2 236.315 1.660 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1C1CCC2(CC1)OCCO2 ZINC001255620819 970402081 /nfs/dbraw/zinc/40/20/81/970402081.db2.gz WAEOJMCXPRXDQX-LBPRGKRZSA-N 1 2 236.315 1.660 20 30 BDEDLO Cc1[nH]c(CN2CCC[C@@H](C#N)C2)c[nH+]1 ZINC001232464188 978107922 /nfs/dbraw/zinc/10/79/22/978107922.db2.gz UTWOHJCCGLJZBU-JTQLQIEISA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1[nH]cc(CN2CCC[C@@H](C#N)C2)[nH+]1 ZINC001232464188 978107924 /nfs/dbraw/zinc/10/79/24/978107924.db2.gz UTWOHJCCGLJZBU-JTQLQIEISA-N 1 2 204.277 1.454 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc(N)n2)C1 ZINC001233369086 978585225 /nfs/dbraw/zinc/58/52/25/978585225.db2.gz ZRDHJNPSAKGXNH-UHFFFAOYSA-N 1 2 202.261 1.009 20 30 BDEDLO N#CCC1CN(Cc2cccc(N)[nH+]2)C1 ZINC001233369086 978585229 /nfs/dbraw/zinc/58/52/29/978585229.db2.gz ZRDHJNPSAKGXNH-UHFFFAOYSA-N 1 2 202.261 1.009 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@]2(F)Cl)CC1 ZINC001181658323 979228920 /nfs/dbraw/zinc/22/89/20/979228920.db2.gz FDYLFXLQZVTXLL-MWLCHTKSSA-N 1 2 246.713 1.241 20 30 BDEDLO CCc1n[nH]cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001237656883 980025650 /nfs/dbraw/zinc/02/56/50/980025650.db2.gz WCHKFUGPIQBVFG-LBPRGKRZSA-N 1 2 218.304 1.708 20 30 BDEDLO CCc1n[nH]cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001237656883 980025665 /nfs/dbraw/zinc/02/56/65/980025665.db2.gz WCHKFUGPIQBVFG-LBPRGKRZSA-N 1 2 218.304 1.708 20 30 BDEDLO CC[C@H](CC#N)NC(=O)CCc1[nH+]ccn1C ZINC001347149961 980992346 /nfs/dbraw/zinc/99/23/46/980992346.db2.gz WZGGWHXRGVRPLR-SNVBAGLBSA-N 1 2 234.303 1.161 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCOC(C)C)C(=O)OC ZINC001172443531 974804475 /nfs/dbraw/zinc/80/44/75/974804475.db2.gz QPDMRWIOJAYVGX-RYUDHWBXSA-N 1 2 241.331 1.345 20 30 BDEDLO N#Cc1ccc(N2CC[NH+](CCF)CC2)cc1 ZINC000402667000 970827121 /nfs/dbraw/zinc/82/71/21/970827121.db2.gz RAKFIYBCRRVYJG-UHFFFAOYSA-N 1 2 233.290 1.650 20 30 BDEDLO CCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001257246398 971141229 /nfs/dbraw/zinc/14/12/29/971141229.db2.gz IQFLUKNETDXVNC-IUCAKERBSA-N 1 2 219.350 1.626 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCCCC1 ZINC001257450175 971371468 /nfs/dbraw/zinc/37/14/68/971371468.db2.gz VXOLQJXXNLOOGR-JTQLQIEISA-N 1 2 231.361 1.770 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]cc(OC)cc1C ZINC001158814338 971470511 /nfs/dbraw/zinc/47/05/11/971470511.db2.gz DSUGWJGHIKMKAI-VIFPVBQESA-N 1 2 208.261 1.357 20 30 BDEDLO CC#Cc1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258057732 971581633 /nfs/dbraw/zinc/58/16/33/971581633.db2.gz JHXZRYDKERMNQX-QWRGUYRKSA-N 1 2 249.314 1.093 20 30 BDEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC001143716181 972352738 /nfs/dbraw/zinc/35/27/38/972352738.db2.gz GAVNOBXGWCMYDW-SNVBAGLBSA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC001143716181 972352743 /nfs/dbraw/zinc/35/27/43/972352743.db2.gz GAVNOBXGWCMYDW-SNVBAGLBSA-N 1 2 236.702 1.778 20 30 BDEDLO C#C[C@H]1CCC[C@H]1OCCn1cc[nH+]c1 ZINC001222139187 972387446 /nfs/dbraw/zinc/38/74/46/972387446.db2.gz QBPVEAFHWWAFQI-NWDGAFQWSA-N 1 2 204.273 1.702 20 30 BDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC ZINC001267234190 959253560 /nfs/dbraw/zinc/25/35/60/959253560.db2.gz HRIUXIGQZOWZGM-UHFFFAOYSA-N 1 2 218.728 1.587 20 30 BDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC ZINC001267234190 959253566 /nfs/dbraw/zinc/25/35/66/959253566.db2.gz HRIUXIGQZOWZGM-UHFFFAOYSA-N 1 2 218.728 1.587 20 30 BDEDLO O=C(CCS)Nc1cc[nH+]c2c1CCC2 ZINC001143979971 972455827 /nfs/dbraw/zinc/45/58/27/972455827.db2.gz VZFBHXZPZKHKFW-UHFFFAOYSA-N 1 2 222.313 1.251 20 30 BDEDLO CC(C)(CNc1ccnc(C#N)c1)n1cc[nH+]c1 ZINC000692592953 960324317 /nfs/dbraw/zinc/32/43/17/960324317.db2.gz JUYPAAXILQOUSV-UHFFFAOYSA-N 1 2 241.298 1.419 20 30 BDEDLO N#Cc1ccc(Cl)c(C[NH+]2CC(CO)C2)c1 ZINC001140601231 960452909 /nfs/dbraw/zinc/45/29/09/960452909.db2.gz JQNGBTHOIFGPAU-UHFFFAOYSA-N 1 2 236.702 1.636 20 30 BDEDLO COc1nccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC001140692941 960495918 /nfs/dbraw/zinc/49/59/18/960495918.db2.gz ZPPRBYGDFINNCM-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](C#N)C2)c1C ZINC001140862335 960640615 /nfs/dbraw/zinc/64/06/15/960640615.db2.gz ATGQIYHYAGWBBC-NSHDSACASA-N 1 2 203.289 1.977 20 30 BDEDLO Cc1c[nH]c(C[N@H+]2CC[C@@H](C#N)C2)c1C ZINC001140862335 960640629 /nfs/dbraw/zinc/64/06/29/960640629.db2.gz ATGQIYHYAGWBBC-NSHDSACASA-N 1 2 203.289 1.977 20 30 BDEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001481376717 960823266 /nfs/dbraw/zinc/82/32/66/960823266.db2.gz PCXHERBISBKTII-TXEJJXNPSA-N 1 2 240.322 1.597 20 30 BDEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001481376717 960823269 /nfs/dbraw/zinc/82/32/69/960823269.db2.gz PCXHERBISBKTII-TXEJJXNPSA-N 1 2 240.322 1.597 20 30 BDEDLO C=CCN1CC[NH+](Cc2cnccc2C)CC1 ZINC001141035585 960826386 /nfs/dbraw/zinc/82/63/86/960826386.db2.gz KBHTXLRDRNZIIU-UHFFFAOYSA-N 1 2 231.343 1.694 20 30 BDEDLO N#C[C@H]1CN(Cc2ccn3cc[nH+]c3c2)CCO1 ZINC001141046587 960835557 /nfs/dbraw/zinc/83/55/57/960835557.db2.gz GXZQAOBAQNGGJK-LBPRGKRZSA-N 1 2 242.282 1.059 20 30 BDEDLO CCCCc1[nH]c(CN2CCOC[C@H]2C#N)c[nH+]1 ZINC001141071475 960860910 /nfs/dbraw/zinc/86/09/10/960860910.db2.gz QISVTZMHWZCABN-GFCCVEGCSA-N 1 2 248.330 1.477 20 30 BDEDLO CCCCc1[nH]cc(CN2CCOC[C@H]2C#N)[nH+]1 ZINC001141071475 960860923 /nfs/dbraw/zinc/86/09/23/960860923.db2.gz QISVTZMHWZCABN-GFCCVEGCSA-N 1 2 248.330 1.477 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H](C)C2CC2)C1 ZINC001268492586 961874518 /nfs/dbraw/zinc/87/45/18/961874518.db2.gz YWIIIRNJKQFBBM-SNVBAGLBSA-N 1 2 222.332 1.409 20 30 BDEDLO N#CCc1cc[nH+]c(NC[C@H]2CCNC(=O)C2)c1 ZINC001154935365 962911635 /nfs/dbraw/zinc/91/16/35/962911635.db2.gz YVNIYWFOJPWHQC-NSHDSACASA-N 1 2 244.298 1.086 20 30 BDEDLO CC(C)Oc1cccc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156319786 963309513 /nfs/dbraw/zinc/30/95/13/963309513.db2.gz FOHJKBPQVKTVRB-NSHDSACASA-N 1 2 246.314 1.171 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2occc2n1 ZINC001156320314 963310329 /nfs/dbraw/zinc/31/03/29/963310329.db2.gz WSYHGEMVPHZPRM-VIFPVBQESA-N 1 2 228.255 1.130 20 30 BDEDLO CC(C)(C)c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156333018 963315066 /nfs/dbraw/zinc/31/50/66/963315066.db2.gz STRRFKHGVLOPNM-LBPRGKRZSA-N 1 2 244.342 1.681 20 30 BDEDLO C[C@@H](C#N)N(C)C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156970413 963502136 /nfs/dbraw/zinc/50/21/36/963502136.db2.gz CVWMLVSTCKCECX-ZETCQYMHSA-N 1 2 243.270 1.129 20 30 BDEDLO C=C(C)C(=O)OCCNc1ccn2cc[nH+]c2c1 ZINC001168072377 963603425 /nfs/dbraw/zinc/60/34/25/963603425.db2.gz ZYDHIWGTIPRKLF-UHFFFAOYSA-N 1 2 245.282 1.866 20 30 BDEDLO N#CCc1cc[nH+]c(NC2CSC2)c1 ZINC001157576926 963670085 /nfs/dbraw/zinc/67/00/85/963670085.db2.gz VJTGTJUKFMGPQI-UHFFFAOYSA-N 1 2 205.286 1.675 20 30 BDEDLO CO[C@@H]1COCC[C@H]1Nc1[nH+]cccc1CC#N ZINC001168189123 963949807 /nfs/dbraw/zinc/94/98/07/963949807.db2.gz LJOVDJUPYYLISJ-VXGBXAGGSA-N 1 2 247.298 1.363 20 30 BDEDLO CN(CC(F)F)c1cc(CC#N)cc[nH+]1 ZINC001158926826 963957631 /nfs/dbraw/zinc/95/76/31/963957631.db2.gz PJMHWNPEKKBONZ-UHFFFAOYSA-N 1 2 211.215 1.849 20 30 BDEDLO CC[NH+]1CC(O[C@H](C#N)c2ccccc2)C1 ZINC001223712294 964169969 /nfs/dbraw/zinc/16/99/69/964169969.db2.gz DDCJUWPZJXVBDK-CYBMUJFWSA-N 1 2 216.284 1.972 20 30 BDEDLO C=C(C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001142511813 964348463 /nfs/dbraw/zinc/34/84/63/964348463.db2.gz DAOODIXNMXBTDZ-UHFFFAOYSA-N 1 2 219.288 1.692 20 30 BDEDLO C=C(C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001142511813 964348470 /nfs/dbraw/zinc/34/84/70/964348470.db2.gz DAOODIXNMXBTDZ-UHFFFAOYSA-N 1 2 219.288 1.692 20 30 BDEDLO N#Cc1cnccc1Nc1cccc2[nH+]ccn21 ZINC001214002539 964920149 /nfs/dbraw/zinc/92/01/49/964920149.db2.gz UCCNMTVZGIJGPS-UHFFFAOYSA-N 1 2 235.250 1.766 20 30 BDEDLO CC(C)(C)C(=[NH2+])Nc1cncnc1C#N ZINC001162660310 965093853 /nfs/dbraw/zinc/09/38/53/965093853.db2.gz HFRNRTPJQYNILC-UHFFFAOYSA-N 1 2 203.249 1.784 20 30 BDEDLO C#C[C@H](C)Nc1nc(C)[nH+]c2c1CCC2 ZINC001163160797 965273056 /nfs/dbraw/zinc/27/30/56/965273056.db2.gz CXHPOTHEALAPHT-QMMMGPOBSA-N 1 2 201.273 1.707 20 30 BDEDLO C=C(C)CNc1ccn2cc(N)[nH+]c2c1 ZINC001163378470 965382997 /nfs/dbraw/zinc/38/29/97/965382997.db2.gz IPCSXJCTTWZETL-UHFFFAOYSA-N 1 2 202.261 1.905 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)CCC ZINC001483676021 965424644 /nfs/dbraw/zinc/42/46/44/965424644.db2.gz JYTWTGLDQNMBII-LBPRGKRZSA-N 1 2 236.359 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)CCC ZINC001483676021 965424656 /nfs/dbraw/zinc/42/46/56/965424656.db2.gz JYTWTGLDQNMBII-LBPRGKRZSA-N 1 2 236.359 1.636 20 30 BDEDLO C#CCN1CC[NH+](Cc2cc(C)ns2)CC1 ZINC001233312865 965487610 /nfs/dbraw/zinc/48/76/10/965487610.db2.gz QIEZVSSCWTUIGS-UHFFFAOYSA-N 1 2 235.356 1.202 20 30 BDEDLO Cc1nonc1CNc1[nH+]cccc1CC#N ZINC001164053784 965715766 /nfs/dbraw/zinc/71/57/66/965715766.db2.gz WSOBFMBJICWZHY-UHFFFAOYSA-N 1 2 229.243 1.451 20 30 BDEDLO C[C@@H]1CN(c2cc(CC#N)cc[nH+]2)CC[C@]1(C)O ZINC001164351127 965855859 /nfs/dbraw/zinc/85/58/59/965855859.db2.gz YZBZSDPXJUFWBV-RISCZKNCSA-N 1 2 245.326 1.745 20 30 BDEDLO CSc1cccnc1N1CC[NH2+]C[C@H]1C#N ZINC001164651710 965939616 /nfs/dbraw/zinc/93/96/16/965939616.db2.gz KYLOFWNGIWBETE-SECBINFHSA-N 1 2 234.328 1.105 20 30 BDEDLO C[C@]1(O)CCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001165227719 965994253 /nfs/dbraw/zinc/99/42/53/965994253.db2.gz DKZWFBQDZCLZBL-LBPRGKRZSA-N 1 2 217.272 1.109 20 30 BDEDLO Cc1cc2[nH]ccc2c(N(C)CC#N)[nH+]1 ZINC001166799069 966414297 /nfs/dbraw/zinc/41/42/97/966414297.db2.gz FIIJEQWVRZGWFQ-UHFFFAOYSA-N 1 2 200.245 1.831 20 30 BDEDLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2C#N)c(C)c[nH+]1 ZINC001127647465 966555041 /nfs/dbraw/zinc/55/50/41/966555041.db2.gz UYCWMINABWVAKI-NXEZZACHSA-N 1 2 215.256 1.219 20 30 BDEDLO Cc1ccc(-n2ccc(C#N)c2N)c(C)[nH+]1 ZINC001203370523 966618995 /nfs/dbraw/zinc/61/89/95/966618995.db2.gz NENHLRFCBYECDV-UHFFFAOYSA-N 1 2 212.256 1.943 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc3c(c2)OCO3)C1 ZINC001204049065 966867870 /nfs/dbraw/zinc/86/78/70/966867870.db2.gz BOSVYOKNARQVKY-UHFFFAOYSA-N 1 2 230.267 1.761 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CCCC12COC2 ZINC001204369850 966979542 /nfs/dbraw/zinc/97/95/42/966979542.db2.gz GLDLOGFMIIPRGM-UHFFFAOYSA-N 1 2 228.295 1.923 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CCCC12COC2 ZINC001204369850 966979549 /nfs/dbraw/zinc/97/95/49/966979549.db2.gz GLDLOGFMIIPRGM-UHFFFAOYSA-N 1 2 228.295 1.923 20 30 BDEDLO CCCN(CCC#N)Cc1c[nH+]cn1C ZINC001204387849 966985095 /nfs/dbraw/zinc/98/50/95/966985095.db2.gz LPJBUFPEPDYEKD-UHFFFAOYSA-N 1 2 206.293 1.546 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(F)c2C)CC1 ZINC001204511076 967016132 /nfs/dbraw/zinc/01/61/32/967016132.db2.gz QYANXVLLCFCYDQ-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO C#Cc1cc(Nc2ccc3c(c2)NC(=O)C3)cc[nH+]1 ZINC001250311883 967659691 /nfs/dbraw/zinc/65/96/91/967659691.db2.gz KCTFJMOIRGIPTN-UHFFFAOYSA-N 1 2 249.273 1.723 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C(C)C)C1 ZINC001494455202 968022567 /nfs/dbraw/zinc/02/25/67/968022567.db2.gz CTOSGYYQMWIHMQ-NSHDSACASA-N 1 2 224.348 1.655 20 30 BDEDLO C#CCCc1[nH]c2cc3c(cc2[nH+]1)OCC(=O)N3 ZINC001250606264 968152895 /nfs/dbraw/zinc/15/28/95/968152895.db2.gz GORAKMMFGKCMFH-UHFFFAOYSA-N 1 2 241.250 1.460 20 30 BDEDLO COc1ncc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC001206419660 968296104 /nfs/dbraw/zinc/29/61/04/968296104.db2.gz XZLRSPUQPXJENQ-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO C[C@@H]1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C[C@@H]1C ZINC000085804487 968462366 /nfs/dbraw/zinc/46/23/66/968462366.db2.gz IFIYZNBCJWFFJL-VOAKCMCISA-N 1 2 221.348 1.608 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CCC1=O ZINC001207102606 968629778 /nfs/dbraw/zinc/62/97/78/968629778.db2.gz CIOUIZTYLNYIAY-NSHDSACASA-N 1 2 245.326 1.698 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CCC1=O ZINC001207102606 968629783 /nfs/dbraw/zinc/62/97/83/968629783.db2.gz CIOUIZTYLNYIAY-NSHDSACASA-N 1 2 245.326 1.698 20 30 BDEDLO C=C[C@](C)(O)CNc1cccc2[nH+]c[nH]c21 ZINC001252562699 968811050 /nfs/dbraw/zinc/81/10/50/968811050.db2.gz WIXKCYQEKJELMR-LBPRGKRZSA-N 1 2 217.272 1.912 20 30 BDEDLO C=CCC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001252589919 968846164 /nfs/dbraw/zinc/84/61/64/968846164.db2.gz UFUSKWRWBXIDEA-JTQLQIEISA-N 1 2 207.277 1.524 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001085762014 968849845 /nfs/dbraw/zinc/84/98/45/968849845.db2.gz YWHRJIJWKKQEMB-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001085762014 968849848 /nfs/dbraw/zinc/84/98/48/968849848.db2.gz YWHRJIJWKKQEMB-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO CCn1cc(C[NH2+]CC#Cc2ccccc2)nn1 ZINC000404488912 968893463 /nfs/dbraw/zinc/89/34/63/968893463.db2.gz FRMLBWSHCCQTLW-UHFFFAOYSA-N 1 2 240.310 1.439 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001252846897 969035640 /nfs/dbraw/zinc/03/56/40/969035640.db2.gz FCFGFJNMJKOZEW-GWCFXTLKSA-N 1 2 234.274 1.705 20 30 BDEDLO N#C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001252846897 969035648 /nfs/dbraw/zinc/03/56/48/969035648.db2.gz FCFGFJNMJKOZEW-GWCFXTLKSA-N 1 2 234.274 1.705 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001253578945 969256871 /nfs/dbraw/zinc/25/68/71/969256871.db2.gz KFUJWRDQTQELCD-SNVBAGLBSA-N 1 2 238.718 1.640 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001253578945 969256885 /nfs/dbraw/zinc/25/68/85/969256885.db2.gz KFUJWRDQTQELCD-SNVBAGLBSA-N 1 2 238.718 1.640 20 30 BDEDLO N#CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168978292 969297965 /nfs/dbraw/zinc/29/79/65/969297965.db2.gz QSQCYGSEWDCLDS-WDEREUQCSA-N 1 2 237.303 1.858 20 30 BDEDLO CC(C)(C#N)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967308 969321659 /nfs/dbraw/zinc/32/16/59/969321659.db2.gz OEZVSUKBUXAGTQ-DTWKUNHWSA-N 1 2 211.265 1.324 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1C1CCC(F)(F)CC1 ZINC001254218929 969546110 /nfs/dbraw/zinc/54/61/10/969546110.db2.gz XBGNTKKIIAMFRT-JTQLQIEISA-N 1 2 229.274 1.362 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2NC(=O)c3ccccc32)C1 ZINC001254646022 969761231 /nfs/dbraw/zinc/76/12/31/969761231.db2.gz JAUNBFYZSUTFLA-GIPNMCIBSA-N 1 2 241.294 1.710 20 30 BDEDLO Cc1nnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC001254647958 969762541 /nfs/dbraw/zinc/76/25/41/969762541.db2.gz JAUXKBGTVJBSPK-RKDXNWHRSA-N 1 2 206.249 1.160 20 30 BDEDLO C#Cc1cnc(Nc2c[nH+]c(C)c(N)c2)c(C#C)n1 ZINC001210286966 969853573 /nfs/dbraw/zinc/85/35/73/969853573.db2.gz HKNUGLVKTFQVFY-UHFFFAOYSA-N 1 2 249.277 1.468 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001169780327 969854184 /nfs/dbraw/zinc/85/41/84/969854184.db2.gz SXYXCDFYFMNGEF-ZETCQYMHSA-N 1 2 247.220 1.641 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc(N2CCCC2)[nH+]c1 ZINC001169780964 969856254 /nfs/dbraw/zinc/85/62/54/969856254.db2.gz KQCWZXIWPKYLLR-NSHDSACASA-N 1 2 233.315 1.641 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cncnc1 ZINC001255154395 969961000 /nfs/dbraw/zinc/96/10/00/969961000.db2.gz BZVUAWGJQSUTRU-ONGXEEELSA-N 1 2 204.277 1.819 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]C[C@@H](F)C(C)(C)O ZINC001255164194 969973809 /nfs/dbraw/zinc/97/38/09/969973809.db2.gz KONMRJKYANDDBC-DTWKUNHWSA-N 1 2 202.273 1.377 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001255165358 969976093 /nfs/dbraw/zinc/97/60/93/969976093.db2.gz WLTDFUBKQXTSMG-LLVKDONJSA-N 1 2 247.298 1.650 20 30 BDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)COC ZINC001255558865 970341150 /nfs/dbraw/zinc/34/11/50/970341150.db2.gz ZCKIEKVHKKVOIT-NEPJUHHUSA-N 1 2 243.347 1.755 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC001256238948 970726107 /nfs/dbraw/zinc/72/61/07/970726107.db2.gz VJACYSMEZODLFJ-LLVKDONJSA-N 1 2 249.314 1.133 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC001256238948 970726117 /nfs/dbraw/zinc/72/61/17/970726117.db2.gz VJACYSMEZODLFJ-LLVKDONJSA-N 1 2 249.314 1.133 20 30 BDEDLO Cn1c[nH+]cc1CN1CCC[C@H](C#N)C1 ZINC000401850635 970736499 /nfs/dbraw/zinc/73/64/99/970736499.db2.gz SMKWMGWDQIREAU-SNVBAGLBSA-N 1 2 204.277 1.156 20 30 BDEDLO C=C(C(=O)N(CC)C1C[NH+](C)C1)C(F)(F)F ZINC001144209946 972681922 /nfs/dbraw/zinc/68/19/22/972681922.db2.gz VMMURZAFEGCYDZ-UHFFFAOYSA-N 1 2 236.237 1.267 20 30 BDEDLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171181921 972813082 /nfs/dbraw/zinc/81/30/82/972813082.db2.gz RCAGSGHETNWYEY-MNOVXSKESA-N 1 2 246.310 1.640 20 30 BDEDLO COC(=O)[C@@H]1C[C@H]1CNc1cc(CC#N)cc[nH+]1 ZINC001161040758 973634588 /nfs/dbraw/zinc/63/45/88/973634588.db2.gz GHBRVMDCGXBWBV-WDEREUQCSA-N 1 2 245.282 1.369 20 30 BDEDLO N#CC1([NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CCCC1 ZINC001172173823 974432513 /nfs/dbraw/zinc/43/25/13/974432513.db2.gz WWQJDFITYPPVPC-VXGBXAGGSA-N 1 2 247.342 1.566 20 30 BDEDLO COC(=O)C1([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172479646 974778783 /nfs/dbraw/zinc/77/87/83/974778783.db2.gz IYGGJXZMRMBXSU-VIFPVBQESA-N 1 2 210.277 1.364 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC ZINC001172482905 974783262 /nfs/dbraw/zinc/78/32/62/974783262.db2.gz AVVVSTRFCIYYQP-QWRGUYRKSA-N 1 2 222.288 1.223 20 30 BDEDLO C[C@@H](CCCC#N)N1CC[NH2+]CC(F)(F)C1 ZINC001172491697 974838057 /nfs/dbraw/zinc/83/80/57/974838057.db2.gz GMDCKIJAVDSJDS-JTQLQIEISA-N 1 2 231.290 1.609 20 30 BDEDLO Cc1nc(C[N@@H+](C)[C@@H](C)CCCC#N)no1 ZINC001172494130 974841399 /nfs/dbraw/zinc/84/13/99/974841399.db2.gz RIDXVEARSYICOR-VIFPVBQESA-N 1 2 222.292 1.892 20 30 BDEDLO Cc1nc(C[N@H+](C)[C@@H](C)CCCC#N)no1 ZINC001172494130 974841401 /nfs/dbraw/zinc/84/14/01/974841401.db2.gz RIDXVEARSYICOR-VIFPVBQESA-N 1 2 222.292 1.892 20 30 BDEDLO C=C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332055233 974934766 /nfs/dbraw/zinc/93/47/66/974934766.db2.gz WVWGUHIKJOHZQR-CABZTGNLSA-N 1 2 248.330 1.481 20 30 BDEDLO C=C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001332055233 974934774 /nfs/dbraw/zinc/93/47/74/974934774.db2.gz WVWGUHIKJOHZQR-CABZTGNLSA-N 1 2 248.330 1.481 20 30 BDEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC001332136369 974970748 /nfs/dbraw/zinc/97/07/48/974970748.db2.gz OCSREMXANGGJIP-CYBMUJFWSA-N 1 2 249.314 1.648 20 30 BDEDLO CC(C)c1ocnc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC001332136369 974970753 /nfs/dbraw/zinc/97/07/53/974970753.db2.gz OCSREMXANGGJIP-CYBMUJFWSA-N 1 2 249.314 1.648 20 30 BDEDLO C#CCN(C(=O)[C@H](C)n1cc[nH+]c1)C1CSC1 ZINC001332208482 975005820 /nfs/dbraw/zinc/00/58/20/975005820.db2.gz DCBFSSLCOXPPIH-JTQLQIEISA-N 1 2 249.339 1.021 20 30 BDEDLO CC[C@@H]1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001173272317 975148352 /nfs/dbraw/zinc/14/83/52/975148352.db2.gz IFKOCWOBCKHBEO-WOPDTQHZSA-N 1 2 207.321 1.362 20 30 BDEDLO N#CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001332671202 975244935 /nfs/dbraw/zinc/24/49/35/975244935.db2.gz MOWBEDJQYCMENW-SNVBAGLBSA-N 1 2 232.287 1.104 20 30 BDEDLO C=C[C@H](Oc1c(C)cc[nH+]c1C)C(=O)OC ZINC001227265583 975344932 /nfs/dbraw/zinc/34/49/32/975344932.db2.gz UMVFUHSQHTVEKF-JTQLQIEISA-N 1 2 221.256 1.805 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173773076 975604834 /nfs/dbraw/zinc/60/48/34/975604834.db2.gz ZMVYWVFOHLZZKE-GMTAPVOTSA-N 1 2 234.307 1.001 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173773076 975604843 /nfs/dbraw/zinc/60/48/43/975604843.db2.gz ZMVYWVFOHLZZKE-GMTAPVOTSA-N 1 2 234.307 1.001 20 30 BDEDLO C[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)n1cc[nH+]c1 ZINC001334314032 976443185 /nfs/dbraw/zinc/44/31/85/976443185.db2.gz MSKMZWNBOWXFOO-JQWIXIFHSA-N 1 2 246.314 1.643 20 30 BDEDLO C[N@H+](Cc1cncc(C#N)c1)Cc1ccccn1 ZINC000721514728 977012457 /nfs/dbraw/zinc/01/24/57/977012457.db2.gz BFDGKTWEDADGQY-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1cncc(C#N)c1)Cc1ccccn1 ZINC000721514728 977012472 /nfs/dbraw/zinc/01/24/72/977012472.db2.gz BFDGKTWEDADGQY-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C=C(C)Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001174788029 977023515 /nfs/dbraw/zinc/02/35/15/977023515.db2.gz PTXAMOALPFDXGY-NSHDSACASA-N 1 2 219.288 1.598 20 30 BDEDLO CN(C)c1ccc(Nc2c(C#N)cnn2C)c[nH+]1 ZINC001175338525 977388502 /nfs/dbraw/zinc/38/85/02/977388502.db2.gz GQLMFTRCXCDWLT-UHFFFAOYSA-N 1 2 242.286 1.496 20 30 BDEDLO C#Cc1cccc(C[NH+]2CCN(CC)CC2)c1 ZINC001231656632 977651929 /nfs/dbraw/zinc/65/19/29/977651929.db2.gz PQZMSEHYIBFIBM-UHFFFAOYSA-N 1 2 228.339 1.805 20 30 BDEDLO COc1cc[nH+]c(CN(C)[C@@H](C)C#N)c1 ZINC001231969637 977813214 /nfs/dbraw/zinc/81/32/14/977813214.db2.gz NRMAZQCNPMQBEB-VIFPVBQESA-N 1 2 205.261 1.434 20 30 BDEDLO COc1cc[nH+]c(CN2CCC(=O)[C@@H](C#N)C2)c1 ZINC001231968891 977815452 /nfs/dbraw/zinc/81/54/52/977815452.db2.gz HWENODBYWRRFFL-JTQLQIEISA-N 1 2 245.282 1.005 20 30 BDEDLO N#CC1CC[NH+](Cc2cncc(O)c2)CC1 ZINC001232038744 977862985 /nfs/dbraw/zinc/86/29/85/977862985.db2.gz IMHBDRXTUIBSQA-UHFFFAOYSA-N 1 2 217.272 1.523 20 30 BDEDLO C#CCC1(O)CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001336701238 977865566 /nfs/dbraw/zinc/86/55/66/977865566.db2.gz LFFFAXNLDXLMKJ-UHFFFAOYSA-N 1 2 248.301 1.884 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC001336757702 977924494 /nfs/dbraw/zinc/92/44/94/977924494.db2.gz YJZHTLXGJBNMHG-UHFFFAOYSA-N 1 2 248.286 1.174 20 30 BDEDLO C#CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC001336757702 977924502 /nfs/dbraw/zinc/92/45/02/977924502.db2.gz YJZHTLXGJBNMHG-UHFFFAOYSA-N 1 2 248.286 1.174 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1cccnc1 ZINC001336778783 977953348 /nfs/dbraw/zinc/95/33/48/977953348.db2.gz CLVDQSYTADKMSV-DGCLKSJQSA-N 1 2 244.298 1.148 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(OCC)c(C)c1 ZINC001232312462 978001143 /nfs/dbraw/zinc/00/11/43/978001143.db2.gz UYJCSOZFSBIMCS-UHFFFAOYSA-N 1 2 242.322 1.857 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(N)nc1C ZINC001232347686 978028598 /nfs/dbraw/zinc/02/85/98/978028598.db2.gz SJSNHQSDEJZQRI-UHFFFAOYSA-N 1 2 213.284 1.041 20 30 BDEDLO C#Cc1cc(Nc2cnc(C)nc2)cc[nH+]1 ZINC001176394016 978043349 /nfs/dbraw/zinc/04/33/49/978043349.db2.gz WYUCKJQQVSLOBV-UHFFFAOYSA-N 1 2 210.240 1.327 20 30 BDEDLO Cc1ncc(C[N@@H+]2CCC[C@H](C#N)CC2)[nH]1 ZINC001232463083 978102179 /nfs/dbraw/zinc/10/21/79/978102179.db2.gz BTJKJBROAMHVSN-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1ncc(C[N@H+]2CCC[C@H](C#N)CC2)[nH]1 ZINC001232463083 978102186 /nfs/dbraw/zinc/10/21/86/978102186.db2.gz BTJKJBROAMHVSN-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1nc(C[N@@H+]2CCC[C@H](C#N)CC2)c[nH]1 ZINC001232463083 978102197 /nfs/dbraw/zinc/10/21/97/978102197.db2.gz BTJKJBROAMHVSN-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1nc(C[N@H+]2CCC[C@H](C#N)CC2)c[nH]1 ZINC001232463083 978102207 /nfs/dbraw/zinc/10/22/07/978102207.db2.gz BTJKJBROAMHVSN-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO CCCCN(CC#N)Cc1c[nH+]c(C)[nH]1 ZINC001232464412 978113957 /nfs/dbraw/zinc/11/39/57/978113957.db2.gz CRRYABOZFKFSRP-UHFFFAOYSA-N 1 2 206.293 1.844 20 30 BDEDLO CCCCN(CC#N)Cc1c[nH]c(C)[nH+]1 ZINC001232464412 978113971 /nfs/dbraw/zinc/11/39/71/978113971.db2.gz CRRYABOZFKFSRP-UHFFFAOYSA-N 1 2 206.293 1.844 20 30 BDEDLO N#Cc1ccnc(C[NH+]2CC3(CSC3)C2)c1 ZINC001232481724 978135746 /nfs/dbraw/zinc/13/57/46/978135746.db2.gz JZGADQNBDXNGHE-UHFFFAOYSA-N 1 2 231.324 1.502 20 30 BDEDLO C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673690 978234588 /nfs/dbraw/zinc/23/45/88/978234588.db2.gz LDORAVYVSNMGLA-SECBINFHSA-N 1 2 202.257 1.858 20 30 BDEDLO C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673690 978234606 /nfs/dbraw/zinc/23/46/06/978234606.db2.gz LDORAVYVSNMGLA-SECBINFHSA-N 1 2 202.257 1.858 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001232678426 978243137 /nfs/dbraw/zinc/24/31/37/978243137.db2.gz YUJCFZFUXRCZOW-AWEZNQCLSA-N 1 2 244.294 1.629 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001232678426 978243146 /nfs/dbraw/zinc/24/31/46/978243146.db2.gz YUJCFZFUXRCZOW-AWEZNQCLSA-N 1 2 244.294 1.629 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC001232676138 978244925 /nfs/dbraw/zinc/24/49/25/978244925.db2.gz ZZCMVPSAOMXBFN-UHFFFAOYSA-N 1 2 244.294 1.486 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC3(COC3)C2)c1 ZINC001232676138 978244934 /nfs/dbraw/zinc/24/49/34/978244934.db2.gz ZZCMVPSAOMXBFN-UHFFFAOYSA-N 1 2 244.294 1.486 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCCOC1 ZINC001232680757 978248711 /nfs/dbraw/zinc/24/87/11/978248711.db2.gz HHFXQBNXTKQVKV-CYBMUJFWSA-N 1 2 246.310 1.875 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCCOC1 ZINC001232680757 978248722 /nfs/dbraw/zinc/24/87/22/978248722.db2.gz HHFXQBNXTKQVKV-CYBMUJFWSA-N 1 2 246.310 1.875 20 30 BDEDLO C#CCC1(O)CCN(c2ccc(CC)c[nH+]2)CC1 ZINC001337254551 978250403 /nfs/dbraw/zinc/25/04/03/978250403.db2.gz WEFCNHIBXQCKAV-UHFFFAOYSA-N 1 2 244.338 1.999 20 30 BDEDLO C=C(C)CNC(=O)CN(C)c1cccc[nH+]1 ZINC001177414083 978353816 /nfs/dbraw/zinc/35/38/16/978353816.db2.gz RKQHXNXCYIQRIR-UHFFFAOYSA-N 1 2 219.288 1.210 20 30 BDEDLO C#Cc1cc(Nc2ccccc2N)cc[nH+]1 ZINC001206309250 978423011 /nfs/dbraw/zinc/42/30/11/978423011.db2.gz VHNOOEUPQQQFCD-UHFFFAOYSA-N 1 2 209.252 1.811 20 30 BDEDLO CCO[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233044138 978425399 /nfs/dbraw/zinc/42/53/99/978425399.db2.gz KVUPOXWSEFUOKS-GFCCVEGCSA-N 1 2 233.315 1.887 20 30 BDEDLO CCO[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233044138 978425402 /nfs/dbraw/zinc/42/54/02/978425402.db2.gz KVUPOXWSEFUOKS-GFCCVEGCSA-N 1 2 233.315 1.887 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001233043827 978428168 /nfs/dbraw/zinc/42/81/68/978428168.db2.gz MYLUHGGTKFDZIO-SMDDNHRTSA-N 1 2 245.326 1.887 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001233043827 978428171 /nfs/dbraw/zinc/42/81/71/978428171.db2.gz MYLUHGGTKFDZIO-SMDDNHRTSA-N 1 2 245.326 1.887 20 30 BDEDLO C[N@H+](Cc1[nH]ccc1C#N)[C@H]1CCCOC1 ZINC001233049461 978442816 /nfs/dbraw/zinc/44/28/16/978442816.db2.gz PNHGRGNNYOPMKS-NSHDSACASA-N 1 2 219.288 1.497 20 30 BDEDLO C[N@@H+](Cc1[nH]ccc1C#N)[C@H]1CCCOC1 ZINC001233049461 978442827 /nfs/dbraw/zinc/44/28/27/978442827.db2.gz PNHGRGNNYOPMKS-NSHDSACASA-N 1 2 219.288 1.497 20 30 BDEDLO CO[C@@H](C)C1C[NH+](Cc2[nH]ccc2C#N)C1 ZINC001233048795 978443089 /nfs/dbraw/zinc/44/30/89/978443089.db2.gz MLSPENRRMHHHIP-VIFPVBQESA-N 1 2 219.288 1.353 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001337861784 978531647 /nfs/dbraw/zinc/53/16/47/978531647.db2.gz GSJUHOBUHYDHKU-ZJUUUORDSA-N 1 2 220.276 1.062 20 30 BDEDLO N#C[C@@H]1CCCCN1Cc1cccc(N)[nH+]1 ZINC001233371752 978582975 /nfs/dbraw/zinc/58/29/75/978582975.db2.gz HIGWBHSRMVTDDR-NSHDSACASA-N 1 2 216.288 1.542 20 30 BDEDLO C[C@H]1C[NH+](Cc2ccc(C#N)cc2O)C[C@H](C)O1 ZINC001233382736 978591989 /nfs/dbraw/zinc/59/19/89/978591989.db2.gz HMTJGQWIYWLAAB-QWRGUYRKSA-N 1 2 246.310 1.873 20 30 BDEDLO CN(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233383885 978595453 /nfs/dbraw/zinc/59/54/53/978595453.db2.gz ZTMARGWHIBENAV-ZDUSSCGKSA-N 1 2 245.326 1.400 20 30 BDEDLO CN(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233383885 978595454 /nfs/dbraw/zinc/59/54/54/978595454.db2.gz ZTMARGWHIBENAV-ZDUSSCGKSA-N 1 2 245.326 1.400 20 30 BDEDLO CCc1[nH]c(CNC(=O)C2(C#N)CCC2)c[nH+]1 ZINC001178669416 978604928 /nfs/dbraw/zinc/60/49/28/978604928.db2.gz JBUPFOKVVIHDKF-UHFFFAOYSA-N 1 2 232.287 1.282 20 30 BDEDLO CCc1[nH]cc(CNC(=O)C2(C#N)CCC2)[nH+]1 ZINC001178669416 978604931 /nfs/dbraw/zinc/60/49/31/978604931.db2.gz JBUPFOKVVIHDKF-UHFFFAOYSA-N 1 2 232.287 1.282 20 30 BDEDLO C#CCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001338284657 978652681 /nfs/dbraw/zinc/65/26/81/978652681.db2.gz KYCLRZGNHURALZ-UHFFFAOYSA-N 1 2 233.315 1.488 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001338555525 978707329 /nfs/dbraw/zinc/70/73/29/978707329.db2.gz DMCOSTVVBDPNQY-ZJUUUORDSA-N 1 2 220.276 1.205 20 30 BDEDLO CCCn1cncc1C[NH2+][C@H](C)CC#N ZINC001179478816 978708172 /nfs/dbraw/zinc/70/81/72/978708172.db2.gz FZZSZAWDQIMRDV-SNVBAGLBSA-N 1 2 206.293 1.685 20 30 BDEDLO C=CCSCC(=O)N(CC)C1C[NH+](C)C1 ZINC001180559398 978909148 /nfs/dbraw/zinc/90/91/48/978909148.db2.gz ABGMCKVGMLYFNU-UHFFFAOYSA-N 1 2 228.361 1.068 20 30 BDEDLO C=C(C)COCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001340445254 979021297 /nfs/dbraw/zinc/02/12/97/979021297.db2.gz KSGRWCQSFOYDEK-LLVKDONJSA-N 1 2 237.303 1.153 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1CC#N ZINC001235523161 979061977 /nfs/dbraw/zinc/06/19/77/979061977.db2.gz LPYWQJPSMMYWKP-LLVKDONJSA-N 1 2 246.310 1.746 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1CC#N ZINC001235523161 979061985 /nfs/dbraw/zinc/06/19/85/979061985.db2.gz LPYWQJPSMMYWKP-LLVKDONJSA-N 1 2 246.310 1.746 20 30 BDEDLO Cc1[nH+]cn(C)c1CN1C[C@@H](F)C[C@H]1C#N ZINC001235554590 979099856 /nfs/dbraw/zinc/09/98/56/979099856.db2.gz FDNIMPTZGDTAPS-UWVGGRQHSA-N 1 2 222.267 1.165 20 30 BDEDLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)CC#N ZINC001340810432 979116689 /nfs/dbraw/zinc/11/66/89/979116689.db2.gz JYPMKXLDNXLKJN-MRVPVSSYSA-N 1 2 217.272 1.609 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001602989196 979356854 /nfs/dbraw/zinc/35/68/54/979356854.db2.gz QCDDTSBHGWSUTQ-SSDOTTSWSA-N 1 2 248.315 1.177 20 30 BDEDLO C[NH+](C)C1(C(=O)Nc2ccc(C#N)cc2O)CC1 ZINC001182598002 979561737 /nfs/dbraw/zinc/56/17/37/979561737.db2.gz ZIXYNTYIXQGVTE-UHFFFAOYSA-N 1 2 245.282 1.297 20 30 BDEDLO C#CC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001182636437 979573651 /nfs/dbraw/zinc/57/36/51/979573651.db2.gz QGHZIGVEMMNEHU-UHFFFAOYSA-N 1 2 227.267 1.932 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc2c(cc[nH]c2=O)o1 ZINC001184115760 979952901 /nfs/dbraw/zinc/95/29/01/979952901.db2.gz NNLUNTSEXFRFSR-UHFFFAOYSA-N 1 2 216.240 1.598 20 30 BDEDLO C#CC[N@H+](C)Cc1cc2c(cc[nH]c2=O)o1 ZINC001184115760 979952907 /nfs/dbraw/zinc/95/29/07/979952907.db2.gz NNLUNTSEXFRFSR-UHFFFAOYSA-N 1 2 216.240 1.598 20 30 BDEDLO CCC[N@H+](CCC#N)Cc1c[nH]ccc1=O ZINC001237837166 980080933 /nfs/dbraw/zinc/08/09/33/980080933.db2.gz KEFWWOIOAYSJLP-UHFFFAOYSA-N 1 2 219.288 1.501 20 30 BDEDLO CCC[N@@H+](CCC#N)Cc1c[nH]ccc1=O ZINC001237837166 980080943 /nfs/dbraw/zinc/08/09/43/980080943.db2.gz KEFWWOIOAYSJLP-UHFFFAOYSA-N 1 2 219.288 1.501 20 30 BDEDLO C#CC[NH+]1CCN(Cc2occc2OC)CC1 ZINC001237873078 980108354 /nfs/dbraw/zinc/10/83/54/980108354.db2.gz BWBPJNAWAZIRME-UHFFFAOYSA-N 1 2 234.299 1.039 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(CC#N)n1 ZINC001343583286 980157054 /nfs/dbraw/zinc/15/70/54/980157054.db2.gz XAZQAULTDXREAY-LLVKDONJSA-N 1 2 241.298 1.845 20 30 BDEDLO C#Cc1cc(Nc2cccnc2C)cc[nH+]1 ZINC001205338675 980277870 /nfs/dbraw/zinc/27/78/70/980277870.db2.gz LSGKGIJYFYGZFS-UHFFFAOYSA-N 1 2 209.252 1.932 20 30 BDEDLO CN(Cc1ccc(N)[nH+]c1)c1ccnc(C#N)c1 ZINC001186024102 980311426 /nfs/dbraw/zinc/31/14/26/980311426.db2.gz ZLEBBZJYPWKPES-UHFFFAOYSA-N 1 2 239.282 1.567 20 30 BDEDLO COc1ccc(CC[NH+]2CCOCC2)c(C#N)c1 ZINC001250276599 980649156 /nfs/dbraw/zinc/64/91/56/980649156.db2.gz KMIFYDXTEIFWKZ-UHFFFAOYSA-N 1 2 246.310 1.442 20 30 BDEDLO N#Cc1ccc(CCn2cc[nH+]c2)c(N)c1 ZINC001250318897 980758526 /nfs/dbraw/zinc/75/85/26/980758526.db2.gz LDVJBPHQVNJIIE-UHFFFAOYSA-N 1 2 212.256 1.580 20 30 BDEDLO C=C(CC(C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001346591135 980868239 /nfs/dbraw/zinc/86/82/39/980868239.db2.gz FXSGWYGNEPCRCU-LBPRGKRZSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C(CC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001346944998 980936124 /nfs/dbraw/zinc/93/61/24/980936124.db2.gz KGJWBWRYBTVZOI-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C[C@H](C#N)N(C(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001347318405 981046418 /nfs/dbraw/zinc/04/64/18/981046418.db2.gz VMHHXPIBULMYOF-SNVBAGLBSA-N 1 2 246.314 1.256 20 30 BDEDLO Cc1cc(-c2ccc3[nH+]ccn3c2)nc(C#N)n1 ZINC001240214310 981162459 /nfs/dbraw/zinc/16/24/59/981162459.db2.gz MDVPMFROPKXIJN-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO N#CCc1cncc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240216708 981165915 /nfs/dbraw/zinc/16/59/15/981165915.db2.gz MJGXNMRPIZXQRP-UHFFFAOYSA-N 1 2 235.250 1.857 20 30 BDEDLO N#Cc1ncc(-c2ccn3cc[nH+]c3c2)nc1C#N ZINC001240504769 981431154 /nfs/dbraw/zinc/43/11/54/981431154.db2.gz XONYMRSJEXXTOE-UHFFFAOYSA-N 1 2 246.233 1.535 20 30 BDEDLO N#Cc1ncc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240509492 981433359 /nfs/dbraw/zinc/43/33/59/981433359.db2.gz ZRLMAHKKCDHDGK-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO C=CCOC(=O)N1CCn2c[nH+]cc2C1 ZINC001194310316 981649233 /nfs/dbraw/zinc/64/92/33/981649233.db2.gz SAULNQFSPWVZLZ-UHFFFAOYSA-N 1 2 207.233 1.021 20 30 BDEDLO C=C[C@H](C)ONC(=O)c1cccc2[nH+]ccn21 ZINC001583409125 981816353 /nfs/dbraw/zinc/81/63/53/981816353.db2.gz VYKQZFHQQKYSLR-VIFPVBQESA-N 1 2 231.255 1.570 20 30 BDEDLO C=C(C)[C@@H](Cc1nnc(C[NH+](C)C)o1)OCC ZINC001349947948 981823946 /nfs/dbraw/zinc/82/39/46/981823946.db2.gz PRGDVZLCXIINQW-SNVBAGLBSA-N 1 2 239.319 1.655 20 30 BDEDLO CC[C@@H](CO)[N@H+](C)Cc1nc(C#N)cs1 ZINC001194734538 981862647 /nfs/dbraw/zinc/86/26/47/981862647.db2.gz VSUARUCILJYOCJ-VIFPVBQESA-N 1 2 225.317 1.217 20 30 BDEDLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C#N)cs1 ZINC001194734538 981862650 /nfs/dbraw/zinc/86/26/50/981862650.db2.gz VSUARUCILJYOCJ-VIFPVBQESA-N 1 2 225.317 1.217 20 30 BDEDLO C=C(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001351153105 982218868 /nfs/dbraw/zinc/21/88/68/982218868.db2.gz QHHONTXHWZLHFT-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]ccc2C)CC1 ZINC001195489368 982293244 /nfs/dbraw/zinc/29/32/44/982293244.db2.gz PJRPPFWVWMTIPD-UHFFFAOYSA-N 1 2 233.315 1.267 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1ncnn1C(C)C ZINC001351783225 982384272 /nfs/dbraw/zinc/38/42/72/982384272.db2.gz VNKHNDFJXWLYCJ-JTQLQIEISA-N 1 2 224.308 1.150 20 30 BDEDLO Cc1nc(C#N)c(Nc2ccc(N)[nH+]c2)o1 ZINC001201279579 983158696 /nfs/dbraw/zinc/15/86/96/983158696.db2.gz XPGGUSCCHZDEOS-UHFFFAOYSA-N 1 2 215.216 1.576 20 30 BDEDLO C#Cc1cccnc1Nc1ccc(N)[nH+]c1 ZINC001201271749 983172864 /nfs/dbraw/zinc/17/28/64/983172864.db2.gz AGEKYZNARIIPBT-UHFFFAOYSA-N 1 2 210.240 1.784 20 30 BDEDLO C=CC[NH+]1CCN(C(=S)NC(C)C)CC1 ZINC001200781612 983361502 /nfs/dbraw/zinc/36/15/02/983361502.db2.gz XIBMDOWKJDWOLZ-UHFFFAOYSA-N 1 2 227.377 1.073 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001252546844 983812101 /nfs/dbraw/zinc/81/21/01/983812101.db2.gz CLVZDWBSESRXMZ-VHSXEESVSA-N 1 2 237.265 1.850 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001252546844 983812104 /nfs/dbraw/zinc/81/21/04/983812104.db2.gz CLVZDWBSESRXMZ-VHSXEESVSA-N 1 2 237.265 1.850 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001252556481 983816008 /nfs/dbraw/zinc/81/60/08/983816008.db2.gz CEZYDQLAWJXCOD-DTWKUNHWSA-N 1 2 239.237 1.187 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001252556481 983816009 /nfs/dbraw/zinc/81/60/09/983816009.db2.gz CEZYDQLAWJXCOD-DTWKUNHWSA-N 1 2 239.237 1.187 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252603663 983843761 /nfs/dbraw/zinc/84/37/61/983843761.db2.gz DIDDLJNRPFTCQW-LLVKDONJSA-N 1 2 236.315 1.668 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252603663 983843762 /nfs/dbraw/zinc/84/37/62/983843762.db2.gz DIDDLJNRPFTCQW-LLVKDONJSA-N 1 2 236.315 1.668 20 30 BDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1CC1 ZINC001492900685 984046581 /nfs/dbraw/zinc/04/65/81/984046581.db2.gz BTDZLHNUVRXLDS-UHFFFAOYSA-N 1 2 230.739 1.587 20 30 BDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CC1 ZINC001492900685 984046593 /nfs/dbraw/zinc/04/65/93/984046593.db2.gz BTDZLHNUVRXLDS-UHFFFAOYSA-N 1 2 230.739 1.587 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001545727237 984132245 /nfs/dbraw/zinc/13/22/45/984132245.db2.gz JAJJVZXELXYCSX-MRVPVSSYSA-N 1 2 215.256 1.867 20 30 BDEDLO C=CCC1(O)CCN(c2cccc[nH+]2)CC1 ZINC000717440927 984196587 /nfs/dbraw/zinc/19/65/87/984196587.db2.gz VNYCEMUHZMOAQG-UHFFFAOYSA-N 1 2 218.300 1.989 20 30 BDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2CCC#N)C1=O ZINC001274031047 984243464 /nfs/dbraw/zinc/24/34/64/984243464.db2.gz GDYPMLDHCSVKRJ-ZDUSSCGKSA-N 1 2 233.315 1.153 20 30 BDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2CCC#N)C1=O ZINC001274031047 984243475 /nfs/dbraw/zinc/24/34/75/984243475.db2.gz GDYPMLDHCSVKRJ-ZDUSSCGKSA-N 1 2 233.315 1.153 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC#N)CC1 ZINC001447590954 984766343 /nfs/dbraw/zinc/76/63/43/984766343.db2.gz YLVDKBZSKUAMDX-UHFFFAOYSA-N 1 2 246.314 1.413 20 30 BDEDLO CCc1ccc(CCN2CC[NH2+]C[C@H]2C#N)cc1 ZINC001578257713 984903800 /nfs/dbraw/zinc/90/38/00/984903800.db2.gz LQKWOEYWCJKKKO-OAHLLOKOSA-N 1 2 243.354 1.589 20 30 BDEDLO C=C/C(=[NH+]\COC)c1ccc(C#N)cc1N ZINC001244088332 985804338 /nfs/dbraw/zinc/80/43/38/985804338.db2.gz HJLRYMJHJLUUKH-NTCAYCPXSA-N 1 2 215.256 1.719 20 30 BDEDLO C#Cc1cc(NC2=CC[C@@H](OC)CC2)cc[nH+]1 ZINC001212872251 985817717 /nfs/dbraw/zinc/81/77/17/985817717.db2.gz QVRBGWZCDOAAIO-CQSZACIVSA-N 1 2 228.295 1.980 20 30 BDEDLO C=C[C@@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001253587371 986171405 /nfs/dbraw/zinc/17/14/05/986171405.db2.gz KZAYCTNSJQMSGV-GFCCVEGCSA-N 1 2 244.294 1.168 20 30 BDEDLO Cc1cccc(CCCN2CC[NH2+]C[C@@H]2C#N)c1 ZINC001579759424 986207576 /nfs/dbraw/zinc/20/75/76/986207576.db2.gz HQZHIXLNJFNUCD-HNNXBMFYSA-N 1 2 243.354 1.725 20 30 BDEDLO C=C[C@@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001253607502 986265806 /nfs/dbraw/zinc/26/58/06/986265806.db2.gz YKDYYDDOYNSZSZ-LLVKDONJSA-N 1 2 249.310 1.057 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1ccc(O)c(F)c1F ZINC001462126848 986292701 /nfs/dbraw/zinc/29/27/01/986292701.db2.gz IXHRCBIOWSZSPN-VIFPVBQESA-N 1 2 243.253 1.961 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@H](CC)COC)C(=O)OCC ZINC001462250142 986322550 /nfs/dbraw/zinc/32/25/50/986322550.db2.gz QZVUVBWFIWKSKZ-VXGBXAGGSA-N 1 2 243.347 1.899 20 30 BDEDLO C#CC(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001465165601 986694019 /nfs/dbraw/zinc/69/40/19/986694019.db2.gz NUFWMQPHSAXYNC-UHFFFAOYSA-N 1 2 227.267 1.705 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3cncnc3C2)C1 ZINC001254659904 986701926 /nfs/dbraw/zinc/70/19/26/986701926.db2.gz DLGDIRLMVRWYQP-KOLCDFICSA-N 1 2 214.272 1.484 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2Cc3cncnc3C2)C1 ZINC001254659904 986701944 /nfs/dbraw/zinc/70/19/44/986701944.db2.gz DLGDIRLMVRWYQP-KOLCDFICSA-N 1 2 214.272 1.484 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC001473878030 987597568 /nfs/dbraw/zinc/59/75/68/987597568.db2.gz RXOALJSLPKKTDI-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1ccn(C)n1 ZINC001473878030 987597573 /nfs/dbraw/zinc/59/75/73/987597573.db2.gz RXOALJSLPKKTDI-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C#Cc1cccc(C[NH2+]Cc2cnn(C)n2)c1 ZINC001474178112 987655965 /nfs/dbraw/zinc/65/59/65/987655965.db2.gz ATSQPRSBIFCKCA-UHFFFAOYSA-N 1 2 226.283 1.086 20 30 BDEDLO COc1cc(O)ccc1C=NNc1[nH+]ccn1C ZINC001117735580 987879294 /nfs/dbraw/zinc/87/92/94/987879294.db2.gz IAXPCCNJVNJRIM-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC001480354794 987965004 /nfs/dbraw/zinc/96/50/04/987965004.db2.gz QTSYUMKXYNVCQC-UHFFFAOYSA-N 1 2 246.354 1.654 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C(C)C)C1 ZINC001494689256 988171852 /nfs/dbraw/zinc/17/18/52/988171852.db2.gz XAEVDTIGOXJYSP-NSHDSACASA-N 1 2 242.750 1.896 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C(C)C)C1 ZINC001494689256 988171868 /nfs/dbraw/zinc/17/18/68/988171868.db2.gz XAEVDTIGOXJYSP-NSHDSACASA-N 1 2 242.750 1.896 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CC[C@@H](C)OC)C1 ZINC001323910098 988650408 /nfs/dbraw/zinc/65/04/08/988650408.db2.gz MVHLBUIIUHXYMT-LLVKDONJSA-N 1 2 240.347 1.130 20 30 BDEDLO C=CCCOCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324467390 988848960 /nfs/dbraw/zinc/84/89/60/988848960.db2.gz JSTYHNUBPGRJGT-LLVKDONJSA-N 1 2 237.303 1.153 20 30 BDEDLO C#CC[N@@H+](Cc1ccoc1C(=O)OC)CC1CC1 ZINC001324765085 988970096 /nfs/dbraw/zinc/97/00/96/988970096.db2.gz TZXKKAZKEGUFDL-UHFFFAOYSA-N 1 2 247.294 1.911 20 30 BDEDLO C#CC[N@H+](Cc1ccoc1C(=O)OC)CC1CC1 ZINC001324765085 988970116 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/nfs/dbraw/zinc/98/53/39/343985339.db2.gz CUHNVBDAUPOJME-UHFFFAOYSA-N 1 2 234.274 1.920 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000602439096 349525598 /nfs/dbraw/zinc/52/55/98/349525598.db2.gz XULFGUROAITEHP-UHFFFAOYSA-N 1 2 214.272 1.689 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000602439096 349525602 /nfs/dbraw/zinc/52/56/02/349525602.db2.gz XULFGUROAITEHP-UHFFFAOYSA-N 1 2 214.272 1.689 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000293017723 136229722 /nfs/dbraw/zinc/22/97/22/136229722.db2.gz FEBBEJJIIRBACH-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000293017723 136229723 /nfs/dbraw/zinc/22/97/23/136229723.db2.gz FEBBEJJIIRBACH-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291423966 538948250 /nfs/dbraw/zinc/94/82/50/538948250.db2.gz KVDMGVQCPOYEPE-VXGBXAGGSA-N 1 2 249.314 1.018 20 30 BDEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324312 168382152 /nfs/dbraw/zinc/38/21/52/168382152.db2.gz CUPJXXGPPIKVMV-WDEREUQCSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324312 168382153 /nfs/dbraw/zinc/38/21/53/168382153.db2.gz CUPJXXGPPIKVMV-WDEREUQCSA-N 1 2 239.363 1.771 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(OC)nc1 ZINC000085821707 398290314 /nfs/dbraw/zinc/29/03/14/398290314.db2.gz NDOWNILVDVSMEJ-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)nc1 ZINC000085821707 398290317 /nfs/dbraw/zinc/29/03/17/398290317.db2.gz NDOWNILVDVSMEJ-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccc(Cl)c(C#N)n1 ZINC000357597976 398290935 /nfs/dbraw/zinc/29/09/35/398290935.db2.gz QPURINCCHPMVFS-UHFFFAOYSA-N 1 2 247.689 1.374 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccnn1CC1CCC1 ZINC000602606552 349628029 /nfs/dbraw/zinc/62/80/29/349628029.db2.gz AIISZKGVHPSTRL-LLVKDONJSA-N 1 2 232.331 1.932 20 30 BDEDLO Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)C#N)c(C)n1 ZINC000602607047 349629277 /nfs/dbraw/zinc/62/92/77/349629277.db2.gz FWQLIGWHMZKWOF-DTWKUNHWSA-N 1 2 218.304 1.904 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000602631647 349648893 /nfs/dbraw/zinc/64/88/93/349648893.db2.gz ROCYUFOIUOQAHG-VHSXEESVSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000602631647 349648895 /nfs/dbraw/zinc/64/88/95/349648895.db2.gz ROCYUFOIUOQAHG-VHSXEESVSA-N 1 2 232.274 1.628 20 30 BDEDLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309215213 536637891 /nfs/dbraw/zinc/63/78/91/536637891.db2.gz UHUXOAJKWUQEKJ-GUBZILKMSA-N 1 2 210.277 1.220 20 30 BDEDLO C=CCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000560881498 398337491 /nfs/dbraw/zinc/33/74/91/398337491.db2.gz AASGLPVGNRTPCR-UHFFFAOYSA-N 1 2 205.261 1.060 20 30 BDEDLO Cc1nn(C)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000331086014 398338611 /nfs/dbraw/zinc/33/86/11/398338611.db2.gz CWBYJHVKMKCWFI-UHFFFAOYSA-N 1 2 233.275 1.265 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367128694 136250358 /nfs/dbraw/zinc/25/03/58/136250358.db2.gz FSVUZJHNJCVLHD-HNNXBMFYSA-N 1 2 240.306 1.955 20 30 BDEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367128694 136250359 /nfs/dbraw/zinc/25/03/59/136250359.db2.gz FSVUZJHNJCVLHD-HNNXBMFYSA-N 1 2 240.306 1.955 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000602627136 349664281 /nfs/dbraw/zinc/66/42/81/349664281.db2.gz SJNFQJNLQBUONB-ZJUUUORDSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000602627136 349664285 /nfs/dbraw/zinc/66/42/85/349664285.db2.gz SJNFQJNLQBUONB-ZJUUUORDSA-N 1 2 232.274 1.628 20 30 BDEDLO CO[C@](C)(C[N@@H+]1CC[C@@](F)(C#N)C1)C1CC1 ZINC000602629516 349665258 /nfs/dbraw/zinc/66/52/58/349665258.db2.gz KPUCYORMYKCXQM-VXGBXAGGSA-N 1 2 226.295 1.739 20 30 BDEDLO CO[C@](C)(C[N@H+]1CC[C@@](F)(C#N)C1)C1CC1 ZINC000602629516 349665260 /nfs/dbraw/zinc/66/52/60/349665260.db2.gz KPUCYORMYKCXQM-VXGBXAGGSA-N 1 2 226.295 1.739 20 30 BDEDLO CC(C)Cn1cc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000562629381 398341899 /nfs/dbraw/zinc/34/18/99/398341899.db2.gz BLKYZPNQTZBLEY-UHFFFAOYSA-N 1 2 232.331 1.932 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000616820411 346902065 /nfs/dbraw/zinc/90/20/65/346902065.db2.gz QQYQSTQKWXBAPF-UUIJZJDISA-N 1 2 227.373 1.630 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000616820411 346902069 /nfs/dbraw/zinc/90/20/69/346902069.db2.gz QQYQSTQKWXBAPF-UUIJZJDISA-N 1 2 227.373 1.630 20 30 BDEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC(C)(C#N)C1 ZINC000602691643 349689049 /nfs/dbraw/zinc/68/90/49/349689049.db2.gz YFZYVLMLVKXTGW-LLVKDONJSA-N 1 2 230.315 1.717 20 30 BDEDLO C[C@H](CNC(=O)CC1(C#N)CC1)Cn1cc[nH+]c1 ZINC000590267168 346904335 /nfs/dbraw/zinc/90/43/35/346904335.db2.gz FARKTZFNQRXYCB-LLVKDONJSA-N 1 2 246.314 1.329 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000602737967 349722123 /nfs/dbraw/zinc/72/21/23/349722123.db2.gz DVAWFEFXUGOJHX-VWYCJHECSA-N 1 2 229.320 1.507 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000356069446 187212604 /nfs/dbraw/zinc/21/26/04/187212604.db2.gz WBXXJUUMQCRFTA-SECBINFHSA-N 1 2 237.328 1.219 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000356069446 187212605 /nfs/dbraw/zinc/21/26/05/187212605.db2.gz WBXXJUUMQCRFTA-SECBINFHSA-N 1 2 237.328 1.219 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CS[C@@H](C)C1)C(=O)OC ZINC000602740266 349708977 /nfs/dbraw/zinc/70/89/77/349708977.db2.gz VGFDSCGTWBYAPC-AXFHLTTASA-N 1 2 243.372 1.978 20 30 BDEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC000602796579 349737911 /nfs/dbraw/zinc/73/79/11/349737911.db2.gz QWGBFDAGHAJGOC-JTQLQIEISA-N 1 2 238.331 1.858 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC000602780451 349746062 /nfs/dbraw/zinc/74/60/62/349746062.db2.gz UVQWINYSSMFNKS-GFCCVEGCSA-N 1 2 240.347 1.664 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC000602780451 349746065 /nfs/dbraw/zinc/74/60/65/349746065.db2.gz UVQWINYSSMFNKS-GFCCVEGCSA-N 1 2 240.347 1.664 20 30 BDEDLO Cc1cccc(CCNc2nccnc2C#N)[nH+]1 ZINC000359812697 187216713 /nfs/dbraw/zinc/21/67/13/187216713.db2.gz HABBFCQJTRXYPL-UHFFFAOYSA-N 1 2 239.282 1.128 20 30 BDEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602860723 349772629 /nfs/dbraw/zinc/77/26/29/349772629.db2.gz FOFAGJBRSQYNPP-NXEZZACHSA-N 1 2 225.336 1.571 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000602863188 349775653 /nfs/dbraw/zinc/77/56/53/349775653.db2.gz LVDKGINLZKFXDQ-RYUDHWBXSA-N 1 2 237.347 1.669 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H]1CCc2ncnn21 ZINC000602838789 349777728 /nfs/dbraw/zinc/77/77/28/349777728.db2.gz SDDTZXYXDDMZCH-LLVKDONJSA-N 1 2 231.303 1.167 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCc2ncnn21 ZINC000602838789 349777731 /nfs/dbraw/zinc/77/77/31/349777731.db2.gz SDDTZXYXDDMZCH-LLVKDONJSA-N 1 2 231.303 1.167 20 30 BDEDLO Cn1cc(C2=CCC[N@H+](CCC#N)C2)cn1 ZINC000602886138 349793208 /nfs/dbraw/zinc/79/32/08/349793208.db2.gz HKPRRDDBAVHVJO-UHFFFAOYSA-N 1 2 216.288 1.423 20 30 BDEDLO Cn1cc(C2=CCC[N@@H+](CCC#N)C2)cn1 ZINC000602886138 349793211 /nfs/dbraw/zinc/79/32/11/349793211.db2.gz HKPRRDDBAVHVJO-UHFFFAOYSA-N 1 2 216.288 1.423 20 30 BDEDLO CC(C)N(C)C(=O)C1CC[NH+](CCC#N)CC1 ZINC000042147610 343117997 /nfs/dbraw/zinc/11/79/97/343117997.db2.gz HTWVCIXKOLMMCJ-UHFFFAOYSA-N 1 2 237.347 1.479 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602865128 349796774 /nfs/dbraw/zinc/79/67/74/349796774.db2.gz WKCYJGDPBCPRLZ-VXGBXAGGSA-N 1 2 235.331 1.467 20 30 BDEDLO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)on1 ZINC000602864600 349796849 /nfs/dbraw/zinc/79/68/49/349796849.db2.gz SYKVGPDDAOTMJI-IONNQARKSA-N 1 2 236.275 1.202 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000602865154 349796928 /nfs/dbraw/zinc/79/69/28/349796928.db2.gz UBPOUIWMHUVLBV-WDEREUQCSA-N 1 2 223.320 1.279 20 30 BDEDLO C=CCCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640938939 362076882 /nfs/dbraw/zinc/07/68/82/362076882.db2.gz GLXRYLXXVFYUAR-LBPRGKRZSA-N 1 2 236.319 1.295 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000602868265 349799029 /nfs/dbraw/zinc/79/90/29/349799029.db2.gz IQGUQHOARPSPIU-VIFPVBQESA-N 1 2 235.331 1.183 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1nncn1C ZINC000050418842 343152847 /nfs/dbraw/zinc/15/28/47/343152847.db2.gz AVJIAOZZOKNMGV-DTWKUNHWSA-N 1 2 207.281 1.158 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000602868322 349799178 /nfs/dbraw/zinc/79/91/78/349799178.db2.gz AKTGGDJOFDTVNC-VIFPVBQESA-N 1 2 245.286 1.467 20 30 BDEDLO CC(C)(C#N)CC[N@@H+]1CCn2nncc2C1 ZINC000569706886 323037958 /nfs/dbraw/zinc/03/79/58/323037958.db2.gz UQCWXPNXTFRKMW-UHFFFAOYSA-N 1 2 219.292 1.034 20 30 BDEDLO CC(C)(C#N)CC[N@H+]1CCn2nncc2C1 ZINC000569706886 323037959 /nfs/dbraw/zinc/03/79/59/323037959.db2.gz UQCWXPNXTFRKMW-UHFFFAOYSA-N 1 2 219.292 1.034 20 30 BDEDLO C#CCN(CC#C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000084094481 187243628 /nfs/dbraw/zinc/24/36/28/187243628.db2.gz KDSIISNRQRJCHY-UHFFFAOYSA-N 1 2 237.306 1.711 20 30 BDEDLO CN(C)c1ccccc1C[NH+]1CC(O)(CC#N)C1 ZINC000354985064 136277734 /nfs/dbraw/zinc/27/77/34/136277734.db2.gz XWSGPTFPRXZJIZ-UHFFFAOYSA-N 1 2 245.326 1.213 20 30 BDEDLO C#C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC000291731819 136288814 /nfs/dbraw/zinc/28/88/14/136288814.db2.gz NXNWLDBCGJOPPO-NSHDSACASA-N 1 2 233.315 1.425 20 30 BDEDLO C#C[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C(C)(C)C ZINC000291731819 136288815 /nfs/dbraw/zinc/28/88/15/136288815.db2.gz NXNWLDBCGJOPPO-NSHDSACASA-N 1 2 233.315 1.425 20 30 BDEDLO N#CCCCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000291622999 136288827 /nfs/dbraw/zinc/28/88/27/136288827.db2.gz FPLBZFKPGNWMKH-UHFFFAOYSA-N 1 2 246.314 1.529 20 30 BDEDLO COc1ncc(C[NH2+][C@@H](C)CC#N)c(C)n1 ZINC000602871985 349803742 /nfs/dbraw/zinc/80/37/42/349803742.db2.gz ZEIYEPJFEGQRRT-QMMMGPOBSA-N 1 2 220.276 1.185 20 30 BDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CCC#N ZINC000283744683 136287077 /nfs/dbraw/zinc/28/70/77/136287077.db2.gz JDBRATOUOOPCAZ-OLZOCXBDSA-N 1 2 242.326 1.954 20 30 BDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCC#N ZINC000283744683 136287078 /nfs/dbraw/zinc/28/70/78/136287078.db2.gz JDBRATOUOOPCAZ-OLZOCXBDSA-N 1 2 242.326 1.954 20 30 BDEDLO C=Cn1cc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348713161 136293983 /nfs/dbraw/zinc/29/39/83/136293983.db2.gz VSPIJXMIQLNHFK-UHFFFAOYSA-N 1 2 234.278 1.811 20 30 BDEDLO Cc1n[nH]cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348717508 136294631 /nfs/dbraw/zinc/29/46/31/136294631.db2.gz UKEQYAJQNCJNQH-UHFFFAOYSA-N 1 2 222.267 1.546 20 30 BDEDLO CC(C)[C@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584056366 343308491 /nfs/dbraw/zinc/30/84/91/343308491.db2.gz NMVSKOSXDBHNEL-YPMHNXCESA-N 1 2 248.330 1.889 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000192237690 259358785 /nfs/dbraw/zinc/35/87/85/259358785.db2.gz CYKCBRZQHLLWHK-YNEHKIRRSA-N 1 2 236.359 1.492 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000192237690 259358787 /nfs/dbraw/zinc/35/87/87/259358787.db2.gz CYKCBRZQHLLWHK-YNEHKIRRSA-N 1 2 236.359 1.492 20 30 BDEDLO C=CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335695360 136326413 /nfs/dbraw/zinc/32/64/13/136326413.db2.gz GSKQCENAWOXGGR-UHFFFAOYSA-N 1 2 234.303 1.485 20 30 BDEDLO C=CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335695360 136326414 /nfs/dbraw/zinc/32/64/14/136326414.db2.gz GSKQCENAWOXGGR-UHFFFAOYSA-N 1 2 234.303 1.485 20 30 BDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2C[C@H]2C)nn1 ZINC000641079478 362193057 /nfs/dbraw/zinc/19/30/57/362193057.db2.gz FDYJKRNVUCQTJD-GHMZBOCLSA-N 1 2 218.304 1.047 20 30 BDEDLO C=CCCC(=O)NCCCn1cc[nH+]c1 ZINC000102466077 136331919 /nfs/dbraw/zinc/33/19/19/136331919.db2.gz JYIBRXXUGUYKAO-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO CCc1nc(C(=O)NCC2=CC[N@H+](C)CC2)co1 ZINC000330092947 136361707 /nfs/dbraw/zinc/36/17/07/136361707.db2.gz REKKBGISQGHPDR-UHFFFAOYSA-N 1 2 249.314 1.804 20 30 BDEDLO CCc1nc(C(=O)NCC2=CC[N@@H+](C)CC2)co1 ZINC000330092947 136361708 /nfs/dbraw/zinc/36/17/08/136361708.db2.gz REKKBGISQGHPDR-UHFFFAOYSA-N 1 2 249.314 1.804 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)C#N ZINC000350993567 136366298 /nfs/dbraw/zinc/36/62/98/136366298.db2.gz QUPPOYMUWHMZNX-SNVBAGLBSA-N 1 2 249.318 1.121 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1C1CC1 ZINC000351100558 136367489 /nfs/dbraw/zinc/36/74/89/136367489.db2.gz MPYYZHDSQGHRPW-UHFFFAOYSA-N 1 2 207.281 1.016 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnnn1C1CC1 ZINC000351100558 136367490 /nfs/dbraw/zinc/36/74/90/136367490.db2.gz MPYYZHDSQGHRPW-UHFFFAOYSA-N 1 2 207.281 1.016 20 30 BDEDLO CC[C@H](C#N)C(=O)NCCCCn1cc[nH+]c1 ZINC000045109484 343524099 /nfs/dbraw/zinc/52/40/99/343524099.db2.gz NEYNCZUBBNFGSO-LLVKDONJSA-N 1 2 234.303 1.329 20 30 BDEDLO CC1(C)CC[N@H+](CCCC#N)CC[S@@]1=O ZINC000321861819 343618653 /nfs/dbraw/zinc/61/86/53/343618653.db2.gz JBSUOUYRKDJWKX-HNNXBMFYSA-N 1 2 228.361 1.523 20 30 BDEDLO CC1(C)CC[N@@H+](CCCC#N)CC[S@@]1=O ZINC000321861819 343618654 /nfs/dbraw/zinc/61/86/54/343618654.db2.gz JBSUOUYRKDJWKX-HNNXBMFYSA-N 1 2 228.361 1.523 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000154177501 343710883 /nfs/dbraw/zinc/71/08/83/343710883.db2.gz FKZVJAKBTHPWOW-SNVBAGLBSA-N 1 2 219.288 1.090 20 30 BDEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000334341011 343870343 /nfs/dbraw/zinc/87/03/43/343870343.db2.gz IHMCACNTUPJZMP-SECBINFHSA-N 1 2 249.339 1.900 20 30 BDEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000334341011 343870344 /nfs/dbraw/zinc/87/03/44/343870344.db2.gz IHMCACNTUPJZMP-SECBINFHSA-N 1 2 249.339 1.900 20 30 BDEDLO COC1(C)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000334644260 343895757 /nfs/dbraw/zinc/89/57/57/343895757.db2.gz HJTQRGMOKLOLIE-UHFFFAOYSA-N 1 2 222.313 1.840 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000363472803 344134544 /nfs/dbraw/zinc/13/45/44/344134544.db2.gz USJOOSRWMPQPLF-ZDUSSCGKSA-N 1 2 219.284 1.985 20 30 BDEDLO C#CCC[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000363472803 344134545 /nfs/dbraw/zinc/13/45/45/344134545.db2.gz USJOOSRWMPQPLF-ZDUSSCGKSA-N 1 2 219.284 1.985 20 30 BDEDLO C[C@H](CF)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000588851127 344195683 /nfs/dbraw/zinc/19/56/83/344195683.db2.gz HGCXMFUZNYNMOV-MRVPVSSYSA-N 1 2 248.265 1.510 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(N(C)C)s1 ZINC000093475517 344317291 /nfs/dbraw/zinc/31/72/91/344317291.db2.gz JKODCWLSCXBFOB-UHFFFAOYSA-N 1 2 233.340 1.278 20 30 BDEDLO C[N@@H+]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000135482653 344467281 /nfs/dbraw/zinc/46/72/81/344467281.db2.gz ISYUKMJAFIHMDE-JTQLQIEISA-N 1 2 219.288 1.335 20 30 BDEDLO C[N@H+]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000135482653 344467284 /nfs/dbraw/zinc/46/72/84/344467284.db2.gz ISYUKMJAFIHMDE-JTQLQIEISA-N 1 2 219.288 1.335 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)nnn1CC ZINC000580324761 347053278 /nfs/dbraw/zinc/05/32/78/347053278.db2.gz DWBQKINYNVXOOQ-JTQLQIEISA-N 1 2 221.308 1.388 20 30 BDEDLO C=C[C@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OC ZINC000381652342 344530770 /nfs/dbraw/zinc/53/07/70/344530770.db2.gz DHTPNGRIMZLRDO-VIFPVBQESA-N 1 2 233.258 1.882 20 30 BDEDLO CCC[N@@H+](CC#N)CCC(=O)N1CCC[C@H]1C ZINC000075747906 344779062 /nfs/dbraw/zinc/77/90/62/344779062.db2.gz GRVMHPBSLPRAKV-GFCCVEGCSA-N 1 2 237.347 1.623 20 30 BDEDLO CCC[N@H+](CC#N)CCC(=O)N1CCC[C@H]1C ZINC000075747906 344779064 /nfs/dbraw/zinc/77/90/64/344779064.db2.gz GRVMHPBSLPRAKV-GFCCVEGCSA-N 1 2 237.347 1.623 20 30 BDEDLO CC(C)(C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000118724369 534972061 /nfs/dbraw/zinc/97/20/61/534972061.db2.gz JRHUFSJVVADQFN-UHFFFAOYSA-N 1 2 246.314 1.550 20 30 BDEDLO C=C(Cl)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000077791235 344827262 /nfs/dbraw/zinc/82/72/62/344827262.db2.gz OKCCXWHZNOQIAZ-SECBINFHSA-N 1 2 242.710 1.323 20 30 BDEDLO Cc1ccc(NC(=O)CSCC#N)c(C)[nH+]1 ZINC000119235491 344842644 /nfs/dbraw/zinc/84/26/44/344842644.db2.gz MFJSOVGMFZEJJM-UHFFFAOYSA-N 1 2 235.312 1.894 20 30 BDEDLO COc1cc[nH+]c(CN(C)[C@@H](C)CC#N)c1 ZINC000123752075 345014460 /nfs/dbraw/zinc/01/44/60/345014460.db2.gz FLRUXZBUMSJJLI-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO C=CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635070858 345239564 /nfs/dbraw/zinc/23/95/64/345239564.db2.gz VIXGWJADPMVDNR-NSHDSACASA-N 1 2 221.304 1.773 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000136210471 345488059 /nfs/dbraw/zinc/48/80/59/345488059.db2.gz PTUUFHYURJLCQW-PWSUYJOCSA-N 1 2 234.303 1.328 20 30 BDEDLO C=CCCCn1cc[nH+]c1CN1CCOCC1 ZINC000641721704 362638251 /nfs/dbraw/zinc/63/82/51/362638251.db2.gz DOOCWEVMHIBULH-UHFFFAOYSA-N 1 2 235.331 1.682 20 30 BDEDLO N#CC1(C(=O)NCCn2cc[nH+]c2)CC2(CC2)C1 ZINC000600996973 345806272 /nfs/dbraw/zinc/80/62/72/345806272.db2.gz MOJBISMOTONRGC-UHFFFAOYSA-N 1 2 244.298 1.083 20 30 BDEDLO C[N@@H+]1CCO[C@H](CSc2ccc(C#N)cn2)C1 ZINC000400769369 345784607 /nfs/dbraw/zinc/78/46/07/345784607.db2.gz LDUISWQZCYPXCS-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@H](CSc2ccc(C#N)cn2)C1 ZINC000400769369 345784610 /nfs/dbraw/zinc/78/46/10/345784610.db2.gz LDUISWQZCYPXCS-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@@H+]1CCO[C@H](CSc2cccc(C#N)n2)C1 ZINC000400771002 345790243 /nfs/dbraw/zinc/79/02/43/345790243.db2.gz LRRORQZNQIPYJZ-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@H](CSc2cccc(C#N)n2)C1 ZINC000400771002 345790245 /nfs/dbraw/zinc/79/02/45/345790245.db2.gz LRRORQZNQIPYJZ-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000588968164 345836285 /nfs/dbraw/zinc/83/62/85/345836285.db2.gz HVTXMOKIDGFNFB-ONGXEEELSA-N 1 2 214.284 1.331 20 30 BDEDLO CC(C)(C)[C@@H](O)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000588968164 345836286 /nfs/dbraw/zinc/83/62/86/345836286.db2.gz HVTXMOKIDGFNFB-ONGXEEELSA-N 1 2 214.284 1.331 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2S[C@H](C#N)C1CC1 ZINC000601074962 346013853 /nfs/dbraw/zinc/01/38/53/346013853.db2.gz HHJJWQMTKQNOLK-SECBINFHSA-N 1 2 245.311 1.758 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H]1C=CCCC1 ZINC000563220577 323104573 /nfs/dbraw/zinc/10/45/73/323104573.db2.gz RHUPTXDWHXCWTG-TZMCWYRMSA-N 1 2 249.358 1.693 20 30 BDEDLO CC#CC[N@@H+](CC(=O)OC)C1CCCC1 ZINC000167553257 187364262 /nfs/dbraw/zinc/36/42/62/187364262.db2.gz ZATLWXPZANSIII-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO CC#CC[N@H+](CC(=O)OC)C1CCCC1 ZINC000167553257 187364264 /nfs/dbraw/zinc/36/42/64/187364264.db2.gz ZATLWXPZANSIII-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO C[C@H](CC#N)NCc1[nH+]ccn1CC(F)(F)F ZINC000609449303 346076883 /nfs/dbraw/zinc/07/68/83/346076883.db2.gz YCYXRYALZJKXDK-MRVPVSSYSA-N 1 2 246.236 1.837 20 30 BDEDLO CC#CCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635971422 346128434 /nfs/dbraw/zinc/12/84/34/346128434.db2.gz WFOYQIDSGHCOAT-UHFFFAOYSA-N 1 2 241.294 1.738 20 30 BDEDLO C=C(CC)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636007828 346148978 /nfs/dbraw/zinc/14/89/78/346148978.db2.gz ZPIRLNZUCGMQAP-UHFFFAOYSA-N 1 2 221.304 1.597 20 30 BDEDLO Cc1cc(N2C[C@@H](C)N(CC#N)[C@H](C)C2)nc[nH+]1 ZINC000603405396 349944938 /nfs/dbraw/zinc/94/49/38/349944938.db2.gz HZHGOEWHLDOUPX-VXGBXAGGSA-N 1 2 245.330 1.208 20 30 BDEDLO COCC#CC[N@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000616806135 346225152 /nfs/dbraw/zinc/22/51/52/346225152.db2.gz NPMUCRCSUVOYOR-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO COCC#CC[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000616806135 346225156 /nfs/dbraw/zinc/22/51/56/346225156.db2.gz NPMUCRCSUVOYOR-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C)o2)C1=O ZINC000628259164 346259656 /nfs/dbraw/zinc/25/96/56/346259656.db2.gz JIJNEFWRNUCCKM-LBPRGKRZSA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C)o2)C1=O ZINC000628259164 346259660 /nfs/dbraw/zinc/25/96/60/346259660.db2.gz JIJNEFWRNUCCKM-LBPRGKRZSA-N 1 2 249.314 1.202 20 30 BDEDLO C#C[C@H](CC)[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000390431621 259388698 /nfs/dbraw/zinc/38/86/98/259388698.db2.gz AHQWPJVCOJOYSM-NEPJUHHUSA-N 1 2 225.332 1.966 20 30 BDEDLO Cc1nsc(NCc2c[nH+]cn2C)c1C#N ZINC000291144293 346288113 /nfs/dbraw/zinc/28/81/13/346288113.db2.gz OHDOWRRTGSVQBQ-UHFFFAOYSA-N 1 2 233.300 1.669 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636251228 346368588 /nfs/dbraw/zinc/36/85/88/346368588.db2.gz CDWUDESVSKSVHO-QJPTWQEYSA-N 1 2 245.326 1.938 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636251228 346368591 /nfs/dbraw/zinc/36/85/91/346368591.db2.gz CDWUDESVSKSVHO-QJPTWQEYSA-N 1 2 245.326 1.938 20 30 BDEDLO CC[C@H](Nc1cncc(C#N)n1)c1[nH]cc[nH+]1 ZINC000401231941 346502499 /nfs/dbraw/zinc/50/24/99/346502499.db2.gz OBSFPUGRXVBSBD-VIFPVBQESA-N 1 2 228.259 1.635 20 30 BDEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000336764211 259391924 /nfs/dbraw/zinc/39/19/24/259391924.db2.gz MZHJVRZQCVFMRS-GARJFASQSA-N 1 2 229.320 1.365 20 30 BDEDLO C[N@H+](CCCCS(C)(=O)=O)CC(C)(C)C#N ZINC000590123841 346777278 /nfs/dbraw/zinc/77/72/78/346777278.db2.gz WIVMJACAZVGTGT-UHFFFAOYSA-N 1 2 246.376 1.293 20 30 BDEDLO C[N@@H+](CCCCS(C)(=O)=O)CC(C)(C)C#N ZINC000590123841 346777281 /nfs/dbraw/zinc/77/72/81/346777281.db2.gz WIVMJACAZVGTGT-UHFFFAOYSA-N 1 2 246.376 1.293 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1(C#N)CC1 ZINC000590154884 346781969 /nfs/dbraw/zinc/78/19/69/346781969.db2.gz XPZORNCNRISVLE-JTQLQIEISA-N 1 2 232.287 1.082 20 30 BDEDLO CN(C)c1[nH+]cccc1NC(=O)CC1(C#N)CC1 ZINC000590173220 346786951 /nfs/dbraw/zinc/78/69/51/346786951.db2.gz RDZDQYIRXIKKEU-UHFFFAOYSA-N 1 2 244.298 1.780 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000183862984 347139437 /nfs/dbraw/zinc/13/94/37/347139437.db2.gz ZZJOXMKVBKQURL-NSHDSACASA-N 1 2 242.282 1.756 20 30 BDEDLO COc1cc[nH+]c(CN(C)CC#N)c1OC ZINC000188666765 347286407 /nfs/dbraw/zinc/28/64/07/347286407.db2.gz VIQMUNYBZOVTMP-UHFFFAOYSA-N 1 2 221.260 1.054 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756427 347465775 /nfs/dbraw/zinc/46/57/75/347465775.db2.gz RWVFROVOTQNGQE-YUMQZZPRSA-N 1 2 222.210 1.288 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756427 347465777 /nfs/dbraw/zinc/46/57/77/347465777.db2.gz RWVFROVOTQNGQE-YUMQZZPRSA-N 1 2 222.210 1.288 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000590973067 347598963 /nfs/dbraw/zinc/59/89/63/347598963.db2.gz XERGCLJBENRTAM-LMLFDSFASA-N 1 2 209.289 1.492 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C(=O)OC ZINC000591607316 347682326 /nfs/dbraw/zinc/68/23/26/347682326.db2.gz DZLISUCHVNPRJU-SRVKXCTJSA-N 1 2 223.316 1.740 20 30 BDEDLO COCC(=O)Nc1cccc(C[NH2+]CCC#N)c1 ZINC000591725085 347688996 /nfs/dbraw/zinc/68/89/96/347688996.db2.gz AQKJREALKIEYMC-UHFFFAOYSA-N 1 2 247.298 1.275 20 30 BDEDLO Cc1ccc2c(c1)[C@H]([NH2+]CCC#N)CO2 ZINC000591754122 347690672 /nfs/dbraw/zinc/69/06/72/347690672.db2.gz CHGWJIUYNVJLQD-LLVKDONJSA-N 1 2 202.257 1.932 20 30 BDEDLO Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000591821436 347701300 /nfs/dbraw/zinc/70/13/00/347701300.db2.gz XMDXYIMDCYSVID-RYUDHWBXSA-N 1 2 245.326 1.911 20 30 BDEDLO CCC1(CNc2cc(C)[nH+]cc2C#N)COC1 ZINC000591825382 347702095 /nfs/dbraw/zinc/70/20/95/347702095.db2.gz CARULTDCPUKWPJ-UHFFFAOYSA-N 1 2 231.299 1.522 20 30 BDEDLO CCOC(=O)CC[N@H+](C)Cc1ccncc1C#N ZINC000592066954 347726684 /nfs/dbraw/zinc/72/66/84/347726684.db2.gz YFMMLEVCDGNOCL-UHFFFAOYSA-N 1 2 247.298 1.338 20 30 BDEDLO CCOC(=O)CC[N@@H+](C)Cc1ccncc1C#N ZINC000592066954 347726686 /nfs/dbraw/zinc/72/66/86/347726686.db2.gz YFMMLEVCDGNOCL-UHFFFAOYSA-N 1 2 247.298 1.338 20 30 BDEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccn(C)n1 ZINC000592124514 347738075 /nfs/dbraw/zinc/73/80/75/347738075.db2.gz GFOGFGIWFNZCEN-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO COc1ncncc1C[NH2+]CC(C)(C)C#N ZINC000592507496 347792292 /nfs/dbraw/zinc/79/22/92/347792292.db2.gz NRKMANYBMVXBCU-UHFFFAOYSA-N 1 2 220.276 1.125 20 30 BDEDLO CC(C)Cn1nccc1C[NH2+]CC1(C#N)CC1 ZINC000592510631 347792851 /nfs/dbraw/zinc/79/28/51/347792851.db2.gz MZEKYWKINPMNJQ-UHFFFAOYSA-N 1 2 232.331 1.932 20 30 BDEDLO Cc1cncc(CC[N@@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000593016739 347844993 /nfs/dbraw/zinc/84/49/93/347844993.db2.gz DSHKKMIRHYNLSI-LLVKDONJSA-N 1 2 244.342 1.952 20 30 BDEDLO Cc1cncc(CC[N@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000593016739 347844994 /nfs/dbraw/zinc/84/49/94/347844994.db2.gz DSHKKMIRHYNLSI-LLVKDONJSA-N 1 2 244.342 1.952 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118682 347862744 /nfs/dbraw/zinc/86/27/44/347862744.db2.gz RHYKYVCTSFOITJ-PSASIEDQSA-N 1 2 231.242 1.445 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118682 347862745 /nfs/dbraw/zinc/86/27/45/347862745.db2.gz RHYKYVCTSFOITJ-PSASIEDQSA-N 1 2 231.242 1.445 20 30 BDEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000617080126 347876026 /nfs/dbraw/zinc/87/60/26/347876026.db2.gz MFROTTCOGXBGDP-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000617080126 347876028 /nfs/dbraw/zinc/87/60/28/347876028.db2.gz MFROTTCOGXBGDP-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000593736654 347939081 /nfs/dbraw/zinc/93/90/81/347939081.db2.gz DFHZSBOJGFLYFA-OPRDCNLKSA-N 1 2 232.287 1.555 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000593737724 347939339 /nfs/dbraw/zinc/93/93/39/347939339.db2.gz RWFNFMSUTZIPJE-VHSXEESVSA-N 1 2 234.303 1.630 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc(CO)o2)CCCC1 ZINC000593652749 347921364 /nfs/dbraw/zinc/92/13/64/347921364.db2.gz JPILORWMDJJJKX-UHFFFAOYSA-N 1 2 234.299 1.945 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc[nH]n2)CCCC1 ZINC000593653022 347921571 /nfs/dbraw/zinc/92/15/71/347921571.db2.gz WWTPENCNXDDGAP-UHFFFAOYSA-N 1 2 204.277 1.583 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000577409318 365948841 /nfs/dbraw/zinc/94/88/41/365948841.db2.gz UZXRUPKHINGDOX-GXSJLCMTSA-N 1 2 248.330 1.643 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000577409318 365948842 /nfs/dbraw/zinc/94/88/42/365948842.db2.gz UZXRUPKHINGDOX-GXSJLCMTSA-N 1 2 248.330 1.643 20 30 BDEDLO C=CCCSCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000594708649 348103495 /nfs/dbraw/zinc/10/34/95/348103495.db2.gz ARDZIRIWXUDLAF-NSHDSACASA-N 1 2 243.372 1.837 20 30 BDEDLO Cn1ncc(C2CC2)c1C[NH2+]CCC#N ZINC000594733620 348108973 /nfs/dbraw/zinc/10/89/73/348108973.db2.gz ZXRONMOCTNRUDS-UHFFFAOYSA-N 1 2 204.277 1.301 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000594730037 348113589 /nfs/dbraw/zinc/11/35/89/348113589.db2.gz QSZQQRNRPWCEPG-RHYQMDGZSA-N 1 2 223.316 1.740 20 30 BDEDLO COC(=O)c1cc(C[NH2+][C@@H](C)CC#N)c(C)o1 ZINC000594610657 348082429 /nfs/dbraw/zinc/08/24/29/348082429.db2.gz GFFZIGSIMYBHHS-QMMMGPOBSA-N 1 2 236.271 1.766 20 30 BDEDLO CCN1CC[C@@H]([N@H+](CC)C[C@@H](C)C#N)C1=O ZINC000595298023 348216834 /nfs/dbraw/zinc/21/68/34/348216834.db2.gz MZSDSJIAKGWNOE-WDEREUQCSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[C@@H]([N@@H+](CC)C[C@@H](C)C#N)C1=O ZINC000595298023 348216836 /nfs/dbraw/zinc/21/68/36/348216836.db2.gz MZSDSJIAKGWNOE-WDEREUQCSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[C@@H]([N@H+](CC)C[C@H](C)C#N)C1=O ZINC000595298020 348217150 /nfs/dbraw/zinc/21/71/50/348217150.db2.gz MZSDSJIAKGWNOE-GHMZBOCLSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[C@@H]([N@@H+](CC)C[C@H](C)C#N)C1=O ZINC000595298020 348217153 /nfs/dbraw/zinc/21/71/53/348217153.db2.gz MZSDSJIAKGWNOE-GHMZBOCLSA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@@]1(C(N)=O)CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595468357 348258696 /nfs/dbraw/zinc/25/86/96/348258696.db2.gz YQJCUVUNKHKLHQ-TZMCWYRMSA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@@]1(C(N)=O)CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595468357 348258698 /nfs/dbraw/zinc/25/86/98/348258698.db2.gz YQJCUVUNKHKLHQ-TZMCWYRMSA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@@H](C#N)[N@H+](C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC000595709036 348320228 /nfs/dbraw/zinc/32/02/28/348320228.db2.gz BRXICPRPUWRXSW-QWRGUYRKSA-N 1 2 235.331 1.279 20 30 BDEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC000595709036 348320232 /nfs/dbraw/zinc/32/02/32/348320232.db2.gz BRXICPRPUWRXSW-QWRGUYRKSA-N 1 2 235.331 1.279 20 30 BDEDLO C=CCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595770747 348336593 /nfs/dbraw/zinc/33/65/93/348336593.db2.gz UOUSUYSRAAQQMI-LLVKDONJSA-N 1 2 217.284 1.834 20 30 BDEDLO CCCCNC(=O)CC[N@H+](CC)[C@H](C)C#N ZINC000595812920 348352191 /nfs/dbraw/zinc/35/21/91/348352191.db2.gz JRNHQDQGNQASEA-LLVKDONJSA-N 1 2 225.336 1.527 20 30 BDEDLO CCCCNC(=O)CC[N@@H+](CC)[C@H](C)C#N ZINC000595812920 348352196 /nfs/dbraw/zinc/35/21/96/348352196.db2.gz JRNHQDQGNQASEA-LLVKDONJSA-N 1 2 225.336 1.527 20 30 BDEDLO COC(=O)[C@](C)(CCF)[NH2+]CCC(C)(C)C#N ZINC000595776846 348338768 /nfs/dbraw/zinc/33/87/68/348338768.db2.gz VQIDPXXUWUEVHN-LBPRGKRZSA-N 1 2 244.310 1.807 20 30 BDEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834713 348368020 /nfs/dbraw/zinc/36/80/20/348368020.db2.gz NWHJHPYMKQRXRC-OCCSQVGLSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834713 348368022 /nfs/dbraw/zinc/36/80/22/348368022.db2.gz NWHJHPYMKQRXRC-OCCSQVGLSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836020 348370222 /nfs/dbraw/zinc/37/02/22/348370222.db2.gz USHVBEKFUXJATE-TZMCWYRMSA-N 1 2 249.358 1.480 20 30 BDEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836020 348370224 /nfs/dbraw/zinc/37/02/24/348370224.db2.gz USHVBEKFUXJATE-TZMCWYRMSA-N 1 2 249.358 1.480 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836429 348370282 /nfs/dbraw/zinc/37/02/82/348370282.db2.gz ZKBPGUAQOKEHLQ-WCQYABFASA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836429 348370284 /nfs/dbraw/zinc/37/02/84/348370284.db2.gz ZKBPGUAQOKEHLQ-WCQYABFASA-N 1 2 237.347 1.383 20 30 BDEDLO Cn1cc[nH+]c1CN1CC[C@](C)(C#N)C1 ZINC000595840577 348374215 /nfs/dbraw/zinc/37/42/15/348374215.db2.gz QMZGPVKLMSZFMM-LLVKDONJSA-N 1 2 204.277 1.156 20 30 BDEDLO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840632 348374548 /nfs/dbraw/zinc/37/45/48/348374548.db2.gz CFXHTJUPGUJWIP-AAEUAGOBSA-N 1 2 238.331 1.810 20 30 BDEDLO COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840632 348374550 /nfs/dbraw/zinc/37/45/50/348374550.db2.gz CFXHTJUPGUJWIP-AAEUAGOBSA-N 1 2 238.331 1.810 20 30 BDEDLO CCn1cc[nH+]c1CN1CC[C@@](C)(C#N)C1 ZINC000595841015 348375191 /nfs/dbraw/zinc/37/51/91/348375191.db2.gz TYIDPLSKHUZFLO-LBPRGKRZSA-N 1 2 218.304 1.639 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCOCC(F)F)C1 ZINC000595844453 348382323 /nfs/dbraw/zinc/38/23/23/348382323.db2.gz SUECRWZCQWUGDP-SNVBAGLBSA-N 1 2 218.247 1.504 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCOCC(F)F)C1 ZINC000595844453 348382325 /nfs/dbraw/zinc/38/23/25/348382325.db2.gz SUECRWZCQWUGDP-SNVBAGLBSA-N 1 2 218.247 1.504 20 30 BDEDLO C[C@](O)(C[N@@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC000595844523 348382359 /nfs/dbraw/zinc/38/23/59/348382359.db2.gz UNPXNANFXCYJRS-BDAKNGLRSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@](O)(C[N@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC000595844523 348382361 /nfs/dbraw/zinc/38/23/61/348382361.db2.gz UNPXNANFXCYJRS-BDAKNGLRSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1nccn1C ZINC000596069102 348437586 /nfs/dbraw/zinc/43/75/86/348437586.db2.gz JVAOXTHAXGRMNU-GHMZBOCLSA-N 1 2 231.303 1.514 20 30 BDEDLO C[C@@H](NC[C@@H](C#N)CCC#N)c1[nH+]ccn1C ZINC000596069102 348437591 /nfs/dbraw/zinc/43/75/91/348437591.db2.gz JVAOXTHAXGRMNU-GHMZBOCLSA-N 1 2 231.303 1.514 20 30 BDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000051379313 323188877 /nfs/dbraw/zinc/18/88/77/323188877.db2.gz YBZRXKJHOBJBRJ-SNVBAGLBSA-N 1 2 225.292 1.111 20 30 BDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000051379313 323188878 /nfs/dbraw/zinc/18/88/78/323188878.db2.gz YBZRXKJHOBJBRJ-SNVBAGLBSA-N 1 2 225.292 1.111 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C#N)cnn1 ZINC000596258131 348477429 /nfs/dbraw/zinc/47/74/29/348477429.db2.gz UZGRLTLCPCWIGI-SECBINFHSA-N 1 2 242.286 1.160 20 30 BDEDLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)c(C#N)cn1 ZINC000596542594 348583772 /nfs/dbraw/zinc/58/37/72/348583772.db2.gz MGSYNUYKGNQQTL-JTQLQIEISA-N 1 2 241.298 1.590 20 30 BDEDLO C[C@H](Nc1ccc(C#N)cn1)c1[nH+]ccn1C ZINC000596543149 348584394 /nfs/dbraw/zinc/58/43/94/348584394.db2.gz LUCSQKLLKYRCND-VIFPVBQESA-N 1 2 227.271 1.282 20 30 BDEDLO Cc1cc(N2CC[C@H]3COC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000596532541 348569592 /nfs/dbraw/zinc/56/95/92/348569592.db2.gz ZCFWLFJZXUHQQP-AAEUAGOBSA-N 1 2 243.310 1.734 20 30 BDEDLO Cc1cc(N[C@@H]2C[C@@H](O)C23CCC3)c(C#N)c[nH+]1 ZINC000596504618 348570839 /nfs/dbraw/zinc/57/08/39/348570839.db2.gz HXRQNAORLQHTDR-CHWSQXEVSA-N 1 2 243.310 1.399 20 30 BDEDLO N#CCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000597193052 348671674 /nfs/dbraw/zinc/67/16/74/348671674.db2.gz CKVHBRJGYCGPJV-UHFFFAOYSA-N 1 2 231.255 1.940 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000597115506 348663151 /nfs/dbraw/zinc/66/31/51/348663151.db2.gz KLQNTAZFKUFMQA-QWRGUYRKSA-N 1 2 246.314 1.665 20 30 BDEDLO N#CCC1CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000597203116 348677201 /nfs/dbraw/zinc/67/72/01/348677201.db2.gz FPKBFPAXOFCZSV-UHFFFAOYSA-N 1 2 216.288 1.175 20 30 BDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)oc1C ZINC000597203606 348677639 /nfs/dbraw/zinc/67/76/39/348677639.db2.gz MJEBHDNDZGJKAV-UHFFFAOYSA-N 1 2 248.282 1.720 20 30 BDEDLO COc1nccnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597178482 348680561 /nfs/dbraw/zinc/68/05/61/348680561.db2.gz YHZDYCOTOFNGKI-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO COc1nccnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597178482 348680566 /nfs/dbraw/zinc/68/05/66/348680566.db2.gz YHZDYCOTOFNGKI-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO COCCn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597230981 348698425 /nfs/dbraw/zinc/69/84/25/348698425.db2.gz VMEWLAVQJBGGGW-ZDUSSCGKSA-N 1 2 248.330 1.265 20 30 BDEDLO COCCn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597230981 348698427 /nfs/dbraw/zinc/69/84/27/348698427.db2.gz VMEWLAVQJBGGGW-ZDUSSCGKSA-N 1 2 248.330 1.265 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231048 348698554 /nfs/dbraw/zinc/69/85/54/348698554.db2.gz KQFNBFVVUQSCLV-LBPRGKRZSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1cnn(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231048 348698556 /nfs/dbraw/zinc/69/85/56/348698556.db2.gz KQFNBFVVUQSCLV-LBPRGKRZSA-N 1 2 218.304 1.464 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597507356 348746266 /nfs/dbraw/zinc/74/62/66/348746266.db2.gz JGNGXJGYRYFMBX-NXEZZACHSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597507356 348746270 /nfs/dbraw/zinc/74/62/70/348746270.db2.gz JGNGXJGYRYFMBX-NXEZZACHSA-N 1 2 246.314 1.323 20 30 BDEDLO CCN(C(=O)CCc1c[nH+]cn1C)[C@H](C)C#N ZINC000598361819 348947161 /nfs/dbraw/zinc/94/71/61/348947161.db2.gz QKLKCMWFQKNDJB-SNVBAGLBSA-N 1 2 234.303 1.113 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)C#N ZINC000598362644 348948523 /nfs/dbraw/zinc/94/85/23/348948523.db2.gz GVFDZRXTAOMTIC-UWVGGRQHSA-N 1 2 246.314 1.275 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C)C#N ZINC000598362644 348948527 /nfs/dbraw/zinc/94/85/27/348948527.db2.gz GVFDZRXTAOMTIC-UWVGGRQHSA-N 1 2 246.314 1.275 20 30 BDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)C#N ZINC000598364416 348950753 /nfs/dbraw/zinc/95/07/53/348950753.db2.gz OCLLANUOUMGFHT-GMTAPVOTSA-N 1 2 246.314 1.284 20 30 BDEDLO C[C@H](CC(=O)N1CC[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC000598419622 348956977 /nfs/dbraw/zinc/95/69/77/348956977.db2.gz JBSXDAABXKXQFS-YPMHNXCESA-N 1 2 246.314 1.596 20 30 BDEDLO CC(C)(C(=O)N1CC[C@](C)(C#N)C1)c1c[nH+]c[nH]1 ZINC000598416908 348970706 /nfs/dbraw/zinc/97/07/06/348970706.db2.gz HAMXXCRLVJTZFF-CYBMUJFWSA-N 1 2 246.314 1.449 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC1(C)C ZINC000598836456 349052544 /nfs/dbraw/zinc/05/25/44/349052544.db2.gz JNFSMUZDELRRCW-ZWNOBZJWSA-N 1 2 237.347 1.383 20 30 BDEDLO C=C[C@H]([NH2+]CCC1(F)CCC1)C(=O)OC ZINC000308948301 349179541 /nfs/dbraw/zinc/17/95/41/349179541.db2.gz OKZWBFKZNWWTCH-VIFPVBQESA-N 1 2 215.268 1.586 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCCSC1)C(=O)OC ZINC000308937909 349169184 /nfs/dbraw/zinc/16/91/84/349169184.db2.gz 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351991438 /nfs/dbraw/zinc/99/14/38/351991438.db2.gz KVERSJBKPWCQHM-LBPRGKRZSA-N 1 2 234.299 1.963 20 30 BDEDLO NC(=[NH+]OCc1ccc(F)cc1)[C@H]1CCCO1 ZINC000284619192 352001649 /nfs/dbraw/zinc/00/16/49/352001649.db2.gz ZLUZXIPWHYDAMO-LLVKDONJSA-N 1 2 238.262 1.794 20 30 BDEDLO N#Cc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284621453 352001663 /nfs/dbraw/zinc/00/16/63/352001663.db2.gz ZPDSUFBRIKMYHH-GFCCVEGCSA-N 1 2 245.282 1.526 20 30 BDEDLO NC(=[NH+]OCc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000284619195 352001888 /nfs/dbraw/zinc/00/18/88/352001888.db2.gz ZLUZXIPWHYDAMO-NSHDSACASA-N 1 2 238.262 1.794 20 30 BDEDLO CC#CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613320936 363103461 /nfs/dbraw/zinc/10/34/61/363103461.db2.gz QLKKUVXNSKYBPX-SNVBAGLBSA-N 1 2 231.299 1.044 20 30 BDEDLO CC#CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613320936 363103465 /nfs/dbraw/zinc/10/34/65/363103465.db2.gz QLKKUVXNSKYBPX-SNVBAGLBSA-N 1 2 231.299 1.044 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1occc1C(=O)OC ZINC000286101444 352077048 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/nfs/dbraw/zinc/04/39/32/188043932.db2.gz MAFWLOZTWUZVPI-UHFFFAOYSA-N 1 2 221.308 1.406 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nnnn1C1CC1 ZINC000044070103 188043933 /nfs/dbraw/zinc/04/39/33/188043933.db2.gz MAFWLOZTWUZVPI-UHFFFAOYSA-N 1 2 221.308 1.406 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609522526 353163719 /nfs/dbraw/zinc/16/37/19/353163719.db2.gz VPXWQOATBRWSTP-LLVKDONJSA-N 1 2 234.303 1.328 20 30 BDEDLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000331123131 353220729 /nfs/dbraw/zinc/22/07/29/353220729.db2.gz AHOLPJARVXVEOQ-GXSJLCMTSA-N 1 2 218.304 1.938 20 30 BDEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000331123131 353220733 /nfs/dbraw/zinc/22/07/33/353220733.db2.gz AHOLPJARVXVEOQ-GXSJLCMTSA-N 1 2 218.304 1.938 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000252030557 353296496 /nfs/dbraw/zinc/29/64/96/353296496.db2.gz ZEMMCFQZCMVLDK-OUAUKWLOSA-N 1 2 225.336 1.381 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000252030557 353296499 /nfs/dbraw/zinc/29/64/99/353296499.db2.gz ZEMMCFQZCMVLDK-OUAUKWLOSA-N 1 2 225.336 1.381 20 30 BDEDLO C[C@@]([NH2+]CC1(C#N)CC1)(C(N)=O)c1ccccc1 ZINC000343303378 353487554 /nfs/dbraw/zinc/48/75/54/353487554.db2.gz JWUCABQVHSESSP-ZDUSSCGKSA-N 1 2 243.310 1.280 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000192218927 353536980 /nfs/dbraw/zinc/53/69/80/353536980.db2.gz FLAASRPHELUXRL-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000192218927 353536982 /nfs/dbraw/zinc/53/69/82/353536982.db2.gz FLAASRPHELUXRL-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C=CC[N@@H+](C)Cc1oncc1C(=O)OC ZINC000285458153 353542502 /nfs/dbraw/zinc/54/25/02/353542502.db2.gz YPBZIFCYQGITRU-UHFFFAOYSA-N 1 2 210.233 1.079 20 30 BDEDLO C=CC[N@H+](C)Cc1oncc1C(=O)OC ZINC000285458153 353542503 /nfs/dbraw/zinc/54/25/03/353542503.db2.gz YPBZIFCYQGITRU-UHFFFAOYSA-N 1 2 210.233 1.079 20 30 BDEDLO CC#CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000283413260 353500156 /nfs/dbraw/zinc/50/01/56/353500156.db2.gz CDXWMBPEBVQVMT-UHFFFAOYSA-N 1 2 247.342 1.707 20 30 BDEDLO C=CC[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000183432943 353550428 /nfs/dbraw/zinc/55/04/28/353550428.db2.gz AUTUCCPENAXVOI-LLVKDONJSA-N 1 2 235.287 1.449 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(CC)[nH]1 ZINC000286350316 353559593 /nfs/dbraw/zinc/55/95/93/353559593.db2.gz XVENVKFSPZUDRT-UHFFFAOYSA-N 1 2 206.293 1.211 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(CC)[nH]1 ZINC000286350316 353559595 /nfs/dbraw/zinc/55/95/95/353559595.db2.gz XVENVKFSPZUDRT-UHFFFAOYSA-N 1 2 206.293 1.211 20 30 BDEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1nncn1C ZINC000287213418 353573214 /nfs/dbraw/zinc/57/32/14/353573214.db2.gz IRCOUWPJMCYSNW-JTQLQIEISA-N 1 2 208.309 1.774 20 30 BDEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1nncn1C ZINC000287213418 353573216 /nfs/dbraw/zinc/57/32/16/353573216.db2.gz IRCOUWPJMCYSNW-JTQLQIEISA-N 1 2 208.309 1.774 20 30 BDEDLO C#Cc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000289890752 353641799 /nfs/dbraw/zinc/64/17/99/353641799.db2.gz XBCQZRLJAQSDBO-LLVKDONJSA-N 1 2 240.310 1.647 20 30 BDEDLO C#C[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C(C)(C)C ZINC000291731816 353698380 /nfs/dbraw/zinc/69/83/80/353698380.db2.gz NXNWLDBCGJOPPO-LLVKDONJSA-N 1 2 233.315 1.425 20 30 BDEDLO C=CCSCCNc1nc(C)[nH+]cc1C ZINC000580346176 353786046 /nfs/dbraw/zinc/78/60/46/353786046.db2.gz YANMBFPXZMKHBZ-UHFFFAOYSA-N 1 2 223.345 1.846 20 30 BDEDLO C=CC[NH+](CC=C)Cc1ccnc(OC)n1 ZINC000294624049 353786603 /nfs/dbraw/zinc/78/66/03/353786603.db2.gz YVIYGFGNZNYXIV-UHFFFAOYSA-N 1 2 219.288 1.659 20 30 BDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)CC1(C#N)CC1 ZINC000343581546 353938783 /nfs/dbraw/zinc/93/87/83/353938783.db2.gz IKTNRNJPJIXYDN-SSDOTTSWSA-N 1 2 222.210 1.145 20 30 BDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)CC1(C#N)CC1 ZINC000343581546 353938786 /nfs/dbraw/zinc/93/87/86/353938786.db2.gz IKTNRNJPJIXYDN-SSDOTTSWSA-N 1 2 222.210 1.145 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000343906937 354036418 /nfs/dbraw/zinc/03/64/18/354036418.db2.gz JHRGCEKSHPHNTI-SECBINFHSA-N 1 2 207.277 1.628 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000343906937 354036423 /nfs/dbraw/zinc/03/64/23/354036423.db2.gz JHRGCEKSHPHNTI-SECBINFHSA-N 1 2 207.277 1.628 20 30 BDEDLO N#Cc1ccc(NCc2ccn3cc[nH+]c3c2)nc1 ZINC000354378091 181097378 /nfs/dbraw/zinc/09/73/78/181097378.db2.gz DLUZDPFDTGOGKD-UHFFFAOYSA-N 1 2 249.277 1.635 20 30 BDEDLO N#Cc1ccc(CN2CCn3cc[nH+]c3C2)s1 ZINC000336471692 181105224 /nfs/dbraw/zinc/10/52/24/181105224.db2.gz PLMSCXIARCGYJQ-UHFFFAOYSA-N 1 2 244.323 1.832 20 30 BDEDLO N#Cc1ccc(NCCn2cc[nH+]c2)cn1 ZINC000122451049 181122380 /nfs/dbraw/zinc/12/23/80/181122380.db2.gz HJFRYZNQMZIQPJ-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncnn1C ZINC000334659736 354456887 /nfs/dbraw/zinc/45/68/87/354456887.db2.gz SJTSTCZQAZXTIZ-JTQLQIEISA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncnn1C ZINC000334659736 354456892 /nfs/dbraw/zinc/45/68/92/354456892.db2.gz SJTSTCZQAZXTIZ-JTQLQIEISA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)C[C@H]1CCCO1 ZINC000301050989 363394596 /nfs/dbraw/zinc/39/45/96/363394596.db2.gz TTZSAJRWUHXKAK-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)C[C@H]1CCCO1 ZINC000301050989 363394601 /nfs/dbraw/zinc/39/46/01/363394601.db2.gz TTZSAJRWUHXKAK-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)OC ZINC000301051182 363394840 /nfs/dbraw/zinc/39/48/40/363394840.db2.gz UCSOGPFGSXKHPK-UWVGGRQHSA-N 1 2 211.305 1.882 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)C(=O)OC ZINC000301051792 363396281 /nfs/dbraw/zinc/39/62/81/363396281.db2.gz UZVUAEYVHYBVSX-MXWKQRLJSA-N 1 2 211.305 1.740 20 30 BDEDLO Cc1cccn2c(CN3CC(C)(C#N)C3)c[nH+]c12 ZINC000335169788 354932943 /nfs/dbraw/zinc/93/29/43/354932943.db2.gz OKXDTRHOANNCQA-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C)o1 ZINC000335184381 355082571 /nfs/dbraw/zinc/08/25/71/355082571.db2.gz YQLZAJQZYDJKOZ-JTQLQIEISA-N 1 2 207.277 1.919 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C)o1 ZINC000335184381 355082576 /nfs/dbraw/zinc/08/25/76/355082576.db2.gz YQLZAJQZYDJKOZ-JTQLQIEISA-N 1 2 207.277 1.919 20 30 BDEDLO CC(C)C[N@@H+]1CC(=O)NC12CCC(C)(C#N)CC2 ZINC000335247027 355162201 /nfs/dbraw/zinc/16/22/01/355162201.db2.gz VNYMCVSZBFVCGB-UHFFFAOYSA-N 1 2 249.358 1.874 20 30 BDEDLO CC(C)C[N@H+]1CC(=O)NC12CCC(C)(C#N)CC2 ZINC000335247027 355162203 /nfs/dbraw/zinc/16/22/03/355162203.db2.gz VNYMCVSZBFVCGB-UHFFFAOYSA-N 1 2 249.358 1.874 20 30 BDEDLO C=CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000346850646 355138105 /nfs/dbraw/zinc/13/81/05/355138105.db2.gz UZNLDYDGMSQKBW-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO C=C[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413182403 191361217 /nfs/dbraw/zinc/36/12/17/191361217.db2.gz GLHVUSWLOXHSAS-DTWKUNHWSA-N 1 2 222.292 1.256 20 30 BDEDLO C=C[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413182403 191361221 /nfs/dbraw/zinc/36/12/21/191361221.db2.gz GLHVUSWLOXHSAS-DTWKUNHWSA-N 1 2 222.292 1.256 20 30 BDEDLO NC(CCO)=[NH+]OCc1c(F)cccc1F ZINC000186788341 181182646 /nfs/dbraw/zinc/18/26/46/181182646.db2.gz IZAGSWIJHFDANQ-UHFFFAOYSA-N 1 2 230.214 1.136 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)OCC ZINC000191076846 355302676 /nfs/dbraw/zinc/30/26/76/355302676.db2.gz ICXLHSWGBAPYCT-SNVBAGLBSA-N 1 2 215.293 1.072 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)OCC ZINC000191076846 355302680 /nfs/dbraw/zinc/30/26/80/355302680.db2.gz ICXLHSWGBAPYCT-SNVBAGLBSA-N 1 2 215.293 1.072 20 30 BDEDLO C=CC[NH+](CC=C)CCCS(C)(=O)=O ZINC000103226330 355363187 /nfs/dbraw/zinc/36/31/87/355363187.db2.gz QJVLTXDODRSHLC-UHFFFAOYSA-N 1 2 217.334 1.095 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000583518948 355384736 /nfs/dbraw/zinc/38/47/36/355384736.db2.gz RVSWUFLLVSMGAE-NSHDSACASA-N 1 2 233.315 1.530 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1ccsc1 ZINC000352031591 134045110 /nfs/dbraw/zinc/04/51/10/134045110.db2.gz FZGCFBFQXWPWHN-ZYHUDNBSSA-N 1 2 249.339 1.815 20 30 BDEDLO C#CCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106509493 355777517 /nfs/dbraw/zinc/77/75/17/355777517.db2.gz QWPOBQBCEKKXEN-JTQLQIEISA-N 1 2 232.287 1.280 20 30 BDEDLO C#CCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106509490 355777540 /nfs/dbraw/zinc/77/75/40/355777540.db2.gz QWPOBQBCEKKXEN-SNVBAGLBSA-N 1 2 232.287 1.280 20 30 BDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251693 355877867 /nfs/dbraw/zinc/87/78/67/355877867.db2.gz FOWZRHZNNMPMIN-ZDUSSCGKSA-N 1 2 228.295 1.357 20 30 BDEDLO C#CC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251693 355877871 /nfs/dbraw/zinc/87/78/71/355877871.db2.gz FOWZRHZNNMPMIN-ZDUSSCGKSA-N 1 2 228.295 1.357 20 30 BDEDLO C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329230819 355906077 /nfs/dbraw/zinc/90/60/77/355906077.db2.gz KEOWIXBDMIVPOH-JFGNBEQYSA-N 1 2 249.314 1.579 20 30 BDEDLO CN(CC1CC1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329536917 355928682 /nfs/dbraw/zinc/92/86/82/355928682.db2.gz BHCOFHHKMBIOSO-JTQLQIEISA-N 1 2 248.330 1.523 20 30 BDEDLO CN(CC1CC1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329536917 355928690 /nfs/dbraw/zinc/92/86/90/355928690.db2.gz BHCOFHHKMBIOSO-JTQLQIEISA-N 1 2 248.330 1.523 20 30 BDEDLO Cc1noc([C@H]2CC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000329055702 355891956 /nfs/dbraw/zinc/89/19/56/355891956.db2.gz SLNUSGXDWZBRID-JTQLQIEISA-N 1 2 232.287 1.471 20 30 BDEDLO Cc1noc([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000329055702 355891961 /nfs/dbraw/zinc/89/19/61/355891961.db2.gz SLNUSGXDWZBRID-JTQLQIEISA-N 1 2 232.287 1.471 20 30 BDEDLO C=CC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749978 355971645 /nfs/dbraw/zinc/97/16/45/355971645.db2.gz PACYZIMBMVNDCW-YUMQZZPRSA-N 1 2 209.211 1.824 20 30 BDEDLO C=CC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749978 355971647 /nfs/dbraw/zinc/97/16/47/355971647.db2.gz PACYZIMBMVNDCW-YUMQZZPRSA-N 1 2 209.211 1.824 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261246 356144547 /nfs/dbraw/zinc/14/45/47/356144547.db2.gz HVXNFTLDXCLVRD-GHMZBOCLSA-N 1 2 233.315 1.526 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330218864 356186201 /nfs/dbraw/zinc/18/62/01/356186201.db2.gz JSRBZZJALKTURE-ZYHUDNBSSA-N 1 2 249.314 1.890 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C#N)ccn1 ZINC000049236046 356389381 /nfs/dbraw/zinc/38/93/81/356389381.db2.gz SXHSJCZNYGBZIU-SNVBAGLBSA-N 1 2 227.271 1.650 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccn1 ZINC000639596761 356515845 /nfs/dbraw/zinc/51/58/45/356515845.db2.gz ZZBCCUBHKBGNPK-UHFFFAOYSA-N 1 2 205.261 1.138 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccn1 ZINC000639596761 356515850 /nfs/dbraw/zinc/51/58/50/356515850.db2.gz ZZBCCUBHKBGNPK-UHFFFAOYSA-N 1 2 205.261 1.138 20 30 BDEDLO N#Cc1nccn1Cc1cn2ccccc2[nH+]1 ZINC000094939665 363533057 /nfs/dbraw/zinc/53/30/57/363533057.db2.gz FPCZOLQSURWTBD-UHFFFAOYSA-N 1 2 223.239 1.451 20 30 BDEDLO N#CC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000609875621 356621409 /nfs/dbraw/zinc/62/14/09/356621409.db2.gz WECBWUKTNVSKTK-UHFFFAOYSA-N 1 2 240.266 1.967 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNc1cccc(C#N)n1 ZINC000609893040 356649408 /nfs/dbraw/zinc/64/94/08/356649408.db2.gz ZCMFHQKFACYJFA-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNc1cccc(C#N)n1 ZINC000609893040 356649409 /nfs/dbraw/zinc/64/94/09/356649409.db2.gz ZCMFHQKFACYJFA-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C=CC[C@@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000034504270 356702506 /nfs/dbraw/zinc/70/25/06/356702506.db2.gz PDBOLUBNEPQKMU-GFCCVEGCSA-N 1 2 219.284 1.894 20 30 BDEDLO Cc1ncc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354018323 134166293 /nfs/dbraw/zinc/16/62/93/134166293.db2.gz PIHGOTXDMCVVMQ-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1ncc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354018323 134166294 /nfs/dbraw/zinc/16/62/94/134166294.db2.gz PIHGOTXDMCVVMQ-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1nocc1C[N@@H+](C)CC(C)(C)C#N ZINC000354040212 134166718 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369790082 /nfs/dbraw/zinc/79/00/82/369790082.db2.gz JADJFZWNQKVUDA-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1OCC[N@H+](Cc2cccc(C#N)n2)[C@H]1C ZINC000602468553 369791462 /nfs/dbraw/zinc/79/14/62/369791462.db2.gz MPFBKGLMUOEION-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@H]1OCC[N@@H+](Cc2cccc(C#N)n2)[C@H]1C ZINC000602468553 369791465 /nfs/dbraw/zinc/79/14/65/369791465.db2.gz MPFBKGLMUOEION-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000602896871 369861053 /nfs/dbraw/zinc/86/10/53/369861053.db2.gz KGFRKPDRNGGRAW-ZDUSSCGKSA-N 1 2 232.283 1.363 20 30 BDEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000602896871 369861056 /nfs/dbraw/zinc/86/10/56/369861056.db2.gz KGFRKPDRNGGRAW-ZDUSSCGKSA-N 1 2 232.283 1.363 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603091343 369883049 /nfs/dbraw/zinc/88/30/49/369883049.db2.gz WZWIMEHCVUOELZ-AAEUAGOBSA-N 1 2 248.713 1.778 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 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169241193 /nfs/dbraw/zinc/24/11/93/169241193.db2.gz PKOZVDCMQGRRFQ-SNVBAGLBSA-N 1 2 211.309 1.137 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)C ZINC000298528342 383914103 /nfs/dbraw/zinc/91/41/03/383914103.db2.gz LZSWPAJZJPUZEU-CYBMUJFWSA-N 1 2 244.338 1.599 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)C ZINC000298528342 383914112 /nfs/dbraw/zinc/91/41/12/383914112.db2.gz LZSWPAJZJPUZEU-CYBMUJFWSA-N 1 2 244.338 1.599 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000298856522 384024009 /nfs/dbraw/zinc/02/40/09/384024009.db2.gz IVNJGUNXLHCTNV-QPUJVOFHSA-N 1 2 209.742 1.438 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000298856522 384024014 /nfs/dbraw/zinc/02/40/14/384024014.db2.gz IVNJGUNXLHCTNV-QPUJVOFHSA-N 1 2 209.742 1.438 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(C(C)=O)no1 ZINC000569496262 384126331 /nfs/dbraw/zinc/12/63/31/384126331.db2.gz RGTWBEQLWXZLSW-UHFFFAOYSA-N 1 2 238.287 1.512 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(C(C)=O)no1 ZINC000569496262 384126333 /nfs/dbraw/zinc/12/63/33/384126333.db2.gz RGTWBEQLWXZLSW-UHFFFAOYSA-N 1 2 238.287 1.512 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)C1(C#N)CCCC1 ZINC000071140261 384152487 /nfs/dbraw/zinc/15/24/87/384152487.db2.gz DIKIKOFBAXOTTC-UHFFFAOYSA-N 1 2 232.287 1.120 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)o1 ZINC000310441084 384321339 /nfs/dbraw/zinc/32/13/39/384321339.db2.gz SKGRCNSGJKCHDT-UHFFFAOYSA-N 1 2 230.227 1.147 20 30 BDEDLO N#Cc1nccn1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000335447192 384289334 /nfs/dbraw/zinc/28/93/34/384289334.db2.gz NONSHMNIMGIPCY-XYPYZODXSA-N 1 2 218.304 1.520 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000335761025 384372417 /nfs/dbraw/zinc/37/24/17/384372417.db2.gz MCFUDCMUSIYDHT-JTQLQIEISA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000335761025 384372426 /nfs/dbraw/zinc/37/24/26/384372426.db2.gz MCFUDCMUSIYDHT-JTQLQIEISA-N 1 2 234.274 1.918 20 30 BDEDLO Cc1noc([C@H](C)[N@H+](C)CCCC#N)n1 ZINC000566418190 384422664 /nfs/dbraw/zinc/42/26/64/384422664.db2.gz BWTCKSSSAFKTAZ-QMMMGPOBSA-N 1 2 208.265 1.675 20 30 BDEDLO Cc1noc([C@H](C)[N@@H+](C)CCCC#N)n1 ZINC000566418190 384422672 /nfs/dbraw/zinc/42/26/72/384422672.db2.gz BWTCKSSSAFKTAZ-QMMMGPOBSA-N 1 2 208.265 1.675 20 30 BDEDLO Cn1cc[nH+]c1CN(CCC#N)Cc1ccco1 ZINC000078667226 384456495 /nfs/dbraw/zinc/45/64/95/384456495.db2.gz AMFHUWCGZQCBGO-UHFFFAOYSA-N 1 2 244.298 1.929 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000491393616 384674573 /nfs/dbraw/zinc/67/45/73/384674573.db2.gz IVURBRRSCFDQKC-JTQLQIEISA-N 1 2 219.288 1.260 20 30 BDEDLO Cn1c[nH+]cc1CNc1cccc(C#N)n1 ZINC000309609634 384639553 /nfs/dbraw/zinc/63/95/53/384639553.db2.gz ZBUPYEXMPAJUQC-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000491792706 384732348 /nfs/dbraw/zinc/73/23/48/384732348.db2.gz HAZVUJDAZHXKPU-NWDGAFQWSA-N 1 2 245.326 1.364 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000083218494 384750814 /nfs/dbraw/zinc/75/08/14/384750814.db2.gz SZNGFENJYHDVIG-UHFFFAOYSA-N 1 2 249.270 1.819 20 30 BDEDLO C[N@H+](CCC#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000083218494 384750816 /nfs/dbraw/zinc/75/08/16/384750816.db2.gz SZNGFENJYHDVIG-UHFFFAOYSA-N 1 2 249.270 1.819 20 30 BDEDLO C[N@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000312898128 384870670 /nfs/dbraw/zinc/87/06/70/384870670.db2.gz UMQSSNGJQSKQEP-UHFFFAOYSA-N 1 2 212.684 1.382 20 30 BDEDLO C[N@@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000312898128 384870673 /nfs/dbraw/zinc/87/06/73/384870673.db2.gz UMQSSNGJQSKQEP-UHFFFAOYSA-N 1 2 212.684 1.382 20 30 BDEDLO C#CCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000491503919 385055518 /nfs/dbraw/zinc/05/55/18/385055518.db2.gz FOGSYKVXBOOSAR-UHFFFAOYSA-N 1 2 200.245 1.336 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](CC)C(N)=O ZINC000298053744 385075960 /nfs/dbraw/zinc/07/59/60/385075960.db2.gz IAQVODVSHFWFCB-ZDUSSCGKSA-N 1 2 248.301 1.525 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](CC)C(N)=O ZINC000298053744 385075968 /nfs/dbraw/zinc/07/59/68/385075968.db2.gz IAQVODVSHFWFCB-ZDUSSCGKSA-N 1 2 248.301 1.525 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000085148845 385038438 /nfs/dbraw/zinc/03/84/38/385038438.db2.gz KLNLMGBWOHBTQG-CYBMUJFWSA-N 1 2 234.274 1.654 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000085148845 385038443 /nfs/dbraw/zinc/03/84/43/385038443.db2.gz KLNLMGBWOHBTQG-CYBMUJFWSA-N 1 2 234.274 1.654 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2C#C)cc1 ZINC000491543544 385133190 /nfs/dbraw/zinc/13/31/90/385133190.db2.gz HADZOWRGRHFMIN-HNNXBMFYSA-N 1 2 225.291 1.502 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C#C)cc1 ZINC000491543544 385133196 /nfs/dbraw/zinc/13/31/96/385133196.db2.gz HADZOWRGRHFMIN-HNNXBMFYSA-N 1 2 225.291 1.502 20 30 BDEDLO CC#CCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000360448125 385160677 /nfs/dbraw/zinc/16/06/77/385160677.db2.gz OWGUZESPMRHGKC-MJVIPROJSA-N 1 2 213.346 1.241 20 30 BDEDLO CC#CCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000360448125 385160681 /nfs/dbraw/zinc/16/06/81/385160681.db2.gz OWGUZESPMRHGKC-MJVIPROJSA-N 1 2 213.346 1.241 20 30 BDEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000308857480 385217733 /nfs/dbraw/zinc/21/77/33/385217733.db2.gz SWMGUSBILWXMII-ZJUUUORDSA-N 1 2 204.277 1.582 20 30 BDEDLO CC#CCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000165873040 385203874 /nfs/dbraw/zinc/20/38/74/385203874.db2.gz PYZJSQTZOBVIHM-UHFFFAOYSA-N 1 2 220.247 1.794 20 30 BDEDLO CC#CC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000157982549 385308612 /nfs/dbraw/zinc/30/86/12/385308612.db2.gz IVWYLWSQKDWOQB-AWEZNQCLSA-N 1 2 242.322 1.747 20 30 BDEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000157982549 385308616 /nfs/dbraw/zinc/30/86/16/385308616.db2.gz IVWYLWSQKDWOQB-AWEZNQCLSA-N 1 2 242.322 1.747 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000491315710 385340868 /nfs/dbraw/zinc/34/08/68/385340868.db2.gz PTZKRVXNXIUVII-NWDGAFQWSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1F ZINC000491652161 385354838 /nfs/dbraw/zinc/35/48/38/385354838.db2.gz AEYVVNRHQGNFGQ-SNVBAGLBSA-N 1 2 234.274 1.718 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000491652161 385354840 /nfs/dbraw/zinc/35/48/40/385354840.db2.gz AEYVVNRHQGNFGQ-SNVBAGLBSA-N 1 2 234.274 1.718 20 30 BDEDLO COC(=O)c1coc(C[NH+]2CCC(C#N)CC2)c1 ZINC000171036407 385464563 /nfs/dbraw/zinc/46/45/63/385464563.db2.gz VGPKYIMKBGFQIF-UHFFFAOYSA-N 1 2 248.282 1.802 20 30 BDEDLO C#CCNN=C(C)C[NH+]1Cc2ccccc2C1 ZINC000491703185 385568651 /nfs/dbraw/zinc/56/86/51/385568651.db2.gz ADGVWICLDTZBPI-UHFFFAOYSA-N 1 2 227.311 1.601 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493561851 533132020 /nfs/dbraw/zinc/13/20/20/533132020.db2.gz TXXHEXAGBNOCTI-TYRPZCRBSA-N 1 2 218.260 1.041 20 30 BDEDLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)CC1 ZINC000408201078 385632221 /nfs/dbraw/zinc/63/22/21/385632221.db2.gz GKWRDQGFLUYOQH-SNVBAGLBSA-N 1 2 238.331 1.952 20 30 BDEDLO CCN(CCC[N@H+](CC)[C@@H](C)C#N)[C@H](C)C#N ZINC000595821669 385638950 /nfs/dbraw/zinc/63/89/50/385638950.db2.gz YVONOAQXVGGIPK-BETUJISGSA-N 1 2 236.363 1.844 20 30 BDEDLO CCN(CCC[N@@H+](CC)[C@@H](C)C#N)[C@H](C)C#N ZINC000595821669 385638953 /nfs/dbraw/zinc/63/89/53/385638953.db2.gz YVONOAQXVGGIPK-BETUJISGSA-N 1 2 236.363 1.844 20 30 BDEDLO CCN(CCC[N@H+](CC)[C@H](C)C#N)[C@@H](C)C#N ZINC000595821669 385638956 /nfs/dbraw/zinc/63/89/56/385638956.db2.gz YVONOAQXVGGIPK-BETUJISGSA-N 1 2 236.363 1.844 20 30 BDEDLO CCN(CCC[N@@H+](CC)[C@H](C)C#N)[C@@H](C)C#N ZINC000595821669 385638959 /nfs/dbraw/zinc/63/89/59/385638959.db2.gz YVONOAQXVGGIPK-BETUJISGSA-N 1 2 236.363 1.844 20 30 BDEDLO C#C[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000491740649 385753640 /nfs/dbraw/zinc/75/36/40/385753640.db2.gz QWEXZXDAYHARIG-GFCCVEGCSA-N 1 2 245.326 1.900 20 30 BDEDLO C[N@H+](CCC#N)CCc1cccc([N+](=O)[O-])c1 ZINC000282372941 385755264 /nfs/dbraw/zinc/75/52/64/385755264.db2.gz FJCGCCMOEAUSAE-UHFFFAOYSA-N 1 2 233.271 1.983 20 30 BDEDLO C[N@@H+](CCC#N)CCc1cccc([N+](=O)[O-])c1 ZINC000282372941 385755269 /nfs/dbraw/zinc/75/52/69/385755269.db2.gz FJCGCCMOEAUSAE-UHFFFAOYSA-N 1 2 233.271 1.983 20 30 BDEDLO C[C@H]([NH2+]Cc1ncnn1C)c1cccc(C#N)c1 ZINC000181985963 385968086 /nfs/dbraw/zinc/96/80/86/385968086.db2.gz IGQFUAYBGVTIHT-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C#CC[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC000273420223 533156207 /nfs/dbraw/zinc/15/62/07/533156207.db2.gz YTPPLTXUIDTLMW-UHFFFAOYSA-N 1 2 240.310 1.017 20 30 BDEDLO COc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000234988372 386124599 /nfs/dbraw/zinc/12/45/99/386124599.db2.gz SSNGRMYJWGXLBD-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000234988372 386124607 /nfs/dbraw/zinc/12/46/07/386124607.db2.gz SSNGRMYJWGXLBD-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO C=CCOCCC[N@H+]1CCN(C(=O)CC)C1 ZINC000425513179 386288731 /nfs/dbraw/zinc/28/87/31/386288731.db2.gz OLROTPFNGWFZCG-UHFFFAOYSA-N 1 2 226.320 1.091 20 30 BDEDLO C=CCOCCC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425513179 386288733 /nfs/dbraw/zinc/28/87/33/386288733.db2.gz OLROTPFNGWFZCG-UHFFFAOYSA-N 1 2 226.320 1.091 20 30 BDEDLO CC[C@@](C)(C(=O)OC)[N@H+](CCC#N)CC1CC1 ZINC000425518179 386309230 /nfs/dbraw/zinc/30/92/30/386309230.db2.gz YCZQPJCZBXYMFI-ZDUSSCGKSA-N 1 2 238.331 1.954 20 30 BDEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CCC#N)CC1CC1 ZINC000425518179 386309233 /nfs/dbraw/zinc/30/92/33/386309233.db2.gz YCZQPJCZBXYMFI-ZDUSSCGKSA-N 1 2 238.331 1.954 20 30 BDEDLO CCC(=O)N1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000425517707 386309395 /nfs/dbraw/zinc/30/93/95/386309395.db2.gz LTGLUGDMWQYIKP-UHFFFAOYSA-N 1 2 223.320 1.438 20 30 BDEDLO CCC(=O)N1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000425517707 386309401 /nfs/dbraw/zinc/30/94/01/386309401.db2.gz LTGLUGDMWQYIKP-UHFFFAOYSA-N 1 2 223.320 1.438 20 30 BDEDLO Cc1cc(NCC2(O)CCCCC2)c(C#N)c[nH+]1 ZINC000398982389 386319451 /nfs/dbraw/zinc/31/94/51/386319451.db2.gz FPZSLYIUUHSFGT-UHFFFAOYSA-N 1 2 245.326 1.791 20 30 BDEDLO C=CCCCNC(=O)CCc1c[nH+]cn1C ZINC000280773549 386372833 /nfs/dbraw/zinc/37/28/33/386372833.db2.gz MWZGAEOXRLDEIX-UHFFFAOYSA-N 1 2 221.304 1.435 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000645403477 386443472 /nfs/dbraw/zinc/44/34/72/386443472.db2.gz BXZXVLXXIYYFPG-LLVKDONJSA-N 1 2 247.342 1.382 20 30 BDEDLO CCC[C@@H]1C[N@H+](CC2(C#N)CC2)CCO1 ZINC000347420459 386396238 /nfs/dbraw/zinc/39/62/38/386396238.db2.gz DKULHFATDOVUTK-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO CCC[C@@H]1C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000347420459 386396244 /nfs/dbraw/zinc/39/62/44/386396244.db2.gz DKULHFATDOVUTK-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO Cc1cc(N[C@H]2CCC[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000399001954 386504424 /nfs/dbraw/zinc/50/44/24/386504424.db2.gz UAZRJHUVKXFJNX-YPMHNXCESA-N 1 2 245.326 1.647 20 30 BDEDLO CCOC(=O)CCCNc1cc(C)[nH+]cc1C#N ZINC000399222553 386509347 /nfs/dbraw/zinc/50/93/47/386509347.db2.gz CMVIYGKGJRERNY-UHFFFAOYSA-N 1 2 247.298 1.439 20 30 BDEDLO CN(C)C(=O)Nc1cccc(C[NH2+]CCC#N)c1 ZINC000519698034 386530653 /nfs/dbraw/zinc/53/06/53/386530653.db2.gz KRXRSJWEVBKVHR-UHFFFAOYSA-N 1 2 246.314 1.783 20 30 BDEDLO O=C(NCC[NH+]1CCC1)[C@H]1CCCc2[nH]ncc21 ZINC000328837606 386629619 /nfs/dbraw/zinc/62/96/19/386629619.db2.gz TUXCOPNCADPOLR-JTQLQIEISA-N 1 2 248.330 1.492 20 30 BDEDLO C=CCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290964810 386609281 /nfs/dbraw/zinc/60/92/81/386609281.db2.gz SDQIQRXJCCHLRU-UHFFFAOYSA-N 1 2 205.261 1.192 20 30 BDEDLO Cc1ccc(N(C)Cc2[nH]cc[nH+]2)nc1C#N ZINC000428122744 386663974 /nfs/dbraw/zinc/66/39/74/386663974.db2.gz USMGYQXPKDOFIE-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO COCC#CC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000645024276 386676114 /nfs/dbraw/zinc/67/61/14/386676114.db2.gz MFIOVROAXIVJDH-CYBMUJFWSA-N 1 2 249.314 1.243 20 30 BDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366556147 533185761 /nfs/dbraw/zinc/18/57/61/533185761.db2.gz GCZCLDWOLKVCMJ-LSDHHAIUSA-N 1 2 243.306 1.672 20 30 BDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366556147 533185767 /nfs/dbraw/zinc/18/57/67/533185767.db2.gz GCZCLDWOLKVCMJ-LSDHHAIUSA-N 1 2 243.306 1.672 20 30 BDEDLO C=CCOCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000645088913 386711974 /nfs/dbraw/zinc/71/19/74/386711974.db2.gz WQKSVMHUSMAYGJ-SECBINFHSA-N 1 2 239.237 1.452 20 30 BDEDLO C=CCOCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000645088913 386711981 /nfs/dbraw/zinc/71/19/81/386711981.db2.gz WQKSVMHUSMAYGJ-SECBINFHSA-N 1 2 239.237 1.452 20 30 BDEDLO Cc1[nH]c(C(=O)NCC[C@H](O)C(C)C)c[nH+]1 ZINC000330444660 386738701 /nfs/dbraw/zinc/73/87/01/386738701.db2.gz GMCSBMXFQQSJEI-JTQLQIEISA-N 1 2 225.292 1.430 20 30 BDEDLO Cc1cc(NC[C@@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000399371778 386758689 /nfs/dbraw/zinc/75/86/89/386758689.db2.gz KUBXDUOARYKXEA-NSHDSACASA-N 1 2 231.299 1.522 20 30 BDEDLO CC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000047726197 386823204 /nfs/dbraw/zinc/82/32/04/386823204.db2.gz ROBMZCHJDRYKRW-UHFFFAOYSA-N 1 2 235.262 1.005 20 30 BDEDLO CC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000047726197 386823214 /nfs/dbraw/zinc/82/32/14/386823214.db2.gz ROBMZCHJDRYKRW-UHFFFAOYSA-N 1 2 235.262 1.005 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc[nH]c1 ZINC000330688556 386829623 /nfs/dbraw/zinc/82/96/23/386829623.db2.gz UZJGBCANUDEQER-SNVBAGLBSA-N 1 2 237.303 1.040 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc[nH]c1 ZINC000330688556 386829630 /nfs/dbraw/zinc/82/96/30/386829630.db2.gz UZJGBCANUDEQER-SNVBAGLBSA-N 1 2 237.303 1.040 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c[nH]nc1C(C)(C)C ZINC000093475544 386834583 /nfs/dbraw/zinc/83/45/83/386834583.db2.gz IBNXVIBAASBRMM-UHFFFAOYSA-N 1 2 229.327 1.776 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334784170 386842716 /nfs/dbraw/zinc/84/27/16/386842716.db2.gz IRPOJVYTHAPYDC-UHFFFAOYSA-N 1 2 246.314 1.665 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334784170 386842717 /nfs/dbraw/zinc/84/27/17/386842717.db2.gz IRPOJVYTHAPYDC-UHFFFAOYSA-N 1 2 246.314 1.665 20 30 BDEDLO Cc1cc(N2CCCO[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399528489 386957353 /nfs/dbraw/zinc/95/73/53/386957353.db2.gz QZSDORCFMNDIST-NSHDSACASA-N 1 2 231.299 1.877 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NCC1(C#N)CCC1 ZINC000334898714 386973459 /nfs/dbraw/zinc/97/34/59/386973459.db2.gz RCURGKIUEVXMAP-UHFFFAOYSA-N 1 2 244.298 1.627 20 30 BDEDLO CNC(=O)[C@@H](C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000399532070 386977397 /nfs/dbraw/zinc/97/73/97/386977397.db2.gz SITFYYQSMKNTOT-VIFPVBQESA-N 1 2 246.314 1.080 20 30 BDEDLO Cc1cc(NCC2(C)CCOCC2)c(C#N)c[nH+]1 ZINC000399541094 386991873 /nfs/dbraw/zinc/99/18/73/386991873.db2.gz YULBWVSPOKAACR-UHFFFAOYSA-N 1 2 245.326 1.912 20 30 BDEDLO Cc1cc(N2CCOC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399592355 387032625 /nfs/dbraw/zinc/03/26/25/387032625.db2.gz VUGOPCPBGUMOSW-SNVBAGLBSA-N 1 2 231.299 1.734 20 30 BDEDLO COC(=O)[C@@H](C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000399605530 387036555 /nfs/dbraw/zinc/03/65/55/387036555.db2.gz WOJFNYBRYNAGMA-VIFPVBQESA-N 1 2 247.298 1.507 20 30 BDEDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399608082 387038551 /nfs/dbraw/zinc/03/85/51/387038551.db2.gz XHFCINRKWKEKAK-SNVBAGLBSA-N 1 2 245.282 1.261 20 30 BDEDLO Cc1cc(NC[C@H]2CCO[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399567051 387015372 /nfs/dbraw/zinc/01/53/72/387015372.db2.gz IOKXYIPUQCHSJW-RYUDHWBXSA-N 1 2 245.326 1.911 20 30 BDEDLO Cc1cc(NC[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000399430018 387098921 /nfs/dbraw/zinc/09/89/21/387098921.db2.gz HVBBGXIIZLWOCO-JTQLQIEISA-N 1 2 217.272 1.132 20 30 BDEDLO CCOC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057872221 387144707 /nfs/dbraw/zinc/14/47/07/387144707.db2.gz KBNUUSNCFNJTQT-VIFPVBQESA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)c1occc1C[NH2+]CC1(C#N)CCC1 ZINC000418143820 387168062 /nfs/dbraw/zinc/16/80/62/387168062.db2.gz RGKIEIKOQJZKAP-UHFFFAOYSA-N 1 2 248.282 1.850 20 30 BDEDLO CCOC(=O)C(C)(C)[NH2+]CCCSCC#N ZINC000072519503 387175795 /nfs/dbraw/zinc/17/57/95/387175795.db2.gz KYPKUOFZRDCGSY-UHFFFAOYSA-N 1 2 244.360 1.565 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000424582973 387186258 /nfs/dbraw/zinc/18/62/58/387186258.db2.gz KJHYVOWOFJLJJG-UHFFFAOYSA-N 1 2 221.304 1.602 20 30 BDEDLO CNC(=O)c1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000161883724 387281095 /nfs/dbraw/zinc/28/10/95/387281095.db2.gz GHYOAKCMNFSJTN-NSHDSACASA-N 1 2 245.326 1.780 20 30 BDEDLO CNC(=O)c1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000161883724 387281097 /nfs/dbraw/zinc/28/10/97/387281097.db2.gz GHYOAKCMNFSJTN-NSHDSACASA-N 1 2 245.326 1.780 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191207046 387353835 /nfs/dbraw/zinc/35/38/35/387353835.db2.gz GMVCSWXUPUKYDC-LBPRGKRZSA-N 1 2 247.298 1.034 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191207046 387353841 /nfs/dbraw/zinc/35/38/41/387353841.db2.gz GMVCSWXUPUKYDC-LBPRGKRZSA-N 1 2 247.298 1.034 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2nccs2)cc1C#N ZINC000191387321 387386343 /nfs/dbraw/zinc/38/63/43/387386343.db2.gz DSUXTAKPCPEAMI-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2nccs2)cc1C#N ZINC000191387321 387386345 /nfs/dbraw/zinc/38/63/45/387386345.db2.gz DSUXTAKPCPEAMI-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO C#CCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000277154289 387530670 /nfs/dbraw/zinc/53/06/70/387530670.db2.gz DGNKQLRPWSTTPZ-UHFFFAOYSA-N 1 2 245.326 1.567 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274271841 387465670 /nfs/dbraw/zinc/46/56/70/387465670.db2.gz HTXOMJPPUHJORD-RYUDHWBXSA-N 1 2 235.331 1.990 20 30 BDEDLO C=C[C@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422198771 387585344 /nfs/dbraw/zinc/58/53/44/387585344.db2.gz CTCMOJOGYRGXNX-GFCCVEGCSA-N 1 2 249.314 1.045 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1ncccc1C#N ZINC000268960083 387614379 /nfs/dbraw/zinc/61/43/79/387614379.db2.gz KUJJFAGGWQKFRM-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO N#C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527534073 387627202 /nfs/dbraw/zinc/62/72/02/387627202.db2.gz FBHGBOIYNIDYPW-LLVKDONJSA-N 1 2 232.287 1.035 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000376973085 387684151 /nfs/dbraw/zinc/68/41/51/387684151.db2.gz FWUPNTBMDPRBAV-SECBINFHSA-N 1 2 246.314 1.323 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000376973085 387684161 /nfs/dbraw/zinc/68/41/61/387684161.db2.gz FWUPNTBMDPRBAV-SECBINFHSA-N 1 2 246.314 1.323 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccccc1 ZINC000424140786 387700839 /nfs/dbraw/zinc/70/08/39/387700839.db2.gz SXIABWQAIJUQAS-CYBMUJFWSA-N 1 2 233.315 1.305 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccccc1 ZINC000424140786 387700842 /nfs/dbraw/zinc/70/08/42/387700842.db2.gz SXIABWQAIJUQAS-CYBMUJFWSA-N 1 2 233.315 1.305 20 30 BDEDLO C[N@H+](CC#Cc1ccccc1Cl)CC(N)=O ZINC000441174385 387730353 /nfs/dbraw/zinc/73/03/53/387730353.db2.gz PBQBYROUKNFWNM-UHFFFAOYSA-N 1 2 236.702 1.109 20 30 BDEDLO C[N@@H+](CC#Cc1ccccc1Cl)CC(N)=O ZINC000441174385 387730362 /nfs/dbraw/zinc/73/03/62/387730362.db2.gz PBQBYROUKNFWNM-UHFFFAOYSA-N 1 2 236.702 1.109 20 30 BDEDLO C=C(C)COCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422992089 387799513 /nfs/dbraw/zinc/79/95/13/387799513.db2.gz QQUOQKPFLGVWLJ-NWDGAFQWSA-N 1 2 212.337 1.167 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000050048286 387830259 /nfs/dbraw/zinc/83/02/59/387830259.db2.gz RUXCEPDJASPZMR-ZDUSSCGKSA-N 1 2 244.294 1.696 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000050048286 387830264 /nfs/dbraw/zinc/83/02/64/387830264.db2.gz RUXCEPDJASPZMR-ZDUSSCGKSA-N 1 2 244.294 1.696 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccco2)nn1 ZINC000424167706 387857028 /nfs/dbraw/zinc/85/70/28/387857028.db2.gz DKGLBDCFISEKFN-UHFFFAOYSA-N 1 2 218.260 1.347 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccsc2)nn1 ZINC000424176572 387885340 /nfs/dbraw/zinc/88/53/40/387885340.db2.gz YAXZJJWGCCJYJU-UHFFFAOYSA-N 1 2 234.328 1.815 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cn1 ZINC000042338290 388087582 /nfs/dbraw/zinc/08/75/82/388087582.db2.gz APYQADDPSZEDMI-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C=CC(C)(C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000456120278 388179465 /nfs/dbraw/zinc/17/94/65/388179465.db2.gz UJOPSOLLVDRKJZ-UHFFFAOYSA-N 1 2 221.304 1.589 20 30 BDEDLO C=CC(C)(C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000456120278 388179467 /nfs/dbraw/zinc/17/94/67/388179467.db2.gz UJOPSOLLVDRKJZ-UHFFFAOYSA-N 1 2 221.304 1.589 20 30 BDEDLO C=C(C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000454617723 388126020 /nfs/dbraw/zinc/12/60/20/388126020.db2.gz LVSBQNMWUQOBDG-UHFFFAOYSA-N 1 2 222.292 1.149 20 30 BDEDLO CC(C)[N@H+](Cc1ccnc(C#N)c1)C1COC1 ZINC000590745638 388129471 /nfs/dbraw/zinc/12/94/71/388129471.db2.gz PURMOASERWFFIQ-UHFFFAOYSA-N 1 2 231.299 1.562 20 30 BDEDLO CC(C)[N@@H+](Cc1ccnc(C#N)c1)C1COC1 ZINC000590745638 388129474 /nfs/dbraw/zinc/12/94/74/388129474.db2.gz PURMOASERWFFIQ-UHFFFAOYSA-N 1 2 231.299 1.562 20 30 BDEDLO C=CCn1cccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000488946143 388199991 /nfs/dbraw/zinc/19/99/91/388199991.db2.gz CXQGCCGVRDGEJU-UHFFFAOYSA-N 1 2 230.271 1.327 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456828342 388225720 /nfs/dbraw/zinc/22/57/20/388225720.db2.gz BNSRHROXPSQBHM-CQSZACIVSA-N 1 2 248.326 1.642 20 30 BDEDLO C#CC(C)(C)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000491375620 388289847 /nfs/dbraw/zinc/28/98/47/388289847.db2.gz WWWTZLHMONIWRK-BQYQJAHWSA-N 1 2 231.299 1.444 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000491381420 388290323 /nfs/dbraw/zinc/29/03/23/388290323.db2.gz DXDSAVYXLDBVRS-WCQYABFASA-N 1 2 245.326 1.220 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)[C@H](C)C(=O)OCCCC ZINC000491404927 388292604 /nfs/dbraw/zinc/29/26/04/388292604.db2.gz FNPPNRYIPDASPP-WDEREUQCSA-N 1 2 211.305 1.672 20 30 BDEDLO C#C[C@H](C)[N@H+](C)[C@H](C)C(=O)OCCCC ZINC000491404927 388292605 /nfs/dbraw/zinc/29/26/05/388292605.db2.gz FNPPNRYIPDASPP-WDEREUQCSA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)C1CC1 ZINC000491420512 388293196 /nfs/dbraw/zinc/29/31/96/388293196.db2.gz YGIKHOKTONMBKD-UHFFFAOYSA-N 1 2 231.299 1.342 20 30 BDEDLO C#CC[N@@H+](CCC(=C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491440703 388294864 /nfs/dbraw/zinc/29/48/64/388294864.db2.gz QVLPWYGRNUTGGK-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CCC(=C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491440703 388294865 /nfs/dbraw/zinc/29/48/65/388294865.db2.gz QVLPWYGRNUTGGK-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)CCC(C)C ZINC000491515267 388300397 /nfs/dbraw/zinc/30/03/97/388300397.db2.gz MSTMHNHEMOCDOW-CHWSQXEVSA-N 1 2 225.332 1.118 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)CCC(C)C ZINC000491515267 388300399 /nfs/dbraw/zinc/30/03/99/388300399.db2.gz MSTMHNHEMOCDOW-CHWSQXEVSA-N 1 2 225.332 1.118 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC#Cc1ccccc1 ZINC000491513784 388300521 /nfs/dbraw/zinc/30/05/21/388300521.db2.gz DYQJUYYDXMZGEB-UHFFFAOYSA-N 1 2 221.303 1.997 20 30 BDEDLO C#CC[N@H+](CC#CC)CC#Cc1ccccc1 ZINC000491513784 388300523 /nfs/dbraw/zinc/30/05/23/388300523.db2.gz DYQJUYYDXMZGEB-UHFFFAOYSA-N 1 2 221.303 1.997 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000491536587 388301769 /nfs/dbraw/zinc/30/17/69/388301769.db2.gz KXGUMXFSYFGOAW-AVGNSLFASA-N 1 2 234.343 1.689 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000491536587 388301771 /nfs/dbraw/zinc/30/17/71/388301771.db2.gz KXGUMXFSYFGOAW-AVGNSLFASA-N 1 2 234.343 1.689 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000491635231 388306921 /nfs/dbraw/zinc/30/69/21/388306921.db2.gz VYIZVVOFFLTUJI-QWRGUYRKSA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000491635231 388306922 /nfs/dbraw/zinc/30/69/22/388306922.db2.gz VYIZVVOFFLTUJI-QWRGUYRKSA-N 1 2 229.270 1.756 20 30 BDEDLO C#CCN(C(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000491681012 388310387 /nfs/dbraw/zinc/31/03/87/388310387.db2.gz LKPNHLKKDPJHTF-UHFFFAOYSA-N 1 2 231.299 1.288 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000491695276 388311893 /nfs/dbraw/zinc/31/18/93/388311893.db2.gz MLPNJLJOBGFNBJ-GJZGRUSLSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000491695276 388311894 /nfs/dbraw/zinc/31/18/94/388311894.db2.gz MLPNJLJOBGFNBJ-GJZGRUSLSA-N 1 2 245.322 1.708 20 30 BDEDLO C#CC[N@@H+](CCO)Cc1cccnc1Cl ZINC000491747511 388317432 /nfs/dbraw/zinc/31/74/32/388317432.db2.gz RRISPSZAVGCHNU-UHFFFAOYSA-N 1 2 224.691 1.163 20 30 BDEDLO C#CC[N@H+](CCO)Cc1cccnc1Cl ZINC000491747511 388317433 /nfs/dbraw/zinc/31/74/33/388317433.db2.gz RRISPSZAVGCHNU-UHFFFAOYSA-N 1 2 224.691 1.163 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000491809847 388322759 /nfs/dbraw/zinc/32/27/59/388322759.db2.gz YBDKLZJSUNSJOA-SNVBAGLBSA-N 1 2 218.304 1.142 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000491809847 388322760 /nfs/dbraw/zinc/32/27/60/388322760.db2.gz YBDKLZJSUNSJOA-SNVBAGLBSA-N 1 2 218.304 1.142 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000491818388 388323640 /nfs/dbraw/zinc/32/36/40/388323640.db2.gz YFZWRUNVBRCNST-NSHDSACASA-N 1 2 241.294 1.405 20 30 BDEDLO N#Cc1ccc(CC[NH+]2CCS(=O)CC2)cc1 ZINC000595314791 388381585 /nfs/dbraw/zinc/38/15/85/388381585.db2.gz AQPGLOKBUJHYNV-UHFFFAOYSA-N 1 2 248.351 1.165 20 30 BDEDLO C=CCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492257631 388339494 /nfs/dbraw/zinc/33/94/94/388339494.db2.gz FQKPPPYMWWLIOL-WAYWQWQTSA-N 1 2 205.261 1.218 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(Br)no1 ZINC000307107929 388420790 /nfs/dbraw/zinc/42/07/90/388420790.db2.gz ZRBURAWKAWHLBO-UHFFFAOYSA-N 1 2 229.077 1.502 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(Br)no1 ZINC000307107929 388420793 /nfs/dbraw/zinc/42/07/93/388420793.db2.gz ZRBURAWKAWHLBO-UHFFFAOYSA-N 1 2 229.077 1.502 20 30 BDEDLO CC[C@H](C)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000070217462 388434388 /nfs/dbraw/zinc/43/43/88/388434388.db2.gz XZVWHVZACAIARR-JTQLQIEISA-N 1 2 223.320 1.137 20 30 BDEDLO CCC(C#N)(CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000528564721 388546793 /nfs/dbraw/zinc/54/67/93/388546793.db2.gz GZNAEOVOMZZIBC-UHFFFAOYSA-N 1 2 246.314 1.596 20 30 BDEDLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356385519 388607644 /nfs/dbraw/zinc/60/76/44/388607644.db2.gz FGNNHZLMFLFMSF-RKDXNWHRSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356385519 388607646 /nfs/dbraw/zinc/60/76/46/388607646.db2.gz FGNNHZLMFLFMSF-RKDXNWHRSA-N 1 2 237.328 1.217 20 30 BDEDLO N#CCC[N@@H+](CC(=O)NC1CCCC1)CC1CC1 ZINC000081043788 388565902 /nfs/dbraw/zinc/56/59/02/388565902.db2.gz GGNUDEVSKVCLOF-UHFFFAOYSA-N 1 2 249.358 1.671 20 30 BDEDLO N#CCC[N@H+](CC(=O)NC1CCCC1)CC1CC1 ZINC000081043788 388565905 /nfs/dbraw/zinc/56/59/05/388565905.db2.gz GGNUDEVSKVCLOF-UHFFFAOYSA-N 1 2 249.358 1.671 20 30 BDEDLO CC1(C)COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000521455576 388672891 /nfs/dbraw/zinc/67/28/91/388672891.db2.gz KXASSQVEXZORII-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO CC1(C)COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000521455576 388672894 /nfs/dbraw/zinc/67/28/94/388672894.db2.gz KXASSQVEXZORII-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000192223020 388677015 /nfs/dbraw/zinc/67/70/15/388677015.db2.gz OXOBEZCYZUGQHC-UHFFFAOYSA-N 1 2 235.283 1.694 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000192223020 388677017 /nfs/dbraw/zinc/67/70/17/388677017.db2.gz OXOBEZCYZUGQHC-UHFFFAOYSA-N 1 2 235.283 1.694 20 30 BDEDLO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)n(C)n1 ZINC000551373703 388628116 /nfs/dbraw/zinc/62/81/16/388628116.db2.gz VTGADKZOBXYKNS-LLVKDONJSA-N 1 2 231.303 1.262 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000602943159 388646650 /nfs/dbraw/zinc/64/66/50/388646650.db2.gz PMSHTVOVLPBSLR-UHFFFAOYSA-N 1 2 241.298 1.617 20 30 BDEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000602943159 388646651 /nfs/dbraw/zinc/64/66/51/388646651.db2.gz PMSHTVOVLPBSLR-UHFFFAOYSA-N 1 2 241.298 1.617 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cccc(C#N)n1 ZINC000080117849 388706157 /nfs/dbraw/zinc/70/61/57/388706157.db2.gz SAUIQKIFMAYDFC-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000193994565 388720491 /nfs/dbraw/zinc/72/04/91/388720491.db2.gz QBGIDAJDRICIQN-UHFFFAOYSA-N 1 2 236.702 1.844 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000193994565 388720493 /nfs/dbraw/zinc/72/04/93/388720493.db2.gz QBGIDAJDRICIQN-UHFFFAOYSA-N 1 2 236.702 1.844 20 30 BDEDLO C#CC[N@@H+](CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000066538578 388720633 /nfs/dbraw/zinc/72/06/33/388720633.db2.gz BUIONGXKNLKAFL-GFCCVEGCSA-N 1 2 243.372 1.155 20 30 BDEDLO C#CC[N@H+](CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000066538578 388720634 /nfs/dbraw/zinc/72/06/34/388720634.db2.gz BUIONGXKNLKAFL-GFCCVEGCSA-N 1 2 243.372 1.155 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ncon2)C1 ZINC000555335200 388847552 /nfs/dbraw/zinc/84/75/52/388847552.db2.gz AYWOZTBCPWMGBX-MXWKQRLJSA-N 1 2 232.287 1.899 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ncon2)C1 ZINC000555335200 388847555 /nfs/dbraw/zinc/84/75/55/388847555.db2.gz AYWOZTBCPWMGBX-MXWKQRLJSA-N 1 2 232.287 1.899 20 30 BDEDLO CC#CC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273089168 389038073 /nfs/dbraw/zinc/03/80/73/389038073.db2.gz JIICRYUJWKWBFD-NSHDSACASA-N 1 2 225.238 1.611 20 30 BDEDLO C[C@H](CCCC#N)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001172494618 974844669 /nfs/dbraw/zinc/84/46/69/974844669.db2.gz WKDWTDBKIOZGTJ-ZJUUUORDSA-N 1 2 232.274 1.771 20 30 BDEDLO C[C@H](CCCC#N)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001172494618 974844672 /nfs/dbraw/zinc/84/46/72/974844672.db2.gz WKDWTDBKIOZGTJ-ZJUUUORDSA-N 1 2 232.274 1.771 20 30 BDEDLO C#Cc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000289757666 533342256 /nfs/dbraw/zinc/34/22/56/533342256.db2.gz QFKRMIPOIGJDFV-UHFFFAOYSA-N 1 2 225.238 1.385 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533547734 322830208 /nfs/dbraw/zinc/83/02/08/322830208.db2.gz KRCNNGMEHFSXHT-GHMZBOCLSA-N 1 2 246.314 1.254 20 30 BDEDLO C=CCC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000340147093 133560020 /nfs/dbraw/zinc/56/00/20/133560020.db2.gz OZXHQKKSSRHAPP-UHFFFAOYSA-N 1 2 221.304 1.671 20 30 BDEDLO CC[N@@H+](Cc1cnc(C)nc1)C[C@H](C)C#N ZINC000351860837 133987252 /nfs/dbraw/zinc/98/72/52/133987252.db2.gz QLXHELJPRFUJLG-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1cnc(C)nc1)C[C@H](C)C#N ZINC000351860837 133987253 /nfs/dbraw/zinc/98/72/53/133987253.db2.gz QLXHELJPRFUJLG-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1[nH]c(C(=O)NC[C@@H]2CCCC2=O)c[nH+]1 ZINC000330039641 133994341 /nfs/dbraw/zinc/99/43/41/133994341.db2.gz BAYSVSKGDSTQIE-QMMMGPOBSA-N 1 2 221.260 1.392 20 30 BDEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330292252 134000227 /nfs/dbraw/zinc/00/02/27/134000227.db2.gz DECKRUWOGCVKMK-VIFPVBQESA-N 1 2 245.286 1.234 20 30 BDEDLO C[C@@H]1C[NH+](CCC(C)(C)C#N)C[C@@H](C)S1=O ZINC000335962007 134026829 /nfs/dbraw/zinc/02/68/29/134026829.db2.gz XLBFZLFKMWOMBN-GHMZBOCLSA-N 1 2 242.388 1.768 20 30 BDEDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1CC1(C#N)CC1 ZINC000351992103 134031262 /nfs/dbraw/zinc/03/12/62/134031262.db2.gz BLKGRZMRIFHJPT-QWHCGFSZSA-N 1 2 249.358 1.085 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@H]2C2CC2)n1 ZINC000336216186 134136809 /nfs/dbraw/zinc/13/68/09/134136809.db2.gz HUBOFPZKCICZSR-JTQLQIEISA-N 1 2 219.313 1.999 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@H]2C2CC2)n1 ZINC000336216186 134136810 /nfs/dbraw/zinc/13/68/10/134136810.db2.gz HUBOFPZKCICZSR-JTQLQIEISA-N 1 2 219.313 1.999 20 30 BDEDLO COc1ncccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352449195 134145479 /nfs/dbraw/zinc/14/54/79/134145479.db2.gz LQLOTXXZVRGFFZ-UHFFFAOYSA-N 1 2 249.289 1.918 20 30 BDEDLO C=CCN(CCOC)C(=O)CCc1[nH]cc[nH+]1 ZINC000357170687 134182259 /nfs/dbraw/zinc/18/22/59/134182259.db2.gz YXZKAODDBLZCJG-UHFFFAOYSA-N 1 2 237.303 1.003 20 30 BDEDLO CN(C)C(=O)CC1CC[NH+](CCC#N)CC1 ZINC000358054486 134186495 /nfs/dbraw/zinc/18/64/95/134186495.db2.gz CFUSNIFMWXUSBA-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1c1nncn1CC(C)C ZINC000363058833 134215093 /nfs/dbraw/zinc/21/50/93/134215093.db2.gz XESMAMCKRWUDED-LBPRGKRZSA-N 1 2 232.331 1.704 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1c1nncn1CC(C)C ZINC000363058833 134215094 /nfs/dbraw/zinc/21/50/94/134215094.db2.gz XESMAMCKRWUDED-LBPRGKRZSA-N 1 2 232.331 1.704 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000368585032 134219152 /nfs/dbraw/zinc/21/91/52/134219152.db2.gz XEIXLEXJUJHGEW-LLVKDONJSA-N 1 2 245.326 1.623 20 30 BDEDLO CC[C@H]1C[N@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000369537100 134222748 /nfs/dbraw/zinc/22/27/48/134222748.db2.gz NJWNWWNHRDAVPW-STQMWFEESA-N 1 2 238.331 1.560 20 30 BDEDLO CC[C@H]1C[N@@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000369537100 134222749 /nfs/dbraw/zinc/22/27/49/134222749.db2.gz NJWNWWNHRDAVPW-STQMWFEESA-N 1 2 238.331 1.560 20 30 BDEDLO C=CCN1CC[N@H+](CC=C)[C@@H](c2cnn(C)c2)C1 ZINC000371746691 134229284 /nfs/dbraw/zinc/22/92/84/134229284.db2.gz LIKGFLGMYCMLTF-CQSZACIVSA-N 1 2 246.358 1.451 20 30 BDEDLO C=CCN1CC[N@@H+](CC=C)[C@@H](c2cnn(C)c2)C1 ZINC000371746691 134229285 /nfs/dbraw/zinc/22/92/85/134229285.db2.gz LIKGFLGMYCMLTF-CQSZACIVSA-N 1 2 246.358 1.451 20 30 BDEDLO C=CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372440195 134231452 /nfs/dbraw/zinc/23/14/52/134231452.db2.gz PEBPOLUXCPLJST-JTQLQIEISA-N 1 2 247.342 1.940 20 30 BDEDLO C=CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372440195 134231453 /nfs/dbraw/zinc/23/14/53/134231453.db2.gz PEBPOLUXCPLJST-JTQLQIEISA-N 1 2 247.342 1.940 20 30 BDEDLO C=CCCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374367380 134236789 /nfs/dbraw/zinc/23/67/89/134236789.db2.gz VQSLNQYPCVFCFT-CYBMUJFWSA-N 1 2 245.326 1.521 20 30 BDEDLO C#CC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374570658 134237386 /nfs/dbraw/zinc/23/73/86/134237386.db2.gz CLNUVMGAARUXPV-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO C#CC[N@H+]1CCOc2cccc(F)c2C1 ZINC000374570658 134237387 /nfs/dbraw/zinc/23/73/87/134237387.db2.gz CLNUVMGAARUXPV-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO C#CC[N@H+]1CCOc2c(F)cccc2C1 ZINC000375918767 134241373 /nfs/dbraw/zinc/24/13/73/134241373.db2.gz KWCNVQUTJLSQRD-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO C#CC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000375918767 134241374 /nfs/dbraw/zinc/24/13/74/134241374.db2.gz KWCNVQUTJLSQRD-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO Cc1nnc([C@H]2C[N@H+](CCCCC#N)CCO2)[nH]1 ZINC000173666091 134275815 /nfs/dbraw/zinc/27/58/15/134275815.db2.gz XOLHHAWLAHNXEH-LLVKDONJSA-N 1 2 249.318 1.180 20 30 BDEDLO Cc1nnc([C@H]2C[N@@H+](CCCCC#N)CCO2)[nH]1 ZINC000173666091 134275816 /nfs/dbraw/zinc/27/58/16/134275816.db2.gz XOLHHAWLAHNXEH-LLVKDONJSA-N 1 2 249.318 1.180 20 30 BDEDLO N#C[C@@H]1COCCN1Cc1c[nH+]c2ccccn12 ZINC000177330851 134299530 /nfs/dbraw/zinc/29/95/30/134299530.db2.gz UPYTYXSSKFRRRB-LLVKDONJSA-N 1 2 242.282 1.059 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000183059659 134350710 /nfs/dbraw/zinc/35/07/10/134350710.db2.gz BJCNJPKRNHRPSA-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000184938349 134371535 /nfs/dbraw/zinc/37/15/35/134371535.db2.gz OZURXGVMSBLPKS-LBPRGKRZSA-N 1 2 240.347 1.037 20 30 BDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccco1 ZINC000053094874 134386261 /nfs/dbraw/zinc/38/62/61/134386261.db2.gz DSAYFBIQNQSKBL-LLVKDONJSA-N 1 2 249.314 1.472 20 30 BDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccco1 ZINC000053094874 134386262 /nfs/dbraw/zinc/38/62/62/134386262.db2.gz DSAYFBIQNQSKBL-LLVKDONJSA-N 1 2 249.314 1.472 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnoc2C)C1=O ZINC000337232658 135008920 /nfs/dbraw/zinc/00/89/20/135008920.db2.gz VUTLCFVMXNZOHV-LBPRGKRZSA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnoc2C)C1=O ZINC000337232658 135008923 /nfs/dbraw/zinc/00/89/23/135008923.db2.gz VUTLCFVMXNZOHV-LBPRGKRZSA-N 1 2 249.314 1.202 20 30 BDEDLO Cc1n[nH]c(C2CC[NH+](CCC#N)CC2)n1 ZINC000365995022 135031420 /nfs/dbraw/zinc/03/14/20/135031420.db2.gz CFQSCHAUXBOCOM-UHFFFAOYSA-N 1 2 219.292 1.206 20 30 BDEDLO CCC[N@@H+](CC#N)CCC(C)(C)C(=O)OC ZINC000338548157 135038975 /nfs/dbraw/zinc/03/89/75/135038975.db2.gz YYLUHNQRJVLKAE-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO CCC[N@H+](CC#N)CCC(C)(C)C(=O)OC ZINC000338548157 135038977 /nfs/dbraw/zinc/03/89/77/135038977.db2.gz YYLUHNQRJVLKAE-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250348730 135052213 /nfs/dbraw/zinc/05/22/13/135052213.db2.gz CFTLGDCXNLGPMT-MNOVXSKESA-N 1 2 225.336 1.383 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250348730 135052214 /nfs/dbraw/zinc/05/22/14/135052214.db2.gz CFTLGDCXNLGPMT-MNOVXSKESA-N 1 2 225.336 1.383 20 30 BDEDLO N#CCCOCC[N@H+]1CCC[C@H]1C(F)F ZINC000339195392 135066710 /nfs/dbraw/zinc/06/67/10/135066710.db2.gz NURCJGLBBMNMTN-VIFPVBQESA-N 1 2 218.247 1.646 20 30 BDEDLO N#CCCOCC[N@@H+]1CCC[C@H]1C(F)F ZINC000339195392 135066712 /nfs/dbraw/zinc/06/67/12/135066712.db2.gz NURCJGLBBMNMTN-VIFPVBQESA-N 1 2 218.247 1.646 20 30 BDEDLO C=C(C)[C@@H](CC(=O)NCc1c[nH+]c[nH]1)OCC ZINC000339223435 135067340 /nfs/dbraw/zinc/06/73/40/135067340.db2.gz QFPUIPJTSDRGIO-LLVKDONJSA-N 1 2 237.303 1.397 20 30 BDEDLO C=C(C)[C@@H](CC(=O)NCc1c[nH]c[nH+]1)OCC ZINC000339223435 135067341 /nfs/dbraw/zinc/06/73/41/135067341.db2.gz QFPUIPJTSDRGIO-LLVKDONJSA-N 1 2 237.303 1.397 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253088319 135119902 /nfs/dbraw/zinc/11/99/02/135119902.db2.gz FDBAMACPATTXIL-YNEHKIRRSA-N 1 2 222.332 1.916 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253088319 135119903 /nfs/dbraw/zinc/11/99/03/135119903.db2.gz FDBAMACPATTXIL-YNEHKIRRSA-N 1 2 222.332 1.916 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253088317 135120030 /nfs/dbraw/zinc/12/00/30/135120030.db2.gz FDBAMACPATTXIL-JHJVBQTASA-N 1 2 222.332 1.916 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253088317 135120031 /nfs/dbraw/zinc/12/00/31/135120031.db2.gz FDBAMACPATTXIL-JHJVBQTASA-N 1 2 222.332 1.916 20 30 BDEDLO CCN(CC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000264041096 135130655 /nfs/dbraw/zinc/13/06/55/135130655.db2.gz DRJLWKKDUQYZSV-UHFFFAOYSA-N 1 2 246.236 1.791 20 30 BDEDLO C[N@H+](Cc1ccccn1)CC1(C#N)CC1 ZINC000258943422 135136187 /nfs/dbraw/zinc/13/61/87/135136187.db2.gz PXYQAUAAGUVMSW-UHFFFAOYSA-N 1 2 201.273 1.817 20 30 BDEDLO C[N@@H+](Cc1ccccn1)CC1(C#N)CC1 ZINC000258943422 135136188 /nfs/dbraw/zinc/13/61/88/135136188.db2.gz PXYQAUAAGUVMSW-UHFFFAOYSA-N 1 2 201.273 1.817 20 30 BDEDLO Cc1c(C[N@@H+](C)C[C@H](C)C#N)cnn1C ZINC000268915321 135163745 /nfs/dbraw/zinc/16/37/45/135163745.db2.gz NQTBYMDFWCFGAI-SECBINFHSA-N 1 2 206.293 1.320 20 30 BDEDLO Cc1c(C[N@H+](C)C[C@H](C)C#N)cnn1C ZINC000268915321 135163746 /nfs/dbraw/zinc/16/37/46/135163746.db2.gz NQTBYMDFWCFGAI-SECBINFHSA-N 1 2 206.293 1.320 20 30 BDEDLO Oc1ccc(/C=[NH+]/C[C@H]2CCOC2)c(O)c1O ZINC000298447656 135199105 /nfs/dbraw/zinc/19/91/05/135199105.db2.gz XDJWNLMWSRXWGM-VVESDKHQSA-N 1 2 237.255 1.259 20 30 BDEDLO N#CCC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000298887909 135200875 /nfs/dbraw/zinc/20/08/75/135200875.db2.gz KVZQUHBSHZLSKC-LLVKDONJSA-N 1 2 208.236 1.362 20 30 BDEDLO C=CCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000341488319 135239000 /nfs/dbraw/zinc/23/90/00/135239000.db2.gz HWTFMXGLVTUEJQ-UHFFFAOYSA-N 1 2 222.292 1.101 20 30 BDEDLO C[N@H+](CCOCCC#N)Cc1cscn1 ZINC000293661763 135376833 /nfs/dbraw/zinc/37/68/33/135376833.db2.gz YSJDVMGZWLBKRL-UHFFFAOYSA-N 1 2 225.317 1.505 20 30 BDEDLO C[N@@H+](CCOCCC#N)Cc1cscn1 ZINC000293661763 135376835 /nfs/dbraw/zinc/37/68/35/135376835.db2.gz YSJDVMGZWLBKRL-UHFFFAOYSA-N 1 2 225.317 1.505 20 30 BDEDLO C=CCOCC[N@H+](CC#N)C1CCCC1 ZINC000292980117 135376849 /nfs/dbraw/zinc/37/68/49/135376849.db2.gz FGTLUGPYFFARKY-UHFFFAOYSA-N 1 2 208.305 1.957 20 30 BDEDLO C=CCOCC[N@@H+](CC#N)C1CCCC1 ZINC000292980117 135376850 /nfs/dbraw/zinc/37/68/50/135376850.db2.gz FGTLUGPYFFARKY-UHFFFAOYSA-N 1 2 208.305 1.957 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000299900941 135380779 /nfs/dbraw/zinc/38/07/79/135380779.db2.gz BDBYXVVBKSTLMH-IINYFYTJSA-N 1 2 248.301 1.900 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC000299900941 135380781 /nfs/dbraw/zinc/38/07/81/135380781.db2.gz BDBYXVVBKSTLMH-IINYFYTJSA-N 1 2 248.301 1.900 20 30 BDEDLO C=C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000335315094 136024075 /nfs/dbraw/zinc/02/40/75/136024075.db2.gz BJCFKSXIKRFBRE-UHFFFAOYSA-N 1 2 219.288 1.521 20 30 BDEDLO C=CCOCCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000348044698 136029445 /nfs/dbraw/zinc/02/94/45/136029445.db2.gz HRPHKDWGYXUGKD-IAQYHMDHSA-N 1 2 231.361 1.032 20 30 BDEDLO C=CCOCCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000348044698 136029446 /nfs/dbraw/zinc/02/94/46/136029446.db2.gz HRPHKDWGYXUGKD-IAQYHMDHSA-N 1 2 231.361 1.032 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335550583 136098142 /nfs/dbraw/zinc/09/81/42/136098142.db2.gz ZSWKNYCFBBXTLV-ZJUUUORDSA-N 1 2 219.288 1.136 20 30 BDEDLO C=CC[C@H]1[N@H+](Cc2nnn(C)n2)CCCC1(C)C ZINC000440527903 397931464 /nfs/dbraw/zinc/93/14/64/397931464.db2.gz CPINSJJGNYYHDI-LLVKDONJSA-N 1 2 249.362 1.777 20 30 BDEDLO C=CC[C@H]1[N@@H+](Cc2nnn(C)n2)CCCC1(C)C ZINC000440527903 397931466 /nfs/dbraw/zinc/93/14/66/397931466.db2.gz CPINSJJGNYYHDI-LLVKDONJSA-N 1 2 249.362 1.777 20 30 BDEDLO Cc1noc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000594056355 397966421 /nfs/dbraw/zinc/96/64/21/397966421.db2.gz VLSDYOVYNGSWDX-NXEZZACHSA-N 1 2 220.276 1.502 20 30 BDEDLO Cc1noc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000594056355 397966422 /nfs/dbraw/zinc/96/64/22/397966422.db2.gz VLSDYOVYNGSWDX-NXEZZACHSA-N 1 2 220.276 1.502 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493185369 397922632 /nfs/dbraw/zinc/92/26/32/397922632.db2.gz HRNWOZOBSSBPNS-PCAWENJQSA-N 1 2 230.271 1.231 20 30 BDEDLO CC(C)(O)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000274791299 398014701 /nfs/dbraw/zinc/01/47/01/398014701.db2.gz MYWREKPDTDOTDS-NTUHNPAUSA-N 1 2 239.271 1.383 20 30 BDEDLO C#CCN(CC#CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491763575 398065448 /nfs/dbraw/zinc/06/54/48/398065448.db2.gz ADDXCHKKUVIRGX-ZDUSSCGKSA-N 1 2 243.310 1.319 20 30 BDEDLO C=CCNC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649722317 398066239 /nfs/dbraw/zinc/06/62/39/398066239.db2.gz LPRPGZYYACNTEW-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649722317 398066241 /nfs/dbraw/zinc/06/62/41/398066241.db2.gz LPRPGZYYACNTEW-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO N#CCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC000602710127 398079373 /nfs/dbraw/zinc/07/93/73/398079373.db2.gz UDMHQKSVKQDJQH-UHFFFAOYSA-N 1 2 217.272 1.897 20 30 BDEDLO C[N@H+](CC(=O)NC1CC1)Cc1cc(C#N)cs1 ZINC000120372100 398088617 /nfs/dbraw/zinc/08/86/17/398088617.db2.gz LCQNHROIUATKHF-UHFFFAOYSA-N 1 2 249.339 1.330 20 30 BDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1cc(C#N)cs1 ZINC000120372100 398088620 /nfs/dbraw/zinc/08/86/20/398088620.db2.gz LCQNHROIUATKHF-UHFFFAOYSA-N 1 2 249.339 1.330 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(C(C)=O)no1 ZINC000491655946 398055371 /nfs/dbraw/zinc/05/53/71/398055371.db2.gz HULQVBUWYLDVDC-UHFFFAOYSA-N 1 2 206.245 1.332 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(C(C)=O)no1 ZINC000491655946 398055372 /nfs/dbraw/zinc/05/53/72/398055372.db2.gz HULQVBUWYLDVDC-UHFFFAOYSA-N 1 2 206.245 1.332 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000192230782 398107049 /nfs/dbraw/zinc/10/70/49/398107049.db2.gz FJPCNTDFHNJTGS-UHFFFAOYSA-N 1 2 230.311 1.753 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000192230782 398107054 /nfs/dbraw/zinc/10/70/54/398107054.db2.gz FJPCNTDFHNJTGS-UHFFFAOYSA-N 1 2 230.311 1.753 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000192232115 398107444 /nfs/dbraw/zinc/10/74/44/398107444.db2.gz VWRFTFVOHOQQMD-UHFFFAOYSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000192232115 398107446 /nfs/dbraw/zinc/10/74/46/398107446.db2.gz VWRFTFVOHOQQMD-UHFFFAOYSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000192238789 398107463 /nfs/dbraw/zinc/10/74/63/398107463.db2.gz NAYMNICHVYVRPM-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000192238789 398107464 /nfs/dbraw/zinc/10/74/64/398107464.db2.gz NAYMNICHVYVRPM-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000192232130 398107466 /nfs/dbraw/zinc/10/74/66/398107466.db2.gz GRGOQYBJHFAGKI-UHFFFAOYSA-N 1 2 227.267 1.802 20 30 BDEDLO C#CC[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000192232130 398107467 /nfs/dbraw/zinc/10/74/67/398107467.db2.gz GRGOQYBJHFAGKI-UHFFFAOYSA-N 1 2 227.267 1.802 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(C)n1CCC ZINC000279200045 166110033 /nfs/dbraw/zinc/11/00/33/166110033.db2.gz FZCPJACLPGBJSO-UHFFFAOYSA-N 1 2 234.347 1.840 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(C)n1CCC ZINC000279200045 166110036 /nfs/dbraw/zinc/11/00/36/166110036.db2.gz FZCPJACLPGBJSO-UHFFFAOYSA-N 1 2 234.347 1.840 20 30 BDEDLO C#CCCC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000270895048 166132910 /nfs/dbraw/zinc/13/29/10/166132910.db2.gz IFMOJCDJEOYHEX-UHFFFAOYSA-N 1 2 227.271 1.488 20 30 BDEDLO C#CCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000270480985 166135371 /nfs/dbraw/zinc/13/53/71/166135371.db2.gz DUDKDWXMLOJHFE-ZDUSSCGKSA-N 1 2 231.295 1.856 20 30 BDEDLO C#CCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000270480985 166135373 /nfs/dbraw/zinc/13/53/73/166135373.db2.gz DUDKDWXMLOJHFE-ZDUSSCGKSA-N 1 2 231.295 1.856 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661123482 410277935 /nfs/dbraw/zinc/27/79/35/410277935.db2.gz OSJYIISGZVMMLJ-SNVBAGLBSA-N 1 2 236.319 1.906 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661123482 410277939 /nfs/dbraw/zinc/27/79/39/410277939.db2.gz OSJYIISGZVMMLJ-SNVBAGLBSA-N 1 2 236.319 1.906 20 30 BDEDLO C=CC[N@H+](Cc1cnc[nH]1)[C@H](C)COC ZINC000661239684 410398995 /nfs/dbraw/zinc/39/89/95/410398995.db2.gz INIJCHCRUULKEK-SNVBAGLBSA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@@H+](Cc1cnc[nH]1)[C@H](C)COC ZINC000661239684 410399003 /nfs/dbraw/zinc/39/90/03/410399003.db2.gz INIJCHCRUULKEK-SNVBAGLBSA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@H+](Cc1c[nH]cn1)[C@H](C)COC ZINC000661239684 410399010 /nfs/dbraw/zinc/39/90/10/410399010.db2.gz INIJCHCRUULKEK-SNVBAGLBSA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@@H+](Cc1c[nH]cn1)[C@H](C)COC ZINC000661239684 410399017 /nfs/dbraw/zinc/39/90/17/410399017.db2.gz INIJCHCRUULKEK-SNVBAGLBSA-N 1 2 209.293 1.433 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C(N)=O)c1ccccc1 ZINC000266888568 166169118 /nfs/dbraw/zinc/16/91/18/166169118.db2.gz CDDMUWGMNOBAMT-LBPRGKRZSA-N 1 2 216.284 1.168 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C(N)=O)c1ccccc1 ZINC000266888568 166169119 /nfs/dbraw/zinc/16/91/19/166169119.db2.gz CDDMUWGMNOBAMT-LBPRGKRZSA-N 1 2 216.284 1.168 20 30 BDEDLO C#CC[N@@H+]([C@H](C)C(=O)OCCC)C1CC1 ZINC000274204432 166159897 /nfs/dbraw/zinc/15/98/97/166159897.db2.gz SAFWTELLKQWRTH-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@H+]([C@H](C)C(=O)OCCC)C1CC1 ZINC000274204432 166159903 /nfs/dbraw/zinc/15/99/03/166159903.db2.gz SAFWTELLKQWRTH-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000192227343 166161370 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/nfs/dbraw/zinc/36/49/33/166364933.db2.gz VVPCNFOSBOYKQH-UHFFFAOYSA-N 1 2 237.347 1.550 20 30 BDEDLO C=CCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263736406 166378703 /nfs/dbraw/zinc/37/87/03/166378703.db2.gz DEOSOZCOWPZWKJ-UHFFFAOYSA-N 1 2 234.303 1.205 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000155464109 166381646 /nfs/dbraw/zinc/38/16/46/166381646.db2.gz QMUBDJFWIHBMTC-LLVKDONJSA-N 1 2 230.311 1.693 20 30 BDEDLO C=C(C)CN(CC)c1cc(CO)cc[nH+]1 ZINC000040864907 410896781 /nfs/dbraw/zinc/89/67/81/410896781.db2.gz YWWSYNJQTRTOBR-UHFFFAOYSA-N 1 2 206.289 1.976 20 30 BDEDLO Cc1nc(N2CC[C@](O)(CC#N)C2)c(C)c(C)[nH+]1 ZINC000591977390 411132120 /nfs/dbraw/zinc/13/21/20/411132120.db2.gz XRPBCIBSGIKQGP-CYBMUJFWSA-N 1 2 246.314 1.257 20 30 BDEDLO C=CC[C@H](CO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000364920931 411123242 /nfs/dbraw/zinc/12/32/42/411123242.db2.gz ATKACPHLZIDJLV-LLVKDONJSA-N 1 2 244.298 1.038 20 30 BDEDLO C=C1CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000264690984 411229985 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ZINC000356199408 177271243 /nfs/dbraw/zinc/27/12/43/177271243.db2.gz YEEAJLVDQTUYHV-VIFPVBQESA-N 1 2 237.328 1.626 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CCCO1 ZINC000356199408 177271245 /nfs/dbraw/zinc/27/12/45/177271245.db2.gz YEEAJLVDQTUYHV-VIFPVBQESA-N 1 2 237.328 1.626 20 30 BDEDLO N#CCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493226661 226160338 /nfs/dbraw/zinc/16/03/38/226160338.db2.gz GTIDHGSMMNRSIY-OWOJBTEDSA-N 1 2 230.271 1.233 20 30 BDEDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1(C#N)CCC1 ZINC000493449565 226219744 /nfs/dbraw/zinc/21/97/44/226219744.db2.gz KKEYMMPVZDVWAR-ONEGZZNKSA-N 1 2 230.271 1.328 20 30 BDEDLO N#CC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493718521 226250910 /nfs/dbraw/zinc/25/09/10/226250910.db2.gz GEMKOXNKJOSVSE-UPHRSURJSA-N 1 2 230.271 1.185 20 30 BDEDLO CC#CCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000680884369 487665234 /nfs/dbraw/zinc/66/52/34/487665234.db2.gz WHJBADPBKYVXQL-VIFPVBQESA-N 1 2 221.222 1.663 20 30 BDEDLO CC#CCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000680884369 487665239 /nfs/dbraw/zinc/66/52/39/487665239.db2.gz WHJBADPBKYVXQL-VIFPVBQESA-N 1 2 221.222 1.663 20 30 BDEDLO Cc1cc(NC[C@H](C)C[C@H](C)O)c(C#N)c[nH+]1 ZINC000398986205 262773211 /nfs/dbraw/zinc/77/32/11/262773211.db2.gz IAWIJSZXPIUETM-KOLCDFICSA-N 1 2 233.315 1.503 20 30 BDEDLO Cc1ccc(CO[NH+]=C(N)CCO)cc1C ZINC000191518378 487750232 /nfs/dbraw/zinc/75/02/32/487750232.db2.gz BTBPWWDWFCGSQQ-UHFFFAOYSA-N 1 2 222.288 1.475 20 30 BDEDLO C/C=C/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493323088 527586850 /nfs/dbraw/zinc/58/68/50/527586850.db2.gz OCZWHWZPAGROSN-SJFBBLFCSA-N 1 2 221.304 1.079 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493445733 528836034 /nfs/dbraw/zinc/83/60/34/528836034.db2.gz AFPOJKNPRNBKOP-MOVJSRMASA-N 1 2 218.260 1.231 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](CC)C1CC1)C(=O)OC ZINC000877582645 590355220 /nfs/dbraw/zinc/35/52/20/590355220.db2.gz DAVARCQQUOCSKZ-WDEREUQCSA-N 1 2 209.289 1.330 20 30 BDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609662 487872315 /nfs/dbraw/zinc/87/23/15/487872315.db2.gz NMGFWZQLEXETOX-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609662 487872325 /nfs/dbraw/zinc/87/23/25/487872325.db2.gz NMGFWZQLEXETOX-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933858 487938788 /nfs/dbraw/zinc/93/87/88/487938788.db2.gz DREOFWBPDXLIPG-WCQYABFASA-N 1 2 235.327 1.468 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933858 487938792 /nfs/dbraw/zinc/93/87/92/487938792.db2.gz DREOFWBPDXLIPG-WCQYABFASA-N 1 2 235.327 1.468 20 30 BDEDLO CC#CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682396570 487946925 /nfs/dbraw/zinc/94/69/25/487946925.db2.gz QWBAYPWEKFIJRR-UHFFFAOYSA-N 1 2 228.255 1.479 20 30 BDEDLO N#Cc1csc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000127948566 323006038 /nfs/dbraw/zinc/00/60/38/323006038.db2.gz RSHMGMOITOYDFG-UHFFFAOYSA-N 1 2 247.367 1.900 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159599814 323039979 /nfs/dbraw/zinc/03/99/79/323039979.db2.gz MIDPZQCZQWVSOT-MRVPVSSYSA-N 1 2 208.236 1.781 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000570283394 323055153 /nfs/dbraw/zinc/05/51/53/323055153.db2.gz ZTESKLNDCGTZOK-QWRGUYRKSA-N 1 2 233.315 1.526 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000491626797 323081443 /nfs/dbraw/zinc/08/14/43/323081443.db2.gz LUHBOCLNFGHSLW-JTQLQIEISA-N 1 2 249.314 1.279 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000491626797 323081444 /nfs/dbraw/zinc/08/14/44/323081444.db2.gz LUHBOCLNFGHSLW-JTQLQIEISA-N 1 2 249.314 1.279 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/C1CCCC1 ZINC000493692932 323087106 /nfs/dbraw/zinc/08/71/06/323087106.db2.gz MSXYKTWTHMPSHL-VFNNOXKTSA-N 1 2 249.358 1.693 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](CCC#N)C(C)C ZINC000534342245 323118026 /nfs/dbraw/zinc/11/80/26/323118026.db2.gz YEWBXBOUQVYSKM-UHFFFAOYSA-N 1 2 206.293 1.842 20 30 BDEDLO Cc1n[nH]cc1C[N@H+](CCC#N)C(C)C ZINC000534342245 323118027 /nfs/dbraw/zinc/11/80/27/323118027.db2.gz YEWBXBOUQVYSKM-UHFFFAOYSA-N 1 2 206.293 1.842 20 30 BDEDLO C#CCN(CC#C)Cc1c[nH+]c2ccccn12 ZINC000160907559 323138881 /nfs/dbraw/zinc/13/88/81/323138881.db2.gz OYJILWOBWXMMLS-UHFFFAOYSA-N 1 2 223.279 1.403 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc2ccccn12 ZINC000160907559 323138882 /nfs/dbraw/zinc/13/88/82/323138882.db2.gz OYJILWOBWXMMLS-UHFFFAOYSA-N 1 2 223.279 1.403 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCC(C)(C)C ZINC000571579019 323148332 /nfs/dbraw/zinc/14/83/32/323148332.db2.gz GDJZUWIDRNDFBS-NSHDSACASA-N 1 2 239.363 1.821 20 30 BDEDLO N#C[C@]1(F)CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000615651469 487958207 /nfs/dbraw/zinc/95/82/07/487958207.db2.gz SCWRIYQHDLMGHJ-CYBMUJFWSA-N 1 2 244.273 1.772 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(C#N)c1 ZINC000121616217 324018215 /nfs/dbraw/zinc/01/82/15/324018215.db2.gz FYAXMCFHMWHNFQ-UHFFFAOYSA-N 1 2 226.254 1.766 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000542693882 325041781 /nfs/dbraw/zinc/04/17/81/325041781.db2.gz CKHKTBAPHHDVAY-LLVKDONJSA-N 1 2 245.330 1.326 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCc1[nH+]ccn1C ZINC000071276187 325065958 /nfs/dbraw/zinc/06/59/58/325065958.db2.gz AMIWXQAAIWSBMB-UHFFFAOYSA-N 1 2 234.303 1.366 20 30 BDEDLO COc1cc2c(cc1C[NH2+]C[C@@H](C)C#N)OCO2 ZINC000546962342 325320376 /nfs/dbraw/zinc/32/03/76/325320376.db2.gz VXMHOXDFXFHGBI-VIFPVBQESA-N 1 2 248.282 1.673 20 30 BDEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC#N ZINC000133904566 325328053 /nfs/dbraw/zinc/32/80/53/325328053.db2.gz JWRTZERAUZRSNM-UHFFFAOYSA-N 1 2 242.282 1.238 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2cc[nH]n2)c(F)c1 ZINC000237709311 325366135 /nfs/dbraw/zinc/36/61/35/325366135.db2.gz VOAPDISDFUGHQL-UHFFFAOYSA-N 1 2 230.246 1.710 20 30 BDEDLO CC#CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000565900953 325971987 /nfs/dbraw/zinc/97/19/87/325971987.db2.gz CPWDMZJJHVTWHZ-UHFFFAOYSA-N 1 2 241.294 1.786 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCC1 ZINC000567995285 326293937 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534483013 /nfs/dbraw/zinc/48/30/13/534483013.db2.gz YHBKNMAATJLKSF-SNVBAGLBSA-N 1 2 229.283 1.568 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000121614558 534817769 /nfs/dbraw/zinc/81/77/69/534817769.db2.gz OQKGPRZFVCANSO-SECBINFHSA-N 1 2 223.276 1.428 20 30 BDEDLO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000121614558 534817781 /nfs/dbraw/zinc/81/77/81/534817781.db2.gz OQKGPRZFVCANSO-SECBINFHSA-N 1 2 223.276 1.428 20 30 BDEDLO C=CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621047 534848978 /nfs/dbraw/zinc/84/89/78/534848978.db2.gz LECZEVSNDNIDBR-UHFFFAOYSA-N 1 2 234.255 1.975 20 30 BDEDLO C=CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621047 534848981 /nfs/dbraw/zinc/84/89/81/534848981.db2.gz LECZEVSNDNIDBR-UHFFFAOYSA-N 1 2 234.255 1.975 20 30 BDEDLO C=CCN(CCOC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493754084 526276344 /nfs/dbraw/zinc/27/63/44/526276344.db2.gz YFDGBROEMVYXTK-SNAWJCMRSA-N 1 2 235.287 1.084 20 30 BDEDLO C=C(C)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492747232 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/nfs/dbraw/zinc/64/67/12/582646712.db2.gz RGFVGYJNUKHGSC-UHFFFAOYSA-N 1 2 247.342 1.843 20 30 BDEDLO CCN(CCC#N)Cc1[nH+]ccn1C1CC1 ZINC000891579417 582699077 /nfs/dbraw/zinc/69/90/77/582699077.db2.gz XXHDJCSGXDGXOP-UHFFFAOYSA-N 1 2 218.304 1.954 20 30 BDEDLO C[C@H](C#N)CN(C)Cc1[nH+]ccn1C1CC1 ZINC000891716583 582713237 /nfs/dbraw/zinc/71/32/37/582713237.db2.gz SZJMPSHFPWJMHC-SNVBAGLBSA-N 1 2 218.304 1.809 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891716557 582713588 /nfs/dbraw/zinc/71/35/88/582713588.db2.gz SCTHKSIBBBRLMH-SNVBAGLBSA-N 1 2 232.331 1.889 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891716557 582713590 /nfs/dbraw/zinc/71/35/90/582713590.db2.gz SCTHKSIBBBRLMH-SNVBAGLBSA-N 1 2 232.331 1.889 20 30 BDEDLO CN1CC[C@@H]([N@H+](C)Cc2csc(C#N)c2)C1=O ZINC000892080579 582787319 /nfs/dbraw/zinc/78/73/19/582787319.db2.gz IVHJOVVMMVNKTE-LLVKDONJSA-N 1 2 249.339 1.282 20 30 BDEDLO CN1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1=O ZINC000892080579 582787322 /nfs/dbraw/zinc/78/73/22/582787322.db2.gz IVHJOVVMMVNKTE-LLVKDONJSA-N 1 2 249.339 1.282 20 30 BDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@H](C)C#N ZINC000856076154 588859713 /nfs/dbraw/zinc/85/97/13/588859713.db2.gz VWHKMEBGYFGOAH-SNVBAGLBSA-N 1 2 242.282 1.708 20 30 BDEDLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@@H](C)CC#N ZINC000893533377 583158285 /nfs/dbraw/zinc/15/82/85/583158285.db2.gz UULJXCKNSKGJSV-WPRPVWTQSA-N 1 2 233.271 1.729 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893544841 583161004 /nfs/dbraw/zinc/16/10/04/583161004.db2.gz ODSMSDBCDOQNTP-VIFPVBQESA-N 1 2 218.304 1.547 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1Cl ZINC000857039602 588883530 /nfs/dbraw/zinc/88/35/30/588883530.db2.gz OXWNAJARQRWRPC-SECBINFHSA-N 1 2 226.711 1.855 20 30 BDEDLO C=C(CC)CNc1cc(N(C)C)nc[nH+]1 ZINC000894117240 583310071 /nfs/dbraw/zinc/31/00/71/583310071.db2.gz PXVVFLQPZPYDEJ-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO C=C(CC)CNc1cc(N(C)C)[nH+]cn1 ZINC000894117240 583310073 /nfs/dbraw/zinc/31/00/73/583310073.db2.gz PXVVFLQPZPYDEJ-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO C#C[C@@H]1COCCN1c1cc(CC)[nH+]c(CC)n1 ZINC000894168425 583324122 /nfs/dbraw/zinc/32/41/22/583324122.db2.gz SWAOFIINIXSBSA-GFCCVEGCSA-N 1 2 245.326 1.440 20 30 BDEDLO CO[C@@H](C)CC/[NH+]=C/c1cccc(O)c1O ZINC000726430021 583354421 /nfs/dbraw/zinc/35/44/21/583354421.db2.gz VAWNNPVEAYVHFB-ITTMYVLYSA-N 1 2 223.272 1.942 20 30 BDEDLO CC(=[NH+]N[C@H](C)CO)c1cc(F)c(N)c(F)c1 ZINC000814865060 583378060 /nfs/dbraw/zinc/37/80/60/583378060.db2.gz NXROTCMALNIRLO-ZCFIWIBFSA-N 1 2 243.257 1.241 20 30 BDEDLO Cc1nnc([C@@H](C)[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000894468527 583468148 /nfs/dbraw/zinc/46/81/48/583468148.db2.gz WYCGJHRZMYXNDX-SSDOTTSWSA-N 1 2 247.327 1.897 20 30 BDEDLO C#CC[N@@H+](Cc1[nH]nc(C)c1C)C1CC1 ZINC000894471009 583469004 /nfs/dbraw/zinc/46/90/04/583469004.db2.gz PPQGYFVTSBTXRE-UHFFFAOYSA-N 1 2 203.289 1.624 20 30 BDEDLO C#CC[N@H+](Cc1[nH]nc(C)c1C)C1CC1 ZINC000894471009 583469005 /nfs/dbraw/zinc/46/90/05/583469005.db2.gz PPQGYFVTSBTXRE-UHFFFAOYSA-N 1 2 203.289 1.624 20 30 BDEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)nc1 ZINC000894966434 583559935 /nfs/dbraw/zinc/55/99/35/583559935.db2.gz MQWKHYAKYKETMM-UHFFFAOYSA-N 1 2 231.299 1.874 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895106721 583590014 /nfs/dbraw/zinc/59/00/14/583590014.db2.gz FFZQJKMIVKXMBR-ZDUSSCGKSA-N 1 2 246.314 1.068 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000895106721 583590016 /nfs/dbraw/zinc/59/00/16/583590016.db2.gz FFZQJKMIVKXMBR-ZDUSSCGKSA-N 1 2 246.314 1.068 20 30 BDEDLO N#CC[C@]1(O)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000895106721 583590017 /nfs/dbraw/zinc/59/00/17/583590017.db2.gz FFZQJKMIVKXMBR-ZDUSSCGKSA-N 1 2 246.314 1.068 20 30 BDEDLO C#CC[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000895191417 583621686 /nfs/dbraw/zinc/62/16/86/583621686.db2.gz PQDHYCJVOZNVOE-NSHDSACASA-N 1 2 226.283 1.579 20 30 BDEDLO CC(C)c1c[nH]c(CN2CC(CC#N)C2)[nH+]1 ZINC000895253138 583633980 /nfs/dbraw/zinc/63/39/80/583633980.db2.gz BOEWVYBHMUDCQN-UHFFFAOYSA-N 1 2 218.304 1.879 20 30 BDEDLO CC1=NO[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000895304379 583646069 /nfs/dbraw/zinc/64/60/69/583646069.db2.gz IKHSUPJQHSSYBU-NSHDSACASA-N 1 2 247.273 1.952 20 30 BDEDLO C#CCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888332 588921024 /nfs/dbraw/zinc/92/10/24/588921024.db2.gz YPKHTPCZBUCLOF-LLVKDONJSA-N 1 2 231.299 1.118 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)NCc1cn(C)c[nH+]1 ZINC000895688887 583706990 /nfs/dbraw/zinc/70/69/90/583706990.db2.gz DGAICYMUMGHUSH-JTQLQIEISA-N 1 2 234.303 1.021 20 30 BDEDLO Cn1cnc(C/[NH+]=C/c2ccccc2O)n1 ZINC000131241183 583749340 /nfs/dbraw/zinc/74/93/40/583749340.db2.gz QBWVTGMVMDUJAM-WUXMJOGZSA-N 1 2 216.244 1.140 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986508 588929144 /nfs/dbraw/zinc/92/91/44/588929144.db2.gz VZGGLZBAZUHURD-WDEREUQCSA-N 1 2 249.314 1.425 20 30 BDEDLO C=C1CC(c2noc([C@H]3C[N@H+](C)CCO3)n2)C1 ZINC000896876085 583843475 /nfs/dbraw/zinc/84/34/75/583843475.db2.gz BKDGDXTZQIVDBP-SNVBAGLBSA-N 1 2 235.287 1.506 20 30 BDEDLO C=C1CC(c2noc([C@H]3C[N@@H+](C)CCO3)n2)C1 ZINC000896876085 583843477 /nfs/dbraw/zinc/84/34/77/583843477.db2.gz BKDGDXTZQIVDBP-SNVBAGLBSA-N 1 2 235.287 1.506 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccnc(F)c2)nn1 ZINC000858182875 588937817 /nfs/dbraw/zinc/93/78/17/588937817.db2.gz LDMXWEXTKDZROY-UHFFFAOYSA-N 1 2 247.277 1.288 20 30 BDEDLO C=C(Cl)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000728733726 583905656 /nfs/dbraw/zinc/90/56/56/583905656.db2.gz MKNSBLYHDVEXHZ-UHFFFAOYSA-N 1 2 216.712 1.469 20 30 BDEDLO C=C(Cl)C[N@H+](CC(N)=O)C1CCCC1 ZINC000728733726 583905657 /nfs/dbraw/zinc/90/56/57/583905657.db2.gz MKNSBLYHDVEXHZ-UHFFFAOYSA-N 1 2 216.712 1.469 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728928220 583937282 /nfs/dbraw/zinc/93/72/82/583937282.db2.gz QOKBYOUIKZVTLV-JTQLQIEISA-N 1 2 210.277 1.127 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000728928220 583937283 /nfs/dbraw/zinc/93/72/83/583937283.db2.gz QOKBYOUIKZVTLV-JTQLQIEISA-N 1 2 210.277 1.127 20 30 BDEDLO C#C[C@H]1CCCCN1c1[nH+]cnc2c1cnn2C ZINC000897359629 583937992 /nfs/dbraw/zinc/93/79/92/583937992.db2.gz GOSHMWUELGIICW-JTQLQIEISA-N 1 2 241.298 1.355 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CC/N=C/c1ccccc1O ZINC000729148886 583961064 /nfs/dbraw/zinc/96/10/64/583961064.db2.gz FRVXKUSEWMKUOY-XBUHWIKASA-N 1 2 248.326 1.532 20 30 BDEDLO C[C@H]1COCC[N@H+]1CC/N=C/c1ccccc1O ZINC000729148886 583961065 /nfs/dbraw/zinc/96/10/65/583961065.db2.gz FRVXKUSEWMKUOY-XBUHWIKASA-N 1 2 248.326 1.532 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897444607 583985586 /nfs/dbraw/zinc/98/55/86/583985586.db2.gz MJQSWJUVJNSTNA-GFCCVEGCSA-N 1 2 248.330 1.482 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897444607 583985588 /nfs/dbraw/zinc/98/55/88/583985588.db2.gz MJQSWJUVJNSTNA-GFCCVEGCSA-N 1 2 248.330 1.482 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897444607 583985590 /nfs/dbraw/zinc/98/55/90/583985590.db2.gz MJQSWJUVJNSTNA-GFCCVEGCSA-N 1 2 248.330 1.482 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897444607 583985592 /nfs/dbraw/zinc/98/55/92/583985592.db2.gz MJQSWJUVJNSTNA-GFCCVEGCSA-N 1 2 248.330 1.482 20 30 BDEDLO C#CCSCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000897907718 584060108 /nfs/dbraw/zinc/06/01/08/584060108.db2.gz AUVMPRLVTLDHRJ-UHFFFAOYSA-N 1 2 237.328 1.127 20 30 BDEDLO Cn1cnc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000898042839 584080885 /nfs/dbraw/zinc/08/08/85/584080885.db2.gz ZJNNTGCPYAUIGL-UHFFFAOYSA-N 1 2 232.312 1.643 20 30 BDEDLO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866336729 584118012 /nfs/dbraw/zinc/11/80/12/584118012.db2.gz GYFAGNCVRGYZNA-CMPLNLGQSA-N 1 2 246.310 1.851 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000730094396 584122967 /nfs/dbraw/zinc/12/29/67/584122967.db2.gz GKAQTAZELOPPGY-ZDUSSCGKSA-N 1 2 228.295 1.723 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000730094396 584122968 /nfs/dbraw/zinc/12/29/68/584122968.db2.gz GKAQTAZELOPPGY-ZDUSSCGKSA-N 1 2 228.295 1.723 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898613002 584146092 /nfs/dbraw/zinc/14/60/92/584146092.db2.gz WNVHDURKADNORF-GFCCVEGCSA-N 1 2 246.314 1.117 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000898809595 584160031 /nfs/dbraw/zinc/16/00/31/584160031.db2.gz BTABSRPQVZHOOS-SNVBAGLBSA-N 1 2 231.299 1.800 20 30 BDEDLO CCn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000899883097 584246990 /nfs/dbraw/zinc/24/69/90/584246990.db2.gz WSMLFDLLCZZARZ-NSHDSACASA-N 1 2 233.319 1.424 20 30 BDEDLO CCn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000899883097 584246993 /nfs/dbraw/zinc/24/69/93/584246993.db2.gz WSMLFDLLCZZARZ-NSHDSACASA-N 1 2 233.319 1.424 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccns2)nn1 ZINC000899888792 584247259 /nfs/dbraw/zinc/24/72/59/584247259.db2.gz QNDFBYYGXWHCJX-SECBINFHSA-N 1 2 249.343 1.771 20 30 BDEDLO C=C1C[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000899900660 584249632 /nfs/dbraw/zinc/24/96/32/584249632.db2.gz QZIDNNBZSGGLPS-LLVKDONJSA-N 1 2 206.289 1.303 20 30 BDEDLO C#CC[C@H](CCOC)Nc1[nH+]cccc1OC ZINC000858858847 588979755 /nfs/dbraw/zinc/97/97/55/588979755.db2.gz SIQNBLJEMSKLPE-LLVKDONJSA-N 1 2 234.299 1.931 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1nc[nH+]c(C)c1OC ZINC000858858481 588979879 /nfs/dbraw/zinc/97/98/79/588979879.db2.gz IOCHVFNKPCFUBV-NSHDSACASA-N 1 2 249.314 1.634 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2nccnc2OC)c1 ZINC000901220771 584399018 /nfs/dbraw/zinc/39/90/18/584399018.db2.gz QDIFCJVXOADWBS-UHFFFAOYSA-N 1 2 246.274 1.148 20 30 BDEDLO C(C[C@H]1CCOC1)=[NH+]n1nnc2c1CCCC2 ZINC000901331685 584425200 /nfs/dbraw/zinc/42/52/00/584425200.db2.gz TWMQLLGTRRKXGD-JTQLQIEISA-N 1 2 234.303 1.417 20 30 BDEDLO CC#CCCNC(=O)c1ccc(C)[nH+]c1NC ZINC000901356899 584432021 /nfs/dbraw/zinc/43/20/21/584432021.db2.gz GEOUTYPJMYNOGQ-UHFFFAOYSA-N 1 2 231.299 1.575 20 30 BDEDLO Cc1nn(C)c(C)c1C(=O)/C=C/c1c[nH+]cn1C ZINC000901464580 584451392 /nfs/dbraw/zinc/45/13/92/584451392.db2.gz KWKJKKMCEIHFLA-AATRIKPKSA-N 1 2 244.298 1.667 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cnn(C)c1C ZINC000901491389 584452747 /nfs/dbraw/zinc/45/27/47/584452747.db2.gz VEXZAUDRTHILJI-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO CCCn1cc(C(=O)/C=C/c2[nH]cc[nH+]2)nn1 ZINC000901581481 584467261 /nfs/dbraw/zinc/46/72/61/584467261.db2.gz VKMFEPGQFRZZNV-ONEGZZNKSA-N 1 2 231.259 1.307 20 30 BDEDLO Cn1c[nH+]cc1CCCn1ccc(C#N)cc1=O ZINC000902584068 584639400 /nfs/dbraw/zinc/63/94/00/584639400.db2.gz HQVIQCXSMOXIOY-UHFFFAOYSA-N 1 2 242.282 1.086 20 30 BDEDLO C#CCCOC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000859101801 589002194 /nfs/dbraw/zinc/00/21/94/589002194.db2.gz XHWIJCLGLFTHLF-UHFFFAOYSA-N 1 2 233.271 1.167 20 30 BDEDLO N#Cc1ccnc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000902739093 584662970 /nfs/dbraw/zinc/66/29/70/584662970.db2.gz RRTFGLYMAIXQOG-LLVKDONJSA-N 1 2 246.270 1.131 20 30 BDEDLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(C#N)ccn1 ZINC000902890604 584690350 /nfs/dbraw/zinc/69/03/50/584690350.db2.gz ATBAVDNKQCSCAC-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](F)C1 ZINC000902990465 584709454 /nfs/dbraw/zinc/70/94/54/584709454.db2.gz CNKCBWUTSLBKOX-ZJUUUORDSA-N 1 2 215.268 1.538 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](F)C1 ZINC000902990465 584709455 /nfs/dbraw/zinc/70/94/55/584709455.db2.gz CNKCBWUTSLBKOX-ZJUUUORDSA-N 1 2 215.268 1.538 20 30 BDEDLO CCCCN(O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000904208685 584847426 /nfs/dbraw/zinc/84/74/26/584847426.db2.gz GVFILVRNJXJXJL-JTQLQIEISA-N 1 2 237.303 1.463 20 30 BDEDLO C[C@@H]1OCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753937026 584911152 /nfs/dbraw/zinc/91/11/52/584911152.db2.gz VHTCOJCZRDSOEG-LSJOCFKGSA-N 1 2 236.319 1.011 20 30 BDEDLO O=C1c2cccc(O)c2C/C1=C\c1[nH]cc[nH+]1 ZINC000731156476 584922750 /nfs/dbraw/zinc/92/27/50/584922750.db2.gz GESCYLGTZADEIG-BQYQJAHWSA-N 1 2 226.235 1.938 20 30 BDEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000731201746 584923446 /nfs/dbraw/zinc/92/34/46/584923446.db2.gz UWOZVENLXGEEOJ-LLVKDONJSA-N 1 2 232.287 1.082 20 30 BDEDLO C#CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000733246456 584945416 /nfs/dbraw/zinc/94/54/16/584945416.db2.gz ILIYFBRLQZKPGE-UHFFFAOYSA-N 1 2 239.278 1.625 20 30 BDEDLO C#CCOc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000839127284 585093470 /nfs/dbraw/zinc/09/34/70/585093470.db2.gz BRRYVIKZYDYVEN-UHFFFAOYSA-N 1 2 231.295 1.529 20 30 BDEDLO C#CC[C@H]([NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000839165524 585095122 /nfs/dbraw/zinc/09/51/22/585095122.db2.gz ADMSTFPXYGDLSH-NSHDSACASA-N 1 2 236.315 1.471 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(=O)OC ZINC000839167311 585095385 /nfs/dbraw/zinc/09/53/85/585095385.db2.gz FBSQMDKAJSTDDC-VPOLOUISSA-N 1 2 209.289 1.185 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCC1CC1)C(=O)OC ZINC000839166985 585095430 /nfs/dbraw/zinc/09/54/30/585095430.db2.gz CCEAKZRYRTXCJT-JQWIXIFHSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCC(OC)CC1)C(=O)OC ZINC000839167480 585095483 /nfs/dbraw/zinc/09/54/83/585095483.db2.gz FCSQQHNNSRNZRJ-MCIGGMRASA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)OC ZINC000839166818 585095510 /nfs/dbraw/zinc/09/55/10/585095510.db2.gz ARUVHFYPLWPBRK-ONGXEEELSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)C(=O)OC ZINC000839168104 585095722 /nfs/dbraw/zinc/09/57/22/585095722.db2.gz JOBMJQJSOWKVDE-AXFHLTTASA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCSCC1)C(=O)OC ZINC000839169544 585095904 /nfs/dbraw/zinc/09/59/04/585095904.db2.gz SYOYFPXQDZPNTP-SNVBAGLBSA-N 1 2 227.329 1.037 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(=O)OC ZINC000839170167 585096028 /nfs/dbraw/zinc/09/60/28/585096028.db2.gz XDAHWNWYBUSKHF-AGIUHOORSA-N 1 2 235.327 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC=C)C(=O)OC ZINC000839170145 585096122 /nfs/dbraw/zinc/09/61/22/585096122.db2.gz YFGDUTLEKPNJLF-SRVKXCTJSA-N 1 2 223.316 1.742 20 30 BDEDLO C#CC[C@H]([NH2+]C1Cc2ccccc2C1)C(=O)OC ZINC000839170175 585096172 /nfs/dbraw/zinc/09/61/72/585096172.db2.gz YUESJWNGKVQFAJ-AWEZNQCLSA-N 1 2 243.306 1.308 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000839170137 585096187 /nfs/dbraw/zinc/09/61/87/585096187.db2.gz YASACHJTXXTVKU-SRVKXCTJSA-N 1 2 223.316 1.720 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC000839188268 585097178 /nfs/dbraw/zinc/09/71/78/585097178.db2.gz BFPSAYDZSHVAOF-LBPRGKRZSA-N 1 2 247.294 1.235 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000839188268 585097179 /nfs/dbraw/zinc/09/71/79/585097179.db2.gz BFPSAYDZSHVAOF-LBPRGKRZSA-N 1 2 247.294 1.235 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOc1cccc(C)c1 ZINC000839195095 585098571 /nfs/dbraw/zinc/09/85/71/585098571.db2.gz OONTYOQYTJGNSP-CQSZACIVSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOc1cccc(C)c1 ZINC000839195095 585098572 /nfs/dbraw/zinc/09/85/72/585098572.db2.gz OONTYOQYTJGNSP-CQSZACIVSA-N 1 2 245.322 1.708 20 30 BDEDLO C[C@H](CCC#N)[N@H+](C)Cc1nnc2ccccn21 ZINC000839500034 585105930 /nfs/dbraw/zinc/10/59/30/585105930.db2.gz BIASWQWBECHBFG-LLVKDONJSA-N 1 2 243.314 1.853 20 30 BDEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nnc2ccccn21 ZINC000839500034 585105931 /nfs/dbraw/zinc/10/59/31/585105931.db2.gz BIASWQWBECHBFG-LLVKDONJSA-N 1 2 243.314 1.853 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)C(C)(C)C)CC1 ZINC000742670629 585129715 /nfs/dbraw/zinc/12/97/15/585129715.db2.gz MLSNEUIPDUIEGR-OUKQBFOZSA-N 1 2 248.370 1.756 20 30 BDEDLO CC#CCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000744996324 585155111 /nfs/dbraw/zinc/15/51/11/585155111.db2.gz MUHNPCSGUWVSGZ-UHFFFAOYSA-N 1 2 214.224 1.514 20 30 BDEDLO CN(CC(F)F)C1CC[NH+](CCC#N)CC1 ZINC000746483647 585168682 /nfs/dbraw/zinc/16/86/82/585168682.db2.gz ZAPJULINQLXQOG-UHFFFAOYSA-N 1 2 231.290 1.561 20 30 BDEDLO C[N@H+](CC(F)F)C1CCN(CCC#N)CC1 ZINC000746483647 585168683 /nfs/dbraw/zinc/16/86/83/585168683.db2.gz ZAPJULINQLXQOG-UHFFFAOYSA-N 1 2 231.290 1.561 20 30 BDEDLO C[N@@H+](CC(F)F)C1CCN(CCC#N)CC1 ZINC000746483647 585168684 /nfs/dbraw/zinc/16/86/84/585168684.db2.gz ZAPJULINQLXQOG-UHFFFAOYSA-N 1 2 231.290 1.561 20 30 BDEDLO N#CC1(COC(=O)CCc2ccc(N)[nH+]c2)CC1 ZINC000751458190 585230726 /nfs/dbraw/zinc/23/07/26/585230726.db2.gz LCXJZOGWSQIXLQ-UHFFFAOYSA-N 1 2 245.282 1.443 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000754374055 585283411 /nfs/dbraw/zinc/28/34/11/585283411.db2.gz TVLZEPKGIFLWKT-CHPNCVJKSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000754374055 585283412 /nfs/dbraw/zinc/28/34/12/585283412.db2.gz TVLZEPKGIFLWKT-CHPNCVJKSA-N 1 2 236.315 1.730 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NC(C)(C)C ZINC000755564253 585301578 /nfs/dbraw/zinc/30/15/78/585301578.db2.gz ZRIXJIFPBITEMX-UHFFFAOYSA-N 1 2 239.348 1.315 20 30 BDEDLO COc1ccc(CNN=Cc2[nH+]c[nH]c2C)cc1 ZINC000755653389 585303411 /nfs/dbraw/zinc/30/34/11/585303411.db2.gz AROVBNZCUPIQLT-UHFFFAOYSA-N 1 2 244.298 1.850 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2c[nH+]cn2C)o1 ZINC000755661532 585303776 /nfs/dbraw/zinc/30/37/76/585303776.db2.gz QRRQZVCQCSIJHS-UHFFFAOYSA-N 1 2 230.231 1.034 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1cc(C)ncn1 ZINC000755726957 585304884 /nfs/dbraw/zinc/30/48/84/585304884.db2.gz JLCBQEJHUAOESF-UHFFFAOYSA-N 1 2 230.275 1.447 20 30 BDEDLO Cc1cccn2c(C=NNCC(F)F)c[nH+]c12 ZINC000755739485 585305310 /nfs/dbraw/zinc/30/53/10/585305310.db2.gz MQFPFTAQXVREJM-UHFFFAOYSA-N 1 2 238.241 1.831 20 30 BDEDLO C[C@@H](C(=O)OCCCC#N)[NH+]1CCSCC1 ZINC000759811410 585380606 /nfs/dbraw/zinc/38/06/06/585380606.db2.gz OTCJCAXYKSGCSH-JTQLQIEISA-N 1 2 242.344 1.271 20 30 BDEDLO C#CCCO[NH+]=C(N)COc1ccc(F)cc1 ZINC000760369881 585391593 /nfs/dbraw/zinc/39/15/93/585391593.db2.gz SKZZWYKKGWWJRD-UHFFFAOYSA-N 1 2 236.246 1.726 20 30 BDEDLO C#CCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000760518886 585393556 /nfs/dbraw/zinc/39/35/56/585393556.db2.gz YYPDRUKARKSTBW-NSHDSACASA-N 1 2 231.299 1.118 20 30 BDEDLO C=CCNC(=S)NCc1ccn2cc[nH+]c2c1 ZINC000761838967 585419659 /nfs/dbraw/zinc/41/96/59/585419659.db2.gz PMIUSLICZMBUGW-UHFFFAOYSA-N 1 2 246.339 1.484 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702413 585452981 /nfs/dbraw/zinc/45/29/81/585452981.db2.gz YCCZQNSHCQHSQJ-UWVGGRQHSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702413 585452982 /nfs/dbraw/zinc/45/29/82/585452982.db2.gz YCCZQNSHCQHSQJ-UWVGGRQHSA-N 1 2 222.288 1.316 20 30 BDEDLO CC#CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000764648233 585469918 /nfs/dbraw/zinc/46/99/18/585469918.db2.gz JPVGYZKOKZYDJL-UHFFFAOYSA-N 1 2 239.278 1.512 20 30 BDEDLO C[C@@H]1CC(NC(=O)c2cccc3[nH+]ccn32)=NO1 ZINC000765385452 585485093 /nfs/dbraw/zinc/48/50/93/585485093.db2.gz UAUQJGGCVQBXRI-MRVPVSSYSA-N 1 2 244.254 1.186 20 30 BDEDLO C[C@H]1CC(NC(=O)c2cccc3[nH+]ccn32)=NO1 ZINC000765385454 585485137 /nfs/dbraw/zinc/48/51/37/585485137.db2.gz UAUQJGGCVQBXRI-QMMMGPOBSA-N 1 2 244.254 1.186 20 30 BDEDLO CN(C)c1ccc(C=[NH+]N2CCCC2=O)cc1 ZINC000769589554 585560331 /nfs/dbraw/zinc/56/03/31/585560331.db2.gz PBXIEHUKARAFFB-UHFFFAOYSA-N 1 2 231.299 1.709 20 30 BDEDLO Cc1cccn2c(C=NN3CCCC3=O)c[nH+]c12 ZINC000769593095 585560354 /nfs/dbraw/zinc/56/03/54/585560354.db2.gz KCRDFNKWCZXEMZ-UHFFFAOYSA-N 1 2 242.282 1.599 20 30 BDEDLO C#CCN(CC#C)C(=O)c1cccc2[nH+]ccn21 ZINC000770084469 585570705 /nfs/dbraw/zinc/57/07/05/585570705.db2.gz OEBZWUHFEPBSSK-UHFFFAOYSA-N 1 2 237.262 1.043 20 30 BDEDLO C(=NN1CCOCC1)c1cccc2[nH+]ccn21 ZINC000771087484 585590142 /nfs/dbraw/zinc/59/01/42/585590142.db2.gz FOGIZARAFDHAGA-UHFFFAOYSA-N 1 2 230.271 1.000 20 30 BDEDLO N#CC1(C(=O)OCCn2cc[nH+]c2)CCCCC1 ZINC000771931865 585604647 /nfs/dbraw/zinc/60/46/47/585604647.db2.gz BGPDYXDNGRHADL-UHFFFAOYSA-N 1 2 247.298 1.900 20 30 BDEDLO N#Cc1ccc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000771963460 585605768 /nfs/dbraw/zinc/60/57/68/585605768.db2.gz BKRMQPRGNJWHRG-UHFFFAOYSA-N 1 2 242.238 1.007 20 30 BDEDLO C#CCOCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772216686 585610266 /nfs/dbraw/zinc/61/02/66/585610266.db2.gz BKHDVLXXRCAEBB-UHFFFAOYSA-N 1 2 247.294 1.782 20 30 BDEDLO C#C[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000772258908 585611309 /nfs/dbraw/zinc/61/13/09/585611309.db2.gz TVWLVONFBWYLEY-NWDGAFQWSA-N 1 2 243.310 1.947 20 30 BDEDLO C=C[C@H]([NH2+]CC(C)(C)SC)C(=O)OC ZINC000300772083 585611823 /nfs/dbraw/zinc/61/18/23/585611823.db2.gz BKDUPXCCXUTUFO-QMMMGPOBSA-N 1 2 217.334 1.445 20 30 BDEDLO C=C[C@@H]([NH2+]CC(C)(C)SC)C(=O)OC ZINC000300772080 585611867 /nfs/dbraw/zinc/61/18/67/585611867.db2.gz BKDUPXCCXUTUFO-MRVPVSSYSA-N 1 2 217.334 1.445 20 30 BDEDLO C=CCCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805476489 585630052 /nfs/dbraw/zinc/63/00/52/585630052.db2.gz QNFWWZAFRAXONW-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=CCCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805476489 585630053 /nfs/dbraw/zinc/63/00/53/585630053.db2.gz QNFWWZAFRAXONW-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000773428325 585636722 /nfs/dbraw/zinc/63/67/22/585636722.db2.gz YMNANWAMDOFWIM-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@H](C(=O)OCC)C1 ZINC000773428325 585636723 /nfs/dbraw/zinc/63/67/23/585636723.db2.gz YMNANWAMDOFWIM-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO COCC#CCO[NH+]=C(N)Cc1ccccc1C ZINC000775684132 585683170 /nfs/dbraw/zinc/68/31/70/585683170.db2.gz XBFNMQRJAZCCAC-UHFFFAOYSA-N 1 2 246.310 1.686 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(C)o1)[C@@H]1CCCO1 ZINC000775801976 585685131 /nfs/dbraw/zinc/68/51/31/585685131.db2.gz ZYHFZEFFFQQSIV-MIMYLULJSA-N 1 2 235.287 1.209 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(CC)o1)[C@@H]1CCCO1 ZINC000775797832 585685389 /nfs/dbraw/zinc/68/53/89/585685389.db2.gz FGDWAEGHWPQEBA-NEPJUHHUSA-N 1 2 234.299 1.507 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN1CCOCC1 ZINC000776720355 585703441 /nfs/dbraw/zinc/70/34/41/585703441.db2.gz MIXLEDYHDHGNDO-UHFFFAOYSA-N 1 2 233.315 1.641 20 30 BDEDLO C=C(C)CNC(=O)c1cccc2[nH+]ccn21 ZINC000779130324 585745432 /nfs/dbraw/zinc/74/54/32/585745432.db2.gz QJIFNZDWBOFURR-UHFFFAOYSA-N 1 2 215.256 1.640 20 30 BDEDLO Cn1c[nH+]cc1C=NN[C@@H]1CCOC(C)(C)C1 ZINC000780241141 585774331 /nfs/dbraw/zinc/77/43/31/585774331.db2.gz MCXYLTKXJDJQJH-SNVBAGLBSA-N 1 2 236.319 1.301 20 30 BDEDLO C#CCCCCCC(=O)NCCCn1cc[nH+]c1 ZINC000780323289 585777806 /nfs/dbraw/zinc/77/78/06/585777806.db2.gz XTLMNYFPQDZVNM-UHFFFAOYSA-N 1 2 247.342 1.973 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C#N)cn1 ZINC000780329679 585778057 /nfs/dbraw/zinc/77/80/57/585778057.db2.gz MSLFNQLUQPOQAF-NSHDSACASA-N 1 2 239.282 1.486 20 30 BDEDLO C#CCCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000780502230 585779677 /nfs/dbraw/zinc/77/96/77/585779677.db2.gz XUIDORVAXNGELB-UHFFFAOYSA-N 1 2 233.315 1.652 20 30 BDEDLO Cn1nccc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000781151891 585791681 /nfs/dbraw/zinc/79/16/81/585791681.db2.gz JARMNRBHUCXBHA-UHFFFAOYSA-N 1 2 248.261 1.396 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2ccnc(F)c2)cn1 ZINC000781595028 585799789 /nfs/dbraw/zinc/79/97/89/585799789.db2.gz KJXAIZOJSLGRTH-UHFFFAOYSA-N 1 2 232.222 1.039 20 30 BDEDLO Nc1ncc(C=[NH+]OCc2ccccc2)cn1 ZINC000781586414 585799978 /nfs/dbraw/zinc/79/99/78/585799978.db2.gz LPBIWISSNVIWGJ-UHFFFAOYSA-N 1 2 228.255 1.610 20 30 BDEDLO Oc1cccc(/C=[NH+]\CCCn2ccnn2)c1O ZINC000783685629 585840249 /nfs/dbraw/zinc/84/02/49/585840249.db2.gz QCZCWWDKOPVBIE-LCYFTJDESA-N 1 2 246.270 1.199 20 30 BDEDLO C#CCCCC(=O)OCCCn1cc[nH+]c1 ZINC000784974627 585869422 /nfs/dbraw/zinc/86/94/22/585869422.db2.gz TVZFLHPBPMAVSI-UHFFFAOYSA-N 1 2 220.272 1.620 20 30 BDEDLO C=CC[N@H+](Cn1cc2[nH]cccc-2c1=O)C(C)C ZINC000785499784 585874821 /nfs/dbraw/zinc/87/48/21/585874821.db2.gz RYMQELCXQHUAHS-UHFFFAOYSA-N 1 2 245.326 1.891 20 30 BDEDLO C=CC[N@@H+](Cn1cc2[nH]cccc-2c1=O)C(C)C ZINC000785499784 585874822 /nfs/dbraw/zinc/87/48/22/585874822.db2.gz RYMQELCXQHUAHS-UHFFFAOYSA-N 1 2 245.326 1.891 20 30 BDEDLO C#CCCC/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000788674000 585928860 /nfs/dbraw/zinc/92/88/60/585928860.db2.gz AOYTZPZMGDNSLI-ZSOIEALJSA-N 1 2 232.283 1.420 20 30 BDEDLO CC(C)(C#N)CCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613484 585945612 /nfs/dbraw/zinc/94/56/12/585945612.db2.gz XTOPBOLTZSJWRO-JTQLQIEISA-N 1 2 239.319 1.994 20 30 BDEDLO Cc1n[nH]c(C)c1C=NNc1[nH+]ccn1C ZINC000790300616 585962728 /nfs/dbraw/zinc/96/27/28/585962728.db2.gz WUJUVRIGVDEENG-UHFFFAOYSA-N 1 2 218.264 1.206 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccccc1 ZINC000790300400 585962874 /nfs/dbraw/zinc/96/28/74/585962874.db2.gz XKCMXYPRZMMBLW-UHFFFAOYSA-N 1 2 200.245 1.866 20 30 BDEDLO CCn1cc(C(C)=NNc2[nH+]ccn2C)cn1 ZINC000790301623 585962947 /nfs/dbraw/zinc/96/29/47/585962947.db2.gz GZHJXYRPTKWBOK-UHFFFAOYSA-N 1 2 232.291 1.473 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccc([N+](=O)[O-])c1 ZINC000790302967 585962981 /nfs/dbraw/zinc/96/29/81/585962981.db2.gz OERQJQDKYPZWMQ-UHFFFAOYSA-N 1 2 245.242 1.774 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1c[nH]c2ncccc12 ZINC000790302712 585963152 /nfs/dbraw/zinc/96/31/52/585963152.db2.gz XOWIEWBLXNTLIH-UHFFFAOYSA-N 1 2 240.270 1.742 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000791745188 585987350 /nfs/dbraw/zinc/98/73/50/585987350.db2.gz KFHTWOMNTFIPFX-NEPJUHHUSA-N 1 2 245.326 1.364 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(Cl)n(C)n1 ZINC000859276171 589027421 /nfs/dbraw/zinc/02/74/21/589027421.db2.gz HNWALQTZSSUOTI-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(Cl)n(C)n1 ZINC000859276171 589027422 /nfs/dbraw/zinc/02/74/22/589027422.db2.gz HNWALQTZSSUOTI-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2cccc(Cl)n2)cn1 ZINC000793180895 586013277 /nfs/dbraw/zinc/01/32/77/586013277.db2.gz DUAPROXBLRPGFZ-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2ncncc2F)cn1C ZINC000793199592 586013842 /nfs/dbraw/zinc/01/38/42/586013842.db2.gz UHVPWJDNAUXTAX-UHFFFAOYSA-N 1 2 248.265 1.494 20 30 BDEDLO C#CCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000793642690 586024398 /nfs/dbraw/zinc/02/43/98/586024398.db2.gz DVXAHHGMFPXPCT-UHFFFAOYSA-N 1 2 219.288 1.262 20 30 BDEDLO C#CCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000793642690 586024399 /nfs/dbraw/zinc/02/43/99/586024399.db2.gz DVXAHHGMFPXPCT-UHFFFAOYSA-N 1 2 219.288 1.262 20 30 BDEDLO Cc1cc(C)nc(N=NCc2cn(C)c[nH+]2)n1 ZINC000794448662 586039968 /nfs/dbraw/zinc/03/99/68/586039968.db2.gz RIDUUWGAUARZBO-UHFFFAOYSA-N 1 2 230.275 1.273 20 30 BDEDLO Cn1cc2c(n1)CC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000794965716 586059004 /nfs/dbraw/zinc/05/90/04/586059004.db2.gz YLLBJJZXZIWSMK-VURMDHGXSA-N 1 2 228.255 1.356 20 30 BDEDLO Fc1cccnc1N=NCc1c[nH+]c[nH]1 ZINC000794979994 586061215 /nfs/dbraw/zinc/06/12/15/586061215.db2.gz CHVJNCYGFCKMHP-UHFFFAOYSA-N 1 2 205.196 1.390 20 30 BDEDLO Fc1cccnc1N=NCc1c[nH]c[nH+]1 ZINC000794979994 586061217 /nfs/dbraw/zinc/06/12/17/586061217.db2.gz CHVJNCYGFCKMHP-UHFFFAOYSA-N 1 2 205.196 1.390 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)c1ccnc(C#N)c1 ZINC000796740621 586111444 /nfs/dbraw/zinc/11/14/44/586111444.db2.gz SMNLCRPXUHSJBU-UHFFFAOYSA-N 1 2 242.238 1.044 20 30 BDEDLO C#CC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000797776037 586131019 /nfs/dbraw/zinc/13/10/19/586131019.db2.gz MBTFRLLKSUFSKR-NSHDSACASA-N 1 2 231.299 1.590 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CC[S@](C)=O ZINC000798197827 586140231 /nfs/dbraw/zinc/14/02/31/586140231.db2.gz VJAMYEMDQGHSSO-HNNXBMFYSA-N 1 2 230.377 1.627 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CC[S@](C)=O ZINC000798197827 586140232 /nfs/dbraw/zinc/14/02/32/586140232.db2.gz VJAMYEMDQGHSSO-HNNXBMFYSA-N 1 2 230.377 1.627 20 30 BDEDLO C#CCC[C@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000798419565 586143648 /nfs/dbraw/zinc/14/36/48/586143648.db2.gz MGNIZZFJLVNJBN-NSHDSACASA-N 1 2 233.315 1.786 20 30 BDEDLO C=CC[N@H+](Cc1ncnn1CCF)C(C)C ZINC000799295985 586169837 /nfs/dbraw/zinc/16/98/37/586169837.db2.gz FTIHZCCSTLSSMC-UHFFFAOYSA-N 1 2 226.299 1.644 20 30 BDEDLO C=CC[N@@H+](Cc1ncnn1CCF)C(C)C ZINC000799295985 586169839 /nfs/dbraw/zinc/16/98/39/586169839.db2.gz FTIHZCCSTLSSMC-UHFFFAOYSA-N 1 2 226.299 1.644 20 30 BDEDLO Cn1c[nH+]c(C=C2C(=O)c3ccccc3C2=O)c1 ZINC000800791533 586228828 /nfs/dbraw/zinc/22/88/28/586228828.db2.gz BQLUPWZIFZSFAB-UHFFFAOYSA-N 1 2 238.246 1.883 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cnccn2)c1 ZINC000800794012 586229592 /nfs/dbraw/zinc/22/95/92/586229592.db2.gz UMDWPYUQOKPSNY-NSCUHMNNSA-N 1 2 214.228 1.106 20 30 BDEDLO CC(=NNCC(F)F)c1cn(C)c(C)[nH+]1 ZINC000800812384 586230946 /nfs/dbraw/zinc/23/09/46/586230946.db2.gz CCNJEVQWTDGABI-UHFFFAOYSA-N 1 2 216.235 1.307 20 30 BDEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562930 586263447 /nfs/dbraw/zinc/26/34/47/586263447.db2.gz IHCMMVCXWXOYFC-VIFPVBQESA-N 1 2 232.274 1.892 20 30 BDEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562930 586263450 /nfs/dbraw/zinc/26/34/50/586263450.db2.gz IHCMMVCXWXOYFC-VIFPVBQESA-N 1 2 232.274 1.892 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CCO[C@@H](C)C#N)C(C)(C)C ZINC000801934883 586278351 /nfs/dbraw/zinc/27/83/51/586278351.db2.gz SYWUAUZQDXWKPW-VHSXEESVSA-N 1 2 242.319 1.092 20 30 BDEDLO CC(=[NH+]Nc1nnc[nH]1)c1ccc(N)cc1C ZINC000807996295 586456265 /nfs/dbraw/zinc/45/62/65/586456265.db2.gz OOFLLOGWENLYEX-UHFFFAOYSA-N 1 2 230.275 1.531 20 30 BDEDLO CC(=[NH+]Nc1ncn[nH]1)c1ccc(N(C)C)cc1 ZINC000807996399 586456311 /nfs/dbraw/zinc/45/63/11/586456311.db2.gz RRHHXYUPGBOFJZ-UHFFFAOYSA-N 1 2 244.302 1.707 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(C)on1)[C@H]1CCCO1 ZINC000810236804 586537430 /nfs/dbraw/zinc/53/74/30/586537430.db2.gz NQADTYSBSLQYNJ-GMXVVIOVSA-N 1 2 234.299 1.814 20 30 BDEDLO C=C(C)CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661122 586589255 /nfs/dbraw/zinc/58/92/55/586589255.db2.gz LURODDFASZXULK-JTQLQIEISA-N 1 2 228.292 1.114 20 30 BDEDLO COc1ccc(N[NH+]=Cc2cn(C)[nH]c2=O)cc1 ZINC000814225678 586618126 /nfs/dbraw/zinc/61/81/26/586618126.db2.gz VGMUZLYEOJUDDX-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO CCC(CC)N[NH+]=Cc1cn(C)[nH]c1=O ZINC000814222634 586618147 /nfs/dbraw/zinc/61/81/47/586618147.db2.gz DBRZMHRNPFDIAM-UHFFFAOYSA-N 1 2 210.281 1.238 20 30 BDEDLO C[C@@H](N[NH+]=Cc1cn(C)[nH]c1=O)c1ccccc1 ZINC000814220418 586618158 /nfs/dbraw/zinc/61/81/58/586618158.db2.gz WZJCNGMYFGVIND-SNVBAGLBSA-N 1 2 244.298 1.810 20 30 BDEDLO CC(C[NH+]1Cc2ccccc2C1)=NNC[C@H](C)O ZINC000814964980 586661306 /nfs/dbraw/zinc/66/13/06/586661306.db2.gz GVBKCWDXHDPZLF-LBPRGKRZSA-N 1 2 247.342 1.349 20 30 BDEDLO N#CCC[NH+]1CCC2(CC1)OCCCO2 ZINC000815157723 586670840 /nfs/dbraw/zinc/67/08/40/586670840.db2.gz IVGWWUWNCMOJBQ-UHFFFAOYSA-N 1 2 210.277 1.129 20 30 BDEDLO C#CCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000815585109 586688203 /nfs/dbraw/zinc/68/82/03/586688203.db2.gz YLRYIOACWGHGGR-NSHDSACASA-N 1 2 246.339 1.959 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000815594767 586688815 /nfs/dbraw/zinc/68/88/15/586688815.db2.gz XQIFNBDHPMEVBL-AGGWBTHJSA-N 1 2 246.354 1.200 20 30 BDEDLO C[C@H](O)CNN=C1CCc2ccc[nH+]c2CC1 ZINC000817329565 586795423 /nfs/dbraw/zinc/79/54/23/586795423.db2.gz NVLGWLOVJSGFKU-JTQLQIEISA-N 1 2 233.315 1.287 20 30 BDEDLO CCn1nc(C)c(C/[NH+]=C/c2ccccc2O)n1 ZINC000818992152 586920888 /nfs/dbraw/zinc/92/08/88/586920888.db2.gz NLEGWAWHXRQXHX-RIYZIHGNSA-N 1 2 244.298 1.931 20 30 BDEDLO C=CC(C)(C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819782333 586994666 /nfs/dbraw/zinc/99/46/66/586994666.db2.gz SQLPQMTXBFAPNC-ZETCQYMHSA-N 1 2 212.318 1.806 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1ncncc1F ZINC000819813086 586998080 /nfs/dbraw/zinc/99/80/80/586998080.db2.gz KKSMNUUDHHFZMS-UHFFFAOYSA-N 1 2 248.265 1.839 20 30 BDEDLO CCCOC(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000819915167 587002504 /nfs/dbraw/zinc/00/25/04/587002504.db2.gz BODVNNUWOGALOF-UHFFFAOYSA-N 1 2 247.298 1.439 20 30 BDEDLO C#C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822083606 587152078 /nfs/dbraw/zinc/15/20/78/587152078.db2.gz WOSHCXAHBYXOTJ-RYUDHWBXSA-N 1 2 233.315 1.608 20 30 BDEDLO CC(C)C#CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000822154823 587156984 /nfs/dbraw/zinc/15/69/84/587156984.db2.gz FGAULWPCVRPMST-LLVKDONJSA-N 1 2 219.288 1.047 20 30 BDEDLO CC(C)C[C@@H](C(=O)NCCC#N)n1cc[nH+]c1 ZINC000822502417 587172286 /nfs/dbraw/zinc/17/22/86/587172286.db2.gz OKWSRPBHPUPPOT-NSHDSACASA-N 1 2 234.303 1.500 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC000822959236 587195500 /nfs/dbraw/zinc/19/55/00/587195500.db2.gz GUHVGNNFCFYPBW-FOGDFJRCSA-N 1 2 245.326 1.677 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC000822959236 587195501 /nfs/dbraw/zinc/19/55/01/587195501.db2.gz GUHVGNNFCFYPBW-FOGDFJRCSA-N 1 2 245.326 1.677 20 30 BDEDLO CC(C)C#CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000823178997 587206877 /nfs/dbraw/zinc/20/68/77/587206877.db2.gz XLLFXEMPFFGJON-UHFFFAOYSA-N 1 2 231.299 1.746 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nn(CC)nc1C ZINC000824113578 587256428 /nfs/dbraw/zinc/25/64/28/587256428.db2.gz JPSDMLIBLQECNL-UHFFFAOYSA-N 1 2 208.309 1.614 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nn(CC)nc1C ZINC000824113578 587256429 /nfs/dbraw/zinc/25/64/29/587256429.db2.gz JPSDMLIBLQECNL-UHFFFAOYSA-N 1 2 208.309 1.614 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)C#CC(C)C ZINC000824894458 587291958 /nfs/dbraw/zinc/29/19/58/587291958.db2.gz FVBWJNQTCLRDHR-UHFFFAOYSA-N 1 2 218.256 1.688 20 30 BDEDLO C[C@@H](C#N)N(C(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000825104790 587305137 /nfs/dbraw/zinc/30/51/37/587305137.db2.gz DHHLNNRMFRSVID-YVGDHZEHSA-N 1 2 244.298 1.336 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC000825287954 587313015 /nfs/dbraw/zinc/31/30/15/587313015.db2.gz XDWOBMVOURFFOY-AWNIVKPZSA-N 1 2 232.327 1.286 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826717852 587359925 /nfs/dbraw/zinc/35/99/25/587359925.db2.gz KPXIZGWAUCZTAB-ZWNOBZJWSA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826717852 587359926 /nfs/dbraw/zinc/35/99/26/587359926.db2.gz KPXIZGWAUCZTAB-ZWNOBZJWSA-N 1 2 243.310 1.449 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc(F)c2O)C1 ZINC000826990604 587367418 /nfs/dbraw/zinc/36/74/18/587367418.db2.gz JTTCKSNHRNAMLO-UHFFFAOYSA-N 1 2 220.247 1.877 20 30 BDEDLO C#Cc1ccc(C[N@H+](C)Cc2nnc(C)o2)cc1 ZINC000827039076 587368600 /nfs/dbraw/zinc/36/86/00/587368600.db2.gz FUJYYBADDVCPKJ-UHFFFAOYSA-N 1 2 241.294 1.991 20 30 BDEDLO C#Cc1ccc(C[N@@H+](C)Cc2nnc(C)o2)cc1 ZINC000827039076 587368601 /nfs/dbraw/zinc/36/86/01/587368601.db2.gz FUJYYBADDVCPKJ-UHFFFAOYSA-N 1 2 241.294 1.991 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000827056791 587369430 /nfs/dbraw/zinc/36/94/30/587369430.db2.gz SCVGYCUJBAPPPA-FJOGCWAESA-N 1 2 243.310 1.305 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000827424204 587380855 /nfs/dbraw/zinc/38/08/55/587380855.db2.gz YGNJFPCIFUIIOQ-RYUDHWBXSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000827424204 587380856 /nfs/dbraw/zinc/38/08/56/587380856.db2.gz YGNJFPCIFUIIOQ-RYUDHWBXSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000827634545 587394094 /nfs/dbraw/zinc/39/40/94/587394094.db2.gz SPFZYCGLWJJHGP-SECBINFHSA-N 1 2 231.299 1.043 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000827634545 587394096 /nfs/dbraw/zinc/39/40/96/587394096.db2.gz SPFZYCGLWJJHGP-SECBINFHSA-N 1 2 231.299 1.043 20 30 BDEDLO C[S@@](=O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000827873091 587406149 /nfs/dbraw/zinc/40/61/49/587406149.db2.gz NSFCXSBUMPNQHF-OAHLLOKOSA-N 1 2 230.377 1.627 20 30 BDEDLO C[S@@](=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000827873091 587406150 /nfs/dbraw/zinc/40/61/50/587406150.db2.gz NSFCXSBUMPNQHF-OAHLLOKOSA-N 1 2 230.377 1.627 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCCO1 ZINC000828307554 587433229 /nfs/dbraw/zinc/43/32/29/587433229.db2.gz QFLFSHIXXXRIJL-ZIAGYGMSSA-N 1 2 241.294 1.224 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000829773620 587515278 /nfs/dbraw/zinc/51/52/78/587515278.db2.gz GXPBDCKGRPLZFS-NSHDSACASA-N 1 2 219.288 1.613 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000829773620 587515280 /nfs/dbraw/zinc/51/52/80/587515280.db2.gz GXPBDCKGRPLZFS-NSHDSACASA-N 1 2 219.288 1.613 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@@H](C#N)C2)c1 ZINC000830065495 587534767 /nfs/dbraw/zinc/53/47/67/587534767.db2.gz IZSFRHFKBMPLLG-ZWNMCFTASA-N 1 2 244.298 1.195 20 30 BDEDLO C#CC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000830305418 587545499 /nfs/dbraw/zinc/54/54/99/587545499.db2.gz NMKSPARMQBYTAF-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831608057 587623408 /nfs/dbraw/zinc/62/34/08/587623408.db2.gz ZRDFDWHLVPUEMV-ZJUUUORDSA-N 1 2 232.287 1.623 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nccn1CC)[C@H]1CCCO1 ZINC000834768245 587766382 /nfs/dbraw/zinc/76/63/82/587766382.db2.gz ABVSMZHVHQQBHE-RWMBFGLXSA-N 1 2 247.342 1.734 20 30 BDEDLO C#CCN(C)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867728043 587806521 /nfs/dbraw/zinc/80/65/21/587806521.db2.gz VTKMICJRDCFNIZ-SNVBAGLBSA-N 1 2 244.285 1.055 20 30 BDEDLO C#CCN(C)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867728043 587806522 /nfs/dbraw/zinc/80/65/22/587806522.db2.gz VTKMICJRDCFNIZ-SNVBAGLBSA-N 1 2 244.285 1.055 20 30 BDEDLO C=CCONC(=O)CSCC[NH+](CC)CC ZINC000837047837 587850856 /nfs/dbraw/zinc/85/08/56/587850856.db2.gz JKPXOBLXQQZVFW-UHFFFAOYSA-N 1 2 246.376 1.295 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)C#CC(C)(C)C)CC2 ZINC000837524151 587879737 /nfs/dbraw/zinc/87/97/37/587879737.db2.gz NWQZWHSVWTXWIA-UHFFFAOYSA-N 1 2 245.326 1.583 20 30 BDEDLO C=CC(C)(C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000837862102 587900140 /nfs/dbraw/zinc/90/01/40/587900140.db2.gz LUQLSSJEPYCQIL-LLVKDONJSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CC(C)(C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000837862102 587900142 /nfs/dbraw/zinc/90/01/42/587900142.db2.gz LUQLSSJEPYCQIL-LLVKDONJSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000837862673 587900863 /nfs/dbraw/zinc/90/08/63/587900863.db2.gz VRTKBZLWYDAEDF-UHFFFAOYSA-N 1 2 220.272 1.919 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)[C@H]1CCCO1 ZINC000840744971 587919147 /nfs/dbraw/zinc/91/91/47/587919147.db2.gz BHLTZSJTDZEJEJ-GMXVVIOVSA-N 1 2 233.315 1.252 20 30 BDEDLO CC(C)ON=CC(C)(C)[NH+]1CCOCC1 ZINC000841641829 587965370 /nfs/dbraw/zinc/96/53/70/587965370.db2.gz WZFXXLMJKRFMDC-UHFFFAOYSA-N 1 2 214.309 1.508 20 30 BDEDLO CC(C)(C=NOCC1CC1)[NH+]1CCOCC1 ZINC000841641198 587965695 /nfs/dbraw/zinc/96/56/95/587965695.db2.gz RPGUWIHGACCUPX-UHFFFAOYSA-N 1 2 226.320 1.510 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cnnn1CC ZINC000841869349 587979557 /nfs/dbraw/zinc/97/95/57/587979557.db2.gz PALXXNVNVBLPDV-UHFFFAOYSA-N 1 2 200.673 1.140 20 30 BDEDLO C[C@@H](O)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000842019015 587989417 /nfs/dbraw/zinc/98/94/17/587989417.db2.gz FCNCVTOEDKZJGO-MRVPVSSYSA-N 1 2 226.251 1.234 20 30 BDEDLO C#CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000844047522 588158224 /nfs/dbraw/zinc/15/82/24/588158224.db2.gz RCZAGGIJUSCNED-UHFFFAOYSA-N 1 2 231.299 1.132 20 30 BDEDLO NC(=O)[C@H]1C[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000844269698 588178506 /nfs/dbraw/zinc/17/85/06/588178506.db2.gz CURXHUBFPRYWKB-WLCJOOIUSA-N 1 2 218.256 1.075 20 30 BDEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000844282872 588180438 /nfs/dbraw/zinc/18/04/38/588180438.db2.gz YKPSQXNGXLDBAD-UWVGGRQHSA-N 1 2 238.291 1.077 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844289810 588181764 /nfs/dbraw/zinc/18/17/64/588181764.db2.gz HBDVSMFGNPYVAK-GXSJLCMTSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844289810 588181766 /nfs/dbraw/zinc/18/17/66/588181766.db2.gz HBDVSMFGNPYVAK-GXSJLCMTSA-N 1 2 237.303 1.061 20 30 BDEDLO CC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)=C1CCC1 ZINC000844528808 588200724 /nfs/dbraw/zinc/20/07/24/588200724.db2.gz ZGXRURHNRPWSJW-ZDUSSCGKSA-N 1 2 235.331 1.447 20 30 BDEDLO C#CCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282332 588225630 /nfs/dbraw/zinc/22/56/30/588225630.db2.gz NZHFFKQAVMRDLD-LLVKDONJSA-N 1 2 220.272 1.791 20 30 BDEDLO CC[C@@H](C#N)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283778 588225646 /nfs/dbraw/zinc/22/56/46/588225646.db2.gz GPQCEPYZYGPRED-ZJUUUORDSA-N 1 2 221.260 1.680 20 30 BDEDLO C=C(C)CONC(=O)NCc1[nH+]ccn1CC ZINC000845610417 588235821 /nfs/dbraw/zinc/23/58/21/588235821.db2.gz HLPNGIDYMRIDEI-UHFFFAOYSA-N 1 2 238.291 1.210 20 30 BDEDLO N#CCC[NH2+]Cc1cc2cnccc2o1 ZINC000845965318 588252111 /nfs/dbraw/zinc/25/21/11/588252111.db2.gz WVVLVNQMRYSILW-UHFFFAOYSA-N 1 2 201.229 1.831 20 30 BDEDLO C=C(C)CONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846532011 588270236 /nfs/dbraw/zinc/27/02/36/588270236.db2.gz KZWOBBCEOOPHJQ-SNVBAGLBSA-N 1 2 223.276 1.458 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2oncc2C(=O)OC)C1 ZINC000847019068 588302233 /nfs/dbraw/zinc/30/22/33/588302233.db2.gz OKRADAUPFBPCSC-JTQLQIEISA-N 1 2 248.282 1.306 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2oncc2C(=O)OC)C1 ZINC000847019068 588302234 /nfs/dbraw/zinc/30/22/34/588302234.db2.gz OKRADAUPFBPCSC-JTQLQIEISA-N 1 2 248.282 1.306 20 30 BDEDLO C=C(Cl)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000847510485 588315504 /nfs/dbraw/zinc/31/55/04/588315504.db2.gz WJJFETXAWGIAHG-UHFFFAOYSA-N 1 2 216.712 1.197 20 30 BDEDLO C#CCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847567447 588317173 /nfs/dbraw/zinc/31/71/73/588317173.db2.gz LYUXQIREXGREFN-LLVKDONJSA-N 1 2 233.315 1.508 20 30 BDEDLO C#CCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847567447 588317174 /nfs/dbraw/zinc/31/71/74/588317174.db2.gz LYUXQIREXGREFN-LLVKDONJSA-N 1 2 233.315 1.508 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000848274943 588369413 /nfs/dbraw/zinc/36/94/13/588369413.db2.gz GLVVSMVVDSAINQ-STQMWFEESA-N 1 2 245.326 1.706 20 30 BDEDLO CCn1cncc1C=NNCCCn1cc[nH+]c1 ZINC000848416130 588381264 /nfs/dbraw/zinc/38/12/64/588381264.db2.gz AECQUECYXDIRCA-UHFFFAOYSA-N 1 2 246.318 1.113 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1ccsc1 ZINC000848419108 588382070 /nfs/dbraw/zinc/38/20/70/588382070.db2.gz RHOVLOXLMGRHFJ-UHFFFAOYSA-N 1 2 234.328 1.958 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cnccn1 ZINC000848418661 588382542 /nfs/dbraw/zinc/38/25/42/588382542.db2.gz RNFRRMPNHGCLFV-UHFFFAOYSA-N 1 2 244.302 1.077 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cccnc1 ZINC000848419972 588382997 /nfs/dbraw/zinc/38/29/97/588382997.db2.gz LGJDVCCMLRXMPJ-UHFFFAOYSA-N 1 2 243.314 1.682 20 30 BDEDLO COc1c(C)[nH+]cnc1N1CCC(C#N)CC1 ZINC000848659672 588404205 /nfs/dbraw/zinc/40/42/05/588404205.db2.gz PCSNVZGYXPREFN-UHFFFAOYSA-N 1 2 232.287 1.534 20 30 BDEDLO O=C1N/C(=N/C2CC2)SC1=Cc1[nH]cc[nH+]1 ZINC000849252139 588464196 /nfs/dbraw/zinc/46/41/96/588464196.db2.gz QOGJMNQWRXQJTF-FNORWQNLSA-N 1 2 234.284 1.132 20 30 BDEDLO O=C1NC(=NC2CC2)SC1=Cc1[nH]cc[nH+]1 ZINC000849252139 588464197 /nfs/dbraw/zinc/46/41/97/588464197.db2.gz QOGJMNQWRXQJTF-FNORWQNLSA-N 1 2 234.284 1.132 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCc1c[nH+]cn1C ZINC000850869482 588572250 /nfs/dbraw/zinc/57/22/50/588572250.db2.gz WERZDCOHBYNINJ-QMMMGPOBSA-N 1 2 207.233 1.013 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1CCCO1 ZINC000110055462 588609711 /nfs/dbraw/zinc/60/97/11/588609711.db2.gz AFMBXWVBOVHMLX-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H]1CCCO1 ZINC000110055462 588609712 /nfs/dbraw/zinc/60/97/12/588609712.db2.gz AFMBXWVBOVHMLX-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccccn1 ZINC000851785598 588628237 /nfs/dbraw/zinc/62/82/37/588628237.db2.gz QYWHLZMFLJLEIY-CQSZACIVSA-N 1 2 228.295 1.074 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccccn1 ZINC000851785598 588628238 /nfs/dbraw/zinc/62/82/38/588628238.db2.gz QYWHLZMFLJLEIY-CQSZACIVSA-N 1 2 228.295 1.074 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851810152 588632026 /nfs/dbraw/zinc/63/20/26/588632026.db2.gz XSGWJJHBNCEKNZ-JQWIXIFHSA-N 1 2 219.288 1.349 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851810152 588632027 /nfs/dbraw/zinc/63/20/27/588632027.db2.gz XSGWJJHBNCEKNZ-JQWIXIFHSA-N 1 2 219.288 1.349 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1noc(C)n1 ZINC000852103722 588663676 /nfs/dbraw/zinc/66/36/76/588663676.db2.gz POOYAVPATQNSQN-GZMMTYOYSA-N 1 2 207.277 1.831 20 30 BDEDLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319322 588677890 /nfs/dbraw/zinc/67/78/90/588677890.db2.gz KDMBROKOAYYDFX-LBPRGKRZSA-N 1 2 238.331 1.811 20 30 BDEDLO CC(C)COC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319322 588677891 /nfs/dbraw/zinc/67/78/91/588677891.db2.gz KDMBROKOAYYDFX-LBPRGKRZSA-N 1 2 238.331 1.811 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC(C)C)[C@H](C)COC ZINC000852357209 588679968 /nfs/dbraw/zinc/67/99/68/588679968.db2.gz XQRBFRHASYUOST-GFCCVEGCSA-N 1 2 243.347 1.709 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC(C)C)[C@H](C)COC ZINC000852357209 588679969 /nfs/dbraw/zinc/67/99/69/588679969.db2.gz XQRBFRHASYUOST-GFCCVEGCSA-N 1 2 243.347 1.709 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nnc(C)s1 ZINC000852750561 588699919 /nfs/dbraw/zinc/69/99/19/588699919.db2.gz YKIZYFILZBBSQT-UHFFFAOYSA-N 1 2 239.344 1.318 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nnc(C)s1 ZINC000852750561 588699920 /nfs/dbraw/zinc/69/99/20/588699920.db2.gz YKIZYFILZBBSQT-UHFFFAOYSA-N 1 2 239.344 1.318 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nccn1CC ZINC000852751191 588700252 /nfs/dbraw/zinc/70/02/52/588700252.db2.gz RZTYDRKEZYOHFB-UHFFFAOYSA-N 1 2 235.331 1.375 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nccn1CC ZINC000852751191 588700253 /nfs/dbraw/zinc/70/02/53/588700253.db2.gz RZTYDRKEZYOHFB-UHFFFAOYSA-N 1 2 235.331 1.375 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cnc(C)o1)[C@@H]1CCCO1 ZINC000862330765 589201482 /nfs/dbraw/zinc/20/14/82/589201482.db2.gz DJPMNFKSGCPETD-RYUDHWBXSA-N 1 2 220.272 1.253 20 30 BDEDLO CC(C)(O)CN=NC1CCc2ccc[nH+]c2CC1 ZINC000863137151 589261938 /nfs/dbraw/zinc/26/19/38/589261938.db2.gz RTXWJYNVOOLHLR-UHFFFAOYSA-N 1 2 247.342 1.677 20 30 BDEDLO Cc1[nH+]cc(CN=Nc2cccc(C)n2)n1C ZINC000863160472 589265002 /nfs/dbraw/zinc/26/50/02/589265002.db2.gz GLABCBNKMUDALL-UHFFFAOYSA-N 1 2 229.287 1.878 20 30 BDEDLO CC(CSCCF)=[NH+]n1cccn1 ZINC000863162481 589265674 /nfs/dbraw/zinc/26/56/74/589265674.db2.gz LMTBEAAHEAVETP-UHFFFAOYSA-N 1 2 201.270 1.810 20 30 BDEDLO CS(=O)(=O)[C@H]1CCCCC1=[NH+]n1cccn1 ZINC000863165786 589266816 /nfs/dbraw/zinc/26/68/16/589266816.db2.gz ODAZXQGWRQACMV-JTQLQIEISA-N 1 2 241.316 1.074 20 30 BDEDLO C=CCOCSc1[nH+]cnc2c1cnn2C ZINC000865350665 589423452 /nfs/dbraw/zinc/42/34/52/589423452.db2.gz PGJWTZQYFZRVEY-UHFFFAOYSA-N 1 2 236.300 1.616 20 30 BDEDLO CN(C)c1ccc(C#N)cc1C[NH2+]CC(F)F ZINC000865565523 589446765 /nfs/dbraw/zinc/44/67/65/589446765.db2.gz ZFVFRDKAQKYNBW-UHFFFAOYSA-N 1 2 239.269 1.979 20 30 BDEDLO N#CC[N@@H+](CC[C@@H]1CCOC1=O)C1CCCC1 ZINC000120678390 589453414 /nfs/dbraw/zinc/45/34/14/589453414.db2.gz UMKFCJSFPUNWDB-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO N#CC[N@H+](CC[C@@H]1CCOC1=O)C1CCCC1 ZINC000120678390 589453416 /nfs/dbraw/zinc/45/34/16/589453416.db2.gz UMKFCJSFPUNWDB-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO C#C[C@H](C)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000865731793 589458838 /nfs/dbraw/zinc/45/88/38/589458838.db2.gz ZYYLUSCHKRUCJZ-UWVGGRQHSA-N 1 2 204.273 1.593 20 30 BDEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccnn1C ZINC000865839474 589464290 /nfs/dbraw/zinc/46/42/90/589464290.db2.gz XXDCKWDIVGDOPZ-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO C#CCCNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865852667 589465130 /nfs/dbraw/zinc/46/51/30/589465130.db2.gz VWOBTEVUXBNPGB-JTQLQIEISA-N 1 2 244.285 1.103 20 30 BDEDLO C#CCCNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000865852667 589465131 /nfs/dbraw/zinc/46/51/31/589465131.db2.gz VWOBTEVUXBNPGB-JTQLQIEISA-N 1 2 244.285 1.103 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc(C#N)c1O ZINC000866259340 589483445 /nfs/dbraw/zinc/48/34/45/589483445.db2.gz LNQGGINFGPMJKR-GHMZBOCLSA-N 1 2 247.342 1.865 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(C#N)c1O ZINC000866260829 589483493 /nfs/dbraw/zinc/48/34/93/589483493.db2.gz XYUORUKATLIMGX-CMPLNLGQSA-N 1 2 245.326 1.619 20 30 BDEDLO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C#N)c1O ZINC000866393783 589489888 /nfs/dbraw/zinc/48/98/88/589489888.db2.gz RUBMJBAEXIRIRH-FBIMIBRVSA-N 1 2 232.283 1.438 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867880075 589538063 /nfs/dbraw/zinc/53/80/63/589538063.db2.gz JMXYIAWTNGBXCF-GXSJLCMTSA-N 1 2 235.287 1.010 20 30 BDEDLO C[C@H](C#N)OC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000869973000 589640601 /nfs/dbraw/zinc/64/06/01/589640601.db2.gz WLRSVKMHLSHDNC-MRVPVSSYSA-N 1 2 247.229 1.471 20 30 BDEDLO N#Cc1cnn(Cc2[nH+]ccn2CC(F)F)c1 ZINC000871672261 589787367 /nfs/dbraw/zinc/78/73/67/589787367.db2.gz YCHIMEOKCSTXQH-UHFFFAOYSA-N 1 2 237.213 1.265 20 30 BDEDLO CC(C)OCC(N)=[NH+]OCc1ccc(C#N)o1 ZINC000871727154 589798753 /nfs/dbraw/zinc/79/87/53/589798753.db2.gz HCHIDSMEDTWFGC-UHFFFAOYSA-N 1 2 237.259 1.575 20 30 BDEDLO Cc1nn(CCC#N)c(C)c1[C@H]1COCC[N@H+]1C ZINC000871985756 589853838 /nfs/dbraw/zinc/85/38/38/589853838.db2.gz ACZXFPFQEMOWQO-GFCCVEGCSA-N 1 2 248.330 1.417 20 30 BDEDLO Cc1nn(CCC#N)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000871985756 589853840 /nfs/dbraw/zinc/85/38/40/589853840.db2.gz ACZXFPFQEMOWQO-GFCCVEGCSA-N 1 2 248.330 1.417 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872601260 589956106 /nfs/dbraw/zinc/95/61/06/589956106.db2.gz ODVUCGWKHIMCKY-GFCCVEGCSA-N 1 2 234.343 1.690 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872601260 589956107 /nfs/dbraw/zinc/95/61/07/589956107.db2.gz ODVUCGWKHIMCKY-GFCCVEGCSA-N 1 2 234.343 1.690 20 30 BDEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)o1 ZINC000873362203 590030505 /nfs/dbraw/zinc/03/05/05/590030505.db2.gz WZDKLWYMANSDQA-LBPRGKRZSA-N 1 2 248.282 1.679 20 30 BDEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)o1 ZINC000873362203 590030507 /nfs/dbraw/zinc/03/05/07/590030507.db2.gz WZDKLWYMANSDQA-LBPRGKRZSA-N 1 2 248.282 1.679 20 30 BDEDLO Nc1ccc(NC(=O)C#CC2CC2)c[nH+]1 ZINC000876522763 590207829 /nfs/dbraw/zinc/20/78/29/590207829.db2.gz BHFWXBWIPNGNAZ-UHFFFAOYSA-N 1 2 201.229 1.016 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C#N)n1 ZINC000876750162 590238414 /nfs/dbraw/zinc/23/84/14/590238414.db2.gz QRKJCNSPVJXTBX-UHFFFAOYSA-N 1 2 223.279 1.412 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(C#N)n1 ZINC000876750162 590238416 /nfs/dbraw/zinc/23/84/16/590238416.db2.gz QRKJCNSPVJXTBX-UHFFFAOYSA-N 1 2 223.279 1.412 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877426644 590325195 /nfs/dbraw/zinc/32/51/95/590325195.db2.gz NZEJAQHLDKJCFO-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877426644 590325198 /nfs/dbraw/zinc/32/51/98/590325198.db2.gz NZEJAQHLDKJCFO-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO COC(=O)c1csc(C[NH2+]CCC#N)c1 ZINC000877483400 590338177 /nfs/dbraw/zinc/33/81/77/590338177.db2.gz MPRLWIHEFYJHKS-UHFFFAOYSA-N 1 2 224.285 1.538 20 30 BDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CC(C)(O)C1 ZINC000877581106 590365361 /nfs/dbraw/zinc/36/53/61/590365361.db2.gz NRDBKUGLNPHHQN-UHFFFAOYSA-N 1 2 245.326 1.191 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](CC(C)C)OC)C(=O)OC ZINC000877584106 590366653 /nfs/dbraw/zinc/36/66/53/590366653.db2.gz XFCYAAHQBGXYJP-NEPJUHHUSA-N 1 2 241.331 1.202 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C(=O)OC ZINC000877584112 590367144 /nfs/dbraw/zinc/36/71/44/590367144.db2.gz XFCYAAHQBGXYJP-VXGBXAGGSA-N 1 2 241.331 1.202 20 30 BDEDLO C=C(C)C[C@H](NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000877690288 590392867 /nfs/dbraw/zinc/39/28/67/590392867.db2.gz PVFWBOHKAQFTJS-JTQLQIEISA-N 1 2 237.303 1.316 20 30 BDEDLO CC1([NH2+]Cc2cc(C#N)cnc2Cl)COC1 ZINC000877691518 590393354 /nfs/dbraw/zinc/39/33/54/590393354.db2.gz PHMLSKUVAOWSFX-UHFFFAOYSA-N 1 2 237.690 1.485 20 30 BDEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCOCC1 ZINC000877961085 590458860 /nfs/dbraw/zinc/45/88/60/590458860.db2.gz DPYRPFLKJKBDNC-UHFFFAOYSA-N 1 2 240.347 1.037 20 30 BDEDLO CCN(C#N)CC[N@H+](CCC#N)CC(C)C ZINC000878122192 590499712 /nfs/dbraw/zinc/49/97/12/590499712.db2.gz UMBYNKGEMJKFEM-UHFFFAOYSA-N 1 2 222.336 1.661 20 30 BDEDLO CCN(C#N)CC[N@@H+](CCC#N)CC(C)C ZINC000878122192 590499714 /nfs/dbraw/zinc/49/97/14/590499714.db2.gz UMBYNKGEMJKFEM-UHFFFAOYSA-N 1 2 222.336 1.661 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCc1ccccn1 ZINC000878310580 590540049 /nfs/dbraw/zinc/54/00/49/590540049.db2.gz ZDILAUXJPFQSOR-CYBMUJFWSA-N 1 2 248.326 1.674 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCc1ccccn1 ZINC000878310580 590540050 /nfs/dbraw/zinc/54/00/50/590540050.db2.gz ZDILAUXJPFQSOR-CYBMUJFWSA-N 1 2 248.326 1.674 20 30 BDEDLO C#CCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000878541740 590589068 /nfs/dbraw/zinc/58/90/68/590589068.db2.gz RIZPOOYEULUYRZ-RYUDHWBXSA-N 1 2 241.306 1.765 20 30 BDEDLO C#CCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000878541740 590589069 /nfs/dbraw/zinc/58/90/69/590589069.db2.gz RIZPOOYEULUYRZ-RYUDHWBXSA-N 1 2 241.306 1.765 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000878659403 590604697 /nfs/dbraw/zinc/60/46/97/590604697.db2.gz CYDWDMPNEPHSGX-CMPLNLGQSA-N 1 2 229.295 1.928 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000878659403 590604698 /nfs/dbraw/zinc/60/46/98/590604698.db2.gz CYDWDMPNEPHSGX-CMPLNLGQSA-N 1 2 229.295 1.928 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C)cn1 ZINC000878668903 590606515 /nfs/dbraw/zinc/60/65/15/590606515.db2.gz LVJFJIYWYVPRQK-ZDUSSCGKSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)cn1 ZINC000878668903 590606517 /nfs/dbraw/zinc/60/65/17/590606517.db2.gz LVJFJIYWYVPRQK-ZDUSSCGKSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000878677639 590608088 /nfs/dbraw/zinc/60/80/88/590608088.db2.gz KLUUDLWWPYWOBV-OUAUKWLOSA-N 1 2 227.304 1.261 20 30 BDEDLO Cc1conc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878771524 590620563 /nfs/dbraw/zinc/62/05/63/590620563.db2.gz NZMLDOJIVHIFIG-VXGBXAGGSA-N 1 2 248.330 1.401 20 30 BDEDLO C#CC[N@@H+](Cc1ncccc1C)C1CSC1 ZINC000878909748 590646951 /nfs/dbraw/zinc/64/69/51/590646951.db2.gz IZNVMRXIHHMUPT-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@H+](Cc1ncccc1C)C1CSC1 ZINC000878909748 590646953 /nfs/dbraw/zinc/64/69/53/590646953.db2.gz IZNVMRXIHHMUPT-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(C)c1C)C1CSC1 ZINC000878912251 590648499 /nfs/dbraw/zinc/64/84/99/590648499.db2.gz AEZIUDQXEADZQW-UHFFFAOYSA-N 1 2 235.356 1.279 20 30 BDEDLO C#CC[N@H+](Cc1cnn(C)c1C)C1CSC1 ZINC000878912251 590648504 /nfs/dbraw/zinc/64/85/04/590648504.db2.gz AEZIUDQXEADZQW-UHFFFAOYSA-N 1 2 235.356 1.279 20 30 BDEDLO CCN(Cc1[nH+]ccn1CC(F)F)[C@H](C)C#N ZINC000878989399 590670064 /nfs/dbraw/zinc/67/00/64/590670064.db2.gz VSUZRKMKSQDZGX-SECBINFHSA-N 1 2 242.273 1.882 20 30 BDEDLO C#CC(C)(C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000879074490 590693291 /nfs/dbraw/zinc/69/32/91/590693291.db2.gz UPQXKLIORWUUMA-UHFFFAOYSA-N 1 2 231.299 1.654 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1c[nH]nc1C ZINC000879188042 590710926 /nfs/dbraw/zinc/71/09/26/590710926.db2.gz GKSQIPYHCALBHU-LLVKDONJSA-N 1 2 237.303 1.268 20 30 BDEDLO CCOCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000127811156 590787761 /nfs/dbraw/zinc/78/77/61/590787761.db2.gz YNTWMRFUIYRTQM-UHFFFAOYSA-N 1 2 244.241 1.638 20 30 BDEDLO C=C(C)C[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879981828 590903648 /nfs/dbraw/zinc/90/36/48/590903648.db2.gz XPAIHAFHPINNHO-NSHDSACASA-N 1 2 211.305 1.884 20 30 BDEDLO C#CC1(F)CN(c2cc(C)[nH+]c(CC)n2)C1 ZINC000882886043 591463532 /nfs/dbraw/zinc/46/35/32/591463532.db2.gz AGQXJYOEYJUZDD-UHFFFAOYSA-N 1 2 219.263 1.509 20 30 BDEDLO C#CCC1(O)CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000882967604 591487312 /nfs/dbraw/zinc/48/73/12/591487312.db2.gz MHHNEZFDUYYRRZ-UHFFFAOYSA-N 1 2 245.326 1.448 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC000134986024 591967742 /nfs/dbraw/zinc/96/77/42/591967742.db2.gz VLPKQICEXPWMHQ-AWEZNQCLSA-N 1 2 234.343 1.366 20 30 BDEDLO N#CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885972397 592118824 /nfs/dbraw/zinc/11/88/24/592118824.db2.gz BJOCFBRQVRXFFC-UHFFFAOYSA-N 1 2 246.270 1.725 20 30 BDEDLO CC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](C)C#N ZINC000886283674 592200058 /nfs/dbraw/zinc/20/00/58/592200058.db2.gz DKTVBLXRFQVGKZ-VXGBXAGGSA-N 1 2 235.331 1.665 20 30 BDEDLO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](C)C#N ZINC000886283674 592200060 /nfs/dbraw/zinc/20/00/60/592200060.db2.gz DKTVBLXRFQVGKZ-VXGBXAGGSA-N 1 2 235.331 1.665 20 30 BDEDLO C#CCC1([NH2+]Cc2ccn[nH]2)CCOCC1 ZINC000886381876 592222054 /nfs/dbraw/zinc/22/20/54/592222054.db2.gz WKMCGAPMIUWFIN-UHFFFAOYSA-N 1 2 219.288 1.072 20 30 BDEDLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H](C)CC#N)C2 ZINC000886607990 592273710 /nfs/dbraw/zinc/27/37/10/592273710.db2.gz FLVCKWSYHLOGMX-JTQLQIEISA-N 1 2 246.314 1.337 20 30 BDEDLO C=CCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887073644 592435046 /nfs/dbraw/zinc/43/50/46/592435046.db2.gz DCJIVOLEKSKAQM-SECBINFHSA-N 1 2 215.318 1.153 20 30 BDEDLO C=CCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887073644 592435050 /nfs/dbraw/zinc/43/50/50/592435050.db2.gz DCJIVOLEKSKAQM-SECBINFHSA-N 1 2 215.318 1.153 20 30 BDEDLO CC#CCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890107630 592683141 /nfs/dbraw/zinc/68/31/41/592683141.db2.gz NUQNIXAFDPYLQX-UHFFFAOYSA-N 1 2 219.288 1.230 20 30 BDEDLO Cn1c[nH+]c(CNC(=O)C2(C#N)CCCCC2)c1 ZINC000890114401 592685514 /nfs/dbraw/zinc/68/55/14/592685514.db2.gz JTFVTLJJXBIQSP-UHFFFAOYSA-N 1 2 246.314 1.510 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000312960875 634422760 /nfs/dbraw/zinc/42/27/60/634422760.db2.gz YSWGUWSGSXVDDE-UHFFFAOYSA-N 1 2 223.316 1.673 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000312960875 634422763 /nfs/dbraw/zinc/42/27/63/634422763.db2.gz YSWGUWSGSXVDDE-UHFFFAOYSA-N 1 2 223.316 1.673 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000932158739 635608714 /nfs/dbraw/zinc/60/87/14/635608714.db2.gz BGHSWSPLJXBLFW-GFCCVEGCSA-N 1 2 243.310 1.521 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000932158739 635608717 /nfs/dbraw/zinc/60/87/17/635608717.db2.gz BGHSWSPLJXBLFW-GFCCVEGCSA-N 1 2 243.310 1.521 20 30 BDEDLO N#Cc1c(C[N@H+]2CC[C@H]2CO)cn2ccccc12 ZINC000934026981 631607648 /nfs/dbraw/zinc/60/76/48/631607648.db2.gz IMPUDUJZWLAZMM-LBPRGKRZSA-N 1 2 241.294 1.378 20 30 BDEDLO N#Cc1c(C[N@@H+]2CC[C@H]2CO)cn2ccccc12 ZINC000934026981 631607652 /nfs/dbraw/zinc/60/76/52/631607652.db2.gz IMPUDUJZWLAZMM-LBPRGKRZSA-N 1 2 241.294 1.378 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CO)c(F)c1 ZINC000934030758 631631365 /nfs/dbraw/zinc/63/13/65/631631365.db2.gz OBLBNQVWRVZMDD-LLVKDONJSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CO)c(F)c1 ZINC000934030758 631631368 /nfs/dbraw/zinc/63/13/68/631631368.db2.gz OBLBNQVWRVZMDD-LLVKDONJSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]2CO)c1 ZINC000934030450 631631890 /nfs/dbraw/zinc/63/18/90/631631890.db2.gz LKGQOYONCJJSOM-NSHDSACASA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934030450 631631893 /nfs/dbraw/zinc/63/18/93/631631893.db2.gz LKGQOYONCJJSOM-NSHDSACASA-N 1 2 220.247 1.264 20 30 BDEDLO C=C(C)C[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934276273 631757608 /nfs/dbraw/zinc/75/76/08/631757608.db2.gz SVAQVFGXIGKRHJ-JTQLQIEISA-N 1 2 249.314 1.904 20 30 BDEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934276273 631757611 /nfs/dbraw/zinc/75/76/11/631757611.db2.gz SVAQVFGXIGKRHJ-JTQLQIEISA-N 1 2 249.314 1.904 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC2)C1 ZINC001006520748 631984861 /nfs/dbraw/zinc/98/48/61/631984861.db2.gz KGGBOCWWCPLXKJ-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC2)C1 ZINC001006520748 631984862 /nfs/dbraw/zinc/98/48/62/631984862.db2.gz KGGBOCWWCPLXKJ-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO C=CCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000292043954 631987188 /nfs/dbraw/zinc/98/71/88/631987188.db2.gz RCRUYEDRZOQMFP-UHFFFAOYSA-N 1 2 222.292 1.138 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)cs1)[C@@H]1CCCO1 ZINC000309728584 632661873 /nfs/dbraw/zinc/66/18/73/632661873.db2.gz YYLMZGOFMQRIAO-MNOVXSKESA-N 1 2 236.340 1.722 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cc(C)no1)[C@@H]1CCCO1 ZINC000309874967 632677694 /nfs/dbraw/zinc/67/76/94/632677694.db2.gz SGNNKQFPBGBJJK-RYUDHWBXSA-N 1 2 220.272 1.253 20 30 BDEDLO COC[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000178307941 633230350 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640003714 /nfs/dbraw/zinc/00/37/14/640003714.db2.gz WRJXNKUHFQOGTN-OLZOCXBDSA-N 1 2 234.274 1.847 20 30 BDEDLO Cc1nnc(CC[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000931063690 640050986 /nfs/dbraw/zinc/05/09/86/640050986.db2.gz SRZINCJNJVWJBE-NSHDSACASA-N 1 2 220.276 1.156 20 30 BDEDLO Cc1nnc(CC[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000931063690 640050992 /nfs/dbraw/zinc/05/09/92/640050992.db2.gz SRZINCJNJVWJBE-NSHDSACASA-N 1 2 220.276 1.156 20 30 BDEDLO C#CCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141201 640076886 /nfs/dbraw/zinc/07/68/86/640076886.db2.gz QLAXHSOXDKAISL-JTQLQIEISA-N 1 2 204.277 1.355 20 30 BDEDLO C#CCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141201 640076893 /nfs/dbraw/zinc/07/68/93/640076893.db2.gz QLAXHSOXDKAISL-JTQLQIEISA-N 1 2 204.277 1.355 20 30 BDEDLO CC(C)(C)C#CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614340 640136904 /nfs/dbraw/zinc/13/69/04/640136904.db2.gz LOOFSTQCPLWTLG-UHFFFAOYSA-N 1 2 247.342 1.784 20 30 BDEDLO N#Cc1cc(Cl)cc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000931703362 640327834 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ZINC001030910075 641416803 /nfs/dbraw/zinc/41/68/03/641416803.db2.gz LNMOOLWAGVSJBL-JSGCOSHPSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001030979933 641558664 /nfs/dbraw/zinc/55/86/64/641558664.db2.gz SNGBNGPOEUFRHI-ZYHUDNBSSA-N 1 2 222.332 1.409 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(C)CC)C1 ZINC001031176889 641776030 /nfs/dbraw/zinc/77/60/30/641776030.db2.gz YHKBABCVLGRVBD-JSGCOSHPSA-N 1 2 234.343 1.246 20 30 BDEDLO C=CCCC[N@@H+](C)Cn1ncn(C)c1=S ZINC000076664997 641820113 /nfs/dbraw/zinc/82/01/13/641820113.db2.gz RHRMTKDOENSRFS-UHFFFAOYSA-N 1 2 226.349 1.807 20 30 BDEDLO C=CCCC[N@H+](C)Cn1ncn(C)c1=S ZINC000076664997 641820119 /nfs/dbraw/zinc/82/01/19/641820119.db2.gz RHRMTKDOENSRFS-UHFFFAOYSA-N 1 2 226.349 1.807 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000949728458 641858072 /nfs/dbraw/zinc/85/80/72/641858072.db2.gz AHAFGQDYJUAYJF-LLVKDONJSA-N 1 2 228.311 1.311 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000949769269 641861950 /nfs/dbraw/zinc/86/19/50/641861950.db2.gz HWTQJJFRKWOZDP-UHFFFAOYSA-N 1 2 236.359 1.753 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031292048 641874151 /nfs/dbraw/zinc/87/41/51/641874151.db2.gz FVDUJVFJFDOHSZ-UHFFFAOYSA-N 1 2 210.321 1.409 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC000950429836 641920089 /nfs/dbraw/zinc/92/00/89/641920089.db2.gz ICHHJSKDPRUXCW-UHFFFAOYSA-N 1 2 234.343 1.507 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H](C(C)C)CC1=O ZINC000154975858 642336899 /nfs/dbraw/zinc/33/68/99/642336899.db2.gz VYGPNVSOKAJGCF-NSHDSACASA-N 1 2 210.321 1.566 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H](C(C)C)CC1=O ZINC000154975858 642336909 /nfs/dbraw/zinc/33/69/09/642336909.db2.gz VYGPNVSOKAJGCF-NSHDSACASA-N 1 2 210.321 1.566 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1snnc1C ZINC000308121217 642407511 /nfs/dbraw/zinc/40/75/11/642407511.db2.gz QEOKRFXAWYDCJI-UHFFFAOYSA-N 1 2 203.698 1.689 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC)C1 ZINC000964525018 642755419 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ZINC001032270541 643423385 /nfs/dbraw/zinc/42/33/85/643423385.db2.gz UEMRJPHWGWQMFX-IHRRRGAJSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCC1 ZINC001032270541 643423387 /nfs/dbraw/zinc/42/33/87/643423387.db2.gz UEMRJPHWGWQMFX-IHRRRGAJSA-N 1 2 244.338 1.261 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC ZINC001032285991 643448518 /nfs/dbraw/zinc/44/85/18/643448518.db2.gz TZNLFKXEIBIOBL-AGIUHOORSA-N 1 2 234.343 1.341 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC ZINC001032285991 643448522 /nfs/dbraw/zinc/44/85/22/643448522.db2.gz TZNLFKXEIBIOBL-AGIUHOORSA-N 1 2 234.343 1.341 20 30 BDEDLO C=C(Br)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000307618660 643540132 /nfs/dbraw/zinc/54/01/32/643540132.db2.gz ZMOZDLJEJANURT-BDAKNGLRSA-N 1 2 232.121 1.209 20 30 BDEDLO C=C(Br)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000307618660 643540138 /nfs/dbraw/zinc/54/01/38/643540138.db2.gz ZMOZDLJEJANURT-BDAKNGLRSA-N 1 2 232.121 1.209 20 30 BDEDLO N#CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000085789506 643623400 /nfs/dbraw/zinc/62/34/00/643623400.db2.gz VGCYEEGKPVYBDH-LLVKDONJSA-N 1 2 201.273 1.962 20 30 BDEDLO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ncnn1C ZINC000922046541 643854265 /nfs/dbraw/zinc/85/42/65/643854265.db2.gz RGEMHMWWBPDZHM-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CCC(F)(F)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922760787 644089720 /nfs/dbraw/zinc/08/97/20/644089720.db2.gz CZJNUVCYMOXGKV-UHFFFAOYSA-N 1 2 242.225 1.918 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000951175850 644202294 /nfs/dbraw/zinc/20/22/94/644202294.db2.gz AGLQMRLSWIKMSX-QWHCGFSZSA-N 1 2 236.359 1.753 20 30 BDEDLO C(=NNc1cc[nH+]c2ccccc12)c1cc[nH]n1 ZINC000755699455 644619106 /nfs/dbraw/zinc/61/91/06/644619106.db2.gz FWRHWTADULLTJP-UHFFFAOYSA-N 1 2 237.266 1.826 20 30 BDEDLO CC[C@@H](C)CO[NH+]=C(N)Cc1cccnc1 ZINC000092917045 644672858 /nfs/dbraw/zinc/67/28/58/644672858.db2.gz QZPYZXGMFHHDKW-SNVBAGLBSA-N 1 2 221.304 1.959 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)CC#N ZINC000809573277 644892293 /nfs/dbraw/zinc/89/22/93/644892293.db2.gz GLKHMNYIDGCXEQ-CQSZACIVSA-N 1 2 246.285 1.535 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)CC#N ZINC000809573277 644892295 /nfs/dbraw/zinc/89/22/95/644892295.db2.gz GLKHMNYIDGCXEQ-CQSZACIVSA-N 1 2 246.285 1.535 20 30 BDEDLO C#CC1CC[NH+](Cc2ncnn2CCC)CC1 ZINC000830345385 645120563 /nfs/dbraw/zinc/12/05/63/645120563.db2.gz BGCFMTVEYLUYFU-UHFFFAOYSA-N 1 2 232.331 1.533 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000834364023 645140426 /nfs/dbraw/zinc/14/04/26/645140426.db2.gz QGDHMFRLKFIMGV-IJLUTSLNSA-N 1 2 245.326 1.442 20 30 BDEDLO C#CCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845649974 645376404 /nfs/dbraw/zinc/37/64/04/645376404.db2.gz XKMXCJDMJOVXOI-UHFFFAOYSA-N 1 2 245.326 1.292 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(F)n2)C1 ZINC000852205104 645473294 /nfs/dbraw/zinc/47/32/94/645473294.db2.gz IRYXSKCMEOTTQR-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852205104 645473298 /nfs/dbraw/zinc/47/32/98/645473298.db2.gz IRYXSKCMEOTTQR-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO C[C@@H](CC(=O)N1CCC[C@H](C#N)C1)n1cc[nH+]c1 ZINC000928214408 645711864 /nfs/dbraw/zinc/71/18/64/645711864.db2.gz MUZRUWXBXIIZMI-NWDGAFQWSA-N 1 2 246.314 1.596 20 30 BDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cnn(C)n1 ZINC000924638604 646083047 /nfs/dbraw/zinc/08/30/47/646083047.db2.gz FKHHWPAYOZMCGP-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO CCOC(=O)/C=C\C[N@H+](CCC#N)CC1CC1 ZINC000929775834 646302705 /nfs/dbraw/zinc/30/27/05/646302705.db2.gz VOZOFAMPNDYNFK-HYXAFXHYSA-N 1 2 236.315 1.731 20 30 BDEDLO CCOC(=O)/C=C\C[N@@H+](CCC#N)CC1CC1 ZINC000929775834 646302709 /nfs/dbraw/zinc/30/27/09/646302709.db2.gz VOZOFAMPNDYNFK-HYXAFXHYSA-N 1 2 236.315 1.731 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)[C@@H]1CCCO1 ZINC000926208871 646596103 /nfs/dbraw/zinc/59/61/03/646596103.db2.gz BIEFKDNEKIWVSE-KXNHARMFSA-N 1 2 246.314 1.054 20 30 BDEDLO CC[C@@H]([NH2+]CCN(C)C)c1cccc(C#N)c1O ZINC000926420826 646633756 /nfs/dbraw/zinc/63/37/56/646633756.db2.gz MZJVZTRBAIKPJM-CYBMUJFWSA-N 1 2 247.342 1.866 20 30 BDEDLO C#CCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309555695 711699234 /nfs/dbraw/zinc/69/92/34/711699234.db2.gz MKAGBLYYLZSFEI-UHFFFAOYSA-N 1 2 218.256 1.511 20 30 BDEDLO C=CCC[NH+]1CC(N(C)C(=O)C(C)(F)F)C1 ZINC001042404416 711820590 /nfs/dbraw/zinc/82/05/90/711820590.db2.gz VKSBLTLHVZYMNV-UHFFFAOYSA-N 1 2 232.274 1.360 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001030797452 711843301 /nfs/dbraw/zinc/84/33/01/711843301.db2.gz BYBADKCQUNNPRD-AWEZNQCLSA-N 1 2 234.343 1.719 20 30 BDEDLO C#CC[C@H](COC)Nc1cc[nH+]cc1F ZINC000716399525 712558601 /nfs/dbraw/zinc/55/86/01/712558601.db2.gz ROQZHPKFNFOCFO-SECBINFHSA-N 1 2 208.236 1.093 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nc(C)c(C)o1 ZINC000852752334 712612920 /nfs/dbraw/zinc/61/29/20/712612920.db2.gz ZIMXGBNAWTUUOX-UHFFFAOYSA-N 1 2 236.315 1.763 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nc(C)c(C)o1 ZINC000852752334 712612921 /nfs/dbraw/zinc/61/29/21/712612921.db2.gz ZIMXGBNAWTUUOX-UHFFFAOYSA-N 1 2 236.315 1.763 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](O)C(C)C ZINC000380854756 710592552 /nfs/dbraw/zinc/59/25/52/710592552.db2.gz CLNGQUBUFREDNQ-NSHDSACASA-N 1 2 229.320 1.054 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](O)C(C)C ZINC000380854756 710592556 /nfs/dbraw/zinc/59/25/56/710592556.db2.gz CLNGQUBUFREDNQ-NSHDSACASA-N 1 2 229.320 1.054 20 30 BDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OCCC1CC1 ZINC000393555682 710620452 /nfs/dbraw/zinc/62/04/52/710620452.db2.gz LNOWZSPBCXSGJK-UHFFFAOYSA-N 1 2 242.710 1.637 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018201397 710662383 /nfs/dbraw/zinc/66/23/83/710662383.db2.gz BMGSBTRHWSMHGW-TXEJJXNPSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018201397 710662385 /nfs/dbraw/zinc/66/23/85/710662385.db2.gz BMGSBTRHWSMHGW-TXEJJXNPSA-N 1 2 234.343 1.341 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccn2C)C1 ZINC001042484711 710786271 /nfs/dbraw/zinc/78/62/71/710786271.db2.gz CYPJBYSKDGBMDL-UHFFFAOYSA-N 1 2 247.342 1.357 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC2(C)C)C1 ZINC001042625814 710795514 /nfs/dbraw/zinc/79/55/14/710795514.db2.gz QCHGALZRQGAAGZ-GFCCVEGCSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc[nH]c2CC)C1 ZINC001042681650 710797137 /nfs/dbraw/zinc/79/71/37/710797137.db2.gz BZWSHVXIODKCOO-UHFFFAOYSA-N 1 2 247.342 1.519 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC001043154657 710804414 /nfs/dbraw/zinc/80/44/14/710804414.db2.gz RXDKXSQYYBVQDS-IACUBPJLSA-N 1 2 248.370 1.751 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cocc2C)C1 ZINC001043549139 710809049 /nfs/dbraw/zinc/80/90/49/710809049.db2.gz HGJAMDYMEONLJN-UHFFFAOYSA-N 1 2 246.310 1.368 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001043668436 710810262 /nfs/dbraw/zinc/81/02/62/710810262.db2.gz OWNXZDFRBULYFA-GHMZBOCLSA-N 1 2 240.322 1.453 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001043597109 710810440 /nfs/dbraw/zinc/81/04/40/710810440.db2.gz XAHMCCQQDVGBGA-ITGUQSILSA-N 1 2 248.370 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001043967783 710816092 /nfs/dbraw/zinc/81/60/92/710816092.db2.gz FMKQARJRKOODMF-NSHDSACASA-N 1 2 220.316 1.115 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001044288064 710823303 /nfs/dbraw/zinc/82/33/03/710823303.db2.gz MYNFIHMWCONQRG-UHFFFAOYSA-N 1 2 233.315 1.265 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001038218586 711537246 /nfs/dbraw/zinc/53/72/46/711537246.db2.gz FHKLYMOGOBGISQ-LBPRGKRZSA-N 1 2 245.326 1.151 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001038218586 711537249 /nfs/dbraw/zinc/53/72/49/711537249.db2.gz FHKLYMOGOBGISQ-LBPRGKRZSA-N 1 2 245.326 1.151 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000894759048 711772109 /nfs/dbraw/zinc/77/21/09/711772109.db2.gz RRAJGFUWSQEHBY-GHMZBOCLSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2CCC2)C1 ZINC001042574421 711785766 /nfs/dbraw/zinc/78/57/66/711785766.db2.gz PHWXCXOBUYBERN-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001038051564 711817991 /nfs/dbraw/zinc/81/79/91/711817991.db2.gz QQPZMYJUSLZDGA-LLVKDONJSA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001038051564 711817993 /nfs/dbraw/zinc/81/79/93/711817993.db2.gz QQPZMYJUSLZDGA-LLVKDONJSA-N 1 2 249.314 1.282 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001030208689 711828022 /nfs/dbraw/zinc/82/80/22/711828022.db2.gz RIFUNMHECMWJGE-UHFFFAOYSA-N 1 2 220.316 1.473 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000453345684 711957471 /nfs/dbraw/zinc/95/74/71/711957471.db2.gz GEMFPBWHLFHITR-RTXFEEFZSA-N 1 2 233.315 1.720 20 30 BDEDLO N#Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000707552376 712171903 /nfs/dbraw/zinc/17/19/03/712171903.db2.gz ZNTPHPIKFAPRFN-UHFFFAOYSA-N 1 2 242.238 1.045 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cnn(C)c1Cl ZINC000378797654 712361773 /nfs/dbraw/zinc/36/17/73/712361773.db2.gz RKRMLHUZJMNISA-UHFFFAOYSA-N 1 2 220.103 1.916 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523414 712633521 /nfs/dbraw/zinc/63/35/21/712633521.db2.gz FISGIDIAYWNPNS-UWVGGRQHSA-N 1 2 228.723 1.339 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523414 712633522 /nfs/dbraw/zinc/63/35/22/712633522.db2.gz FISGIDIAYWNPNS-UWVGGRQHSA-N 1 2 228.723 1.339 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000932154987 712716109 /nfs/dbraw/zinc/71/61/09/712716109.db2.gz UPISPEKVXAYRLF-SNVBAGLBSA-N 1 2 204.277 1.188 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000932154987 712716110 /nfs/dbraw/zinc/71/61/10/712716110.db2.gz UPISPEKVXAYRLF-SNVBAGLBSA-N 1 2 204.277 1.188 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)nn1 ZINC000396723428 960390687 /nfs/dbraw/zinc/39/06/87/960390687.db2.gz XFAUVNNWGQVUFV-SNVBAGLBSA-N 1 2 204.277 1.567 20 30 BDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](O)C2)c1F ZINC001143165114 961895596 /nfs/dbraw/zinc/89/55/96/961895596.db2.gz VOLRYABYXQGNTC-SECBINFHSA-N 1 2 238.237 1.403 20 30 BDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](O)C2)c1F ZINC001143165114 961895601 /nfs/dbraw/zinc/89/56/01/961895601.db2.gz VOLRYABYXQGNTC-SECBINFHSA-N 1 2 238.237 1.403 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(Cl)cn1 ZINC001156321243 963313250 /nfs/dbraw/zinc/31/32/50/963313250.db2.gz WEPZIXMEYNNTSE-VIFPVBQESA-N 1 2 222.679 1.037 20 30 BDEDLO Cc1cc(Cl)cc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164626419 965934622 /nfs/dbraw/zinc/93/46/22/965934622.db2.gz NBUGLPDQCWRWIR-SNVBAGLBSA-N 1 2 236.706 1.345 20 30 BDEDLO C#C[C@@H](CO)[NH2+]Cc1ccnc(Cl)c1Cl ZINC001206837637 968492168 /nfs/dbraw/zinc/49/21/68/968492168.db2.gz GUMPFTVONBYRBP-QMMMGPOBSA-N 1 2 245.109 1.472 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2ncccn2)CC1 ZINC001207015505 968548674 /nfs/dbraw/zinc/54/86/74/968548674.db2.gz YCOWVUOVIFVWGC-NSHDSACASA-N 1 2 216.288 1.602 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2ncccn2)CC1 ZINC001207015505 968548681 /nfs/dbraw/zinc/54/86/81/968548681.db2.gz YCOWVUOVIFVWGC-NSHDSACASA-N 1 2 216.288 1.602 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001252548995 968788652 /nfs/dbraw/zinc/78/86/52/968788652.db2.gz YOZURCNVJWZFTG-NXEZZACHSA-N 1 2 235.274 1.015 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001252548995 968788661 /nfs/dbraw/zinc/78/86/61/968788661.db2.gz YOZURCNVJWZFTG-NXEZZACHSA-N 1 2 235.274 1.015 20 30 BDEDLO C#CCNc1nc(NC(C)C)c(OC)c[nH+]1 ZINC001155648060 969039412 /nfs/dbraw/zinc/03/94/12/969039412.db2.gz NNKSCZDOHCGFTL-UHFFFAOYSA-N 1 2 220.276 1.351 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001254674855 969780470 /nfs/dbraw/zinc/78/04/70/969780470.db2.gz COSJSKUDQJWFNY-GHMZBOCLSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCn3nccc3C2)C1 ZINC001254674855 969780474 /nfs/dbraw/zinc/78/04/74/969780474.db2.gz COSJSKUDQJWFNY-GHMZBOCLSA-N 1 2 216.288 1.391 20 30 BDEDLO N#CC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001176878664 978227921 /nfs/dbraw/zinc/22/79/21/978227921.db2.gz DSVVNYVVIHFLFP-UHFFFAOYSA-N 1 2 232.287 1.083 20 30 BDEDLO C=CCN1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC001236592849 979671888 /nfs/dbraw/zinc/67/18/88/979671888.db2.gz WHVPXJALJYUJJD-UHFFFAOYSA-N 1 2 235.331 1.595 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(F)c(OC)c1 ZINC001238460410 980271770 /nfs/dbraw/zinc/27/17/70/980271770.db2.gz RVAGMKNPXZLICZ-UHFFFAOYSA-N 1 2 208.236 1.294 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(F)c(OC)c1 ZINC001238460410 980271777 /nfs/dbraw/zinc/27/17/77/980271777.db2.gz RVAGMKNPXZLICZ-UHFFFAOYSA-N 1 2 208.236 1.294 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC001343967987 980297470 /nfs/dbraw/zinc/29/74/70/980297470.db2.gz UWLNZAFGUQGUNS-NSHDSACASA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC001343967987 980297483 /nfs/dbraw/zinc/29/74/83/980297483.db2.gz UWLNZAFGUQGUNS-NSHDSACASA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCOC(=O)N1CCc2[nH+]ccn2CC1 ZINC001194309735 981644546 /nfs/dbraw/zinc/64/45/46/981644546.db2.gz CLHIKHOWZCBXBB-UHFFFAOYSA-N 1 2 221.260 1.064 20 30 BDEDLO Cn1cnc(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201278146 983175044 /nfs/dbraw/zinc/17/50/44/983175044.db2.gz BWBOTYPXICIHOY-UHFFFAOYSA-N 1 2 214.232 1.013 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2ccc(C)nc2)C1 ZINC000720851294 973215420 /nfs/dbraw/zinc/21/54/20/973215420.db2.gz JAHCILVYMLYGTL-UHFFFAOYSA-N 1 2 218.300 1.513 20 30 BDEDLO C#Cc1cc(Nc2cnc(OC)c(O)c2)cc[nH+]1 ZINC001216205045 970983974 /nfs/dbraw/zinc/98/39/74/970983974.db2.gz BVUZOPZNMDEPKL-UHFFFAOYSA-N 1 2 241.250 1.338 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001266334179 957274120 /nfs/dbraw/zinc/27/41/20/957274120.db2.gz ZUJIHXYRYHUZHF-SNVBAGLBSA-N 1 2 228.311 1.359 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001266334179 957274123 /nfs/dbraw/zinc/27/41/23/957274123.db2.gz ZUJIHXYRYHUZHF-SNVBAGLBSA-N 1 2 228.311 1.359 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccc2c1OCC2 ZINC000693175699 957798411 /nfs/dbraw/zinc/79/84/11/957798411.db2.gz QKQPQMKDMFWRCO-SNVBAGLBSA-N 1 2 216.284 1.871 20 30 BDEDLO C#CCC1([NH2+]Cc2noc(CC)n2)CCC1 ZINC000933300745 958350185 /nfs/dbraw/zinc/35/01/85/958350185.db2.gz CNEPEFLJBZAZAR-UHFFFAOYSA-N 1 2 219.288 1.668 20 30 BDEDLO CC[C@@H]1OC(C)=C(OCCn2cc[nH+]c2)C1=O ZINC001222138874 972388098 /nfs/dbraw/zinc/38/80/98/972388098.db2.gz LDVAFMAETLWWOE-JTQLQIEISA-N 1 2 236.271 1.509 20 30 BDEDLO C=C1O[C@@H](CC)C(=O)C1OCCn1cc[nH+]c1 ZINC001222138874 972388104 /nfs/dbraw/zinc/38/81/04/972388104.db2.gz LDVAFMAETLWWOE-JTQLQIEISA-N 1 2 236.271 1.509 20 30 BDEDLO N#Cc1cc(NCc2cc[nH+]c(N)c2)cnc1F ZINC001167616777 959079058 /nfs/dbraw/zinc/07/90/58/959079058.db2.gz PPIQYUJIBZFJIZ-UHFFFAOYSA-N 1 2 243.245 1.682 20 30 BDEDLO N#Cc1cccc(NCc2cc[nH+]c(N)c2)n1 ZINC001167617178 959085888 /nfs/dbraw/zinc/08/58/88/959085888.db2.gz IMDMPRUXSCDYTD-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO C=C(CC)C[NH2+][C@H](C(=O)OCC)C1CC1 ZINC001327224001 972510465 /nfs/dbraw/zinc/51/04/65/972510465.db2.gz OKCVNYZMWYXWSW-NSHDSACASA-N 1 2 211.305 1.884 20 30 BDEDLO Cc1cc(CNc2[nH+]cccc2CC#N)nn1C ZINC001167766801 960699690 /nfs/dbraw/zinc/69/96/90/960699690.db2.gz SZLSOEKQATWHFM-UHFFFAOYSA-N 1 2 241.298 1.802 20 30 BDEDLO CN(CC#N)Cc1ccn2cc[nH+]c2c1 ZINC001141046336 960834415 /nfs/dbraw/zinc/83/44/15/960834415.db2.gz VUJYTQVHYUSEDQ-UHFFFAOYSA-N 1 2 200.245 1.290 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160369 960896707 /nfs/dbraw/zinc/89/67/07/960896707.db2.gz VZTNYUSSZMFFON-SECBINFHSA-N 1 2 218.256 1.443 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160369 960896710 /nfs/dbraw/zinc/89/67/10/960896710.db2.gz VZTNYUSSZMFFON-SECBINFHSA-N 1 2 218.256 1.443 20 30 BDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCF)C1 ZINC001481638428 961432289 /nfs/dbraw/zinc/43/22/89/961432289.db2.gz CJOQOIYYJGFANV-UHFFFAOYSA-N 1 2 248.729 1.537 20 30 BDEDLO C=C(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001142509955 961455417 /nfs/dbraw/zinc/45/54/17/961455417.db2.gz NEKMMXZCIUMLIS-UHFFFAOYSA-N 1 2 201.229 1.849 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CCCF)C1 ZINC001268438575 961781876 /nfs/dbraw/zinc/78/18/76/961781876.db2.gz UTHPKWNKVIJQCU-UHFFFAOYSA-N 1 2 214.284 1.113 20 30 BDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1C[C@H]2C[C@H]2C1)C(=O)OCC ZINC001167908626 961805599 /nfs/dbraw/zinc/80/55/99/961805599.db2.gz IOPNXXIZKQIABH-MOWSAHLDSA-N 1 2 235.327 1.882 20 30 BDEDLO N#CC1CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143018978 961865427 /nfs/dbraw/zinc/86/54/27/961865427.db2.gz SDNPHFTXJWJXBG-UHFFFAOYSA-N 1 2 212.256 1.290 20 30 BDEDLO C#C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001143137423 961888567 /nfs/dbraw/zinc/88/85/67/961888567.db2.gz ZJWGMOWNSCFQES-ZDUSSCGKSA-N 1 2 239.278 1.374 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cccc3nonc32)C1 ZINC001203137579 962033040 /nfs/dbraw/zinc/03/30/40/962033040.db2.gz KWPCMYIWDPKATD-VIFPVBQESA-N 1 2 228.255 1.568 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc3nonc32)C1 ZINC001203137579 962033062 /nfs/dbraw/zinc/03/30/62/962033062.db2.gz KWPCMYIWDPKATD-VIFPVBQESA-N 1 2 228.255 1.568 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)C)C1 ZINC001269101142 962455620 /nfs/dbraw/zinc/45/56/20/962455620.db2.gz RVKRJGSMMHJEGC-LLVKDONJSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)C)C1 ZINC001269101142 962455631 /nfs/dbraw/zinc/45/56/31/962455631.db2.gz RVKRJGSMMHJEGC-LLVKDONJSA-N 1 2 244.766 1.976 20 30 BDEDLO CN(CC#N)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152976232 962508526 /nfs/dbraw/zinc/50/85/26/962508526.db2.gz GUGOHTJLRZLRDF-UHFFFAOYSA-N 1 2 214.228 1.158 20 30 BDEDLO O=C(NCCCS)c1cccc2[nH+]ccn21 ZINC001154525564 962793568 /nfs/dbraw/zinc/79/35/68/962793568.db2.gz MLXNMZWGSYYRJA-UHFFFAOYSA-N 1 2 235.312 1.384 20 30 BDEDLO C#CCNc1cc(C)c(C(=O)OCC)c(C)[nH+]1 ZINC001155651044 963137019 /nfs/dbraw/zinc/13/70/19/963137019.db2.gz WPOOGBKQTUDKBM-UHFFFAOYSA-N 1 2 232.283 1.920 20 30 BDEDLO CSc1cccc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156327898 963315695 /nfs/dbraw/zinc/31/56/95/963315695.db2.gz RBUNMDFPNUPVNX-VIFPVBQESA-N 1 2 234.328 1.105 20 30 BDEDLO Cc1nc(C#N)cnc1NCc1cc[nH+]c(N)c1 ZINC001156761779 963455513 /nfs/dbraw/zinc/45/55/13/963455513.db2.gz XBDJXCUMJCMWEU-UHFFFAOYSA-N 1 2 240.270 1.246 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(C)CC1 ZINC001168201003 963967431 /nfs/dbraw/zinc/96/74/31/963967431.db2.gz ORBRTCALFTXFHT-RTBKNWGFSA-N 1 2 231.361 1.626 20 30 BDEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nncn1C ZINC000093492605 964154875 /nfs/dbraw/zinc/15/48/75/964154875.db2.gz NVJJVCWXVJKBAO-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO C[C@H]1COCC[C@H]1Nc1cc(CC#N)cc[nH+]1 ZINC001159716130 964166888 /nfs/dbraw/zinc/16/68/88/964166888.db2.gz LWCURWWFJBWBHF-CMPLNLGQSA-N 1 2 231.299 1.985 20 30 BDEDLO N#CC1(c2cc[nH+]c(NCC3COC3)c2)CC1 ZINC001161947839 964832488 /nfs/dbraw/zinc/83/24/88/964832488.db2.gz ZXFBAIFDMNJAAJ-UHFFFAOYSA-N 1 2 229.283 1.695 20 30 BDEDLO N#CCc1ccc[nH+]c1NC[C@@H](O)c1ccco1 ZINC001162251426 964890458 /nfs/dbraw/zinc/89/04/58/964890458.db2.gz HQXBMAGWFWPBDA-LLVKDONJSA-N 1 2 243.266 1.886 20 30 BDEDLO CC(C)(C)C(=[NH2+])Nc1cc(C#N)ncn1 ZINC001162657976 965095136 /nfs/dbraw/zinc/09/51/36/965095136.db2.gz YKWBYUTZOIBVHJ-UHFFFAOYSA-N 1 2 203.249 1.784 20 30 BDEDLO Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC001162683542 965115857 /nfs/dbraw/zinc/11/58/57/965115857.db2.gz HYDAZFOSRCQQJN-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001162683542 965115862 /nfs/dbraw/zinc/11/58/62/965115862.db2.gz HYDAZFOSRCQQJN-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO C#Cc1cccc(C[N@H+]2CCOC[C@@H]2COC)c1 ZINC001231661620 965277690 /nfs/dbraw/zinc/27/76/90/965277690.db2.gz WDIDFZLBBLFRKZ-HNNXBMFYSA-N 1 2 245.322 1.515 20 30 BDEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@@H]2COC)c1 ZINC001231661620 965277696 /nfs/dbraw/zinc/27/76/96/965277696.db2.gz WDIDFZLBBLFRKZ-HNNXBMFYSA-N 1 2 245.322 1.515 20 30 BDEDLO O=C1C=C(Nc2nc3[nH]ccc3c[nH+]2)CCC1 ZINC001163451552 965408243 /nfs/dbraw/zinc/40/82/43/965408243.db2.gz HJGPYMQVEAUFLM-UHFFFAOYSA-N 1 2 228.255 1.958 20 30 BDEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H](F)[C@H](F)C3)c12 ZINC001164215254 965800409 /nfs/dbraw/zinc/80/04/09/965800409.db2.gz QOFMQTZJWSAXJE-RKDXNWHRSA-N 1 2 248.236 1.931 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001164236980 965809029 /nfs/dbraw/zinc/80/90/29/965809029.db2.gz CRLCDNXRDFXJOX-NEPJUHHUSA-N 1 2 249.289 1.447 20 30 BDEDLO C[C@]1(O)CCN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001165228197 965993920 /nfs/dbraw/zinc/99/39/20/965993920.db2.gz IPMJUSFAOSINGG-ZDUSSCGKSA-N 1 2 242.282 1.396 20 30 BDEDLO CC(=O)OC1CN(c2[nH+]c(C)ccc2CC#N)C1 ZINC001166641487 966348641 /nfs/dbraw/zinc/34/86/41/966348641.db2.gz XUGNLELLBWMATQ-UHFFFAOYSA-N 1 2 245.282 1.208 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cnn(C)c1C1CC1 ZINC001203521350 966676400 /nfs/dbraw/zinc/67/64/00/966676400.db2.gz GJXNSBDGTSIWHV-SECBINFHSA-N 1 2 218.304 1.689 20 30 BDEDLO Cc1c[nH+]c(C)c(-n2ccc(C#N)c2N)c1 ZINC001203658175 966726079 /nfs/dbraw/zinc/72/60/79/966726079.db2.gz ZOHLCEYRSMCSIQ-UHFFFAOYSA-N 1 2 212.256 1.943 20 30 BDEDLO N#C[C@H]1CN(Cc2cccn3cc[nH+]c23)CCO1 ZINC001142961678 966878327 /nfs/dbraw/zinc/87/83/27/966878327.db2.gz OTSLKFALKIYWGZ-LBPRGKRZSA-N 1 2 242.282 1.059 20 30 BDEDLO C=CCN1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC001204569999 967060277 /nfs/dbraw/zinc/06/02/77/967060277.db2.gz FHXJFGQRFTVPEH-UHFFFAOYSA-N 1 2 234.347 1.032 20 30 BDEDLO N#Cc1ncc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204959166 967258755 /nfs/dbraw/zinc/25/87/55/967258755.db2.gz HCZVPVRKOUZMNS-UHFFFAOYSA-N 1 2 236.238 1.740 20 30 BDEDLO CN1C[C@@H](CNc2ccc(CC#N)c[nH+]2)CC1=O ZINC001168716486 967613909 /nfs/dbraw/zinc/61/39/09/967613909.db2.gz BQJABVRPEBNUMT-LLVKDONJSA-N 1 2 244.298 1.038 20 30 BDEDLO CN1C[C@H](CNc2[nH+]cccc2CC#N)CC1=O ZINC001168718203 967624138 /nfs/dbraw/zinc/62/41/38/967624138.db2.gz ODIWRDJMVKJZOG-JTQLQIEISA-N 1 2 244.298 1.038 20 30 BDEDLO N#Cc1ncc(CCn2cc[nH+]c2)cc1F ZINC001250316782 967688011 /nfs/dbraw/zinc/68/80/11/967688011.db2.gz XOHJUXNJLOCOFE-UHFFFAOYSA-N 1 2 216.219 1.532 20 30 BDEDLO CC(C)(C)C(=[NH2+])Nc1ccnc(C#N)n1 ZINC001162655009 967883117 /nfs/dbraw/zinc/88/31/17/967883117.db2.gz GTFSSQFWWLQFBQ-UHFFFAOYSA-N 1 2 203.249 1.784 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](OC)C(C)C)C1 ZINC001494441826 968019047 /nfs/dbraw/zinc/01/90/47/968019047.db2.gz OTEZHDPPDYGNNU-GFCCVEGCSA-N 1 2 240.347 1.034 20 30 BDEDLO C[C@H](C(=O)NCC1(C#N)CCCC1)n1cc[nH+]c1 ZINC001118337226 968124300 /nfs/dbraw/zinc/12/43/00/968124300.db2.gz JMJQSXKMVKAJKZ-LLVKDONJSA-N 1 2 246.314 1.644 20 30 BDEDLO COc1cc(Nc2ccnc(C#N)c2)cc(C)[nH+]1 ZINC001206600521 968411960 /nfs/dbraw/zinc/41/19/60/968411960.db2.gz FSJOLBVQBYBJCS-UHFFFAOYSA-N 1 2 240.266 1.831 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1cc(CO)on1 ZINC001119700550 968456651 /nfs/dbraw/zinc/45/66/51/968456651.db2.gz HUODVWPCSQMPHQ-IUCAKERBSA-N 1 2 226.276 1.019 20 30 BDEDLO C#C[C@H](CO)[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC001206837496 968491875 /nfs/dbraw/zinc/49/18/75/968491875.db2.gz FPNWOLCRDUIJND-MRVPVSSYSA-N 1 2 239.706 1.024 20 30 BDEDLO CCOC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207417424 968760642 /nfs/dbraw/zinc/76/06/42/968760642.db2.gz NGSQTAVBESCCAT-RTCCRHLQSA-N 1 2 222.288 1.316 20 30 BDEDLO CCOC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207417424 968760650 /nfs/dbraw/zinc/76/06/50/968760650.db2.gz NGSQTAVBESCCAT-RTCCRHLQSA-N 1 2 222.288 1.316 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001252571120 968819984 /nfs/dbraw/zinc/81/99/84/968819984.db2.gz DRFULDLDSCTODF-BXKDBHETSA-N 1 2 229.320 1.101 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@H](CCCC)C(=O)OC ZINC001252582920 968834491 /nfs/dbraw/zinc/83/44/91/968834491.db2.gz ZBGHDFKUYMQRST-ZYHUDNBSSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252581895 968834761 /nfs/dbraw/zinc/83/47/61/968834761.db2.gz KWGFZAZRKXOBJJ-AAEUAGOBSA-N 1 2 241.331 1.245 20 30 BDEDLO C=CCC[C@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252621879 968883078 /nfs/dbraw/zinc/88/30/78/968883078.db2.gz JPYLLNFCCOKADR-JTQLQIEISA-N 1 2 237.303 1.284 20 30 BDEDLO C=C(C)CNc1[nH+]ccc(C)c1C(N)=O ZINC001155654998 969043228 /nfs/dbraw/zinc/04/32/28/969043228.db2.gz KEEVADTWJLQDGH-UHFFFAOYSA-N 1 2 205.261 1.477 20 30 BDEDLO CC(=O)N1CCC(C[N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001208675009 969189506 /nfs/dbraw/zinc/18/95/06/969189506.db2.gz JPKJBQDXLAYKSO-CQSZACIVSA-N 1 2 249.358 1.623 20 30 BDEDLO CC(=O)N1CCC(C[N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001208675009 969189511 /nfs/dbraw/zinc/18/95/11/969189511.db2.gz JPKJBQDXLAYKSO-CQSZACIVSA-N 1 2 249.358 1.623 20 30 BDEDLO C=C[C@H](O)CNc1cccc2[nH+]ccn21 ZINC001253565757 969237269 /nfs/dbraw/zinc/23/72/69/969237269.db2.gz RSUWUWYIEHJDLE-VIFPVBQESA-N 1 2 203.245 1.293 20 30 BDEDLO C=C[C@H](O)CNc1cccc(Cn2cc[nH+]c2)c1 ZINC001253589892 969277866 /nfs/dbraw/zinc/27/78/66/969277866.db2.gz JLDNKRVDEOPDSK-AWEZNQCLSA-N 1 2 243.310 1.890 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccc(C)[nH]2)CC1 ZINC001209573390 969553999 /nfs/dbraw/zinc/55/39/99/969553999.db2.gz TXJQFZOWCMEZIN-UHFFFAOYSA-N 1 2 219.332 1.627 20 30 BDEDLO Cc1nnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC001254647934 969762676 /nfs/dbraw/zinc/76/26/76/969762676.db2.gz JAUXKBGTVJBSPK-BDAKNGLRSA-N 1 2 206.249 1.160 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001254659179 969768894 /nfs/dbraw/zinc/76/88/94/969768894.db2.gz LOMOWOUTAIADKN-USWWRNFRSA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001254659179 969768899 /nfs/dbraw/zinc/76/88/99/969768899.db2.gz LOMOWOUTAIADKN-USWWRNFRSA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001254659179 969768908 /nfs/dbraw/zinc/76/89/08/969768908.db2.gz LOMOWOUTAIADKN-USWWRNFRSA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001254659179 969768912 /nfs/dbraw/zinc/76/89/12/969768912.db2.gz LOMOWOUTAIADKN-USWWRNFRSA-N 1 2 248.351 1.953 20 30 BDEDLO Cc1c[nH+]c(Nc2cncc(C#N)c2)c(N)c1 ZINC001210083837 969792868 /nfs/dbraw/zinc/79/28/68/969792868.db2.gz FETLRBZYDJALPO-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO Cc1[nH+]cc(Nc2cnc(C#N)nc2)cc1N ZINC001210287136 969855039 /nfs/dbraw/zinc/85/50/39/969855039.db2.gz MIGVXDGILFMWDM-UHFFFAOYSA-N 1 2 226.243 1.378 20 30 BDEDLO Cc1cc(-c2cccnc2C#N)c[nH+]c1N ZINC001242310248 969894091 /nfs/dbraw/zinc/89/40/91/969894091.db2.gz BBBVRYJNZKMJMK-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1cccnc1 ZINC001255163190 969973476 /nfs/dbraw/zinc/97/34/76/969973476.db2.gz CSZVFZMQXGDDLE-VXGBXAGGSA-N 1 2 219.288 1.397 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cncnc1C ZINC001255165000 969976466 /nfs/dbraw/zinc/97/64/66/969976466.db2.gz SAJWHLMLAHYSKO-NSHDSACASA-N 1 2 204.277 1.567 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001255176996 969994167 /nfs/dbraw/zinc/99/41/67/969994167.db2.gz KIJHFUFRFJDNNZ-WDEREUQCSA-N 1 2 238.335 1.072 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001255176996 969994177 /nfs/dbraw/zinc/99/41/77/969994177.db2.gz KIJHFUFRFJDNNZ-WDEREUQCSA-N 1 2 238.335 1.072 20 30 BDEDLO C[N@@H+]1CCC[C@@H](NCc2cc(C#N)co2)C1 ZINC001255479213 970209605 /nfs/dbraw/zinc/20/96/05/970209605.db2.gz DJBVTNYVIVLZJE-LLVKDONJSA-N 1 2 219.288 1.335 20 30 BDEDLO C[N@H+]1CCC[C@@H](NCc2cc(C#N)co2)C1 ZINC001255479213 970209614 /nfs/dbraw/zinc/20/96/14/970209614.db2.gz DJBVTNYVIVLZJE-LLVKDONJSA-N 1 2 219.288 1.335 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCC(=C)C)CC1 ZINC001112899282 970209766 /nfs/dbraw/zinc/20/97/66/970209766.db2.gz VXNDVLYTMCOYNO-UHFFFAOYSA-N 1 2 222.332 1.673 20 30 BDEDLO CC[C@H]1C[C@H]([NH+]2CC(C)(C#N)C2)CCO1 ZINC001170205062 970570656 /nfs/dbraw/zinc/57/06/56/970570656.db2.gz UEORMYSESDCQIL-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO N#C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)CCC1=O ZINC001256079480 970650485 /nfs/dbraw/zinc/65/04/85/970650485.db2.gz LAWJFGGZINHFTQ-LLVKDONJSA-N 1 2 247.342 1.028 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(F)cc2C)CC1 ZINC000182270881 970691667 /nfs/dbraw/zinc/69/16/67/970691667.db2.gz BLHRVZTYJZBIAR-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO CC(C)(S)CNc1cc[nH+]cc1F ZINC001170305704 970696088 /nfs/dbraw/zinc/69/60/88/970696088.db2.gz BGCAPHPFWLQBRF-UHFFFAOYSA-N 1 2 200.282 1.763 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)nc1 ZINC001144157429 972633611 /nfs/dbraw/zinc/63/36/11/972633611.db2.gz HSODRIKXECSNQM-WCFLWFBJSA-N 1 2 231.274 1.743 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)nc1 ZINC001144157429 972633620 /nfs/dbraw/zinc/63/36/20/972633620.db2.gz HSODRIKXECSNQM-WCFLWFBJSA-N 1 2 231.274 1.743 20 30 BDEDLO Cc1[nH+]cc(C=NNCC2CCOCC2)n1C ZINC001327647793 972683825 /nfs/dbraw/zinc/68/38/25/972683825.db2.gz HYNRNLPALUBNGB-UHFFFAOYSA-N 1 2 236.319 1.079 20 30 BDEDLO C[C@H](C#N)[N@H+](CC1CCC(O)CC1)C1CC1 ZINC001328429419 973051517 /nfs/dbraw/zinc/05/15/17/973051517.db2.gz NSRQQSDPIVQNCV-XSRFYTQQSA-N 1 2 222.332 1.914 20 30 BDEDLO C[C@H](C#N)[N@@H+](CC1CCC(O)CC1)C1CC1 ZINC001328429419 973051529 /nfs/dbraw/zinc/05/15/29/973051529.db2.gz NSRQQSDPIVQNCV-XSRFYTQQSA-N 1 2 222.332 1.914 20 30 BDEDLO COC(=O)[C@@H]1C[C@@H]1CNc1cc(CC#N)cc[nH+]1 ZINC001161040750 973635809 /nfs/dbraw/zinc/63/58/09/973635809.db2.gz GHBRVMDCGXBWBV-GHMZBOCLSA-N 1 2 245.282 1.369 20 30 BDEDLO CC[N@H+](CC1CCC(O)CC1)[C@@H](C)C#N ZINC001329910562 974019986 /nfs/dbraw/zinc/01/99/86/974019986.db2.gz GJSQRIKCDKMKMC-UNXYVOJBSA-N 1 2 210.321 1.771 20 30 BDEDLO CC[N@@H+](CC1CCC(O)CC1)[C@@H](C)C#N ZINC001329910562 974020002 /nfs/dbraw/zinc/02/00/02/974020002.db2.gz GJSQRIKCDKMKMC-UNXYVOJBSA-N 1 2 210.321 1.771 20 30 BDEDLO CCCC[N@H+](CC#N)[C@H]1CCN(CC)C(=O)C1 ZINC001172045677 974324767 /nfs/dbraw/zinc/32/47/67/974324767.db2.gz IMLXEMKHJZFALM-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO CCCC[N@@H+](CC#N)[C@H]1CCN(CC)C(=O)C1 ZINC001172045677 974324776 /nfs/dbraw/zinc/32/47/76/974324776.db2.gz IMLXEMKHJZFALM-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO N#CC1([NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CCCC1 ZINC001172173819 974430045 /nfs/dbraw/zinc/43/00/45/974430045.db2.gz WWQJDFITYPPVPC-NEPJUHHUSA-N 1 2 247.342 1.566 20 30 BDEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172174728 974432262 /nfs/dbraw/zinc/43/22/62/974432262.db2.gz QDDHKMAMYKMJBH-VXGBXAGGSA-N 1 2 249.358 1.812 20 30 BDEDLO CCCC[N@H+](CC#N)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178632 974435916 /nfs/dbraw/zinc/43/59/16/974435916.db2.gz GUNFRBFQFYIRSS-CHWSQXEVSA-N 1 2 249.358 1.765 20 30 BDEDLO CCCC[N@@H+](CC#N)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178632 974435923 /nfs/dbraw/zinc/43/59/23/974435923.db2.gz GUNFRBFQFYIRSS-CHWSQXEVSA-N 1 2 249.358 1.765 20 30 BDEDLO Cc1ncc(C[NH2+]Cc2ccc(C#N)cn2)o1 ZINC001330802660 974480799 /nfs/dbraw/zinc/48/07/99/974480799.db2.gz PXCRGGWNDSMALF-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)n1cc[nH+]c1 ZINC001331970584 974897043 /nfs/dbraw/zinc/89/70/43/974897043.db2.gz NENJVIAOOFSQAB-OUAUKWLOSA-N 1 2 232.287 1.253 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001330567145 974908254 /nfs/dbraw/zinc/90/82/54/974908254.db2.gz QPDVKZWIEDCOON-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001330567145 974908257 /nfs/dbraw/zinc/90/82/57/974908257.db2.gz QPDVKZWIEDCOON-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C[C@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C#N)CCO1 ZINC001173174028 975052806 /nfs/dbraw/zinc/05/28/06/975052806.db2.gz ZSQSASSZFYUHMU-SRVKXCTJSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@H]1C[C@@H]([N@H+]2CCCC[C@H]2C#N)CCO1 ZINC001173174028 975052813 /nfs/dbraw/zinc/05/28/13/975052813.db2.gz ZSQSASSZFYUHMU-SRVKXCTJSA-N 1 2 208.305 1.932 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC001332543602 975205559 /nfs/dbraw/zinc/20/55/59/975205559.db2.gz DPWKXZJRJCURGV-UHFFFAOYSA-N 1 2 236.315 1.880 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncc(C(C)C)o1 ZINC001332543602 975205570 /nfs/dbraw/zinc/20/55/70/975205570.db2.gz DPWKXZJRJCURGV-UHFFFAOYSA-N 1 2 236.315 1.880 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1noc2c1COCC2 ZINC001333483147 975807169 /nfs/dbraw/zinc/80/71/69/975807169.db2.gz KORFELPNWIBKAC-UHFFFAOYSA-N 1 2 234.299 1.591 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1noc2c1COCC2 ZINC001333483147 975807171 /nfs/dbraw/zinc/80/71/71/975807171.db2.gz KORFELPNWIBKAC-UHFFFAOYSA-N 1 2 234.299 1.591 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1cc(COC)on1 ZINC001333585889 975872141 /nfs/dbraw/zinc/87/21/41/975872141.db2.gz AWCPKPKPHUNXDP-SECBINFHSA-N 1 2 226.276 1.112 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cccc(C#N)n1 ZINC001230039566 977102889 /nfs/dbraw/zinc/10/28/89/977102889.db2.gz XLXRIVCRTLSUQT-LLVKDONJSA-N 1 2 247.298 1.053 20 30 BDEDLO C#C[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920310 977384595 /nfs/dbraw/zinc/38/45/95/977384595.db2.gz LJMOYLKTKUNCMM-VIFPVBQESA-N 1 2 215.252 1.768 20 30 BDEDLO C=CCC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001336237393 977590488 /nfs/dbraw/zinc/59/04/88/977590488.db2.gz AZZLBSBSJFSSAK-LLVKDONJSA-N 1 2 233.315 1.909 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)/C=C\c2ccco2)C1 ZINC001277548623 977673770 /nfs/dbraw/zinc/67/37/70/977673770.db2.gz MKAXLZQMNOVLGB-SREVYHEPSA-N 1 2 246.310 1.621 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001277554926 977714710 /nfs/dbraw/zinc/71/47/10/977714710.db2.gz HZWRDLZTYWCQRO-NSHDSACASA-N 1 2 224.348 1.751 20 30 BDEDLO C=C1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC001336502492 977724354 /nfs/dbraw/zinc/72/43/54/977724354.db2.gz AGAQRCIBFSLCRL-NSHDSACASA-N 1 2 248.330 1.426 20 30 BDEDLO C=C1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC001336502492 977724359 /nfs/dbraw/zinc/72/43/59/977724359.db2.gz AGAQRCIBFSLCRL-NSHDSACASA-N 1 2 248.330 1.426 20 30 BDEDLO COc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC001231936971 977808266 /nfs/dbraw/zinc/80/82/66/977808266.db2.gz UOWHRJBUPSIBSG-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO COc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC001231936971 977808269 /nfs/dbraw/zinc/80/82/69/977808269.db2.gz UOWHRJBUPSIBSG-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CC(C)(C)C=C)C1 ZINC001277603155 977863924 /nfs/dbraw/zinc/86/39/24/977863924.db2.gz OLZFJCCMUGRKSN-UHFFFAOYSA-N 1 2 236.359 1.917 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cncc(O)c2)CC1 ZINC001232044144 977869736 /nfs/dbraw/zinc/86/97/36/977869736.db2.gz HRZHCLHISLVGLT-UHFFFAOYSA-N 1 2 231.299 1.913 20 30 BDEDLO C#Cc1nccnc1Nc1c[nH+]ccc1OC ZINC001176117113 977945049 /nfs/dbraw/zinc/94/50/49/977945049.db2.gz RPGHCAPQVJMNPF-UHFFFAOYSA-N 1 2 226.239 1.605 20 30 BDEDLO Cc1[nH+]c(N)ccc1CN(C)[C@@H](C)C#N ZINC001232347103 978027619 /nfs/dbraw/zinc/02/76/19/978027619.db2.gz KOPLWQYGMMFKBD-QMMMGPOBSA-N 1 2 204.277 1.316 20 30 BDEDLO C#CCOCCN(C)c1cc(CC)[nH+]c(CC)n1 ZINC001336969942 978086535 /nfs/dbraw/zinc/08/65/35/978086535.db2.gz VWQBRGKFLIYXGS-UHFFFAOYSA-N 1 2 247.342 1.687 20 30 BDEDLO N#Cc1cc[nH]c1NC(=O)CCn1cc[nH+]c1 ZINC001176873649 978226782 /nfs/dbraw/zinc/22/67/82/978226782.db2.gz ZVYDBAOCSWYPOT-UHFFFAOYSA-N 1 2 229.243 1.112 20 30 BDEDLO N#C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001176883852 978227880 /nfs/dbraw/zinc/22/78/80/978227880.db2.gz MTRYETGEIVNBPD-HAQNSBGRSA-N 1 2 246.314 1.472 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC001232674554 978245831 /nfs/dbraw/zinc/24/58/31/978245831.db2.gz BAQSHTASVUEOEB-GFCCVEGCSA-N 1 2 232.283 1.221 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001232674554 978245839 /nfs/dbraw/zinc/24/58/39/978245839.db2.gz BAQSHTASVUEOEB-GFCCVEGCSA-N 1 2 232.283 1.221 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(C#N)c1 ZINC001232964037 978362197 /nfs/dbraw/zinc/36/21/97/978362197.db2.gz OORLOIDLIQAUQN-AWEZNQCLSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(C#N)c1 ZINC001232964037 978362200 /nfs/dbraw/zinc/36/22/00/978362200.db2.gz OORLOIDLIQAUQN-AWEZNQCLSA-N 1 2 246.310 1.060 20 30 BDEDLO CCOC(=O)[C@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046500 978431967 /nfs/dbraw/zinc/43/19/67/978431967.db2.gz BHEZKOJLNSRUJK-NSHDSACASA-N 1 2 247.298 1.271 20 30 BDEDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046500 978431972 /nfs/dbraw/zinc/43/19/72/978431972.db2.gz BHEZKOJLNSRUJK-NSHDSACASA-N 1 2 247.298 1.271 20 30 BDEDLO CC(=O)[C@@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048306 978435792 /nfs/dbraw/zinc/43/57/92/978435792.db2.gz DECFFCPMRQJNCD-LLVKDONJSA-N 1 2 217.272 1.297 20 30 BDEDLO CC(=O)[C@@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048306 978435798 /nfs/dbraw/zinc/43/57/98/978435798.db2.gz DECFFCPMRQJNCD-LLVKDONJSA-N 1 2 217.272 1.297 20 30 BDEDLO C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC001337708990 978468286 /nfs/dbraw/zinc/46/82/86/978468286.db2.gz VOLBWFLRDIYTFE-DGCLKSJQSA-N 1 2 246.314 1.596 20 30 BDEDLO C#CC1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001177926238 978476587 /nfs/dbraw/zinc/47/65/87/978476587.db2.gz ZYFRRWBFBLBHDS-LLVKDONJSA-N 1 2 231.299 1.316 20 30 BDEDLO Cc1c[nH]c(=O)c(C[N@H+](C)CCC#N)c1 ZINC001233188874 978484626 /nfs/dbraw/zinc/48/46/26/978484626.db2.gz DUMVAQNAVAKBFL-UHFFFAOYSA-N 1 2 205.261 1.441 20 30 BDEDLO Cc1c[nH]c(=O)c(C[N@@H+](C)CCC#N)c1 ZINC001233188874 978484633 /nfs/dbraw/zinc/48/46/33/978484633.db2.gz DUMVAQNAVAKBFL-UHFFFAOYSA-N 1 2 205.261 1.441 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C)c(O)c1 ZINC001233235237 978506593 /nfs/dbraw/zinc/50/65/93/978506593.db2.gz NRQWWOIEJVIAQF-UHFFFAOYSA-N 1 2 213.280 1.769 20 30 BDEDLO Cc1ncc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC001338290362 978652409 /nfs/dbraw/zinc/65/24/09/978652409.db2.gz UQIXZGRRQSZPHX-QWRGUYRKSA-N 1 2 248.330 1.401 20 30 BDEDLO COCc1cc(C[NH+]2CCC(CC#N)CC2)no1 ZINC001180838163 978950186 /nfs/dbraw/zinc/95/01/86/978950186.db2.gz UAEQKZSDBGWSMX-UHFFFAOYSA-N 1 2 249.314 1.947 20 30 BDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001340040068 978960303 /nfs/dbraw/zinc/96/03/03/978960303.db2.gz RAUUFTNMLDSWKY-LLVKDONJSA-N 1 2 247.346 1.041 20 30 BDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001340040068 978960306 /nfs/dbraw/zinc/96/03/06/978960306.db2.gz RAUUFTNMLDSWKY-LLVKDONJSA-N 1 2 247.346 1.041 20 30 BDEDLO O=C1C=C2C[N@H+](CCCCCO)CC[C@H]2S1 ZINC001235464253 979049978 /nfs/dbraw/zinc/04/99/78/979049978.db2.gz BGBNFGOBTLPCAW-LLVKDONJSA-N 1 2 241.356 1.423 20 30 BDEDLO O=C1C=C2C[N@@H+](CCCCCO)CC[C@H]2S1 ZINC001235464253 979049982 /nfs/dbraw/zinc/04/99/82/979049982.db2.gz BGBNFGOBTLPCAW-LLVKDONJSA-N 1 2 241.356 1.423 20 30 BDEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1CC#N ZINC001235523106 979064531 /nfs/dbraw/zinc/06/45/31/979064531.db2.gz KTNRKLDTEJEXKJ-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1CC#N ZINC001235523106 979064540 /nfs/dbraw/zinc/06/45/40/979064540.db2.gz KTNRKLDTEJEXKJ-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC001602829444 979281878 /nfs/dbraw/zinc/28/18/78/979281878.db2.gz NVULXMBNEHWJNB-NSHDSACASA-N 1 2 237.303 1.234 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC001602829444 979281884 /nfs/dbraw/zinc/28/18/84/979281884.db2.gz NVULXMBNEHWJNB-NSHDSACASA-N 1 2 237.303 1.234 20 30 BDEDLO C#CC(C)(C)C(=O)NCCOc1cc[nH+]cc1 ZINC001182641688 979600103 /nfs/dbraw/zinc/60/01/03/979600103.db2.gz QAMZVKFPVPCXEC-UHFFFAOYSA-N 1 2 232.283 1.236 20 30 BDEDLO Cc1nnc(C[NH+]2CCC(CC#N)CC2)o1 ZINC001342107711 979663102 /nfs/dbraw/zinc/66/31/02/979663102.db2.gz VJVMWCLHKFFTSY-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CC[C@]23CCOC3)ccn1 ZINC001237464728 979907034 /nfs/dbraw/zinc/90/70/34/979907034.db2.gz VNIFYCRMPVLIRP-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO N#Cc1cc(C[N@H+]2CC[C@]23CCOC3)ccn1 ZINC001237464728 979907039 /nfs/dbraw/zinc/90/70/39/979907039.db2.gz VNIFYCRMPVLIRP-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC001343152860 980024127 /nfs/dbraw/zinc/02/41/27/980024127.db2.gz FDALDUJUZVLYRH-QWRGUYRKSA-N 1 2 248.330 1.546 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC001343152860 980024134 /nfs/dbraw/zinc/02/41/34/980024134.db2.gz FDALDUJUZVLYRH-QWRGUYRKSA-N 1 2 248.330 1.546 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(C)n2)CC1 ZINC001237819175 980067061 /nfs/dbraw/zinc/06/70/61/980067061.db2.gz HTQAWJBDYHEPRT-UHFFFAOYSA-N 1 2 247.317 1.280 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001344404535 980390718 /nfs/dbraw/zinc/39/07/18/980390718.db2.gz OZGFRNORYXVAFT-SNVBAGLBSA-N 1 2 207.277 1.527 20 30 BDEDLO C=C(C)Cc1ccc(C(=O)NC2C[NH+](C)C2)cc1 ZINC001190231326 980858869 /nfs/dbraw/zinc/85/88/69/980858869.db2.gz FMRVIEYOMQTGMX-UHFFFAOYSA-N 1 2 244.338 1.849 20 30 BDEDLO C[C@H](CC#N)C(=O)OCCCn1cc[nH+]c1 ZINC001346788746 980906085 /nfs/dbraw/zinc/90/60/85/980906085.db2.gz YWISSGVLJIPYNM-SNVBAGLBSA-N 1 2 221.260 1.366 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001347316145 981045637 /nfs/dbraw/zinc/04/56/37/981045637.db2.gz CZMGSAGAOUNUMI-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001347316145 981045640 /nfs/dbraw/zinc/04/56/40/981045640.db2.gz CZMGSAGAOUNUMI-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001347318404 981045775 /nfs/dbraw/zinc/04/57/75/981045775.db2.gz VMHHXPIBULMYOF-JTQLQIEISA-N 1 2 246.314 1.256 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001347657738 981139186 /nfs/dbraw/zinc/13/91/86/981139186.db2.gz FKCFJRVQWZTPDC-SNVBAGLBSA-N 1 2 246.314 1.286 20 30 BDEDLO C=C/C(=N\COC)c1ccc2[nH+]ccn2c1 ZINC001240215997 981164173 /nfs/dbraw/zinc/16/41/73/981164173.db2.gz AOQGMQZNQXRHCY-SDNWHVSQSA-N 1 2 215.256 1.913 20 30 BDEDLO COc1cc(C[NH2+]CCC#N)cc2c1OCCO2 ZINC000037388464 981185324 /nfs/dbraw/zinc/18/53/24/981185324.db2.gz NLZVMOFRILFMSQ-UHFFFAOYSA-N 1 2 248.282 1.470 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](CC)c1noc(C)n1 ZINC001193239975 981278154 /nfs/dbraw/zinc/27/81/54/981278154.db2.gz RSHCVZJNEDXXPW-WDEREUQCSA-N 1 2 239.319 1.746 20 30 BDEDLO C=C(CC)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001348148636 981295853 /nfs/dbraw/zinc/29/58/53/981295853.db2.gz HCQXKNULDYFBCZ-LBPRGKRZSA-N 1 2 245.326 1.743 20 30 BDEDLO Cn1cc[nH+]c1CCNC(=O)CCCCCC#N ZINC001348254415 981318969 /nfs/dbraw/zinc/31/89/69/981318969.db2.gz JMCIWHXIEDXSJA-UHFFFAOYSA-N 1 2 248.330 1.553 20 30 BDEDLO C=C(C)CCC(=O)OCCn1cc[nH+]c1 ZINC001348314798 981335450 /nfs/dbraw/zinc/33/54/50/981335450.db2.gz BCAGLEZDOMUMHP-UHFFFAOYSA-N 1 2 208.261 1.783 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001351627590 982343968 /nfs/dbraw/zinc/34/39/68/982343968.db2.gz IGIPVOVYDBCBJV-RYUDHWBXSA-N 1 2 233.315 1.869 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1ncncc1C#N ZINC001241233399 982387260 /nfs/dbraw/zinc/38/72/60/982387260.db2.gz KLBXXWQELMCEMB-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO N#Cc1cccc(N)c1Nc1ccc(N)[nH+]c1 ZINC001201291691 983168995 /nfs/dbraw/zinc/16/89/95/983168995.db2.gz NHNBMXKIEVXVDK-UHFFFAOYSA-N 1 2 225.255 1.861 20 30 BDEDLO N#Cc1cccnc1Nc1ccc(N)[nH+]c1 ZINC001201271824 983170926 /nfs/dbraw/zinc/17/09/26/983170926.db2.gz DZNHZRIAHXCEFF-UHFFFAOYSA-N 1 2 211.228 1.674 20 30 BDEDLO Cc1cc(Nc2ccc(N)[nH+]c2)cnc1C#N ZINC001201278505 983178215 /nfs/dbraw/zinc/17/82/15/983178215.db2.gz CJHZXFKHGLURAB-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001588663365 983794488 /nfs/dbraw/zinc/79/44/88/983794488.db2.gz LSHOKKKAUPJMBI-QWRGUYRKSA-N 1 2 226.320 1.088 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001588663365 983794490 /nfs/dbraw/zinc/79/44/90/983794490.db2.gz LSHOKKKAUPJMBI-QWRGUYRKSA-N 1 2 226.320 1.088 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001252617579 983852962 /nfs/dbraw/zinc/85/29/62/983852962.db2.gz GEWGWNBTWMUBHD-RYUDHWBXSA-N 1 2 243.347 1.635 20 30 BDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031721 984242597 /nfs/dbraw/zinc/24/25/97/984242597.db2.gz YSOCUQLUFZVLIJ-CHWSQXEVSA-N 1 2 247.342 1.541 20 30 BDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031721 984242611 /nfs/dbraw/zinc/24/26/11/984242611.db2.gz YSOCUQLUFZVLIJ-CHWSQXEVSA-N 1 2 247.342 1.541 20 30 BDEDLO Cn1c[nH+]cc1-c1cccc(/C=N/O)c1 ZINC001243067650 984481786 /nfs/dbraw/zinc/48/17/86/984481786.db2.gz MSIOOZKVCVJYEI-AWNIVKPZSA-N 1 2 201.229 1.895 20 30 BDEDLO Cn1c[nH+]cc1-c1ccc2ncnc(C#N)c2c1 ZINC001243067612 984482590 /nfs/dbraw/zinc/48/25/90/984482590.db2.gz MFGVNSKAIDMIMS-UHFFFAOYSA-N 1 2 235.250 1.902 20 30 BDEDLO COC[C@@H](C[N@@H+]1CC[C@](F)(C#N)C1)C(C)C ZINC000930253547 984950032 /nfs/dbraw/zinc/95/00/32/984950032.db2.gz VTLRTYMMESWLQP-NEPJUHHUSA-N 1 2 228.311 1.843 20 30 BDEDLO COC[C@@H](C[N@H+]1CC[C@](F)(C#N)C1)C(C)C ZINC000930253547 984950037 /nfs/dbraw/zinc/95/00/37/984950037.db2.gz VTLRTYMMESWLQP-NEPJUHHUSA-N 1 2 228.311 1.843 20 30 BDEDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC001454720362 985046466 /nfs/dbraw/zinc/04/64/66/985046466.db2.gz WXVNDJFIGRIJER-LBPRGKRZSA-N 1 2 247.273 1.730 20 30 BDEDLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC001454720362 985046475 /nfs/dbraw/zinc/04/64/75/985046475.db2.gz WXVNDJFIGRIJER-LBPRGKRZSA-N 1 2 247.273 1.730 20 30 BDEDLO C[C@@H](Cc1ccco1)N1CC[NH2+]C[C@H]1C#N ZINC001258186500 985580024 /nfs/dbraw/zinc/58/00/24/985580024.db2.gz NWXIVJZHNSBQHV-WDEREUQCSA-N 1 2 219.288 1.008 20 30 BDEDLO C#CC[N@H+](CC#CC)C/C=C/C(=O)OCC ZINC000688545224 985677043 /nfs/dbraw/zinc/67/70/43/985677043.db2.gz ZTSXVTIYMNZDAZ-CMDGGOBGSA-N 1 2 219.284 1.064 20 30 BDEDLO C#CC[N@@H+](CC#CC)C/C=C/C(=O)OCC ZINC000688545224 985677051 /nfs/dbraw/zinc/67/70/51/985677051.db2.gz ZTSXVTIYMNZDAZ-CMDGGOBGSA-N 1 2 219.284 1.064 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001253597366 986220961 /nfs/dbraw/zinc/22/09/61/986220961.db2.gz DQTZOUQDWNIQEQ-WDEREUQCSA-N 1 2 229.320 1.101 20 30 BDEDLO C=CC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC001468009095 986878845 /nfs/dbraw/zinc/87/88/45/986878845.db2.gz RELXOLVJCCBFEF-UHFFFAOYSA-N 1 2 221.304 1.291 20 30 BDEDLO CCc1[nH]c(CNC(=O)C2(C#N)CC(C)C2)c[nH+]1 ZINC001472018332 987163923 /nfs/dbraw/zinc/16/39/23/987163923.db2.gz BPSOFPVNTNTSSL-UHFFFAOYSA-N 1 2 246.314 1.528 20 30 BDEDLO CCc1[nH]cc(CNC(=O)C2(C#N)CC(C)C2)[nH+]1 ZINC001472018332 987163943 /nfs/dbraw/zinc/16/39/43/987163943.db2.gz BPSOFPVNTNTSSL-UHFFFAOYSA-N 1 2 246.314 1.528 20 30 BDEDLO N#Cc1cccc(C2=NN(CCC[NH3+])C(=O)C2)c1 ZINC001245937320 987204120 /nfs/dbraw/zinc/20/41/20/987204120.db2.gz MSQNANDKRLKNFT-UHFFFAOYSA-N 1 2 242.282 1.476 20 30 BDEDLO N#Cc1cccc(-c2cc(=O)n(CCC[NH3+])[nH]2)c1 ZINC001245937320 987204136 /nfs/dbraw/zinc/20/41/36/987204136.db2.gz MSQNANDKRLKNFT-UHFFFAOYSA-N 1 2 242.282 1.476 20 30 BDEDLO CC(C)c1[nH]cc(CNc2ccc(C#N)nn2)[nH+]1 ZINC001472886451 987298959 /nfs/dbraw/zinc/29/89/59/987298959.db2.gz VYNOCSCANHTBEP-UHFFFAOYSA-N 1 2 242.286 1.807 20 30 BDEDLO CC(C)c1[nH]c(CNc2ccc(C#N)nn2)c[nH+]1 ZINC001472886451 987298965 /nfs/dbraw/zinc/29/89/65/987298965.db2.gz VYNOCSCANHTBEP-UHFFFAOYSA-N 1 2 242.286 1.807 20 30 BDEDLO N#CC1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000797780547 987386794 /nfs/dbraw/zinc/38/67/94/987386794.db2.gz NHRKNMVLFAADHO-UHFFFAOYSA-N 1 2 240.266 1.368 20 30 BDEDLO C[C@@H](C(=O)NCC(C)(C)C#N)n1cc[nH+]c1 ZINC001116528342 987619608 /nfs/dbraw/zinc/61/96/08/987619608.db2.gz XYBBDMWGKLXGAB-VIFPVBQESA-N 1 2 220.276 1.110 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001116541977 987623124 /nfs/dbraw/zinc/62/31/24/987623124.db2.gz OEXHFVGQTQWYLL-SNVBAGLBSA-N 1 2 237.303 1.409 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nnc(CC)o2)C1 ZINC001116541977 987623130 /nfs/dbraw/zinc/62/31/30/987623130.db2.gz OEXHFVGQTQWYLL-SNVBAGLBSA-N 1 2 237.303 1.409 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1ccoc1C(=O)OC ZINC001116621906 987647129 /nfs/dbraw/zinc/64/71/29/987647129.db2.gz HNQMXVFHDVUWDJ-SNVBAGLBSA-N 1 2 239.271 1.357 20 30 BDEDLO CCCn1cc(C[NH2+]C[C@H](C)C#N)c(C)n1 ZINC001474294215 987680025 /nfs/dbraw/zinc/68/00/25/987680025.db2.gz KVKOEOYGXKBXHH-SNVBAGLBSA-N 1 2 220.320 1.851 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001118199744 988094488 /nfs/dbraw/zinc/09/44/88/988094488.db2.gz QTFDLOZEHDSMCY-UHFFFAOYSA-N 1 2 249.314 1.760 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)C ZINC001322115993 988127072 /nfs/dbraw/zinc/12/70/72/988127072.db2.gz DNEVBRQZUBXXNL-SNVBAGLBSA-N 1 2 232.755 1.831 20 30 BDEDLO C=C[C@H](COC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001118240736 988145150 /nfs/dbraw/zinc/14/51/50/988145150.db2.gz SWZIGYJKAPGGSW-WDEREUQCSA-N 1 2 237.303 1.151 20 30 BDEDLO C=CCO[C@@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001325272002 989138772 /nfs/dbraw/zinc/13/87/72/989138772.db2.gz TWOQPZAUAFPSBK-NWDGAFQWSA-N 1 2 249.314 1.248 20 30 BDEDLO CCc1cc(C#N)ccc1C[NH+]1CC(C)(O)C1 ZINC001248748268 989142332 /nfs/dbraw/zinc/14/23/32/989142332.db2.gz DCXIRDPJKIVFLN-UHFFFAOYSA-N 1 2 230.311 1.687 20 30 BDEDLO CCC[N@H+](CCC#N)Cc1cccc(=O)n1C ZINC001248807952 989165421 /nfs/dbraw/zinc/16/54/21/989165421.db2.gz MDYRDHSJONMBPC-UHFFFAOYSA-N 1 2 233.315 1.511 20 30 BDEDLO CCC[N@@H+](CCC#N)Cc1cccc(=O)n1C ZINC001248807952 989165425 /nfs/dbraw/zinc/16/54/25/989165425.db2.gz MDYRDHSJONMBPC-UHFFFAOYSA-N 1 2 233.315 1.511 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC001119606165 989225406 /nfs/dbraw/zinc/22/54/06/989225406.db2.gz KXFLSXWYCXVQDP-QWRGUYRKSA-N 1 2 238.335 1.540 20 30 BDEDLO CC1(C#N)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001119627350 989258103 /nfs/dbraw/zinc/25/81/03/989258103.db2.gz NXCBGBDTEUXDSL-UHFFFAOYSA-N 1 2 232.287 1.104 20 30 BDEDLO C[C@@]1(C2CC2)COCC[N@@H+]1CC1(C#N)CC1 ZINC001119888132 989453533 /nfs/dbraw/zinc/45/35/33/989453533.db2.gz NZISMGSXUQHIQJ-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO C[C@@]1(C2CC2)COCC[N@H+]1CC1(C#N)CC1 ZINC001119888132 989453536 /nfs/dbraw/zinc/45/35/36/989453536.db2.gz NZISMGSXUQHIQJ-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001326382560 989535791 /nfs/dbraw/zinc/53/57/91/989535791.db2.gz HVBJUQWCZDZRRA-LLVKDONJSA-N 1 2 221.304 1.867 20 30 BDEDLO C=CCOCCNc1cc(NC)nc[nH+]1 ZINC001120050852 989577619 /nfs/dbraw/zinc/57/76/19/989577619.db2.gz JOLKYRQUVFRUFZ-UHFFFAOYSA-N 1 2 208.265 1.133 20 30 BDEDLO 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CCn1c[nH+]cc1COC(=O)c1ccc(C#N)o1 ZINC001123471738 990589173 /nfs/dbraw/zinc/58/91/73/990589173.db2.gz ADWPRGUUDVRIEI-UHFFFAOYSA-N 1 2 245.238 1.725 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001123645758 990634172 /nfs/dbraw/zinc/63/41/72/990634172.db2.gz SHONOXKZWUOZPE-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC001123645758 990634176 /nfs/dbraw/zinc/63/41/76/990634176.db2.gz SHONOXKZWUOZPE-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)CCc1[nH+]ccn1C ZINC001123795730 990671752 /nfs/dbraw/zinc/67/17/52/990671752.db2.gz JAUCODVVRUGZDQ-UHFFFAOYSA-N 1 2 248.330 1.361 20 30 BDEDLO C=C(CC(C)C)C(=O)NCc1c[nH+]cn1C ZINC001123922366 990703311 /nfs/dbraw/zinc/70/33/11/990703311.db2.gz XQDHIGRSECUNJQ-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO C=CCc1cccc(C[N@@H+](C)CC(=O)OC)c1O ZINC001138630421 990987767 /nfs/dbraw/zinc/98/77/67/990987767.db2.gz WHEGTQNIEXHRHG-UHFFFAOYSA-N 1 2 249.310 1.726 20 30 BDEDLO 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Cn1ncc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc21 ZINC001139952853 991430916 /nfs/dbraw/zinc/43/09/16/991430916.db2.gz ZQKYHQYCRQFJBV-LBPRGKRZSA-N 1 2 240.310 1.919 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccc2c(n1)CCC2 ZINC001560574993 991504945 /nfs/dbraw/zinc/50/49/45/991504945.db2.gz VFEXDFQKSPIZHK-SNVBAGLBSA-N 1 2 215.300 1.962 20 30 BDEDLO CN(C)C(=O)C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001203008166 991543631 /nfs/dbraw/zinc/54/36/31/991543631.db2.gz ZTBXLFMXBUGTSM-UHFFFAOYSA-N 1 2 243.310 1.005 20 30 BDEDLO CN(C)C(=O)C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001203008166 991543637 /nfs/dbraw/zinc/54/36/37/991543637.db2.gz ZTBXLFMXBUGTSM-UHFFFAOYSA-N 1 2 243.310 1.005 20 30 BDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC1)n1cc[nH+]c1 ZINC001318045918 991614876 /nfs/dbraw/zinc/61/48/76/991614876.db2.gz RJUWWSATRNKDAE-SNVBAGLBSA-N 1 2 232.287 1.349 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318097356 991623674 /nfs/dbraw/zinc/62/36/74/991623674.db2.gz UKWHFLBXDHYQBR-QWRGUYRKSA-N 1 2 234.303 1.452 20 30 BDEDLO C=CCCCC(=O)NCC1C[NH+](CCF)C1 ZINC001318147997 991632394 /nfs/dbraw/zinc/63/23/94/991632394.db2.gz BZDARSUWIZGVCN-UHFFFAOYSA-N 1 2 228.311 1.360 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001319655365 991923015 /nfs/dbraw/zinc/92/30/15/991923015.db2.gz GHJKJJILKIAUPA-UHFFFAOYSA-N 1 2 234.299 1.634 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001319655365 991923031 /nfs/dbraw/zinc/92/30/31/991923031.db2.gz GHJKJJILKIAUPA-UHFFFAOYSA-N 1 2 234.299 1.634 20 30 BDEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)[nH]n1 ZINC001320279555 992152241 /nfs/dbraw/zinc/15/22/41/992152241.db2.gz JYSWNNPZOKTQAZ-UHFFFAOYSA-N 1 2 227.271 1.791 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)c2csc(C#N)c2)C1 ZINC001261293595 992256503 /nfs/dbraw/zinc/25/65/03/992256503.db2.gz RFPDGPBFLGIUEJ-UHFFFAOYSA-N 1 2 249.339 1.442 20 30 BDEDLO C=CC[C@H]([NH2+]C1CC(OCC)C1)C(=O)OCC ZINC001320790080 992359195 /nfs/dbraw/zinc/35/91/95/992359195.db2.gz XSWKERSUZCGPNX-MCIGGMRASA-N 1 2 241.331 1.651 20 30 BDEDLO 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C#CC[N@H+](Cc1cn(CCC=C)nn1)CC1CC1 ZINC001261671611 992456171 /nfs/dbraw/zinc/45/61/71/992456171.db2.gz VNENFABPCJYECG-UHFFFAOYSA-N 1 2 244.342 1.699 20 30 BDEDLO C#CCCCCCC[NH+]1CC(O)(CC#N)C1 ZINC001262010562 992596251 /nfs/dbraw/zinc/59/62/51/992596251.db2.gz JLFIYWRRLIJRRB-UHFFFAOYSA-N 1 2 220.316 1.530 20 30 BDEDLO Cc1cc(C#N)cnc1NC[C@H]1COCC[N@H+]1C ZINC000700205085 993824194 /nfs/dbraw/zinc/82/41/94/993824194.db2.gz AUQQKFMJTFUYTM-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(C#N)cnc1NC[C@H]1COCC[N@@H+]1C ZINC000700205085 993824195 /nfs/dbraw/zinc/82/41/95/993824195.db2.gz AUQQKFMJTFUYTM-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCOC ZINC001282345333 994222901 /nfs/dbraw/zinc/22/29/01/994222901.db2.gz AILQXDXJRBMDPL-JTQLQIEISA-N 1 2 248.754 1.212 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCOC ZINC001282345333 994222890 /nfs/dbraw/zinc/22/28/90/994222890.db2.gz AILQXDXJRBMDPL-JTQLQIEISA-N 1 2 248.754 1.212 20 30 BDEDLO CC(C)C#CC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302092621 995112341 /nfs/dbraw/zinc/11/23/41/995112341.db2.gz LRLBFGRPZAEZBS-UHFFFAOYSA-N 1 2 243.310 1.208 20 30 BDEDLO C[C@H](O)C[N@H+](CCCCC#N)CC(F)F ZINC001307771557 995455838 /nfs/dbraw/zinc/45/58/38/995455838.db2.gz FILLUQXXWDEMIF-VIFPVBQESA-N 1 2 220.263 1.628 20 30 BDEDLO C[C@H](O)C[N@@H+](CCCCC#N)CC(F)F ZINC001307771557 995455844 /nfs/dbraw/zinc/45/58/44/995455844.db2.gz FILLUQXXWDEMIF-VIFPVBQESA-N 1 2 220.263 1.628 20 30 BDEDLO C#CC1(O)C[NH+](CC/C=C\c2ccccc2)C1 ZINC001308137226 995566386 /nfs/dbraw/zinc/56/63/86/995566386.db2.gz PPXCXTQASYYING-POHAHGRESA-N 1 2 227.307 1.770 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602116107 349445866 /nfs/dbraw/zinc/44/58/66/349445866.db2.gz JXDGUEZTBQQJTC-FXPVBKGRSA-N 1 2 246.314 1.568 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602116107 349445869 /nfs/dbraw/zinc/44/58/69/349445869.db2.gz JXDGUEZTBQQJTC-FXPVBKGRSA-N 1 2 246.314 1.568 20 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BDEDLO C=C(C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649910153 398182936 /nfs/dbraw/zinc/18/29/36/398182936.db2.gz GMKWEJFZPVCRLV-NSHDSACASA-N 1 2 221.304 1.869 20 30 BDEDLO CC(C)(CF)[NH2+]Cc1nc(C#N)cs1 ZINC000336687409 398190081 /nfs/dbraw/zinc/19/00/81/398190081.db2.gz MUEAKOJUFCVHIB-UHFFFAOYSA-N 1 2 213.281 1.852 20 30 BDEDLO COC1(C)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000335205059 398191787 /nfs/dbraw/zinc/19/17/87/398191787.db2.gz ROPVEMFHMDMLGR-UHFFFAOYSA-N 1 2 222.313 1.840 20 30 BDEDLO CC#CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000309375107 136217886 /nfs/dbraw/zinc/21/78/86/136217886.db2.gz RAYJSKMSFICYCR-UHFFFAOYSA-N 1 2 219.292 1.071 20 30 BDEDLO CC#CCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000309375107 136217887 /nfs/dbraw/zinc/21/78/87/136217887.db2.gz RAYJSKMSFICYCR-UHFFFAOYSA-N 1 2 219.292 1.071 20 30 BDEDLO CC#CC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426209399 398215965 /nfs/dbraw/zinc/21/59/65/398215965.db2.gz SLKXSQVHRJEZBE-LBPRGKRZSA-N 1 2 222.332 1.198 20 30 BDEDLO CC#CC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426209399 398215968 /nfs/dbraw/zinc/21/59/68/398215968.db2.gz SLKXSQVHRJEZBE-LBPRGKRZSA-N 1 2 222.332 1.198 20 30 BDEDLO C=CCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000264003589 187331818 /nfs/dbraw/zinc/33/18/18/187331818.db2.gz SBPQCFZWCFTEBL-UHFFFAOYSA-N 1 2 207.277 1.345 20 30 BDEDLO CN(C)C(=O)C[N@H+](C)Cc1ccccc1C#N ZINC000037249295 361777186 /nfs/dbraw/zinc/77/71/86/361777186.db2.gz SBXHEIDODSQOIM-UHFFFAOYSA-N 1 2 231.299 1.078 20 30 BDEDLO CN(C)C(=O)C[N@@H+](C)Cc1ccccc1C#N ZINC000037249295 361777188 /nfs/dbraw/zinc/77/71/88/361777188.db2.gz SBXHEIDODSQOIM-UHFFFAOYSA-N 1 2 231.299 1.078 20 30 BDEDLO CCC[C@@H](C[N@@H+](CCC#N)CCOC)OC ZINC000602465576 349539036 /nfs/dbraw/zinc/53/90/36/349539036.db2.gz PKVBJZFYIBVCEA-LBPRGKRZSA-N 1 2 228.336 1.664 20 30 BDEDLO CCC[C@@H](C[N@H+](CCC#N)CCOC)OC ZINC000602465576 349539039 /nfs/dbraw/zinc/53/90/39/349539039.db2.gz PKVBJZFYIBVCEA-LBPRGKRZSA-N 1 2 228.336 1.664 20 30 BDEDLO CC[C@@H](C)[C@H](C[N@@H+](CCC#N)CCOC)OC ZINC000602466035 349538666 /nfs/dbraw/zinc/53/86/66/349538666.db2.gz UQCARGWAAQVURV-OLZOCXBDSA-N 1 2 242.363 1.910 20 30 BDEDLO CC[C@@H](C)[C@H](C[N@H+](CCC#N)CCOC)OC ZINC000602466035 349538670 /nfs/dbraw/zinc/53/86/70/349538670.db2.gz UQCARGWAAQVURV-OLZOCXBDSA-N 1 2 242.363 1.910 20 30 BDEDLO CC#CCCCC(=O)NCc1c[nH+]cn1C ZINC000291269817 538947206 /nfs/dbraw/zinc/94/72/06/538947206.db2.gz QBSLFELRCPCQCS-UHFFFAOYSA-N 1 2 219.288 1.230 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(F)c1N ZINC000602446458 349546577 /nfs/dbraw/zinc/54/65/77/349546577.db2.gz DHTMHUXCGJNZNM-VIFPVBQESA-N 1 2 221.279 1.999 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(F)c1N ZINC000602446458 349546581 /nfs/dbraw/zinc/54/65/81/349546581.db2.gz DHTMHUXCGJNZNM-VIFPVBQESA-N 1 2 221.279 1.999 20 30 BDEDLO CCOC(=O)c1ccc(C[N@H+](C)C[C@H](C)C#N)[nH]1 ZINC000602447295 349546970 /nfs/dbraw/zinc/54/69/70/349546970.db2.gz MJSGWHBYEZVLQY-SNVBAGLBSA-N 1 2 249.314 1.783 20 30 BDEDLO CCOC(=O)c1ccc(C[N@@H+](C)C[C@H](C)C#N)[nH]1 ZINC000602447295 349546973 /nfs/dbraw/zinc/54/69/73/349546973.db2.gz MJSGWHBYEZVLQY-SNVBAGLBSA-N 1 2 249.314 1.783 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602447331 349547220 /nfs/dbraw/zinc/54/72/20/349547220.db2.gz MUONRBPXVNBEDA-SECBINFHSA-N 1 2 205.261 1.379 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602447331 349547222 /nfs/dbraw/zinc/54/72/22/349547222.db2.gz MUONRBPXVNBEDA-SECBINFHSA-N 1 2 205.261 1.379 20 30 BDEDLO CCN(CC#N)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602449991 349551280 /nfs/dbraw/zinc/55/12/80/349551280.db2.gz NMEQQRCBLJCMKD-UHFFFAOYSA-N 1 2 233.271 1.198 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000615651867 398271873 /nfs/dbraw/zinc/27/18/73/398271873.db2.gz NRDOPTOHOGUPIR-GHMZBOCLSA-N 1 2 212.268 1.351 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000615651867 398271877 /nfs/dbraw/zinc/27/18/77/398271877.db2.gz NRDOPTOHOGUPIR-GHMZBOCLSA-N 1 2 212.268 1.351 20 30 BDEDLO Cc1[nH]c(CN(C)[C@@H](C)CC#N)[nH+]c1C ZINC000600117676 342674199 /nfs/dbraw/zinc/67/41/99/342674199.db2.gz MPPNXYAOFAJVKC-QMMMGPOBSA-N 1 2 206.293 1.761 20 30 BDEDLO Cc1nc(C)c(C[NH2+]CC2(C#N)CC2)o1 ZINC000600154052 342691847 /nfs/dbraw/zinc/69/18/47/342691847.db2.gz UPRZUTBSUOKFOB-UHFFFAOYSA-N 1 2 205.261 1.685 20 30 BDEDLO Cc1c[nH]c(CN(C)CC(C)(C)C#N)[nH+]1 ZINC000600168620 342694832 /nfs/dbraw/zinc/69/48/32/342694832.db2.gz LFWZGDWGPDEHFW-UHFFFAOYSA-N 1 2 206.293 1.700 20 30 BDEDLO C=C(C)CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000182107122 538962037 /nfs/dbraw/zinc/96/20/37/538962037.db2.gz LAIXLMZAIUNTQK-UHFFFAOYSA-N 1 2 222.292 1.101 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000183813051 346860278 /nfs/dbraw/zinc/86/02/78/346860278.db2.gz IMPNDKMYUYUTOL-VIFPVBQESA-N 1 2 220.320 1.956 20 30 BDEDLO COc1ccc(NC[C@H](C)CCC#N)[nH+]c1 ZINC000602571140 349621860 /nfs/dbraw/zinc/62/18/60/349621860.db2.gz YDHODLSCYKQKAG-SNVBAGLBSA-N 1 2 219.288 1.864 20 30 BDEDLO C[C@H](CCC#N)CNc1ccc(N(C)C)c[nH+]1 ZINC000602568041 349619542 /nfs/dbraw/zinc/61/95/42/349619542.db2.gz IDHGRSBLLMCEEO-LLVKDONJSA-N 1 2 232.331 1.921 20 30 BDEDLO CO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356109491 398289045 /nfs/dbraw/zinc/28/90/45/398289045.db2.gz KYELTWOEVCFBOS-VIFPVBQESA-N 1 2 223.301 1.235 20 30 BDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356109491 398289046 /nfs/dbraw/zinc/28/90/46/398289046.db2.gz KYELTWOEVCFBOS-VIFPVBQESA-N 1 2 223.301 1.235 20 30 BDEDLO C[C@@]1(O)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356127305 398289413 /nfs/dbraw/zinc/28/94/13/398289413.db2.gz NRJORLHXZBGFBD-LLVKDONJSA-N 1 2 237.328 1.362 20 30 BDEDLO C[C@@]1(O)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356127305 398289416 /nfs/dbraw/zinc/28/94/16/398289416.db2.gz NRJORLHXZBGFBD-LLVKDONJSA-N 1 2 237.328 1.362 20 30 BDEDLO C[C@H](C#N)Sc1[nH+]cnc2c1cnn2C ZINC000011680594 342842521 /nfs/dbraw/zinc/84/25/21/342842521.db2.gz YNAJFASDDOAKPH-ZCFIWIBFSA-N 1 2 219.273 1.367 20 30 BDEDLO Cc1ncc([C@@H](C)[NH2+]C[C@H](C)C#N)c(C)n1 ZINC000602607050 349628748 /nfs/dbraw/zinc/62/87/48/349628748.db2.gz FWQLIGWHMZKWOF-RKDXNWHRSA-N 1 2 218.304 1.904 20 30 BDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCOCC2)c1 ZINC000059950883 342876835 /nfs/dbraw/zinc/87/68/35/342876835.db2.gz GXHFNVFBXOPXJB-UHFFFAOYSA-N 1 2 234.274 1.920 20 30 BDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCOCC2)c1 ZINC000059950883 342876836 /nfs/dbraw/zinc/87/68/36/342876836.db2.gz GXHFNVFBXOPXJB-UHFFFAOYSA-N 1 2 234.274 1.920 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(C#N)n1 ZINC000602610137 349633521 /nfs/dbraw/zinc/63/35/21/349633521.db2.gz GGNJAXPRWBKXSM-JTQLQIEISA-N 1 2 214.272 1.735 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602613259 349636792 /nfs/dbraw/zinc/63/67/92/349636792.db2.gz VLNZGOPZSFJIBG-SECBINFHSA-N 1 2 237.263 1.110 20 30 BDEDLO COc1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000602708297 349701510 /nfs/dbraw/zinc/70/15/10/349701510.db2.gz NXXQBIUCJPYBNT-UHFFFAOYSA-N 1 2 223.301 1.497 20 30 BDEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CC(CC#N)C1 ZINC000602708267 349701543 /nfs/dbraw/zinc/70/15/43/349701543.db2.gz NLWQDZCMCNOPME-GFCCVEGCSA-N 1 2 230.315 1.717 20 30 BDEDLO Cc1ncc([C@@H](C)[NH+]2CC(CC#N)C2)c(C)n1 ZINC000602710790 349703452 /nfs/dbraw/zinc/70/34/52/349703452.db2.gz YZKMYMLFQBPQJL-SNVBAGLBSA-N 1 2 230.315 2.000 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC1(C#N)CCC1 ZINC000492495274 529552012 /nfs/dbraw/zinc/55/20/12/529552012.db2.gz VXNHLTKCNIGMFO-SNAWJCMRSA-N 1 2 244.298 1.479 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@@H]1SC)C(=O)OC ZINC000602739589 349709358 /nfs/dbraw/zinc/70/93/58/349709358.db2.gz QVLOTPICQDZPNF-VWYCJHECSA-N 1 2 243.372 1.978 20 30 BDEDLO CCN(C#N)CC[N@H+](CC)C[C@@H](C)C#N ZINC000602770560 349724956 /nfs/dbraw/zinc/72/49/56/349724956.db2.gz UCDYJXZZQALARD-NSHDSACASA-N 1 2 208.309 1.271 20 30 BDEDLO CCN(C#N)CC[N@@H+](CC)C[C@@H](C)C#N ZINC000602770560 349724959 /nfs/dbraw/zinc/72/49/59/349724959.db2.gz UCDYJXZZQALARD-NSHDSACASA-N 1 2 208.309 1.271 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000602733833 349719049 /nfs/dbraw/zinc/71/90/49/349719049.db2.gz LKYZSRQMAZPDMY-UWVGGRQHSA-N 1 2 215.293 1.119 20 30 BDEDLO N#CCC1(C[NH+]2CCN([C@H]3CCOC3)CC2)CC1 ZINC000602797477 349738420 /nfs/dbraw/zinc/73/84/20/349738420.db2.gz BXCXZKRVPQKNOI-ZDUSSCGKSA-N 1 2 249.358 1.087 20 30 BDEDLO CCN(C#N)CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000602802038 349741936 /nfs/dbraw/zinc/74/19/36/349741936.db2.gz SJTYOWVKUTYRLG-LLVKDONJSA-N 1 2 220.320 1.413 20 30 BDEDLO CCN(C#N)CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000602802038 349741938 /nfs/dbraw/zinc/74/19/38/349741938.db2.gz SJTYOWVKUTYRLG-LLVKDONJSA-N 1 2 220.320 1.413 20 30 BDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CC1(CC#N)CC1 ZINC000602785382 349749091 /nfs/dbraw/zinc/74/90/91/349749091.db2.gz RWEZCPHLFBYXMH-SNVBAGLBSA-N 1 2 244.360 1.045 20 30 BDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CC1(CC#N)CC1 ZINC000602785382 349749095 /nfs/dbraw/zinc/74/90/95/349749095.db2.gz RWEZCPHLFBYXMH-SNVBAGLBSA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000214577429 349753190 /nfs/dbraw/zinc/75/31/90/349753190.db2.gz XPWPJNSFKPBVBH-LBPRGKRZSA-N 1 2 240.253 1.844 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000214577429 349753194 /nfs/dbraw/zinc/75/31/94/349753194.db2.gz XPWPJNSFKPBVBH-LBPRGKRZSA-N 1 2 240.253 1.844 20 30 BDEDLO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602862056 349773433 /nfs/dbraw/zinc/77/34/33/349773433.db2.gz KTMJZANNIDJCGQ-MNOVXSKESA-N 1 2 225.336 1.429 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccn1 ZINC000602842905 349780451 /nfs/dbraw/zinc/78/04/51/349780451.db2.gz RWMAZKIOVUWXSL-JTQLQIEISA-N 1 2 232.287 1.302 20 30 BDEDLO C[C@@H]1[C@H](C)[N@H+](CC2(C#N)CC2)[C@@H](C)C(=O)N1C ZINC000602847807 349783316 /nfs/dbraw/zinc/78/33/16/349783316.db2.gz KPQBRZIJSRTFGO-VWYCJHECSA-N 1 2 235.331 1.230 20 30 BDEDLO C[C@@H]1[C@H](C)[N@@H+](CC2(C#N)CC2)[C@@H](C)C(=O)N1C ZINC000602847807 349783319 /nfs/dbraw/zinc/78/33/19/349783319.db2.gz KPQBRZIJSRTFGO-VWYCJHECSA-N 1 2 235.331 1.230 20 30 BDEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)nc1 ZINC000352467034 136263902 /nfs/dbraw/zinc/26/39/02/136263902.db2.gz HUQYMAPALQQFQI-UHFFFAOYSA-N 1 2 249.289 1.918 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccnc(Cl)c1 ZINC000174528285 187227621 /nfs/dbraw/zinc/22/76/21/187227621.db2.gz UDORTDCITUBDJC-UHFFFAOYSA-N 1 2 218.687 1.803 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000353418893 136265409 /nfs/dbraw/zinc/26/54/09/136265409.db2.gz HWFBKCXGLWRGFP-JTQLQIEISA-N 1 2 243.314 1.702 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000353418893 136265410 /nfs/dbraw/zinc/26/54/10/136265410.db2.gz HWFBKCXGLWRGFP-JTQLQIEISA-N 1 2 243.314 1.702 20 30 BDEDLO C=CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114471803 136266588 /nfs/dbraw/zinc/26/65/88/136266588.db2.gz IXTRDZNZTWUFIJ-SECBINFHSA-N 1 2 237.328 1.732 20 30 BDEDLO C=CC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114471803 136266589 /nfs/dbraw/zinc/26/65/89/136266589.db2.gz IXTRDZNZTWUFIJ-SECBINFHSA-N 1 2 237.328 1.732 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359682506 136267433 /nfs/dbraw/zinc/26/74/33/136267433.db2.gz NHNNVCBGCNOJFV-SECBINFHSA-N 1 2 223.276 1.007 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359682506 136267434 /nfs/dbraw/zinc/26/74/34/136267434.db2.gz NHNNVCBGCNOJFV-SECBINFHSA-N 1 2 223.276 1.007 20 30 BDEDLO C=CCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265756838 187234599 /nfs/dbraw/zinc/23/45/99/187234599.db2.gz KTINYMNZTGUIOB-NSHDSACASA-N 1 2 221.304 1.602 20 30 BDEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000264427929 187234652 /nfs/dbraw/zinc/23/46/52/187234652.db2.gz BUQMGECMMWDZGJ-NSHDSACASA-N 1 2 249.314 1.962 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000265061688 187234712 /nfs/dbraw/zinc/23/47/12/187234712.db2.gz YYCSYYKJIRCXDT-SNVBAGLBSA-N 1 2 228.723 1.482 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000265061688 187234714 /nfs/dbraw/zinc/23/47/14/187234714.db2.gz YYCSYYKJIRCXDT-SNVBAGLBSA-N 1 2 228.723 1.482 20 30 BDEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000264427927 187235109 /nfs/dbraw/zinc/23/51/09/187235109.db2.gz BUQMGECMMWDZGJ-LLVKDONJSA-N 1 2 249.314 1.962 20 30 BDEDLO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602865516 349797731 /nfs/dbraw/zinc/79/77/31/349797731.db2.gz YNZGXJKEBZHYFJ-UWVGGRQHSA-N 1 2 225.336 1.571 20 30 BDEDLO C#CCCCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271749774 187236630 /nfs/dbraw/zinc/23/66/30/187236630.db2.gz FJENVAIVUBXOIB-UHFFFAOYSA-N 1 2 248.330 1.365 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602865599 349798176 /nfs/dbraw/zinc/79/81/76/349798176.db2.gz WSXHMCFTNFMPFB-NSHDSACASA-N 1 2 223.320 1.303 20 30 BDEDLO C=C1CC[NH+](Cc2oncc2C(=O)OC)CC1 ZINC000286577824 136287477 /nfs/dbraw/zinc/28/74/77/136287477.db2.gz WJYLPNUULUGFBJ-UHFFFAOYSA-N 1 2 236.271 1.613 20 30 BDEDLO CCN(CC#N)Cc1cn2cccc(C)c2[nH+]1 ZINC000609144503 343321085 /nfs/dbraw/zinc/32/10/85/343321085.db2.gz OLYMXLZPTIAKSV-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2CC(C)(C)C2)nn1 ZINC000641068791 362176078 /nfs/dbraw/zinc/17/60/78/362176078.db2.gz JHCUIMVBKPVOPB-UHFFFAOYSA-N 1 2 246.358 1.827 20 30 BDEDLO Cc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc[nH+]1 ZINC000335652480 136305625 /nfs/dbraw/zinc/30/56/25/136305625.db2.gz GJGJXLAUARLRHJ-QPUJVOFHSA-N 1 2 215.256 1.300 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)OC ZINC000299181968 343395359 /nfs/dbraw/zinc/39/53/59/343395359.db2.gz ZGIRKCPKLUCDEZ-NSHDSACASA-N 1 2 237.299 1.872 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)OC ZINC000299181968 343395362 /nfs/dbraw/zinc/39/53/62/343395362.db2.gz ZGIRKCPKLUCDEZ-NSHDSACASA-N 1 2 237.299 1.872 20 30 BDEDLO C=C(C)CN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000349161082 136328108 /nfs/dbraw/zinc/32/81/08/136328108.db2.gz RWIHIKHNKXZARK-LLVKDONJSA-N 1 2 236.319 1.489 20 30 BDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC1(C#N)CC1 ZINC000335727571 136347927 /nfs/dbraw/zinc/34/79/27/136347927.db2.gz NJFSSKGSVNIKKW-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC1(C#N)CC1 ZINC000335727571 136347928 /nfs/dbraw/zinc/34/79/28/136347928.db2.gz NJFSSKGSVNIKKW-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCOC1 ZINC000329632865 136368168 /nfs/dbraw/zinc/36/81/68/136368168.db2.gz WKEGQIVCHSHVDN-NXEZZACHSA-N 1 2 249.314 1.650 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCOC1 ZINC000329632865 136368169 /nfs/dbraw/zinc/36/81/69/136368169.db2.gz WKEGQIVCHSHVDN-NXEZZACHSA-N 1 2 249.314 1.650 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(CSC)s1 ZINC000292926802 136375915 /nfs/dbraw/zinc/37/59/15/136375915.db2.gz IROHFXISMBFWRD-MRVPVSSYSA-N 1 2 244.385 1.643 20 30 BDEDLO CC1(O)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000084356209 343530147 /nfs/dbraw/zinc/53/01/47/343530147.db2.gz VMOBMDBYBYYDTC-UHFFFAOYSA-N 1 2 202.257 1.125 20 30 BDEDLO CCN(CC#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000580568968 365774676 /nfs/dbraw/zinc/77/46/76/365774676.db2.gz VXKDWMIFFQPENS-UHFFFAOYSA-N 1 2 242.282 1.628 20 30 BDEDLO C=CCCC(=O)NCc1[nH+]ccn1CC ZINC000580569738 365774701 /nfs/dbraw/zinc/77/47/01/365774701.db2.gz CNDOVAGZYHSTEK-UHFFFAOYSA-N 1 2 207.277 1.485 20 30 BDEDLO Cc1nccnc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981342 349830673 /nfs/dbraw/zinc/83/06/73/349830673.db2.gz BREKEHFBPKHZAE-AAEUAGOBSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1nccnc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981342 349830675 /nfs/dbraw/zinc/83/06/75/349830675.db2.gz BREKEHFBPKHZAE-AAEUAGOBSA-N 1 2 230.315 1.909 20 30 BDEDLO CCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584207653 343774023 /nfs/dbraw/zinc/77/40/23/343774023.db2.gz QIDQSBANGPGDSF-LLVKDONJSA-N 1 2 211.309 1.137 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492855569 529841360 /nfs/dbraw/zinc/84/13/60/529841360.db2.gz UCSPDEWHIJQCLV-SNAWJCMRSA-N 1 2 232.287 1.431 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000576648055 343755811 /nfs/dbraw/zinc/75/58/11/343755811.db2.gz WRKXKTHUQPPEEW-NWDGAFQWSA-N 1 2 231.299 1.495 20 30 BDEDLO Cn1cc[nH+]c1CSc1ccc(C#N)cn1 ZINC000334246935 343850756 /nfs/dbraw/zinc/85/07/56/343850756.db2.gz UKPBSXSRPKYDJR-UHFFFAOYSA-N 1 2 230.296 1.979 20 30 BDEDLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)ccc1C#N ZINC000334642412 343895733 /nfs/dbraw/zinc/89/57/33/343895733.db2.gz QSSHOMTZFITDGB-UHFFFAOYSA-N 1 2 243.310 1.141 20 30 BDEDLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)ccc1C#N ZINC000334642412 343895738 /nfs/dbraw/zinc/89/57/38/343895738.db2.gz QSSHOMTZFITDGB-UHFFFAOYSA-N 1 2 243.310 1.141 20 30 BDEDLO Cc1[nH+]cccc1Cn1cc(CCC#N)nn1 ZINC000603223994 349888653 /nfs/dbraw/zinc/88/86/53/349888653.db2.gz WWORNEFLSNTVKS-UHFFFAOYSA-N 1 2 227.271 1.486 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000334645436 343896730 /nfs/dbraw/zinc/89/67/30/343896730.db2.gz PQZNCXFXLWVHCJ-ZDUSSCGKSA-N 1 2 234.274 1.729 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000334645436 343896733 /nfs/dbraw/zinc/89/67/33/343896733.db2.gz PQZNCXFXLWVHCJ-ZDUSSCGKSA-N 1 2 234.274 1.729 20 30 BDEDLO N#Cc1ccnc(NCCNc2cccc[nH+]2)c1 ZINC000341386845 187355419 /nfs/dbraw/zinc/35/54/19/187355419.db2.gz SFXCMCCZOLARHJ-UHFFFAOYSA-N 1 2 239.282 1.872 20 30 BDEDLO N#CCN1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000603291950 349905216 /nfs/dbraw/zinc/90/52/16/349905216.db2.gz PKPXBBGZSYPPRK-UHFFFAOYSA-N 1 2 234.278 1.042 20 30 BDEDLO C=C[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C(=O)OC ZINC000381705716 344537697 /nfs/dbraw/zinc/53/76/97/344537697.db2.gz JFJBGOFUIRUKTR-MXWKQRLJSA-N 1 2 227.304 1.119 20 30 BDEDLO N#CC1(CNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000577692140 344587798 /nfs/dbraw/zinc/58/77/98/344587798.db2.gz AOURCQGOIOIYMX-UHFFFAOYSA-N 1 2 240.266 1.368 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152732196 344684829 /nfs/dbraw/zinc/68/48/29/344684829.db2.gz PZUYJKIAKAXMMX-MNOVXSKESA-N 1 2 233.315 1.526 20 30 BDEDLO C[N@H+](CC#N)[C@@H]1CCc2ccccc2C1 ZINC000114489076 344687718 /nfs/dbraw/zinc/68/77/18/344687718.db2.gz KESPFCOBFHWLBJ-CYBMUJFWSA-N 1 2 200.285 1.999 20 30 BDEDLO C[N@@H+](CC#N)[C@@H]1CCc2ccccc2C1 ZINC000114489076 344687720 /nfs/dbraw/zinc/68/77/20/344687720.db2.gz KESPFCOBFHWLBJ-CYBMUJFWSA-N 1 2 200.285 1.999 20 30 BDEDLO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC#N)CC2 ZINC000152765871 344688699 /nfs/dbraw/zinc/68/86/99/344688699.db2.gz MFWKCOUNSJPRBB-NEPJUHHUSA-N 1 2 238.331 1.152 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000289332130 344707143 /nfs/dbraw/zinc/70/71/43/344707143.db2.gz GWVQGTCUVLSXDO-ZETCQYMHSA-N 1 2 242.120 1.294 20 30 BDEDLO N#CCN(C(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000074680170 344757128 /nfs/dbraw/zinc/75/71/28/344757128.db2.gz NTWGSAOWZTXNGV-UHFFFAOYSA-N 1 2 232.287 1.178 20 30 BDEDLO CCC[N@@H+](CC#N)CCC(=O)N1CCC[C@@H]1C ZINC000075747904 344779162 /nfs/dbraw/zinc/77/91/62/344779162.db2.gz GRVMHPBSLPRAKV-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO CCC[N@H+](CC#N)CCC(=O)N1CCC[C@@H]1C ZINC000075747904 344779163 /nfs/dbraw/zinc/77/91/63/344779163.db2.gz GRVMHPBSLPRAKV-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO CC[C@@H](C)[C@@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000425221688 192084328 /nfs/dbraw/zinc/08/43/28/192084328.db2.gz FNUGRSWHYQTLHH-YGRLFVJLSA-N 1 2 247.342 1.893 20 30 BDEDLO Cc1cc(N(C)C[C@H]2CCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000425241987 192085541 /nfs/dbraw/zinc/08/55/41/192085541.db2.gz BIUPDSPORJCDAR-RISCZKNCSA-N 1 2 245.326 1.859 20 30 BDEDLO Cc1cc(N(C)C[C@@H]2CCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000425241986 192085472 /nfs/dbraw/zinc/08/54/72/192085472.db2.gz BIUPDSPORJCDAR-FZMZJTMJSA-N 1 2 245.326 1.859 20 30 BDEDLO CC(C)O[NH+]=C(N)COc1ccccc1 ZINC000127221649 345165221 /nfs/dbraw/zinc/16/52/21/345165221.db2.gz SRBMROOEBZCFRZ-UHFFFAOYSA-N 1 2 208.261 1.763 20 30 BDEDLO Cc1cc(N2CC[C@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000425245121 192085693 /nfs/dbraw/zinc/08/56/93/192085693.db2.gz WBKVDMYDSCXXEM-AWEZNQCLSA-N 1 2 243.310 1.879 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000562384586 345372224 /nfs/dbraw/zinc/37/22/24/345372224.db2.gz SXGGXCCJESCDCP-UHFFFAOYSA-N 1 2 231.255 1.988 20 30 BDEDLO CC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000562479301 345397309 /nfs/dbraw/zinc/39/73/09/345397309.db2.gz XEBWDZKJCOLIMD-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000562479301 345397311 /nfs/dbraw/zinc/39/73/11/345397311.db2.gz XEBWDZKJCOLIMD-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CCc1cc(N)nc(S[C@@H](C#N)C2CC2)[nH+]1 ZINC000601081685 346022262 /nfs/dbraw/zinc/02/22/62/346022262.db2.gz SEIWHXPVZQAYGT-VIFPVBQESA-N 1 2 234.328 1.846 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587051393 346178952 /nfs/dbraw/zinc/17/89/52/346178952.db2.gz MXOQCVHYNNOXTN-GXFFZTMASA-N 1 2 246.314 1.254 20 30 BDEDLO CC(C)(CC#N)CNc1cc(CO)cc[nH+]1 ZINC000603397615 349946432 /nfs/dbraw/zinc/94/64/32/349946432.db2.gz WUAWSRWUKUKEQY-UHFFFAOYSA-N 1 2 219.288 1.926 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](CO)(CCC)C1 ZINC000588985347 346277408 /nfs/dbraw/zinc/27/74/08/346277408.db2.gz MZNOFSPGJGEPKF-DGCLKSJQSA-N 1 2 241.331 1.199 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](CO)(CCC)C1 ZINC000588985347 346277411 /nfs/dbraw/zinc/27/74/11/346277411.db2.gz MZNOFSPGJGEPKF-DGCLKSJQSA-N 1 2 241.331 1.199 20 30 BDEDLO C#C[C@@H](CC)[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000390431625 259388601 /nfs/dbraw/zinc/38/86/01/259388601.db2.gz AHQWPJVCOJOYSM-RYUDHWBXSA-N 1 2 225.332 1.966 20 30 BDEDLO C=CCCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000279692969 166239256 /nfs/dbraw/zinc/23/92/56/166239256.db2.gz AXRYNPALGAINQY-NSHDSACASA-N 1 2 236.319 1.537 20 30 BDEDLO C=C(C)CN(CC)C(=O)Cn1cc[nH+]c1 ZINC000104664286 346542325 /nfs/dbraw/zinc/54/23/25/346542325.db2.gz UDYIUXSQGHRZDU-UHFFFAOYSA-N 1 2 207.277 1.308 20 30 BDEDLO CC1(C)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589502060 346708736 /nfs/dbraw/zinc/70/87/36/346708736.db2.gz HPGHAMHKIZNQOO-UHFFFAOYSA-N 1 2 207.302 1.999 20 30 BDEDLO CC1(C)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000589502060 346708737 /nfs/dbraw/zinc/70/87/37/346708737.db2.gz HPGHAMHKIZNQOO-UHFFFAOYSA-N 1 2 207.302 1.999 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1C(F)F ZINC000309571795 347105281 /nfs/dbraw/zinc/10/52/81/347105281.db2.gz NVOYUVDRKBFSNJ-SSDOTTSWSA-N 1 2 228.246 1.607 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cn(C)nc1C(F)F ZINC000309571797 347105461 /nfs/dbraw/zinc/10/54/61/347105461.db2.gz NVOYUVDRKBFSNJ-ZETCQYMHSA-N 1 2 228.246 1.607 20 30 BDEDLO COCCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000183248889 347123273 /nfs/dbraw/zinc/12/32/73/347123273.db2.gz VXYLXIOGIDAYNT-UHFFFAOYSA-N 1 2 244.241 1.638 20 30 BDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CC#N)c1C ZINC000184300940 347156804 /nfs/dbraw/zinc/15/68/04/347156804.db2.gz XUPBKKCSRLMVBP-UHFFFAOYSA-N 1 2 247.298 1.579 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1nc(N(C)C)no1 ZINC000188192180 347275120 /nfs/dbraw/zinc/27/51/20/347275120.db2.gz ANENNSOWYHFULD-UHFFFAOYSA-N 1 2 224.308 1.534 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nc(N(C)C)no1 ZINC000188192180 347275122 /nfs/dbraw/zinc/27/51/22/347275122.db2.gz ANENNSOWYHFULD-UHFFFAOYSA-N 1 2 224.308 1.534 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000590757674 347505782 /nfs/dbraw/zinc/50/57/82/347505782.db2.gz XYZILXUJWPABML-GHMZBOCLSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000590757674 347505784 /nfs/dbraw/zinc/50/57/84/347505784.db2.gz XYZILXUJWPABML-GHMZBOCLSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000590757342 347505926 /nfs/dbraw/zinc/50/59/26/347505926.db2.gz KFESOTLUJIOYEL-AXFHLTTASA-N 1 2 227.304 1.071 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000590757342 347505928 /nfs/dbraw/zinc/50/59/28/347505928.db2.gz KFESOTLUJIOYEL-AXFHLTTASA-N 1 2 227.304 1.071 20 30 BDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](F)C2)ccn1 ZINC000590755765 347506118 /nfs/dbraw/zinc/50/61/18/347506118.db2.gz BRNOMQZGWWJBIP-SNVBAGLBSA-N 1 2 205.236 1.497 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](F)C2)ccn1 ZINC000590755765 347506121 /nfs/dbraw/zinc/50/61/21/347506121.db2.gz BRNOMQZGWWJBIP-SNVBAGLBSA-N 1 2 205.236 1.497 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC ZINC000591377385 347651301 /nfs/dbraw/zinc/65/13/01/347651301.db2.gz LEXDBBXHOZKDIO-RCWTZXSCSA-N 1 2 227.304 1.117 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CCOCCC#N)C(C)(C)C ZINC000590167633 347608856 /nfs/dbraw/zinc/60/88/56/347608856.db2.gz CWWBINSGNMXCDG-SNVBAGLBSA-N 1 2 242.319 1.094 20 30 BDEDLO Cc1ccc(C[NH2+]CCC#N)c(N2CCCC2)n1 ZINC000591759362 347692057 /nfs/dbraw/zinc/69/20/57/347692057.db2.gz JOPLMKCOSYFXDQ-UHFFFAOYSA-N 1 2 244.342 1.994 20 30 BDEDLO CC[N@@H+](Cc1ccncc1C#N)C[C@@H]1CCCO1 ZINC000592066371 347725786 /nfs/dbraw/zinc/72/57/86/347725786.db2.gz XWPBGAVPWFVEJU-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[N@H+](Cc1ccncc1C#N)C[C@@H]1CCCO1 ZINC000592066371 347725788 /nfs/dbraw/zinc/72/57/88/347725788.db2.gz XWPBGAVPWFVEJU-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CO[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592067510 347726598 /nfs/dbraw/zinc/72/65/98/347726598.db2.gz XOCLNCUTQUASPI-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO CO[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592067510 347726602 /nfs/dbraw/zinc/72/66/02/347726602.db2.gz XOCLNCUTQUASPI-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO N#CCC[NH2+][C@H](CCO)c1ccccc1F ZINC000592159748 347746107 /nfs/dbraw/zinc/74/61/07/347746107.db2.gz FLXBZBXEOWONHC-GFCCVEGCSA-N 1 2 222.263 1.752 20 30 BDEDLO CSCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154661 347866616 /nfs/dbraw/zinc/86/66/16/347866616.db2.gz RALXZJGXFQUIGS-LLVKDONJSA-N 1 2 243.376 1.090 20 30 BDEDLO C=CCCOCC(=O)Nc1cc[nH+]cc1C ZINC000593275434 347877042 /nfs/dbraw/zinc/87/70/42/347877042.db2.gz APOJWXZNPUZFTH-UHFFFAOYSA-N 1 2 220.272 1.343 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593110556 347861106 /nfs/dbraw/zinc/86/11/06/347861106.db2.gz AOXDCDFEWUQNPP-VXGBXAGGSA-N 1 2 248.330 1.889 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000593386286 347885985 /nfs/dbraw/zinc/88/59/85/347885985.db2.gz GAADVUNUJAJVDH-JTQLQIEISA-N 1 2 242.282 1.500 20 30 BDEDLO Cc1cn[nH]c1C[NH2+]CC1(C#N)CCCC1 ZINC000593654728 347922890 /nfs/dbraw/zinc/92/28/90/347922890.db2.gz LTDPJTJIJTXVDN-UHFFFAOYSA-N 1 2 218.304 1.892 20 30 BDEDLO Cc1c[nH]nc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654728 347922892 /nfs/dbraw/zinc/92/28/92/347922892.db2.gz LTDPJTJIJTXVDN-UHFFFAOYSA-N 1 2 218.304 1.892 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594025903 347991884 /nfs/dbraw/zinc/99/18/84/347991884.db2.gz AUHAZEDFAHTVTI-GFCCVEGCSA-N 1 2 208.305 1.934 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594025903 347991887 /nfs/dbraw/zinc/99/18/87/347991887.db2.gz AUHAZEDFAHTVTI-GFCCVEGCSA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@@H](O)C[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000594058889 347996707 /nfs/dbraw/zinc/99/67/07/347996707.db2.gz UHFFPEJLZAYSFV-SNVBAGLBSA-N 1 2 231.299 1.298 20 30 BDEDLO C[C@@H](O)C[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000594058889 347996710 /nfs/dbraw/zinc/99/67/10/347996710.db2.gz UHFFPEJLZAYSFV-SNVBAGLBSA-N 1 2 231.299 1.298 20 30 BDEDLO CC[C@H](C#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000594082773 348000266 /nfs/dbraw/zinc/00/02/66/348000266.db2.gz CLZQRLOVRZOVQC-WDEREUQCSA-N 1 2 234.303 1.595 20 30 BDEDLO CC(C)(NC(=O)CCCCC#N)c1[nH]cc[nH+]1 ZINC000594369048 348043135 /nfs/dbraw/zinc/04/31/35/348043135.db2.gz GRXPGWJDWGZZLL-UHFFFAOYSA-N 1 2 234.303 1.845 20 30 BDEDLO CC1(C#N)C[NH+](CC2(O)CCSCC2)C1 ZINC000594714584 348105464 /nfs/dbraw/zinc/10/54/64/348105464.db2.gz PXRPXDKVDVMPGB-UHFFFAOYSA-N 1 2 226.345 1.090 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594605465 348080466 /nfs/dbraw/zinc/08/04/66/348080466.db2.gz BAFKLPHWFRCRKT-JTQLQIEISA-N 1 2 218.304 1.469 20 30 BDEDLO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)nn1 ZINC000594980991 348164121 /nfs/dbraw/zinc/16/41/21/348164121.db2.gz DZUABVLTAWZXCP-UHFFFAOYSA-N 1 2 233.319 1.379 20 30 BDEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000389627634 538000093 /nfs/dbraw/zinc/00/00/93/538000093.db2.gz LBSJPPHCKQJAIU-BDAKNGLRSA-N 1 2 207.277 1.831 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000595401585 348239053 /nfs/dbraw/zinc/23/90/53/348239053.db2.gz FCPNBHLBLPCLKH-ZJUUUORDSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000595401585 348239054 /nfs/dbraw/zinc/23/90/54/348239054.db2.gz FCPNBHLBLPCLKH-ZJUUUORDSA-N 1 2 204.277 1.534 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000595455701 348254740 /nfs/dbraw/zinc/25/47/40/348254740.db2.gz PBSCOQZOHFVZNW-WRWGMCAJSA-N 1 2 208.280 1.970 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000595455701 348254741 /nfs/dbraw/zinc/25/47/41/348254741.db2.gz PBSCOQZOHFVZNW-WRWGMCAJSA-N 1 2 208.280 1.970 20 30 BDEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CNC(=O)C1 ZINC000595332247 348228772 /nfs/dbraw/zinc/22/87/72/348228772.db2.gz HNOIQGNYWGWABR-NSHDSACASA-N 1 2 247.298 1.131 20 30 BDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CNC(=O)C1 ZINC000595332247 348228777 /nfs/dbraw/zinc/22/87/77/348228777.db2.gz HNOIQGNYWGWABR-NSHDSACASA-N 1 2 247.298 1.131 20 30 BDEDLO C[N@@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000595347383 348236099 /nfs/dbraw/zinc/23/60/99/348236099.db2.gz TXSIHAZNSRQXNV-QMMMGPOBSA-N 1 2 204.220 1.256 20 30 BDEDLO C[N@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000595347383 348236100 /nfs/dbraw/zinc/23/61/00/348236100.db2.gz TXSIHAZNSRQXNV-QMMMGPOBSA-N 1 2 204.220 1.256 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCO[C@@H]1CC1(F)F ZINC000595501467 348264067 /nfs/dbraw/zinc/26/40/67/348264067.db2.gz KLFUVFKMFYERFA-SNVBAGLBSA-N 1 2 230.258 1.812 20 30 BDEDLO C=CC[N@H+](CCC#N)CCO[C@@H]1CC1(F)F ZINC000595501467 348264069 /nfs/dbraw/zinc/26/40/69/348264069.db2.gz KLFUVFKMFYERFA-SNVBAGLBSA-N 1 2 230.258 1.812 20 30 BDEDLO COC(=O)C1([N@H+](CCCC#N)C2CC2)CCC1 ZINC000595547242 348267723 /nfs/dbraw/zinc/26/77/23/348267723.db2.gz OKXVCVMNJSAQMJ-UHFFFAOYSA-N 1 2 236.315 1.850 20 30 BDEDLO COC(=O)C1([N@@H+](CCCC#N)C2CC2)CCC1 ZINC000595547242 348267726 /nfs/dbraw/zinc/26/77/26/348267726.db2.gz OKXVCVMNJSAQMJ-UHFFFAOYSA-N 1 2 236.315 1.850 20 30 BDEDLO Cn1c[nH+]c(CN2Cc3cccc(C#N)c3C2)c1 ZINC000595561896 348281093 /nfs/dbraw/zinc/28/10/93/348281093.db2.gz PXCGQUJLEUMQQI-UHFFFAOYSA-N 1 2 238.294 1.808 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000595615434 348289262 /nfs/dbraw/zinc/28/92/62/348289262.db2.gz QXMRTJCTECLVSX-JTQLQIEISA-N 1 2 248.282 1.471 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000595615434 348289264 /nfs/dbraw/zinc/28/92/64/348289264.db2.gz QXMRTJCTECLVSX-JTQLQIEISA-N 1 2 248.282 1.471 20 30 BDEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000595679288 348311261 /nfs/dbraw/zinc/31/12/61/348311261.db2.gz CSOSWJWBIHOGAJ-LLVKDONJSA-N 1 2 220.316 1.934 20 30 BDEDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC1(C#N)CC1 ZINC000595679288 348311263 /nfs/dbraw/zinc/31/12/63/348311263.db2.gz CSOSWJWBIHOGAJ-LLVKDONJSA-N 1 2 220.316 1.934 20 30 BDEDLO C[C@H](C#N)N(Cc1cc[nH+]c(N)c1)C1CC1 ZINC000595708984 348320268 /nfs/dbraw/zinc/32/02/68/348320268.db2.gz AUKALFNJYFWDKT-SECBINFHSA-N 1 2 216.288 1.371 20 30 BDEDLO COC(=O)C1(C[N@H+]([C@@H](C)C#N)C2CC2)CC1 ZINC000595709017 348320409 /nfs/dbraw/zinc/32/04/09/348320409.db2.gz BKLCQIQDKZGPDQ-VIFPVBQESA-N 1 2 222.288 1.316 20 30 BDEDLO COC(=O)C1(C[N@@H+]([C@@H](C)C#N)C2CC2)CC1 ZINC000595709017 348320412 /nfs/dbraw/zinc/32/04/12/348320412.db2.gz BKLCQIQDKZGPDQ-VIFPVBQESA-N 1 2 222.288 1.316 20 30 BDEDLO CC[N@H+](CCC(=O)N1CCC[C@H]1C)[C@@H](C)C#N ZINC000595813067 348352630 /nfs/dbraw/zinc/35/26/30/348352630.db2.gz JWXWYVWBUUIABP-NEPJUHHUSA-N 1 2 237.347 1.621 20 30 BDEDLO CC[N@@H+](CCC(=O)N1CCC[C@H]1C)[C@@H](C)C#N ZINC000595813067 348352635 /nfs/dbraw/zinc/35/26/35/348352635.db2.gz JWXWYVWBUUIABP-NEPJUHHUSA-N 1 2 237.347 1.621 20 30 BDEDLO C[C@@H](C#N)[N@H+](CC[C@H]1CCCO1)C1CC1 ZINC000595710366 348322522 /nfs/dbraw/zinc/32/25/22/348322522.db2.gz RADQJQHMQRYIFW-CMPLNLGQSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CC[C@H]1CCCO1)C1CC1 ZINC000595710366 348322526 /nfs/dbraw/zinc/32/25/26/348322526.db2.gz RADQJQHMQRYIFW-CMPLNLGQSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000595833317 348367684 /nfs/dbraw/zinc/36/76/84/348367684.db2.gz GMBOMWUWSJLLGM-AWEZNQCLSA-N 1 2 243.310 1.521 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000595833317 348367686 /nfs/dbraw/zinc/36/76/86/348367686.db2.gz GMBOMWUWSJLLGM-AWEZNQCLSA-N 1 2 243.310 1.521 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836369 348369909 /nfs/dbraw/zinc/36/99/09/348369909.db2.gz YRVBNMGIYNWTAC-AAEUAGOBSA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836369 348369912 /nfs/dbraw/zinc/36/99/12/348369912.db2.gz YRVBNMGIYNWTAC-AAEUAGOBSA-N 1 2 237.347 1.527 20 30 BDEDLO COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595840671 348374362 /nfs/dbraw/zinc/37/43/62/348374362.db2.gz RROOPTWXFIUSAK-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595840671 348374365 /nfs/dbraw/zinc/37/43/65/348374365.db2.gz RROOPTWXFIUSAK-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO Cc1nccc(C[N@@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595840389 348374534 /nfs/dbraw/zinc/37/45/34/348374534.db2.gz ASPGLHZKJUTJHN-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1nccc(C[N@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595840389 348374537 /nfs/dbraw/zinc/37/45/37/348374537.db2.gz ASPGLHZKJUTJHN-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595840879 348375451 /nfs/dbraw/zinc/37/54/51/348375451.db2.gz GPNUEYFSLUMWQD-VHSXEESVSA-N 1 2 230.258 1.646 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595840879 348375452 /nfs/dbraw/zinc/37/54/52/348375452.db2.gz GPNUEYFSLUMWQD-VHSXEESVSA-N 1 2 230.258 1.646 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccnc2N)C1 ZINC000595841536 348376438 /nfs/dbraw/zinc/37/64/38/348376438.db2.gz LTZBPHKGPPYSMN-LBPRGKRZSA-N 1 2 216.288 1.399 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccnc2N)C1 ZINC000595841536 348376439 /nfs/dbraw/zinc/37/64/39/348376439.db2.gz LTZBPHKGPPYSMN-LBPRGKRZSA-N 1 2 216.288 1.399 20 30 BDEDLO CC(C)(C)N1CC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595842622 348378801 /nfs/dbraw/zinc/37/88/01/348378801.db2.gz UCECTWBGPWFXMQ-RISCZKNCSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)(C)N1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595842622 348378803 /nfs/dbraw/zinc/37/88/03/348378803.db2.gz UCECTWBGPWFXMQ-RISCZKNCSA-N 1 2 249.358 1.621 20 30 BDEDLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842600 348379089 /nfs/dbraw/zinc/37/90/89/348379089.db2.gz FYRCZVAKFBBWQT-CMPLNLGQSA-N 1 2 216.288 1.773 20 30 BDEDLO C[C@@H](c1cnccn1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842600 348379090 /nfs/dbraw/zinc/37/90/90/348379090.db2.gz FYRCZVAKFBBWQT-CMPLNLGQSA-N 1 2 216.288 1.773 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000595845261 348354666 /nfs/dbraw/zinc/35/46/66/348354666.db2.gz ZKARCXQDVNFJNY-ZDUSSCGKSA-N 1 2 226.283 1.689 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000595845261 348354669 /nfs/dbraw/zinc/35/46/69/348354669.db2.gz ZKARCXQDVNFJNY-ZDUSSCGKSA-N 1 2 226.283 1.689 20 30 BDEDLO CCN(Cc1cc[nH+]c(N)c1)[C@@H](C)C#N ZINC000595819808 348360050 /nfs/dbraw/zinc/36/00/50/348360050.db2.gz FCVRLDDYWRXDOM-VIFPVBQESA-N 1 2 204.277 1.228 20 30 BDEDLO CCOCC[C@@H](O)C[N@H+](CC)[C@H](C)C#N ZINC000595820053 348360908 /nfs/dbraw/zinc/36/09/08/348360908.db2.gz INFSIFFLJPOHQO-GHMZBOCLSA-N 1 2 214.309 1.008 20 30 BDEDLO CCOCC[C@@H](O)C[N@@H+](CC)[C@H](C)C#N ZINC000595820053 348360913 /nfs/dbraw/zinc/36/09/13/348360913.db2.gz INFSIFFLJPOHQO-GHMZBOCLSA-N 1 2 214.309 1.008 20 30 BDEDLO CCOCC[C@H](O)C[N@H+](CC)[C@@H](C)C#N ZINC000595820055 348360922 /nfs/dbraw/zinc/36/09/22/348360922.db2.gz INFSIFFLJPOHQO-QWRGUYRKSA-N 1 2 214.309 1.008 20 30 BDEDLO CCOCC[C@H](O)C[N@@H+](CC)[C@@H](C)C#N ZINC000595820055 348360926 /nfs/dbraw/zinc/36/09/26/348360926.db2.gz INFSIFFLJPOHQO-QWRGUYRKSA-N 1 2 214.309 1.008 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833242 348366301 /nfs/dbraw/zinc/36/63/01/348366301.db2.gz BQVQKWUQPARLCN-CMPLNLGQSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833242 348366303 /nfs/dbraw/zinc/36/63/03/348366303.db2.gz BQVQKWUQPARLCN-CMPLNLGQSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396912684 349989729 /nfs/dbraw/zinc/98/97/29/349989729.db2.gz DVBHFKSEQDMFSI-LBPRGKRZSA-N 1 2 232.287 1.234 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396912684 349989730 /nfs/dbraw/zinc/98/97/30/349989730.db2.gz DVBHFKSEQDMFSI-LBPRGKRZSA-N 1 2 232.287 1.234 20 30 BDEDLO Cc1ccc(CCNc2c(C#N)cnn2C)c[nH+]1 ZINC000596121331 348454014 /nfs/dbraw/zinc/45/40/14/348454014.db2.gz VUVQIFNNEWBMQS-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO C=C[C@H](C)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596156550 348454268 /nfs/dbraw/zinc/45/42/68/348454268.db2.gz KGMCKXTWPJPVBN-VIFPVBQESA-N 1 2 220.272 1.784 20 30 BDEDLO Cc1c[nH+]ccc1CCNc1c(C#N)cnn1C ZINC000596174734 348461428 /nfs/dbraw/zinc/46/14/28/348461428.db2.gz NQQDZCWXVQMAQK-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO Cc1ccc(C#N)c(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000596305869 348491955 /nfs/dbraw/zinc/49/19/55/348491955.db2.gz NTHXDNQFUMDDLT-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO Cc1ccc(C#N)c(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000596305869 348491959 /nfs/dbraw/zinc/49/19/59/348491959.db2.gz NTHXDNQFUMDDLT-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO C[C@@H](CC#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000596661271 348601347 /nfs/dbraw/zinc/60/13/47/348601347.db2.gz MEFLFMZWVAVPHT-JTQLQIEISA-N 1 2 242.282 1.500 20 30 BDEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH+]ccn1C ZINC000596488174 348559758 /nfs/dbraw/zinc/55/97/58/348559758.db2.gz NUMIGAHRPAYQRA-MRVPVSSYSA-N 1 2 243.270 1.111 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597041019 348648872 /nfs/dbraw/zinc/64/88/72/348648872.db2.gz DNOVSZURBKHRRB-WDEREUQCSA-N 1 2 246.314 1.254 20 30 BDEDLO CC(C)n1cc[nH+]c1CNC[C@H](C)C#N ZINC000597082920 348658819 /nfs/dbraw/zinc/65/88/19/348658819.db2.gz OEHAJQPEGMXYGT-SNVBAGLBSA-N 1 2 206.293 1.713 20 30 BDEDLO COC(=O)c1oc(C[NH2+]CC2(C#N)CC2)cc1C ZINC000597121446 348663763 /nfs/dbraw/zinc/66/37/63/348663763.db2.gz PUEGYNGFDVCBHW-UHFFFAOYSA-N 1 2 248.282 1.768 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc3n(n2)CCC3)CCC1 ZINC000597153390 348665390 /nfs/dbraw/zinc/66/53/90/348665390.db2.gz JWNGJLIFARXLSD-UHFFFAOYSA-N 1 2 230.315 1.613 20 30 BDEDLO C=CCC[C@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000268522090 166304030 /nfs/dbraw/zinc/30/40/30/166304030.db2.gz GBSLKBYBUDAOCN-JTQLQIEISA-N 1 2 239.319 1.530 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596893541 348630070 /nfs/dbraw/zinc/63/00/70/348630070.db2.gz HZHDXBWGIJEEKI-UWVGGRQHSA-N 1 2 246.314 1.133 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596893541 348630071 /nfs/dbraw/zinc/63/00/71/348630071.db2.gz HZHDXBWGIJEEKI-UWVGGRQHSA-N 1 2 246.314 1.133 20 30 BDEDLO C[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1[nH+]ccn1C ZINC000596932868 348635227 /nfs/dbraw/zinc/63/52/27/348635227.db2.gz SOOAUODNLTZIAZ-NXEZZACHSA-N 1 2 249.318 1.282 20 30 BDEDLO N#CCC[N@@H+](Cc1cnn2c1CCC2)CC1CC1 ZINC000596995578 348640048 /nfs/dbraw/zinc/64/00/48/348640048.db2.gz KIXFYYUMTSJVID-UHFFFAOYSA-N 1 2 244.342 1.955 20 30 BDEDLO N#CCC[N@H+](Cc1cnn2c1CCC2)CC1CC1 ZINC000596995578 348640051 /nfs/dbraw/zinc/64/00/51/348640051.db2.gz KIXFYYUMTSJVID-UHFFFAOYSA-N 1 2 244.342 1.955 20 30 BDEDLO Cc1[nH+]cc(CN2CCC[C@H](CC#N)C2)n1C ZINC000597175616 348669611 /nfs/dbraw/zinc/66/96/11/348669611.db2.gz BUAXGQFBIRPLJL-GFCCVEGCSA-N 1 2 232.331 1.854 20 30 BDEDLO C[C@H](CNC(=O)[C@@H](C)CC#N)Cn1cc[nH+]c1 ZINC000597282822 348712645 /nfs/dbraw/zinc/71/26/45/348712645.db2.gz SUJSDFVPCUEMSO-MNOVXSKESA-N 1 2 234.303 1.185 20 30 BDEDLO N#CCC1C[NH+](Cc2cnn3c2CCC3)C1 ZINC000597202755 348676188 /nfs/dbraw/zinc/67/61/88/348676188.db2.gz BUKVYZWGQGLIJM-UHFFFAOYSA-N 1 2 216.288 1.175 20 30 BDEDLO N#CCC1C[NH+](Cc2cn3cccnc3n2)C1 ZINC000597204481 348678304 /nfs/dbraw/zinc/67/83/04/348678304.db2.gz XESUVTSQOAOYEC-UHFFFAOYSA-N 1 2 227.271 1.075 20 30 BDEDLO Cn1ncc(C2CC2)c1C[NH+]1CC(CC#N)C1 ZINC000597204544 348678600 /nfs/dbraw/zinc/67/86/00/348678600.db2.gz ZYMPXPDGYDAZTG-UHFFFAOYSA-N 1 2 230.315 1.643 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597189274 348685792 /nfs/dbraw/zinc/68/57/92/348685792.db2.gz SLICHYJDBHXRJQ-JOYOIKCWSA-N 1 2 246.314 1.179 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597189274 348685793 /nfs/dbraw/zinc/68/57/93/348685793.db2.gz SLICHYJDBHXRJQ-JOYOIKCWSA-N 1 2 246.314 1.179 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(CO)o2)C1 ZINC000597229225 348696933 /nfs/dbraw/zinc/69/69/33/348696933.db2.gz JVJXBTAVQHWOTD-LBPRGKRZSA-N 1 2 220.272 1.507 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000597229225 348696935 /nfs/dbraw/zinc/69/69/35/348696935.db2.gz JVJXBTAVQHWOTD-LBPRGKRZSA-N 1 2 220.272 1.507 20 30 BDEDLO C=Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597232369 348699802 /nfs/dbraw/zinc/69/98/02/348699802.db2.gz TZJVUKTVVGMVON-LBPRGKRZSA-N 1 2 216.288 1.719 20 30 BDEDLO C=Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597232369 348699806 /nfs/dbraw/zinc/69/98/06/348699806.db2.gz TZJVUKTVVGMVON-LBPRGKRZSA-N 1 2 216.288 1.719 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccc(C#N)cn1 ZINC000308822171 348711819 /nfs/dbraw/zinc/71/18/19/348711819.db2.gz CJFCQXVIQFFYIO-SECBINFHSA-N 1 2 200.245 1.345 20 30 BDEDLO Cn1nccc1C[N@H+](C)CC(C)(C)C#N ZINC000354018177 348796337 /nfs/dbraw/zinc/79/63/37/348796337.db2.gz ONDSQVHGYTWTNO-UHFFFAOYSA-N 1 2 206.293 1.402 20 30 BDEDLO Cn1nccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354018177 348796339 /nfs/dbraw/zinc/79/63/39/348796339.db2.gz ONDSQVHGYTWTNO-UHFFFAOYSA-N 1 2 206.293 1.402 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597507357 348746832 /nfs/dbraw/zinc/74/68/32/348746832.db2.gz JGNGXJGYRYFMBX-UWVGGRQHSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597507357 348746835 /nfs/dbraw/zinc/74/68/35/348746835.db2.gz JGNGXJGYRYFMBX-UWVGGRQHSA-N 1 2 246.314 1.323 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)CC#N ZINC000597734818 348800027 /nfs/dbraw/zinc/80/00/27/348800027.db2.gz DQBSGKPNCJCSPU-ZJUUUORDSA-N 1 2 234.303 1.630 20 30 BDEDLO COc1cccc(C[NH2+]C[C@@H](C)C#N)c1OC ZINC000054179357 348891004 /nfs/dbraw/zinc/89/10/04/348891004.db2.gz FNYNMCHPDZLWSX-JTQLQIEISA-N 1 2 234.299 1.953 20 30 BDEDLO C[C@H](CC(=O)N1CC(CC#N)C1)n1cc[nH+]c1 ZINC000598025394 348863549 /nfs/dbraw/zinc/86/35/49/348863549.db2.gz LQBTXLNKWSVFAZ-SNVBAGLBSA-N 1 2 232.287 1.206 20 30 BDEDLO C[C@@H](CC(=O)N1CC(CC#N)C1)n1cc[nH+]c1 ZINC000598025392 348863712 /nfs/dbraw/zinc/86/37/12/348863712.db2.gz LQBTXLNKWSVFAZ-JTQLQIEISA-N 1 2 232.287 1.206 20 30 BDEDLO C[C@H](C#N)N(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000598136717 348904296 /nfs/dbraw/zinc/90/42/96/348904296.db2.gz JEEJCVASGQNPCD-WDEREUQCSA-N 1 2 246.314 1.737 20 30 BDEDLO C[C@H](CC(=O)N([C@@H](C)C#N)C1CC1)n1cc[nH+]c1 ZINC000598136713 348904303 /nfs/dbraw/zinc/90/43/03/348904303.db2.gz JEEJCVASGQNPCD-MNOVXSKESA-N 1 2 246.314 1.737 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](C)C#N ZINC000598363914 348949844 /nfs/dbraw/zinc/94/98/44/348949844.db2.gz WMUISFIKLYXSBT-WDEREUQCSA-N 1 2 246.314 1.206 20 30 BDEDLO C[C@@]1(C#N)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000598419099 348972589 /nfs/dbraw/zinc/97/25/89/348972589.db2.gz YIEYGSQTPQHPNW-LBPRGKRZSA-N 1 2 232.287 1.104 20 30 BDEDLO Cc1ccoc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598836278 349052481 /nfs/dbraw/zinc/05/24/81/349052481.db2.gz FJHGVWQKQMSGTB-ZDUSSCGKSA-N 1 2 249.314 1.091 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC1(C)C ZINC000598836454 349052656 /nfs/dbraw/zinc/05/26/56/349052656.db2.gz JNFSMUZDELRRCW-GXFFZTMASA-N 1 2 237.347 1.383 20 30 BDEDLO CCOc1cncc(C[NH+]2CC(CC#N)C2)c1 ZINC000598672531 349019740 /nfs/dbraw/zinc/01/97/40/349019740.db2.gz AMNVJLSQFRJEMH-UHFFFAOYSA-N 1 2 231.299 1.826 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1nccnc1C ZINC000598674819 349019801 /nfs/dbraw/zinc/01/98/01/349019801.db2.gz VIZIKGGRCGGDBA-JTQLQIEISA-N 1 2 204.277 1.567 20 30 BDEDLO Cc1cc(N(C)CC2(C)COC2)c(C#N)c[nH+]1 ZINC000599145082 349104869 /nfs/dbraw/zinc/10/48/69/349104869.db2.gz ONMDKDDUWJXUKL-UHFFFAOYSA-N 1 2 231.299 1.734 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCC#N)CC2 ZINC000599151154 349106459 /nfs/dbraw/zinc/10/64/59/349106459.db2.gz LSPQDVPAUYXOEO-NSHDSACASA-N 1 2 246.314 1.126 20 30 BDEDLO C=CC[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000307004293 349147335 /nfs/dbraw/zinc/14/73/35/349147335.db2.gz CSPIWOCFOWWXSL-OUJBWJOFSA-N 1 2 201.335 1.404 20 30 BDEDLO C=CC[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000307004293 349147337 /nfs/dbraw/zinc/14/73/37/349147337.db2.gz CSPIWOCFOWWXSL-OUJBWJOFSA-N 1 2 201.335 1.404 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C(=O)OC)cn1 ZINC000599437316 349176901 /nfs/dbraw/zinc/17/69/01/349176901.db2.gz NUJKNXQSDJRBTC-VIFPVBQESA-N 1 2 248.286 1.045 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1(F)CCC1)C(=O)OC ZINC000308948300 349179800 /nfs/dbraw/zinc/17/98/00/349179800.db2.gz OKZWBFKZNWWTCH-SECBINFHSA-N 1 2 215.268 1.586 20 30 BDEDLO CC#CC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273089167 192390531 /nfs/dbraw/zinc/39/05/31/192390531.db2.gz JIICRYUJWKWBFD-LLVKDONJSA-N 1 2 225.238 1.611 20 30 BDEDLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1C#N ZINC000599432823 349173285 /nfs/dbraw/zinc/17/32/85/349173285.db2.gz DSQVACPEMQUAGP-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1C#N ZINC000599432823 349173288 /nfs/dbraw/zinc/17/32/88/349173288.db2.gz DSQVACPEMQUAGP-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CCOC)CC1 ZINC000599505977 349212921 /nfs/dbraw/zinc/21/29/21/349212921.db2.gz GIYKKPFYVGHNRE-LBPRGKRZSA-N 1 2 241.331 1.463 20 30 BDEDLO COc1cncc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000599469178 349193373 /nfs/dbraw/zinc/19/33/73/349193373.db2.gz LOIJARBYOPNYMR-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO COc1cncc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000599469178 349193378 /nfs/dbraw/zinc/19/33/78/349193378.db2.gz LOIJARBYOPNYMR-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO CC(C)(C#N)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951145 349273999 /nfs/dbraw/zinc/27/39/99/349273999.db2.gz AFOVVPNLCNAFLY-UHFFFAOYSA-N 1 2 232.287 1.234 20 30 BDEDLO CC(C)(C#N)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951145 349274001 /nfs/dbraw/zinc/27/40/01/349274001.db2.gz AFOVVPNLCNAFLY-UHFFFAOYSA-N 1 2 232.287 1.234 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000601617669 349307777 /nfs/dbraw/zinc/30/77/77/349307777.db2.gz OUFNQHRICMISRU-VHSXEESVSA-N 1 2 247.302 1.243 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CCCC12CC2)C(=O)OC ZINC000601934240 349387357 /nfs/dbraw/zinc/38/73/57/349387357.db2.gz LFLFHQAWIZHKFB-NXEZZACHSA-N 1 2 209.289 1.636 20 30 BDEDLO CC(C)C[C@@H](C(=O)N[C@@H](C)C#N)n1cc[nH+]c1 ZINC000602083909 349431722 /nfs/dbraw/zinc/43/17/22/349431722.db2.gz GDFYJMPICSTPBB-QWRGUYRKSA-N 1 2 234.303 1.499 20 30 BDEDLO Cc1nc(NC[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000291574109 180018874 /nfs/dbraw/zinc/01/88/74/180018874.db2.gz FGQDCTLEYZKINL-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1nc(NC[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000291574109 180018876 /nfs/dbraw/zinc/01/88/76/180018876.db2.gz FGQDCTLEYZKINL-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO CC[C@H](C[N@@H+](CCC#N)CCOC)OC ZINC000397117730 350092490 /nfs/dbraw/zinc/09/24/90/350092490.db2.gz WSXPMFVJTSFHAG-LLVKDONJSA-N 1 2 214.309 1.273 20 30 BDEDLO CC[C@H](C[N@H+](CCC#N)CCOC)OC ZINC000397117730 350092492 /nfs/dbraw/zinc/09/24/92/350092492.db2.gz WSXPMFVJTSFHAG-LLVKDONJSA-N 1 2 214.309 1.273 20 30 BDEDLO CC[N@@H+](Cc1cc(C)ncn1)C[C@H](C)C#N ZINC000428423309 191054655 /nfs/dbraw/zinc/05/46/55/191054655.db2.gz OGKNMYPKZYEEBR-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1cc(C)ncn1)C[C@H](C)C#N ZINC000428423309 191054657 /nfs/dbraw/zinc/05/46/57/191054657.db2.gz OGKNMYPKZYEEBR-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C#N)c1 ZINC000336539049 180120256 /nfs/dbraw/zinc/12/02/56/180120256.db2.gz DANJIABRTAQLRZ-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637118711 350205794 /nfs/dbraw/zinc/20/57/94/350205794.db2.gz AVRLWWXBLAXZOH-MNOVXSKESA-N 1 2 248.330 1.462 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000365583624 350354969 /nfs/dbraw/zinc/35/49/69/350354969.db2.gz ABQPXZCZUDJSKS-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@]1(C#N)CC1(C)C ZINC000427881873 191098680 /nfs/dbraw/zinc/09/86/80/191098680.db2.gz KEUFGROFNZYKBD-ZDUSSCGKSA-N 1 2 246.314 1.161 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427998269 191105804 /nfs/dbraw/zinc/10/58/04/191105804.db2.gz VDCYPUQUBVWDGF-NEPJUHHUSA-N 1 2 247.342 1.916 20 30 BDEDLO N#Cc1csc(C[NH2+]CC(F)F)c1 ZINC000147364612 191106316 /nfs/dbraw/zinc/10/63/16/191106316.db2.gz UWYJNRJHUFWDCN-UHFFFAOYSA-N 1 2 202.229 1.974 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902444 350627077 /nfs/dbraw/zinc/62/70/77/350627077.db2.gz YVAIAYUZIADCSJ-MRVPVSSYSA-N 1 2 209.211 1.826 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902444 350627080 /nfs/dbraw/zinc/62/70/80/350627080.db2.gz YVAIAYUZIADCSJ-MRVPVSSYSA-N 1 2 209.211 1.826 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCc1cnccn1 ZINC000271231865 362977040 /nfs/dbraw/zinc/97/70/40/362977040.db2.gz AJKTYNLGOOLGIC-SNVBAGLBSA-N 1 2 204.277 1.253 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCc1cnccn1 ZINC000271231865 362977050 /nfs/dbraw/zinc/97/70/50/362977050.db2.gz AJKTYNLGOOLGIC-SNVBAGLBSA-N 1 2 204.277 1.253 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397595486 350950791 /nfs/dbraw/zinc/95/07/91/350950791.db2.gz DIFPHUVVFLHHSP-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397595486 350950795 /nfs/dbraw/zinc/95/07/95/350950795.db2.gz DIFPHUVVFLHHSP-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572852667 351076789 /nfs/dbraw/zinc/07/67/89/351076789.db2.gz JTBWWXREDRDEGU-JTQLQIEISA-N 1 2 246.314 1.841 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+](C)C[C@H](C)C#N)n1 ZINC000271112516 351401077 /nfs/dbraw/zinc/40/10/77/351401077.db2.gz CCJWXVAUMGZLBR-SECBINFHSA-N 1 2 219.288 1.687 20 30 BDEDLO Cc1ccc(O)c(C[N@H+](C)C[C@H](C)C#N)n1 ZINC000271112516 351401083 /nfs/dbraw/zinc/40/10/83/351401083.db2.gz CCJWXVAUMGZLBR-SECBINFHSA-N 1 2 219.288 1.687 20 30 BDEDLO N#Cc1ccnc(NCCCCn2cc[nH+]c2)n1 ZINC000231900000 351438996 /nfs/dbraw/zinc/43/89/96/351438996.db2.gz BACPJCGZZVFIIP-UHFFFAOYSA-N 1 2 242.286 1.437 20 30 BDEDLO C[C@H]1CCN(CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000271306404 351411621 /nfs/dbraw/zinc/41/16/21/351411621.db2.gz QBWUXBOVGNJQIA-NWDGAFQWSA-N 1 2 218.304 1.680 20 30 BDEDLO N#CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000273990031 351555756 /nfs/dbraw/zinc/55/57/56/351555756.db2.gz IQCOXHJMRWGKTK-UHFFFAOYSA-N 1 2 244.298 1.212 20 30 BDEDLO N#CCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000276815357 351653052 /nfs/dbraw/zinc/65/30/52/351653052.db2.gz NSQXTXLKHHOWIA-UHFFFAOYSA-N 1 2 249.289 1.978 20 30 BDEDLO CC[N@@H+](Cc1ncccc1O)C[C@H](C)C#N ZINC000577799358 366061942 /nfs/dbraw/zinc/06/19/42/366061942.db2.gz ATVYIBFNPIMGKZ-SNVBAGLBSA-N 1 2 219.288 1.769 20 30 BDEDLO CC[N@H+](Cc1ncccc1O)C[C@H](C)C#N ZINC000577799358 366061948 /nfs/dbraw/zinc/06/19/48/366061948.db2.gz ATVYIBFNPIMGKZ-SNVBAGLBSA-N 1 2 219.288 1.769 20 30 BDEDLO N#CCCCNc1nc[nH+]c(N)c1Cl ZINC000277956729 351739192 /nfs/dbraw/zinc/73/91/92/351739192.db2.gz YARVADYKQRDOAY-UHFFFAOYSA-N 1 2 211.656 1.428 20 30 BDEDLO N#CCCCNc1[nH+]cnc(N)c1Cl ZINC000277956729 351739197 /nfs/dbraw/zinc/73/91/97/351739197.db2.gz YARVADYKQRDOAY-UHFFFAOYSA-N 1 2 211.656 1.428 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ncn(C)n1 ZINC000278810324 351785903 /nfs/dbraw/zinc/78/59/03/351785903.db2.gz RWZVXVAKJDSXJF-GARJFASQSA-N 1 2 233.319 1.548 20 30 BDEDLO CCCN(CC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC000279158336 351799147 /nfs/dbraw/zinc/79/91/47/351799147.db2.gz FZHDZQQNTIGRCI-UHFFFAOYSA-N 1 2 220.276 1.104 20 30 BDEDLO CC1(C#N)C[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000280996454 351869710 /nfs/dbraw/zinc/86/97/10/351869710.db2.gz MHDKGPBZPBYLCC-AWEZNQCLSA-N 1 2 244.338 1.826 20 30 BDEDLO NC(=[NH+]OCc1ccc(F)cn1)[C@@H]1CCCO1 ZINC000284484719 351998091 /nfs/dbraw/zinc/99/80/91/351998091.db2.gz SBLNSAAEKZPWRD-JTQLQIEISA-N 1 2 239.250 1.189 20 30 BDEDLO Cc1nc(CO[NH+]=C(N)[C@H]2CCCO2)oc1C ZINC000284504783 351998761 /nfs/dbraw/zinc/99/87/61/351998761.db2.gz TTYGQGBYJIWUDK-SECBINFHSA-N 1 2 239.275 1.259 20 30 BDEDLO NC(=[NH+]OCc1ccccc1F)[C@H]1CCCO1 ZINC000284554971 351999754 /nfs/dbraw/zinc/99/97/54/351999754.db2.gz WBITXJRUCNVWGM-LLVKDONJSA-N 1 2 238.262 1.794 20 30 BDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCCC#N)C1 ZINC000284716836 352003973 /nfs/dbraw/zinc/00/39/73/352003973.db2.gz VKRSBSXLOHXJDR-MNOVXSKESA-N 1 2 249.318 1.179 20 30 BDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCCC#N)C1 ZINC000284716836 352003974 /nfs/dbraw/zinc/00/39/74/352003974.db2.gz VKRSBSXLOHXJDR-MNOVXSKESA-N 1 2 249.318 1.179 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)OC(C)C ZINC000292332415 352315133 /nfs/dbraw/zinc/31/51/33/352315133.db2.gz WKNGEPSYADMKNS-UHFFFAOYSA-N 1 2 224.304 1.730 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)OC(C)C ZINC000292332415 352315135 /nfs/dbraw/zinc/31/51/35/352315135.db2.gz WKNGEPSYADMKNS-UHFFFAOYSA-N 1 2 224.304 1.730 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1CCCCO1 ZINC000300941885 363177277 /nfs/dbraw/zinc/17/72/77/363177277.db2.gz DRLIETQRFGGSTL-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CCCCO1 ZINC000300941885 363177279 /nfs/dbraw/zinc/17/72/79/363177279.db2.gz DRLIETQRFGGSTL-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C[C@H](CCC#N)[N@H+](C)CC(=O)OC(C)(C)C ZINC000411228700 191170386 /nfs/dbraw/zinc/17/03/86/191170386.db2.gz PJDXHFHZRROUMJ-SNVBAGLBSA-N 1 2 226.320 1.952 20 30 BDEDLO C[C@H](CCC#N)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000411228700 191170388 /nfs/dbraw/zinc/17/03/88/191170388.db2.gz PJDXHFHZRROUMJ-SNVBAGLBSA-N 1 2 226.320 1.952 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](CC=C)CCC#N ZINC000292220114 352308498 /nfs/dbraw/zinc/30/84/98/352308498.db2.gz OZMRKSJZAHOPQY-GFCCVEGCSA-N 1 2 208.305 1.715 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](CC=C)CCC#N ZINC000292220114 352308502 /nfs/dbraw/zinc/30/85/02/352308502.db2.gz OZMRKSJZAHOPQY-GFCCVEGCSA-N 1 2 208.305 1.715 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000086559074 352331419 /nfs/dbraw/zinc/33/14/19/352331419.db2.gz CNENYVIEFYUCFS-UHFFFAOYSA-N 1 2 218.285 1.633 20 30 BDEDLO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)C[C@@H](C)[S@]1=O ZINC000411716433 191206122 /nfs/dbraw/zinc/20/61/22/191206122.db2.gz FYMWHBCTYGGTRE-DSZLRUIBSA-N 1 2 242.388 1.910 20 30 BDEDLO CC[C@@H]1C[N@H+]([C@H](C)CCC#N)C[C@@H](C)[S@]1=O ZINC000411716433 191206125 /nfs/dbraw/zinc/20/61/25/191206125.db2.gz FYMWHBCTYGGTRE-DSZLRUIBSA-N 1 2 242.388 1.910 20 30 BDEDLO C#CC(C)(C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000265022406 187913553 /nfs/dbraw/zinc/91/35/53/187913553.db2.gz JFWNRFSATFVMAY-UHFFFAOYSA-N 1 2 241.294 1.405 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)CC1 ZINC000334281364 352921977 /nfs/dbraw/zinc/92/19/77/352921977.db2.gz XCEFGZAIABGOIZ-SNVBAGLBSA-N 1 2 248.248 1.679 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)CC1 ZINC000334281364 352921979 /nfs/dbraw/zinc/92/19/79/352921979.db2.gz XCEFGZAIABGOIZ-SNVBAGLBSA-N 1 2 248.248 1.679 20 30 BDEDLO C[C@H](O)[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000412096046 191260475 /nfs/dbraw/zinc/26/04/75/191260475.db2.gz SHORCLQBEZWABN-ZFWWWQNUSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@H](O)[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000412096046 191260478 /nfs/dbraw/zinc/26/04/78/191260478.db2.gz SHORCLQBEZWABN-ZFWWWQNUSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@@H]1[N@H+](CC2(C#N)CC2)CCOC1(C)C ZINC000334322158 352959537 /nfs/dbraw/zinc/95/95/37/352959537.db2.gz IQLWMWXSWNNVIO-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1[N@@H+](CC2(C#N)CC2)CCOC1(C)C ZINC000334322158 352959538 /nfs/dbraw/zinc/95/95/38/352959538.db2.gz IQLWMWXSWNNVIO-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(C(C)(C)C)nn1 ZINC000276729398 188029553 /nfs/dbraw/zinc/02/95/53/188029553.db2.gz GUQUCRUFBJBVAC-UHFFFAOYSA-N 1 2 220.320 1.488 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(C(C)(C)C)nn1 ZINC000276729398 188029555 /nfs/dbraw/zinc/02/95/55/188029555.db2.gz GUQUCRUFBJBVAC-UHFFFAOYSA-N 1 2 220.320 1.488 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)o1 ZINC000281200578 188032259 /nfs/dbraw/zinc/03/22/59/188032259.db2.gz SVUUXCFIXSZLKT-OLZOCXBDSA-N 1 2 232.283 1.905 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)o1 ZINC000281200578 188032261 /nfs/dbraw/zinc/03/22/61/188032261.db2.gz SVUUXCFIXSZLKT-OLZOCXBDSA-N 1 2 232.283 1.905 20 30 BDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccno2)CC1 ZINC000609538699 353167388 /nfs/dbraw/zinc/16/73/88/353167388.db2.gz NDXBXAVGXLCGIY-ZDUSSCGKSA-N 1 2 248.330 1.340 20 30 BDEDLO COc1ccnc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000330833820 353185014 /nfs/dbraw/zinc/18/50/14/353185014.db2.gz KQMSIIPEZLULEA-GWCFXTLKSA-N 1 2 231.299 1.872 20 30 BDEDLO C=CCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000330887174 353191848 /nfs/dbraw/zinc/19/18/48/353191848.db2.gz GZEIYUDPDGEDDH-SNVBAGLBSA-N 1 2 222.292 1.063 20 30 BDEDLO C=CCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000330887174 353191851 /nfs/dbraw/zinc/19/18/51/353191851.db2.gz GZEIYUDPDGEDDH-SNVBAGLBSA-N 1 2 222.292 1.063 20 30 BDEDLO C=CCC[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000330887174 353191852 /nfs/dbraw/zinc/19/18/52/353191852.db2.gz GZEIYUDPDGEDDH-SNVBAGLBSA-N 1 2 222.292 1.063 20 30 BDEDLO C=CCC[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000330887174 353191855 /nfs/dbraw/zinc/19/18/55/353191855.db2.gz GZEIYUDPDGEDDH-SNVBAGLBSA-N 1 2 222.292 1.063 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000330976663 353208609 /nfs/dbraw/zinc/20/86/09/353208609.db2.gz HOLVAYSVZNJNLQ-VIFPVBQESA-N 1 2 220.276 1.103 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@@](C)(CO)C(C)C)c[nH+]1 ZINC000331218432 353231533 /nfs/dbraw/zinc/23/15/33/353231533.db2.gz XDVVOECYRJUIFR-NSHDSACASA-N 1 2 225.292 1.430 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cnccn1 ZINC000070025831 353253532 /nfs/dbraw/zinc/25/35/32/353253532.db2.gz UDGSIHIQFJRQTD-HBNTYKKESA-N 1 2 216.288 1.819 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000128120623 353279159 /nfs/dbraw/zinc/27/91/59/353279159.db2.gz MSDQHHFMLYWYJQ-NSHDSACASA-N 1 2 233.315 1.377 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000128120623 353279160 /nfs/dbraw/zinc/27/91/60/353279160.db2.gz MSDQHHFMLYWYJQ-NSHDSACASA-N 1 2 233.315 1.377 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)Nc1nncs1 ZINC000072938937 353283617 /nfs/dbraw/zinc/28/36/17/353283617.db2.gz RKGGUUSNZXAYLF-UHFFFAOYSA-N 1 2 238.316 1.151 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000072907075 353283817 /nfs/dbraw/zinc/28/38/17/353283817.db2.gz ZDNOOXFWVCHEGH-CQSZACIVSA-N 1 2 248.370 1.448 20 30 BDEDLO C=CC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000289990832 353296762 /nfs/dbraw/zinc/29/67/62/353296762.db2.gz SIIPGPLRVUZAAJ-VIFPVBQESA-N 1 2 225.292 1.831 20 30 BDEDLO COCC#CC[NH2+][C@H](C)c1nnc(C)s1 ZINC000308902479 491050187 /nfs/dbraw/zinc/05/01/87/491050187.db2.gz BRDZKAFMUCTDNO-MRVPVSSYSA-N 1 2 225.317 1.147 20 30 BDEDLO C#CCC[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000281079770 353427752 /nfs/dbraw/zinc/42/77/52/353427752.db2.gz VGPMJRIRUKMNHE-AWEZNQCLSA-N 1 2 245.322 1.692 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)CCc1c[nH+]cn1C ZINC000281193743 353437127 /nfs/dbraw/zinc/43/71/27/353437127.db2.gz AAGFAEHYNQDZCJ-LLVKDONJSA-N 1 2 235.331 1.824 20 30 BDEDLO C=C1CC[NH+](Cc2ccc(OC)nn2)CC1 ZINC000283088433 353495464 /nfs/dbraw/zinc/49/54/64/353495464.db2.gz LBWBUOMTKCAMKO-UHFFFAOYSA-N 1 2 219.288 1.637 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)nn(CC)c1C ZINC000093461442 353487453 /nfs/dbraw/zinc/48/74/53/353487453.db2.gz JUAPQJHCHUZMRF-UHFFFAOYSA-N 1 2 229.327 1.588 20 30 BDEDLO CC#CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000283199618 353492619 /nfs/dbraw/zinc/49/26/19/353492619.db2.gz MOELVWLRGTZUAM-RYUDHWBXSA-N 1 2 231.299 1.316 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(C(C)(C)C)nc1 ZINC000284344777 353511676 /nfs/dbraw/zinc/51/16/76/353511676.db2.gz LXBZCFKMWRZNJT-UHFFFAOYSA-N 1 2 241.338 1.843 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1oncc1C(=O)OC ZINC000285275778 353532385 /nfs/dbraw/zinc/53/23/85/353532385.db2.gz JZURTKJBCNLHMI-UHFFFAOYSA-N 1 2 236.271 1.305 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1oncc1C(=O)OC ZINC000285275778 353532389 /nfs/dbraw/zinc/53/23/89/353532389.db2.gz JZURTKJBCNLHMI-UHFFFAOYSA-N 1 2 236.271 1.305 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000192218934 353536495 /nfs/dbraw/zinc/53/64/95/353536495.db2.gz FLAASRPHELUXRL-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000192218934 353536498 /nfs/dbraw/zinc/53/64/98/353536498.db2.gz FLAASRPHELUXRL-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000192218712 353536780 /nfs/dbraw/zinc/53/67/80/353536780.db2.gz ITKNRRMOUHXHSB-UHFFFAOYSA-N 1 2 248.301 1.349 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000192218712 353536783 /nfs/dbraw/zinc/53/67/83/353536783.db2.gz ITKNRRMOUHXHSB-UHFFFAOYSA-N 1 2 248.301 1.349 20 30 BDEDLO C#CC[N@@H+](CC(=O)NC1CC1)Cc1ccccc1 ZINC000285505977 353544892 /nfs/dbraw/zinc/54/48/92/353544892.db2.gz DDUSJGOXPGSDNL-UHFFFAOYSA-N 1 2 242.322 1.400 20 30 BDEDLO C#CC[N@H+](CC(=O)NC1CC1)Cc1ccccc1 ZINC000285505977 353544894 /nfs/dbraw/zinc/54/48/94/353544894.db2.gz DDUSJGOXPGSDNL-UHFFFAOYSA-N 1 2 242.322 1.400 20 30 BDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccccc1 ZINC000192175125 353546466 /nfs/dbraw/zinc/54/64/66/353546466.db2.gz JQFUJNTWACQCPF-GUYCJALGSA-N 1 2 249.379 1.737 20 30 BDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccccc1 ZINC000192175125 353546467 /nfs/dbraw/zinc/54/64/67/353546467.db2.gz JQFUJNTWACQCPF-GUYCJALGSA-N 1 2 249.379 1.737 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)C ZINC000288283221 353597502 /nfs/dbraw/zinc/59/75/02/353597502.db2.gz QKVBTFMMOMHPFT-SNVBAGLBSA-N 1 2 233.315 1.506 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)Cc1cnn(C)n1 ZINC000289487981 353629597 /nfs/dbraw/zinc/62/95/97/353629597.db2.gz JBPXMESJUVJDEY-UHFFFAOYSA-N 1 2 246.314 1.639 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)Cc1cnn(C)n1 ZINC000289487981 353629606 /nfs/dbraw/zinc/62/96/06/353629606.db2.gz JBPXMESJUVJDEY-UHFFFAOYSA-N 1 2 246.314 1.639 20 30 BDEDLO CC#CC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184661994 353695883 /nfs/dbraw/zinc/69/58/83/353695883.db2.gz WSHNSCIMTWQGKO-GFCCVEGCSA-N 1 2 249.383 1.845 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(C(=O)OC)co1 ZINC000293112367 353734041 /nfs/dbraw/zinc/73/40/41/353734041.db2.gz LSZVIVSWYWCVIU-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(C(=O)OC)co1 ZINC000293112367 353734046 /nfs/dbraw/zinc/73/40/46/353734046.db2.gz LSZVIVSWYWCVIU-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000292279437 353708153 /nfs/dbraw/zinc/70/81/53/353708153.db2.gz LKSMHJMNIWADJS-LLVKDONJSA-N 1 2 236.315 1.711 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000292279437 353708156 /nfs/dbraw/zinc/70/81/56/353708156.db2.gz LKSMHJMNIWADJS-LLVKDONJSA-N 1 2 236.315 1.711 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](CC)CC1 ZINC000292787992 353724986 /nfs/dbraw/zinc/72/49/86/353724986.db2.gz VEOOTUBYOHHRMK-UHFFFAOYSA-N 1 2 232.274 1.362 20 30 BDEDLO CC#CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000294282731 353773485 /nfs/dbraw/zinc/77/34/85/353773485.db2.gz XTWJBMSIRFYDQQ-UHFFFAOYSA-N 1 2 201.273 1.814 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000293039264 353736099 /nfs/dbraw/zinc/73/60/99/353736099.db2.gz GWSHXOUOIHWIJS-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000293039264 353736102 /nfs/dbraw/zinc/73/61/02/353736102.db2.gz GWSHXOUOIHWIJS-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295120233 353801323 /nfs/dbraw/zinc/80/13/23/353801323.db2.gz IRKRAMHNBCUXMG-LLVKDONJSA-N 1 2 233.315 1.204 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295120233 353801325 /nfs/dbraw/zinc/80/13/25/353801325.db2.gz IRKRAMHNBCUXMG-LLVKDONJSA-N 1 2 233.315 1.204 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295556531 353808557 /nfs/dbraw/zinc/80/85/57/353808557.db2.gz KSFGWCXXQLRWIF-JTQLQIEISA-N 1 2 246.738 1.902 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295556531 353808558 /nfs/dbraw/zinc/80/85/58/353808558.db2.gz KSFGWCXXQLRWIF-JTQLQIEISA-N 1 2 246.738 1.902 20 30 BDEDLO C=C(C)CNC(=O)NCc1[nH+]ccn1CC ZINC000296926680 353837113 /nfs/dbraw/zinc/83/71/13/353837113.db2.gz QCBLIRNKTOASSK-UHFFFAOYSA-N 1 2 222.292 1.278 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1c(F)ccc(O)c1F ZINC000294804347 353789315 /nfs/dbraw/zinc/78/93/15/353789315.db2.gz WDEWGEQDUGKTOK-SSDOTTSWSA-N 1 2 211.211 1.782 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000343768304 353981611 /nfs/dbraw/zinc/98/16/11/353981611.db2.gz OIIYVFXEWAMGAO-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000343768304 353981615 /nfs/dbraw/zinc/98/16/15/353981615.db2.gz OIIYVFXEWAMGAO-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO CC1CCC(O)(C[NH+]2CC(C)(C#N)C2)CC1 ZINC000334557907 354005179 /nfs/dbraw/zinc/00/51/79/354005179.db2.gz QISOJLVQFNBVHV-UHFFFAOYSA-N 1 2 222.332 1.773 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000301019326 363296766 /nfs/dbraw/zinc/29/67/66/363296766.db2.gz JJXCNYCBUZJZHW-LPEHRKFASA-N 1 2 229.345 1.540 20 30 BDEDLO C[N@H+](CCC#N)CCc1ccccc1O ZINC000344157996 354157442 /nfs/dbraw/zinc/15/74/42/354157442.db2.gz CRTQPUYGBKPWRP-UHFFFAOYSA-N 1 2 204.273 1.780 20 30 BDEDLO C[N@@H+](CCC#N)CCc1ccccc1O ZINC000344157996 354157445 /nfs/dbraw/zinc/15/74/45/354157445.db2.gz CRTQPUYGBKPWRP-UHFFFAOYSA-N 1 2 204.273 1.780 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000186956341 181086367 /nfs/dbraw/zinc/08/63/67/181086367.db2.gz MMQLDPYBKDPRAU-GFCCVEGCSA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000186956341 181086369 /nfs/dbraw/zinc/08/63/69/181086369.db2.gz MMQLDPYBKDPRAU-GFCCVEGCSA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1ccc(C(=O)Nc2cc[nH+]cc2O)s1 ZINC000358343509 181099628 /nfs/dbraw/zinc/09/96/28/181099628.db2.gz VCJHZRDLDWMSDY-UHFFFAOYSA-N 1 2 245.263 1.395 20 30 BDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000367849118 181130449 /nfs/dbraw/zinc/13/04/49/181130449.db2.gz LRUUDHBATQJBNV-BFHYXJOUSA-N 1 2 244.294 1.065 20 30 BDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000367849118 181130450 /nfs/dbraw/zinc/13/04/50/181130450.db2.gz LRUUDHBATQJBNV-BFHYXJOUSA-N 1 2 244.294 1.065 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335097975 354638779 /nfs/dbraw/zinc/63/87/79/354638779.db2.gz FRPFCSFVUUQVEI-LLVKDONJSA-N 1 2 247.342 1.916 20 30 BDEDLO CCC(=O)N1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000335117286 354707649 /nfs/dbraw/zinc/70/76/49/354707649.db2.gz MRSKULXNPXZCPK-MNOVXSKESA-N 1 2 221.304 1.190 20 30 BDEDLO CCC(=O)N1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000335117286 354707652 /nfs/dbraw/zinc/70/76/52/354707652.db2.gz MRSKULXNPXZCPK-MNOVXSKESA-N 1 2 221.304 1.190 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1 ZINC000301050757 363394745 /nfs/dbraw/zinc/39/47/45/363394745.db2.gz SRGXYQRSVRXFPI-LBPRGKRZSA-N 1 2 219.284 1.846 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1 ZINC000301050757 363394751 /nfs/dbraw/zinc/39/47/51/363394751.db2.gz SRGXYQRSVRXFPI-LBPRGKRZSA-N 1 2 219.284 1.846 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(C2CC2)CC1)C(=O)OC ZINC000301051318 363395112 /nfs/dbraw/zinc/39/51/12/363395112.db2.gz UFLXUMPHSONSSG-SNVBAGLBSA-N 1 2 209.289 1.494 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000301053448 363396823 /nfs/dbraw/zinc/39/68/23/363396823.db2.gz YFHOJOVLNLYIJR-MRVPVSSYSA-N 1 2 215.318 1.199 20 30 BDEDLO N#Cc1nc(-n2cc[nH+]c2)ccc1Cl ZINC000301511215 181166836 /nfs/dbraw/zinc/16/68/36/181166836.db2.gz IMSYBVWAOMRUII-UHFFFAOYSA-N 1 2 204.620 1.792 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ns1 ZINC000399093056 355358566 /nfs/dbraw/zinc/35/85/66/355358566.db2.gz BUXIVVQPHUYANC-QMMMGPOBSA-N 1 2 225.317 1.934 20 30 BDEDLO C[C@]12CC[N@H+](CCC#N)C[C@H]1C2(F)F ZINC000335810398 355485245 /nfs/dbraw/zinc/48/52/45/355485245.db2.gz VAKCIMVRLJTDAT-BDAKNGLRSA-N 1 2 200.232 1.877 20 30 BDEDLO C[C@]12CC[N@@H+](CCC#N)C[C@H]1C2(F)F ZINC000335810398 355485247 /nfs/dbraw/zinc/48/52/47/355485247.db2.gz VAKCIMVRLJTDAT-BDAKNGLRSA-N 1 2 200.232 1.877 20 30 BDEDLO O=C(N[C@H]1CCCOC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329457085 355922518 /nfs/dbraw/zinc/92/25/18/355922518.db2.gz NRFZHDIUKKIMEB-QWRGUYRKSA-N 1 2 249.314 1.581 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1csnn1)C(C)(C)C ZINC000389307405 355960425 /nfs/dbraw/zinc/96/04/25/355960425.db2.gz NZPXVFFKVPUITH-SECBINFHSA-N 1 2 209.318 1.676 20 30 BDEDLO C=CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000617610933 356177846 /nfs/dbraw/zinc/17/78/46/356177846.db2.gz FJIVZNYSMPDXRQ-SNVBAGLBSA-N 1 2 207.277 1.527 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)OC ZINC000403810384 356147190 /nfs/dbraw/zinc/14/71/90/356147190.db2.gz MHIJQVQBDUFRJK-KXNHARMFSA-N 1 2 223.316 1.740 20 30 BDEDLO CC#CCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261390 356150524 /nfs/dbraw/zinc/15/05/24/356150524.db2.gz PEABGLFFZGSWJF-NSHDSACASA-N 1 2 231.299 1.118 20 30 BDEDLO C=CCCNC(=O)CCCn1cc[nH+]c1 ZINC000617614948 356184080 /nfs/dbraw/zinc/18/40/80/356184080.db2.gz VHRRCUJIWJEKAI-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO C=CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000617618423 356189440 /nfs/dbraw/zinc/18/94/40/356189440.db2.gz OSMSHFSDTWVYHW-UHFFFAOYSA-N 1 2 246.301 1.656 20 30 BDEDLO COC(=O)[C@@](C)([NH2+]CCC(C)(C)C#N)C1CC1 ZINC000539615878 324848834 /nfs/dbraw/zinc/84/88/34/324848834.db2.gz QGJFUQLWANLKLX-ZDUSSCGKSA-N 1 2 238.331 1.858 20 30 BDEDLO C[C@@H](CNc1cncc(C#N)n1)Cn1cc[nH+]c1 ZINC000420578985 192246334 /nfs/dbraw/zinc/24/63/34/192246334.db2.gz AFDHBORIKJESCQ-JTQLQIEISA-N 1 2 242.286 1.293 20 30 BDEDLO CC#CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420817811 192262398 /nfs/dbraw/zinc/26/23/98/192262398.db2.gz LYCYFZMFXPIWDV-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO CC(C)C[N@H+](CC(N)=O)Cc1ccccc1C#N ZINC000026125557 356473495 /nfs/dbraw/zinc/47/34/95/356473495.db2.gz NSFLRHWGDVIKJA-UHFFFAOYSA-N 1 2 245.326 1.502 20 30 BDEDLO CC(C)C[N@@H+](CC(N)=O)Cc1ccccc1C#N ZINC000026125557 356473496 /nfs/dbraw/zinc/47/34/96/356473496.db2.gz NSFLRHWGDVIKJA-UHFFFAOYSA-N 1 2 245.326 1.502 20 30 BDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccn1 ZINC000639609717 356528537 /nfs/dbraw/zinc/52/85/37/356528537.db2.gz XLTQQSWIMGONOQ-UHFFFAOYSA-N 1 2 249.314 1.155 20 30 BDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccn1 ZINC000639609717 356528539 /nfs/dbraw/zinc/52/85/39/356528539.db2.gz XLTQQSWIMGONOQ-UHFFFAOYSA-N 1 2 249.314 1.155 20 30 BDEDLO N#CC1(C[N@H+]2CCSC[C@@H]2CO)CCC1 ZINC000336196954 134126961 /nfs/dbraw/zinc/12/69/61/134126961.db2.gz HFLHCYPMKKEZCB-JTQLQIEISA-N 1 2 226.345 1.090 20 30 BDEDLO N#CC1(C[N@@H+]2CCSC[C@@H]2CO)CCC1 ZINC000336196954 134126962 /nfs/dbraw/zinc/12/69/62/134126962.db2.gz HFLHCYPMKKEZCB-JTQLQIEISA-N 1 2 226.345 1.090 20 30 BDEDLO C[C@H]1C[N@H+](CCNc2cccc(C#N)n2)CCO1 ZINC000609892406 356649568 /nfs/dbraw/zinc/64/95/68/356649568.db2.gz DCRPFLPBVCETOA-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1C[N@@H+](CCNc2cccc(C#N)n2)CCO1 ZINC000609892406 356649571 /nfs/dbraw/zinc/64/95/71/356649571.db2.gz DCRPFLPBVCETOA-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO CCOC(=O)C[N@H+](C)CC1(CC#N)CC1 ZINC000088256893 356640217 /nfs/dbraw/zinc/64/02/17/356640217.db2.gz MGOFVKRNFWQQLD-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)C[N@@H+](C)CC1(CC#N)CC1 ZINC000088256893 356640219 /nfs/dbraw/zinc/64/02/19/356640219.db2.gz MGOFVKRNFWQQLD-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000403945888 356656305 /nfs/dbraw/zinc/65/63/05/356656305.db2.gz KKWJHKURZYZKQF-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000403945888 356656306 /nfs/dbraw/zinc/65/63/06/356656306.db2.gz KKWJHKURZYZKQF-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1C[C@@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000352714217 134151455 /nfs/dbraw/zinc/15/14/55/134151455.db2.gz BCRKJNYBMPQXTB-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1C[C@@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000352714217 134151456 /nfs/dbraw/zinc/15/14/56/134151456.db2.gz BCRKJNYBMPQXTB-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO N#CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000334151862 134154755 /nfs/dbraw/zinc/15/47/55/134154755.db2.gz LMJFMLBDJQFPGV-OLZOCXBDSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CCC[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000334151862 134154756 /nfs/dbraw/zinc/15/47/56/134154756.db2.gz LMJFMLBDJQFPGV-OLZOCXBDSA-N 1 2 234.274 1.847 20 30 BDEDLO C=CCO[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000302194739 134157621 /nfs/dbraw/zinc/15/76/21/134157621.db2.gz WYBRHEOOPLFPFQ-NSHDSACASA-N 1 2 204.273 1.863 20 30 BDEDLO CCC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000450428856 202162394 /nfs/dbraw/zinc/16/23/94/202162394.db2.gz XPCMNCPQEJQDDL-LBPRGKRZSA-N 1 2 210.321 1.916 20 30 BDEDLO CCC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000450428856 202162396 /nfs/dbraw/zinc/16/23/96/202162396.db2.gz XPCMNCPQEJQDDL-LBPRGKRZSA-N 1 2 210.321 1.916 20 30 BDEDLO CCC[N@H+](CC#N)CC1(C(=O)OC)CC1 ZINC000450422975 202162430 /nfs/dbraw/zinc/16/24/30/202162430.db2.gz VYQSJEYRPUAVJT-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CCC[N@@H+](CC#N)CC1(C(=O)OC)CC1 ZINC000450422975 202162432 /nfs/dbraw/zinc/16/24/32/202162432.db2.gz VYQSJEYRPUAVJT-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO N#Cc1nccn1Cc1c[nH+]c2ccccn12 ZINC000180057423 366366294 /nfs/dbraw/zinc/36/62/94/366366294.db2.gz NTUWUJFTSWGTRG-UHFFFAOYSA-N 1 2 223.239 1.451 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000582337365 357077234 /nfs/dbraw/zinc/07/72/34/357077234.db2.gz OAQXOXBXBNXLCT-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000582337365 357077237 /nfs/dbraw/zinc/07/72/37/357077237.db2.gz OAQXOXBXBNXLCT-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626519036 357168984 /nfs/dbraw/zinc/16/89/84/357168984.db2.gz PWORWSBSSVENBE-LLVKDONJSA-N 1 2 233.315 1.446 20 30 BDEDLO N#CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000397200046 357506814 /nfs/dbraw/zinc/50/68/14/357506814.db2.gz VLVMRWLDVGGTSK-UHFFFAOYSA-N 1 2 246.314 1.425 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@H](C)CC1CC1)C(=O)OC ZINC000361114195 134203616 /nfs/dbraw/zinc/20/36/16/134203616.db2.gz RLDJWEHCZGNBMZ-ZYHUDNBSSA-N 1 2 241.331 1.509 20 30 BDEDLO CC(C)(C#N)CCCC[NH+]1CCS(=O)CC1 ZINC000232529545 357663947 /nfs/dbraw/zinc/66/39/47/357663947.db2.gz IFILOPVITBZEGR-UHFFFAOYSA-N 1 2 242.388 1.771 20 30 BDEDLO CCn1cc[nH+]c1CNc1cc(C#N)cc(C)n1 ZINC000385382641 357756376 /nfs/dbraw/zinc/75/63/76/357756376.db2.gz SKQYLKRBQJKIQD-UHFFFAOYSA-N 1 2 241.298 1.512 20 30 BDEDLO CC[C@@H]1C[N@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000369537097 134222956 /nfs/dbraw/zinc/22/29/56/134222956.db2.gz NJWNWWNHRDAVPW-CHWSQXEVSA-N 1 2 238.331 1.560 20 30 BDEDLO CC[C@@H]1C[N@@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000369537097 134222957 /nfs/dbraw/zinc/22/29/57/134222957.db2.gz NJWNWWNHRDAVPW-CHWSQXEVSA-N 1 2 238.331 1.560 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192167572 357825253 /nfs/dbraw/zinc/82/52/53/357825253.db2.gz VOZITHDKYUIQSN-SECBINFHSA-N 1 2 221.308 1.577 20 30 BDEDLO C=C(C)C[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192167572 357825256 /nfs/dbraw/zinc/82/52/56/357825256.db2.gz VOZITHDKYUIQSN-SECBINFHSA-N 1 2 221.308 1.577 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)CC#N ZINC000583271544 357778920 /nfs/dbraw/zinc/77/89/20/357778920.db2.gz IBWVKSFVFKQDBI-NXEZZACHSA-N 1 2 234.303 1.349 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)CC#N ZINC000583271544 357778923 /nfs/dbraw/zinc/77/89/23/357778923.db2.gz IBWVKSFVFKQDBI-NXEZZACHSA-N 1 2 234.303 1.349 20 30 BDEDLO C=CCC1(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000191552402 357785316 /nfs/dbraw/zinc/78/53/16/357785316.db2.gz KWNNMOWKGCQBQP-UHFFFAOYSA-N 1 2 233.315 1.815 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](CO)O1 ZINC000191718094 357789928 /nfs/dbraw/zinc/78/99/28/357789928.db2.gz UIJMNNOJJRWVGU-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](CO)O1 ZINC000191718094 357789935 /nfs/dbraw/zinc/78/99/35/357789935.db2.gz UIJMNNOJJRWVGU-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C=C(C)COCC[NH2+][C@H](CC)C(=O)OC ZINC000168608012 134231648 /nfs/dbraw/zinc/23/16/48/134231648.db2.gz HNUROTJEUXEWSQ-SNVBAGLBSA-N 1 2 215.293 1.120 20 30 BDEDLO C[N@H+](C[C@H](C#N)CCC#N)C[C@H](O)C(F)(F)F ZINC000305780774 134242827 /nfs/dbraw/zinc/24/28/27/134242827.db2.gz TYBSCYNUHCWOJX-IUCAKERBSA-N 1 2 249.236 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BDEDLO CC[N@H+](CC(=O)NCC(C)C)C[C@@H](C)C#N ZINC000042323938 358521796 /nfs/dbraw/zinc/52/17/96/358521796.db2.gz OCYHVYKTHCUSRG-NSHDSACASA-N 1 2 225.336 1.240 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000042323921 358521881 /nfs/dbraw/zinc/52/18/81/358521881.db2.gz KKOMNXLMLRVRTL-NSHDSACASA-N 1 2 225.336 1.336 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000042323921 358521884 /nfs/dbraw/zinc/52/18/84/358521884.db2.gz KKOMNXLMLRVRTL-NSHDSACASA-N 1 2 225.336 1.336 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000127152267 358560510 /nfs/dbraw/zinc/56/05/10/358560510.db2.gz JOKQBZUBYHDBQL-UHFFFAOYSA-N 1 2 209.293 1.985 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000127152267 358560516 /nfs/dbraw/zinc/56/05/16/358560516.db2.gz JOKQBZUBYHDBQL-UHFFFAOYSA-N 1 2 209.293 1.985 20 30 BDEDLO CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H](C)C#N ZINC000042449799 358523446 /nfs/dbraw/zinc/52/34/46/358523446.db2.gz RBDNTEKNWZIMKJ-NEPJUHHUSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H](C)C#N ZINC000042449799 358523449 /nfs/dbraw/zinc/52/34/49/358523449.db2.gz RBDNTEKNWZIMKJ-NEPJUHHUSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454396 358524318 /nfs/dbraw/zinc/52/43/18/358524318.db2.gz OPPAMKVRFHZEBP-MNOVXSKESA-N 1 2 225.336 1.525 20 30 BDEDLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454396 358524320 /nfs/dbraw/zinc/52/43/20/358524320.db2.gz OPPAMKVRFHZEBP-MNOVXSKESA-N 1 2 225.336 1.525 20 30 BDEDLO C[C@H](C#N)C[N@H+](CCn1ccccc1=O)C1CC1 ZINC000611091074 358623990 /nfs/dbraw/zinc/62/39/90/358623990.db2.gz BKHTXOFXYHJXAH-GFCCVEGCSA-N 1 2 245.326 1.472 20 30 BDEDLO C[C@H](C#N)C[N@@H+](CCn1ccccc1=O)C1CC1 ZINC000611091074 358623993 /nfs/dbraw/zinc/62/39/93/358623993.db2.gz BKHTXOFXYHJXAH-GFCCVEGCSA-N 1 2 245.326 1.472 20 30 BDEDLO CC(C)C[N@H+](CCC#N)Cc1cnn(C)c1 ZINC000049800849 358702598 /nfs/dbraw/zinc/70/25/98/358702598.db2.gz WGFYTFAAFDKBTD-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn(C)c1 ZINC000049800849 358702602 /nfs/dbraw/zinc/70/26/02/358702602.db2.gz WGFYTFAAFDKBTD-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO Cn1cnnc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000050418110 358729381 /nfs/dbraw/zinc/72/93/81/358729381.db2.gz LPEBEJNYAUHLSF-UHFFFAOYSA-N 1 2 245.261 1.116 20 30 BDEDLO CCOC(=O)CCCC[N@H+](CC)CC#N ZINC000132637249 358732057 /nfs/dbraw/zinc/73/20/57/358732057.db2.gz DXEDWNRFQRBSEU-UHFFFAOYSA-N 1 2 212.293 1.565 20 30 BDEDLO CCOC(=O)CCCC[N@@H+](CC)CC#N ZINC000132637249 358732061 /nfs/dbraw/zinc/73/20/61/358732061.db2.gz DXEDWNRFQRBSEU-UHFFFAOYSA-N 1 2 212.293 1.565 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000136204562 358868420 /nfs/dbraw/zinc/86/84/20/358868420.db2.gz HZJLJHINQPZRJN-ZDUSSCGKSA-N 1 2 235.331 1.233 20 30 BDEDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)o1 ZINC000611254598 359274860 /nfs/dbraw/zinc/27/48/60/359274860.db2.gz YPIMNESINAJSSU-UHFFFAOYSA-N 1 2 235.287 1.061 20 30 BDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)o1 ZINC000611254598 359274863 /nfs/dbraw/zinc/27/48/63/359274863.db2.gz YPIMNESINAJSSU-UHFFFAOYSA-N 1 2 235.287 1.061 20 30 BDEDLO Cn1nccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159560 359707952 /nfs/dbraw/zinc/70/79/52/359707952.db2.gz CTMHBSYFRVRMSB-LBPRGKRZSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1nccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159560 359707954 /nfs/dbraw/zinc/70/79/54/359707954.db2.gz CTMHBSYFRVRMSB-LBPRGKRZSA-N 1 2 218.304 1.546 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](CCN2CCCC2=O)C1 ZINC000612161455 359713236 /nfs/dbraw/zinc/71/32/36/359713236.db2.gz SXFXXMXNEDACRY-CYBMUJFWSA-N 1 2 235.331 1.234 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000612161455 359713240 /nfs/dbraw/zinc/71/32/40/359713240.db2.gz SXFXXMXNEDACRY-CYBMUJFWSA-N 1 2 235.331 1.234 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000450802210 202269635 /nfs/dbraw/zinc/26/96/35/202269635.db2.gz GVJJJMQPTUCIFP-MNOVXSKESA-N 1 2 219.288 1.931 20 30 BDEDLO N#CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000612309760 359781684 /nfs/dbraw/zinc/78/16/84/359781684.db2.gz GNKQDIFFEZEJKY-UHFFFAOYSA-N 1 2 243.270 1.760 20 30 BDEDLO C=C[C@H]([NH2+]CCC1CC(OCC)C1)C(=O)OC ZINC000619702627 363665853 /nfs/dbraw/zinc/66/58/53/363665853.db2.gz JHKBKLWEXUJHLH-MCIGGMRASA-N 1 2 241.331 1.509 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451184733 202372140 /nfs/dbraw/zinc/37/21/40/202372140.db2.gz KWCFIGDYJYRZJK-WDEREUQCSA-N 1 2 241.310 1.038 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451184733 202372144 /nfs/dbraw/zinc/37/21/44/202372144.db2.gz KWCFIGDYJYRZJK-WDEREUQCSA-N 1 2 241.310 1.038 20 30 BDEDLO CCN(C[C@H](C)C#N)[C@@H](C)C[NH+]1CCOCC1 ZINC000091510025 360118655 /nfs/dbraw/zinc/11/86/55/360118655.db2.gz VKEYJXDDIYRQQJ-OLZOCXBDSA-N 1 2 239.363 1.189 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000067406169 370667602 /nfs/dbraw/zinc/66/76/02/370667602.db2.gz AYUDJINTVHAASO-VIFPVBQESA-N 1 2 217.272 1.177 20 30 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C[C@H](C(=O)NC1CC1)[N@H+](C)CC(C)(C)C#N ZINC000433324878 201182706 /nfs/dbraw/zinc/18/27/06/201182706.db2.gz GERCVVCGHCAYQO-SECBINFHSA-N 1 2 223.320 1.135 20 30 BDEDLO C[C@H](C(=O)NC1CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433324878 201182710 /nfs/dbraw/zinc/18/27/10/201182710.db2.gz GERCVVCGHCAYQO-SECBINFHSA-N 1 2 223.320 1.135 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000433296713 201175974 /nfs/dbraw/zinc/17/59/74/201175974.db2.gz TXXNQPMEZNPSPU-LLVKDONJSA-N 1 2 235.331 1.255 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000433296713 201175976 /nfs/dbraw/zinc/17/59/76/201175976.db2.gz TXXNQPMEZNPSPU-LLVKDONJSA-N 1 2 235.331 1.255 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000433296714 201176357 /nfs/dbraw/zinc/17/63/57/201176357.db2.gz TXXNQPMEZNPSPU-NSHDSACASA-N 1 2 235.331 1.255 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000433296714 201176361 /nfs/dbraw/zinc/17/63/61/201176361.db2.gz TXXNQPMEZNPSPU-NSHDSACASA-N 1 2 235.331 1.255 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PHPIQCDIVAXMRY-UHFFFAOYSA-N 1 2 204.701 1.197 20 30 BDEDLO C=CCCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000299156123 384118200 /nfs/dbraw/zinc/11/82/00/384118200.db2.gz ZEVURQZRYDFLPQ-JTQLQIEISA-N 1 2 236.319 1.647 20 30 BDEDLO C=CCCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000299156123 384118206 /nfs/dbraw/zinc/11/82/06/384118206.db2.gz ZEVURQZRYDFLPQ-JTQLQIEISA-N 1 2 236.319 1.647 20 30 BDEDLO C[C@@H](CC(=O)N[C@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000569488990 384109139 /nfs/dbraw/zinc/10/91/39/384109139.db2.gz DZHNXDYNBKMWCV-GXSJLCMTSA-N 1 2 232.287 1.253 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C(=O)OC)C1CC1)C(C)(C)C ZINC000309622295 384183298 /nfs/dbraw/zinc/18/32/98/384183298.db2.gz FPOAWKWOKZXIOX-QWRGUYRKSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375350551 533047004 /nfs/dbraw/zinc/04/70/04/533047004.db2.gz XBHNLFDFZPZTHI-UHFFFAOYSA-N 1 2 219.259 1.352 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C(=O)OC ZINC000361112657 384215979 /nfs/dbraw/zinc/21/59/79/384215979.db2.gz IUNFPAZICAIBBG-TUAOUCFPSA-N 1 2 241.331 1.509 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)o1 ZINC000336796332 384282922 /nfs/dbraw/zinc/28/29/22/384282922.db2.gz RPVOTUYNWSYNLZ-UHFFFAOYSA-N 1 2 244.254 1.157 20 30 BDEDLO N#Cc1nn(CC[C@H]2CC[NH2+]C2)c2ccccc12 ZINC000335446769 384289985 /nfs/dbraw/zinc/28/99/85/384289985.db2.gz KXNVJZYCTLTMIT-LLVKDONJSA-N 1 2 240.310 1.908 20 30 BDEDLO C#CCC[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000375616758 533055495 /nfs/dbraw/zinc/05/54/95/533055495.db2.gz JFFZJDKUHFAFIR-UHFFFAOYSA-N 1 2 242.322 1.667 20 30 BDEDLO C#CCC[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000375616758 533055501 /nfs/dbraw/zinc/05/55/01/533055501.db2.gz JFFZJDKUHFAFIR-UHFFFAOYSA-N 1 2 242.322 1.667 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](O)c1ccccc1F ZINC000076185654 384362460 /nfs/dbraw/zinc/36/24/60/384362460.db2.gz AFYJOBYPJBMFAD-AWEZNQCLSA-N 1 2 231.270 1.428 20 30 BDEDLO C=CC[N@@H+](C)Cc1nccn1C(F)F ZINC000076647733 384381097 /nfs/dbraw/zinc/38/10/97/384381097.db2.gz JUSDIOGCUKXZNI-UHFFFAOYSA-N 1 2 201.220 1.896 20 30 BDEDLO C=CC[N@H+](C)Cc1nccn1C(F)F ZINC000076647733 384381105 /nfs/dbraw/zinc/38/11/05/384381105.db2.gz JUSDIOGCUKXZNI-UHFFFAOYSA-N 1 2 201.220 1.896 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccnc1C ZINC000490915766 384485495 /nfs/dbraw/zinc/48/54/95/384485495.db2.gz PDJQWZOLUCAGJV-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccnc1C ZINC000490915766 384485499 /nfs/dbraw/zinc/48/54/99/384485499.db2.gz PDJQWZOLUCAGJV-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000172716891 384513614 /nfs/dbraw/zinc/51/36/14/384513614.db2.gz AFJYUVWKXQNRQQ-UHFFFAOYSA-N 1 2 233.315 1.124 20 30 BDEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000491382050 384616384 /nfs/dbraw/zinc/61/63/84/384616384.db2.gz HILULLSKCWKFSK-PWSUYJOCSA-N 1 2 233.315 1.362 20 30 BDEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000491382050 384616392 /nfs/dbraw/zinc/61/63/92/384616392.db2.gz HILULLSKCWKFSK-PWSUYJOCSA-N 1 2 233.315 1.362 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nccc(N)n1 ZINC000309636417 384675210 /nfs/dbraw/zinc/67/52/10/384675210.db2.gz SQIGTZYMWFDMMG-SNVBAGLBSA-N 1 2 218.304 1.599 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nccc(N)n1 ZINC000309636417 384675216 /nfs/dbraw/zinc/67/52/16/384675216.db2.gz SQIGTZYMWFDMMG-SNVBAGLBSA-N 1 2 218.304 1.599 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nccc(N)n1 ZINC000309636416 384676989 /nfs/dbraw/zinc/67/69/89/384676989.db2.gz SQIGTZYMWFDMMG-JTQLQIEISA-N 1 2 218.304 1.599 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nccc(N)n1 ZINC000309636416 384676993 /nfs/dbraw/zinc/67/69/93/384676993.db2.gz SQIGTZYMWFDMMG-JTQLQIEISA-N 1 2 218.304 1.599 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@@H](C)COC)C(=O)OCC ZINC000449658682 384834754 /nfs/dbraw/zinc/83/47/54/384834754.db2.gz UCIGLKHHIURHOO-WDEREUQCSA-N 1 2 229.320 1.509 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449668677 384873988 /nfs/dbraw/zinc/87/39/88/384873988.db2.gz WTBKJAAPTRCCPX-TUAOUCFPSA-N 1 2 238.331 1.998 20 30 BDEDLO COCc1cnc(C[NH2+]CC(C)(C)C#N)s1 ZINC000309848891 384876421 /nfs/dbraw/zinc/87/64/21/384876421.db2.gz IATHEAJRDLKUAC-UHFFFAOYSA-N 1 2 239.344 1.929 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccncc1F ZINC000449285454 384839898 /nfs/dbraw/zinc/83/98/98/384839898.db2.gz QSJGRWBXCPIDGS-UHFFFAOYSA-N 1 2 224.279 1.855 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccncc1F ZINC000449285454 384839906 /nfs/dbraw/zinc/83/99/06/384839906.db2.gz QSJGRWBXCPIDGS-UHFFFAOYSA-N 1 2 224.279 1.855 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152113664 384951497 /nfs/dbraw/zinc/95/14/97/384951497.db2.gz ICUPTVSNVNUNPM-NSHDSACASA-N 1 2 245.330 1.775 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152113664 384951504 /nfs/dbraw/zinc/95/15/04/384951504.db2.gz ICUPTVSNVNUNPM-NSHDSACASA-N 1 2 245.330 1.775 20 30 BDEDLO C=C(C)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000306389091 384908103 /nfs/dbraw/zinc/90/81/03/384908103.db2.gz WFOQAOFRLMXLBC-IWIIMEHWSA-N 1 2 201.335 1.404 20 30 BDEDLO C=C(C)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000306389091 384908109 /nfs/dbraw/zinc/90/81/09/384908109.db2.gz WFOQAOFRLMXLBC-IWIIMEHWSA-N 1 2 201.335 1.404 20 30 BDEDLO CCOCCO[NH+]=C(N)COc1ccccc1 ZINC000127747542 384941145 /nfs/dbraw/zinc/94/11/45/384941145.db2.gz XZQPRSOYASJJAP-UHFFFAOYSA-N 1 2 238.287 1.391 20 30 BDEDLO C=C(C)C[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000531103832 384948642 /nfs/dbraw/zinc/94/86/42/384948642.db2.gz FVMBIKNVWPMRFM-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO C=C(C)C[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000531103832 384948649 /nfs/dbraw/zinc/94/86/49/384948649.db2.gz FVMBIKNVWPMRFM-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO C=CCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000370864600 385046790 /nfs/dbraw/zinc/04/67/90/385046790.db2.gz DUJKXWJBQKDBEE-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCNC(=O)NC(C)C ZINC000569335948 385129328 /nfs/dbraw/zinc/12/93/28/385129328.db2.gz IAGGFHPNSHGXEW-UHFFFAOYSA-N 1 2 238.335 1.096 20 30 BDEDLO C=CC[N@H+](CCC#N)CCNC(=O)NC(C)C ZINC000569335948 385129334 /nfs/dbraw/zinc/12/93/34/385129334.db2.gz IAGGFHPNSHGXEW-UHFFFAOYSA-N 1 2 238.335 1.096 20 30 BDEDLO C#CC[N@@H+](Cc1conc1CC)C1CC1 ZINC000491210155 385132883 /nfs/dbraw/zinc/13/28/83/385132883.db2.gz QOFPVACZYIIIDI-UHFFFAOYSA-N 1 2 204.273 1.835 20 30 BDEDLO C#CC[N@H+](Cc1conc1CC)C1CC1 ZINC000491210155 385132886 /nfs/dbraw/zinc/13/28/86/385132886.db2.gz QOFPVACZYIIIDI-UHFFFAOYSA-N 1 2 204.273 1.835 20 30 BDEDLO Cc1[nH]ncc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189589316 385213023 /nfs/dbraw/zinc/21/30/23/385213023.db2.gz OUKSVEJCDPEMTG-UHFFFAOYSA-N 1 2 229.287 1.218 20 30 BDEDLO CC#CCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000166040178 385217251 /nfs/dbraw/zinc/21/72/51/385217251.db2.gz DCQLJKYXIWGLFD-UHFFFAOYSA-N 1 2 230.267 1.282 20 30 BDEDLO C#CC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157714308 385251194 /nfs/dbraw/zinc/25/11/94/385251194.db2.gz SOYWMSACYUUEOF-JTQLQIEISA-N 1 2 207.298 1.755 20 30 BDEDLO C#CC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157714308 385251200 /nfs/dbraw/zinc/25/12/00/385251200.db2.gz SOYWMSACYUUEOF-JTQLQIEISA-N 1 2 207.298 1.755 20 30 BDEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)nn1 ZINC000330364397 385284095 /nfs/dbraw/zinc/28/40/95/385284095.db2.gz MIEGFNBKJGXYNI-UHFFFAOYSA-N 1 2 232.287 1.221 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)C#N ZINC000154759401 385353690 /nfs/dbraw/zinc/35/36/90/385353690.db2.gz MFMYKBXWUDIGJF-UHFFFAOYSA-N 1 2 234.303 1.281 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1F ZINC000491652160 385354092 /nfs/dbraw/zinc/35/40/92/385354092.db2.gz AEYVVNRHQGNFGQ-JTQLQIEISA-N 1 2 234.274 1.718 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000491652160 385354095 /nfs/dbraw/zinc/35/40/95/385354095.db2.gz AEYVVNRHQGNFGQ-JTQLQIEISA-N 1 2 234.274 1.718 20 30 BDEDLO COC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444718566 385458163 /nfs/dbraw/zinc/45/81/63/385458163.db2.gz LBYHCPSKUKPMJA-QWRGUYRKSA-N 1 2 226.320 1.008 20 30 BDEDLO COC[C@@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444718566 385458167 /nfs/dbraw/zinc/45/81/67/385458167.db2.gz LBYHCPSKUKPMJA-QWRGUYRKSA-N 1 2 226.320 1.008 20 30 BDEDLO CC1(C#N)CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000408160961 385580536 /nfs/dbraw/zinc/58/05/36/385580536.db2.gz YKMKVRXOETVHLS-UHFFFAOYSA-N 1 2 249.358 1.528 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446071253 385629080 /nfs/dbraw/zinc/62/90/80/385629080.db2.gz IYNKJQJHPCMNNW-OUAUKWLOSA-N 1 2 208.305 1.788 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446071253 385629083 /nfs/dbraw/zinc/62/90/83/385629083.db2.gz IYNKJQJHPCMNNW-OUAUKWLOSA-N 1 2 208.305 1.788 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000320187905 385664789 /nfs/dbraw/zinc/66/47/89/385664789.db2.gz UGZZFHFZCVENNV-JTQLQIEISA-N 1 2 207.277 1.524 20 30 BDEDLO Cc1cnc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000259727121 385638462 /nfs/dbraw/zinc/63/84/62/385638462.db2.gz IZRBXOGEGIBTIX-UHFFFAOYSA-N 1 2 216.288 1.521 20 30 BDEDLO CC[C@H]1C[N@H+](CCC#N)C[C@]2(CCOC2)O1 ZINC000366579820 385718992 /nfs/dbraw/zinc/71/89/92/385718992.db2.gz WVTLNKSQZSUDRO-RYUDHWBXSA-N 1 2 224.304 1.170 20 30 BDEDLO CC[C@H]1C[N@@H+](CCC#N)C[C@]2(CCOC2)O1 ZINC000366579820 385718996 /nfs/dbraw/zinc/71/89/96/385718996.db2.gz WVTLNKSQZSUDRO-RYUDHWBXSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425396660 385946361 /nfs/dbraw/zinc/94/63/61/385946361.db2.gz PTJQELXRFVYXSR-QWRGUYRKSA-N 1 2 237.347 1.477 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425396660 385946364 /nfs/dbraw/zinc/94/63/64/385946364.db2.gz PTJQELXRFVYXSR-QWRGUYRKSA-N 1 2 237.347 1.477 20 30 BDEDLO N#CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000425992820 385958492 /nfs/dbraw/zinc/95/84/92/385958492.db2.gz HQRKRRIFVQRHJE-UHFFFAOYSA-N 1 2 230.315 1.685 20 30 BDEDLO COC(=O)[C@@H]1CC[N@H+](CCC#N)C[C@@H]1C ZINC000408311326 386036624 /nfs/dbraw/zinc/03/66/24/386036624.db2.gz YUFMCMHQXOPQDC-VHSXEESVSA-N 1 2 210.277 1.031 20 30 BDEDLO COC(=O)[C@@H]1CC[N@@H+](CCC#N)C[C@@H]1C ZINC000408311326 386036627 /nfs/dbraw/zinc/03/66/27/386036627.db2.gz YUFMCMHQXOPQDC-VHSXEESVSA-N 1 2 210.277 1.031 20 30 BDEDLO CN(C)c1[nH]c2ccc(NC(=O)CC#N)cc2[nH+]1 ZINC000416223574 386237026 /nfs/dbraw/zinc/23/70/26/386237026.db2.gz PHLBHQBKLLNARI-UHFFFAOYSA-N 1 2 243.270 1.481 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000645404311 386470662 /nfs/dbraw/zinc/47/06/62/386470662.db2.gz DXCFEOSWXULPPC-LLVKDONJSA-N 1 2 219.288 1.225 20 30 BDEDLO CC#CC[C@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000645406041 386482596 /nfs/dbraw/zinc/48/25/96/386482596.db2.gz PBGQSRKGBJUBMH-LLVKDONJSA-N 1 2 243.310 1.181 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000192228677 386487378 /nfs/dbraw/zinc/48/73/78/386487378.db2.gz BBTMYNHFRNVWNA-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000192228677 386487382 /nfs/dbraw/zinc/48/73/82/386487382.db2.gz BBTMYNHFRNVWNA-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO Cc1cc(N2C[C@@H](C)[C@H](O)C2)c(C#N)c[nH+]1 ZINC000399003272 386504633 /nfs/dbraw/zinc/50/46/33/386504633.db2.gz UWJNVTRQMPGKSS-PRHODGIISA-N 1 2 217.272 1.079 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000339759804 386593585 /nfs/dbraw/zinc/59/35/85/386593585.db2.gz OCVDZKZQUXZHFC-SECBINFHSA-N 1 2 207.277 1.648 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000339759804 386593592 /nfs/dbraw/zinc/59/35/92/386593592.db2.gz OCVDZKZQUXZHFC-SECBINFHSA-N 1 2 207.277 1.648 20 30 BDEDLO C[N@H+](Cc1cnccn1)CC(C)(C)C#N ZINC000519731001 386544254 /nfs/dbraw/zinc/54/42/54/386544254.db2.gz ZDFDCOVKNMVAMD-UHFFFAOYSA-N 1 2 204.277 1.458 20 30 BDEDLO C[N@@H+](Cc1cnccn1)CC(C)(C)C#N ZINC000519731001 386544259 /nfs/dbraw/zinc/54/42/59/386544259.db2.gz ZDFDCOVKNMVAMD-UHFFFAOYSA-N 1 2 204.277 1.458 20 30 BDEDLO CCN(CC#N)Cc1c[nH+]cn1C(C)C ZINC000425323275 386560897 /nfs/dbraw/zinc/56/08/97/386560897.db2.gz IUPMYMURUOPASQ-UHFFFAOYSA-N 1 2 206.293 1.809 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000335409213 386571094 /nfs/dbraw/zinc/57/10/94/386571094.db2.gz QQXFZSWIKAXRLF-LBPRGKRZSA-N 1 2 238.356 1.498 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000335409213 386571095 /nfs/dbraw/zinc/57/10/95/386571095.db2.gz QQXFZSWIKAXRLF-LBPRGKRZSA-N 1 2 238.356 1.498 20 30 BDEDLO Cc1nc(CCNC(=O)c2c[nH+]c(C)[nH]2)c(C)o1 ZINC000328935892 386650142 /nfs/dbraw/zinc/65/01/42/386650142.db2.gz QMZRXGSOOKIKIE-UHFFFAOYSA-N 1 2 248.286 1.870 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)NCCC(C)(C)C ZINC000330565074 386789495 /nfs/dbraw/zinc/78/94/95/386789495.db2.gz KCAKBYLWAKPDHK-UHFFFAOYSA-N 1 2 238.335 1.860 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000450898967 386814387 /nfs/dbraw/zinc/81/43/87/386814387.db2.gz RUWOXYAMBXCSIF-LBPRGKRZSA-N 1 2 247.342 1.823 20 30 BDEDLO C#CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000051855679 386869647 /nfs/dbraw/zinc/86/96/47/386869647.db2.gz NZIRWYNPZPSOLB-UHFFFAOYSA-N 1 2 245.282 1.350 20 30 BDEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1nncn1C ZINC000051814431 386870241 /nfs/dbraw/zinc/87/02/41/386870241.db2.gz UNFNJWBLQYGJPJ-LBPRGKRZSA-N 1 2 240.310 1.517 20 30 BDEDLO CC#CC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000335771729 386919672 /nfs/dbraw/zinc/91/96/72/386919672.db2.gz LGYIGCKFBHFBRX-UHFFFAOYSA-N 1 2 233.290 1.366 20 30 BDEDLO CNC(=O)C[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000518966740 386958797 /nfs/dbraw/zinc/95/87/97/386958797.db2.gz XLJOWSKXSRVDAS-LBPRGKRZSA-N 1 2 231.299 1.367 20 30 BDEDLO CCOCCCNc1cc(C)[nH+]cc1C#N ZINC000399609391 387043146 /nfs/dbraw/zinc/04/31/46/387043146.db2.gz VZJJCORELLDJQV-UHFFFAOYSA-N 1 2 219.288 1.522 20 30 BDEDLO CCc1ncc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418144923 387166932 /nfs/dbraw/zinc/16/69/32/387166932.db2.gz VTXORBBDALZYHS-UHFFFAOYSA-N 1 2 230.315 1.822 20 30 BDEDLO COc1nccc(C[NH2+]CC2(C#N)CCC2)n1 ZINC000418137136 387173867 /nfs/dbraw/zinc/17/38/67/387173867.db2.gz DFOZZLFHLRAIRB-UHFFFAOYSA-N 1 2 232.287 1.269 20 30 BDEDLO C[C@H](CNc1cnc(C#N)cn1)Cn1cc[nH+]c1 ZINC000121756331 387133815 /nfs/dbraw/zinc/13/38/15/387133815.db2.gz MSLBAESYAHEZHU-SNVBAGLBSA-N 1 2 242.286 1.293 20 30 BDEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000352484400 387247994 /nfs/dbraw/zinc/24/79/94/387247994.db2.gz OTIDWCNGJNDVST-UHFFFAOYSA-N 1 2 249.289 1.918 20 30 BDEDLO CNC(=O)c1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000161883856 387280286 /nfs/dbraw/zinc/28/02/86/387280286.db2.gz GHYOAKCMNFSJTN-LLVKDONJSA-N 1 2 245.326 1.780 20 30 BDEDLO CNC(=O)c1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000161883856 387280291 /nfs/dbraw/zinc/28/02/91/387280291.db2.gz GHYOAKCMNFSJTN-LLVKDONJSA-N 1 2 245.326 1.780 20 30 BDEDLO C=C(Cl)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189449172 387285552 /nfs/dbraw/zinc/28/55/52/387285552.db2.gz WNQZEYMOTDHHMR-SSDOTTSWSA-N 1 2 231.645 1.984 20 30 BDEDLO C=C(Cl)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189449172 387285556 /nfs/dbraw/zinc/28/55/56/387285556.db2.gz WNQZEYMOTDHHMR-SSDOTTSWSA-N 1 2 231.645 1.984 20 30 BDEDLO C[C@H](CNc1cnccc1C#N)[NH+]1CCOCC1 ZINC000269969640 387294994 /nfs/dbraw/zinc/29/49/94/387294994.db2.gz NXRWBURPTGCSCN-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C=C(C)[C@H](CC(=O)NCc1[nH]cc[nH+]1)OCC ZINC000270030435 387425919 /nfs/dbraw/zinc/42/59/19/387425919.db2.gz GWTMMWXKZIZWPY-JTQLQIEISA-N 1 2 237.303 1.397 20 30 BDEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000267399442 387409740 /nfs/dbraw/zinc/40/97/40/387409740.db2.gz PBJWQHZRZYGIQE-UHFFFAOYSA-N 1 2 236.702 1.109 20 30 BDEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000267399442 387409745 /nfs/dbraw/zinc/40/97/45/387409745.db2.gz PBJWQHZRZYGIQE-UHFFFAOYSA-N 1 2 236.702 1.109 20 30 BDEDLO C[N@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000269593223 387421718 /nfs/dbraw/zinc/42/17/18/387421718.db2.gz SWNIPCRAMRULFW-UHFFFAOYSA-N 1 2 236.702 1.109 20 30 BDEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000269593223 387421728 /nfs/dbraw/zinc/42/17/28/387421728.db2.gz SWNIPCRAMRULFW-UHFFFAOYSA-N 1 2 236.702 1.109 20 30 BDEDLO CC#CCCCC(=O)NCc1[nH+]ccn1C ZINC000274340595 387473576 /nfs/dbraw/zinc/47/35/76/387473576.db2.gz METPWCPNECDHNS-UHFFFAOYSA-N 1 2 219.288 1.230 20 30 BDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000353134546 387686856 /nfs/dbraw/zinc/68/68/56/387686856.db2.gz HEOCEOXQWQHZGP-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000353134546 387686866 /nfs/dbraw/zinc/68/68/66/387686866.db2.gz HEOCEOXQWQHZGP-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126989459 387700246 /nfs/dbraw/zinc/70/02/46/387700246.db2.gz GAKCJNQOGQRACX-AWEZNQCLSA-N 1 2 231.295 1.789 20 30 BDEDLO CC#CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126989459 387700255 /nfs/dbraw/zinc/70/02/55/387700255.db2.gz GAKCJNQOGQRACX-AWEZNQCLSA-N 1 2 231.295 1.789 20 30 BDEDLO CCC[C@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399487305 387709912 /nfs/dbraw/zinc/70/99/12/387709912.db2.gz FRDZOQQGMSCEIC-GFCCVEGCSA-N 1 2 233.315 1.911 20 30 BDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ncnn1C ZINC000353178447 387740129 /nfs/dbraw/zinc/74/01/29/387740129.db2.gz AXVOHFAZBAWBHY-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=C(C)COCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422992092 387800960 /nfs/dbraw/zinc/80/09/60/387800960.db2.gz QQUOQKPFLGVWLJ-VXGBXAGGSA-N 1 2 212.337 1.167 20 30 BDEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000049948282 387804610 /nfs/dbraw/zinc/80/46/10/387804610.db2.gz LPKRQSVILMYXQN-UHFFFAOYSA-N 1 2 246.310 1.943 20 30 BDEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC000049948282 387804615 /nfs/dbraw/zinc/80/46/15/387804615.db2.gz LPKRQSVILMYXQN-UHFFFAOYSA-N 1 2 246.310 1.943 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cncs2)nn1 ZINC000424167893 387857169 /nfs/dbraw/zinc/85/71/69/387857169.db2.gz DPVVLOZMJBXHBC-UHFFFAOYSA-N 1 2 235.316 1.210 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccco2)nn1 ZINC000424301051 387960245 /nfs/dbraw/zinc/96/02/45/387960245.db2.gz ZGPRYDNCHXJUSR-SNVBAGLBSA-N 1 2 232.287 1.908 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057784 388073313 /nfs/dbraw/zinc/07/33/13/388073313.db2.gz YMWAUZWMZGVIQQ-JTQLQIEISA-N 1 2 234.299 1.158 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057784 388073314 /nfs/dbraw/zinc/07/33/14/388073314.db2.gz YMWAUZWMZGVIQQ-JTQLQIEISA-N 1 2 234.299 1.158 20 30 BDEDLO C#CC[N@@H+](CCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000117879617 388092014 /nfs/dbraw/zinc/09/20/14/388092014.db2.gz MRVHVUOVRIGKIL-LBPRGKRZSA-N 1 2 243.372 1.299 20 30 BDEDLO C#CC[N@H+](CCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000117879617 388092016 /nfs/dbraw/zinc/09/20/16/388092016.db2.gz MRVHVUOVRIGKIL-LBPRGKRZSA-N 1 2 243.372 1.299 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447832384 388096680 /nfs/dbraw/zinc/09/66/80/388096680.db2.gz MESJJAAQIYPQDK-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447832384 388096682 /nfs/dbraw/zinc/09/66/82/388096682.db2.gz MESJJAAQIYPQDK-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@@H](C(N)=O)C1 ZINC000249968080 388160716 /nfs/dbraw/zinc/16/07/16/388160716.db2.gz KGZWVZLRFGWSQF-BXKDBHETSA-N 1 2 247.298 1.237 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H](C(N)=O)C1 ZINC000249968080 388160717 /nfs/dbraw/zinc/16/07/17/388160717.db2.gz KGZWVZLRFGWSQF-BXKDBHETSA-N 1 2 247.298 1.237 20 30 BDEDLO C=C[C@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000454671767 388129181 /nfs/dbraw/zinc/12/91/81/388129181.db2.gz MKQQBQXVXLUALI-VIFPVBQESA-N 1 2 222.292 1.277 20 30 BDEDLO C=CCC[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000455031755 388145716 /nfs/dbraw/zinc/14/57/16/388145716.db2.gz AOOHJJQIMVISJR-LBPRGKRZSA-N 1 2 249.314 1.261 20 30 BDEDLO C=C(C)CN(C)C(=O)NCc1[nH+]ccn1CC ZINC000455291769 388154592 /nfs/dbraw/zinc/15/45/92/388154592.db2.gz ISICBSPMJYSIPV-UHFFFAOYSA-N 1 2 236.319 1.621 20 30 BDEDLO C#CC[N@H+](CC#CC)C/C=C(\C)C(=O)OC ZINC000490779241 388254128 /nfs/dbraw/zinc/25/41/28/388254128.db2.gz UEMKSQFPWCUJCX-XYOKQWHBSA-N 1 2 219.284 1.064 20 30 BDEDLO C#CC[N@@H+](CC#CC)C/C=C(\C)C(=O)OC ZINC000490779241 388254131 /nfs/dbraw/zinc/25/41/31/388254131.db2.gz UEMKSQFPWCUJCX-XYOKQWHBSA-N 1 2 219.284 1.064 20 30 BDEDLO C=C(C)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000488577021 388189390 /nfs/dbraw/zinc/18/93/90/388189390.db2.gz KOYHLPBMNVKFCH-UHFFFAOYSA-N 1 2 248.330 1.523 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C)C(=O)OCC ZINC000449653917 388248265 /nfs/dbraw/zinc/24/82/65/388248265.db2.gz DAPRZCSEXRHQKD-WOPDTQHZSA-N 1 2 241.331 1.651 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCC)C(=O)OCC ZINC000451607056 388283770 /nfs/dbraw/zinc/28/37/70/388283770.db2.gz OLLGOONGWIRAAZ-WOPDTQHZSA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000491297830 388284018 /nfs/dbraw/zinc/28/40/18/388284018.db2.gz SCPMTCYVEALHDF-AWEZNQCLSA-N 1 2 245.322 1.838 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC000491297830 388284019 /nfs/dbraw/zinc/28/40/19/388284019.db2.gz SCPMTCYVEALHDF-AWEZNQCLSA-N 1 2 245.322 1.838 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000491315709 388285037 /nfs/dbraw/zinc/28/50/37/388285037.db2.gz PTZKRVXNXIUVII-NEPJUHHUSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@@H](CC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000491315919 388285132 /nfs/dbraw/zinc/28/51/32/388285132.db2.gz QRNZVBKLXMJVJI-AEZGRPFRSA-N 1 2 231.299 1.444 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)nc1C ZINC000491361197 388288330 /nfs/dbraw/zinc/28/83/30/388288330.db2.gz JHULWUJXBPTDGM-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)nc1C ZINC000491361197 388288331 /nfs/dbraw/zinc/28/83/31/388288331.db2.gz JHULWUJXBPTDGM-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO C#CCN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491405514 388292351 /nfs/dbraw/zinc/29/23/51/388292351.db2.gz JAPNEUDXWQYFEW-UHFFFAOYSA-N 1 2 242.282 1.109 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000491497435 388299398 /nfs/dbraw/zinc/29/93/98/388299398.db2.gz YFZIHSOBGMTKIM-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#CC[N@H+](C)Cc1cccc(F)c1C#N ZINC000491497435 388299400 /nfs/dbraw/zinc/29/94/00/388299400.db2.gz YFZIHSOBGMTKIM-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCCC(C)(C)C)C1CC1 ZINC000491516648 388300160 /nfs/dbraw/zinc/30/01/60/388300160.db2.gz UYWWQORMVWWDRF-UHFFFAOYSA-N 1 2 236.359 1.636 20 30 BDEDLO C#CC[N@H+](CC(=O)NCCC(C)(C)C)C1CC1 ZINC000491516648 388300161 /nfs/dbraw/zinc/30/01/61/388300161.db2.gz UYWWQORMVWWDRF-UHFFFAOYSA-N 1 2 236.359 1.636 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000491616646 388304912 /nfs/dbraw/zinc/30/49/12/388304912.db2.gz BBZFGDCBAXNYMG-LLVKDONJSA-N 1 2 241.294 1.357 20 30 BDEDLO C#CCN(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000491620199 388305339 /nfs/dbraw/zinc/30/53/39/388305339.db2.gz GTEGFXDVRVMQBY-SREVYHEPSA-N 1 2 217.272 1.008 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000491628214 388306023 /nfs/dbraw/zinc/30/60/23/388306023.db2.gz UYGYJHBHQKYOSP-KBPBESRZSA-N 1 2 231.295 1.054 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000491628214 388306024 /nfs/dbraw/zinc/30/60/24/388306024.db2.gz UYGYJHBHQKYOSP-KBPBESRZSA-N 1 2 231.295 1.054 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491652148 388308035 /nfs/dbraw/zinc/30/80/35/388308035.db2.gz ACJUJYJQYNJIIL-UHFFFAOYSA-N 1 2 229.239 1.531 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491652148 388308036 /nfs/dbraw/zinc/30/80/36/388308036.db2.gz ACJUJYJQYNJIIL-UHFFFAOYSA-N 1 2 229.239 1.531 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CC1CCC(=O)CC1 ZINC000491659361 388308709 /nfs/dbraw/zinc/30/87/09/388308709.db2.gz COWHNMHVZJIBJY-LBPRGKRZSA-N 1 2 221.300 1.080 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CC1CCC(=O)CC1 ZINC000491659361 388308710 /nfs/dbraw/zinc/30/87/10/388308710.db2.gz COWHNMHVZJIBJY-LBPRGKRZSA-N 1 2 221.300 1.080 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccncc1C ZINC000491664023 388309249 /nfs/dbraw/zinc/30/92/49/388309249.db2.gz QAQYLLGXUIYUKT-AWEZNQCLSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccncc1C ZINC000491664023 388309250 /nfs/dbraw/zinc/30/92/50/388309250.db2.gz QAQYLLGXUIYUKT-AWEZNQCLSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](CCC)CC1=O ZINC000491692508 388311347 /nfs/dbraw/zinc/31/13/47/388311347.db2.gz IOBHZEBOYIQGPR-NWDGAFQWSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](CCC)CC1=O ZINC000491692508 388311348 /nfs/dbraw/zinc/31/13/48/388311348.db2.gz IOBHZEBOYIQGPR-NWDGAFQWSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000491692510 388311589 /nfs/dbraw/zinc/31/15/89/388311589.db2.gz IOBHZEBOYIQGPR-RYUDHWBXSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000491692510 388311590 /nfs/dbraw/zinc/31/15/90/388311590.db2.gz IOBHZEBOYIQGPR-RYUDHWBXSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000491693018 388311593 /nfs/dbraw/zinc/31/15/93/388311593.db2.gz CHTVUJDBHXYRJF-ZWNOBZJWSA-N 1 2 236.315 1.073 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000491693018 388311594 /nfs/dbraw/zinc/31/15/94/388311594.db2.gz CHTVUJDBHXYRJF-ZWNOBZJWSA-N 1 2 236.315 1.073 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000491703972 388313077 /nfs/dbraw/zinc/31/30/77/388313077.db2.gz TXJZDUJHCDOKQJ-MRVPVSSYSA-N 1 2 236.275 1.319 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000491703972 388313078 /nfs/dbraw/zinc/31/30/78/388313078.db2.gz TXJZDUJHCDOKQJ-MRVPVSSYSA-N 1 2 236.275 1.319 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1c(C)nnn1CC ZINC000491752087 388317824 /nfs/dbraw/zinc/31/78/24/388317824.db2.gz VOSWYKWPJFXGFS-VIFPVBQESA-N 1 2 206.293 1.060 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1c(C)nnn1CC ZINC000491752087 388317825 /nfs/dbraw/zinc/31/78/25/388317825.db2.gz VOSWYKWPJFXGFS-VIFPVBQESA-N 1 2 206.293 1.060 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCC(=O)CC ZINC000491754677 388318200 /nfs/dbraw/zinc/31/82/00/388318200.db2.gz USJHRKXWYXTRME-LLVKDONJSA-N 1 2 209.289 1.080 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCC(=O)CC ZINC000491754677 388318201 /nfs/dbraw/zinc/31/82/01/388318201.db2.gz USJHRKXWYXTRME-LLVKDONJSA-N 1 2 209.289 1.080 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000491776063 388319870 /nfs/dbraw/zinc/31/98/70/388319870.db2.gz FMZJSTDLBYGODG-NSHDSACASA-N 1 2 241.298 1.251 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000491776063 388319871 /nfs/dbraw/zinc/31/98/71/388319871.db2.gz FMZJSTDLBYGODG-NSHDSACASA-N 1 2 241.298 1.251 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC2(CCCC2)OC1=O ZINC000491788167 388321175 /nfs/dbraw/zinc/32/11/75/388321175.db2.gz XBMHPMQRPNANTQ-NSHDSACASA-N 1 2 236.315 1.662 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC2(CCCC2)OC1=O ZINC000491788167 388321176 /nfs/dbraw/zinc/32/11/76/388321176.db2.gz XBMHPMQRPNANTQ-NSHDSACASA-N 1 2 236.315 1.662 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000491819760 388323836 /nfs/dbraw/zinc/32/38/36/388323836.db2.gz VQXSEBBYFGUBJG-GFCCVEGCSA-N 1 2 245.326 1.862 20 30 BDEDLO CCN(CC#N)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492409652 388343676 /nfs/dbraw/zinc/34/36/76/388343676.db2.gz PZQNFOGCKKITBI-AATRIKPKSA-N 1 2 232.287 1.288 20 30 BDEDLO CC(C)(CC#N)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000519647613 256655555 /nfs/dbraw/zinc/65/55/55/256655555.db2.gz LPKROJDGNICEND-UHFFFAOYSA-N 1 2 237.347 1.384 20 30 BDEDLO Cn1nc2c(c1C[NH2+]CCC#N)CCCC2 ZINC000572954175 388398037 /nfs/dbraw/zinc/39/80/37/388398037.db2.gz HUPHDZBRRUPTGN-UHFFFAOYSA-N 1 2 218.304 1.302 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC=CCC1 ZINC000515575894 256750460 /nfs/dbraw/zinc/75/04/60/256750460.db2.gz XQGPXRNSYCAQRJ-YPMHNXCESA-N 1 2 235.331 1.303 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000548460739 388540955 /nfs/dbraw/zinc/54/09/55/388540955.db2.gz LIAUVKFPRQNAKA-LLVKDONJSA-N 1 2 235.331 1.681 20 30 BDEDLO Cc1cc(NC(=O)N[C@H](C)CC#N)c(C)c[nH+]1 ZINC000547833492 388490625 /nfs/dbraw/zinc/49/06/25/388490625.db2.gz WTDVUZROWFZQRX-SECBINFHSA-N 1 2 232.287 1.544 20 30 BDEDLO CC(C)OCCN1CC[NH+](CCCC#N)CC1 ZINC000081638559 388587337 /nfs/dbraw/zinc/58/73/37/388587337.db2.gz NSJRWPDTDGRMRA-UHFFFAOYSA-N 1 2 239.363 1.333 20 30 BDEDLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356385518 388607125 /nfs/dbraw/zinc/60/71/25/388607125.db2.gz FGNNHZLMFLFMSF-IUCAKERBSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356385518 388607126 /nfs/dbraw/zinc/60/71/26/388607126.db2.gz FGNNHZLMFLFMSF-IUCAKERBSA-N 1 2 237.328 1.217 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C(C)C ZINC000245901748 388609830 /nfs/dbraw/zinc/60/98/30/388609830.db2.gz UGTAIHZEGYUBJV-VXGBXAGGSA-N 1 2 239.363 1.723 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C(C)C ZINC000245901748 388609832 /nfs/dbraw/zinc/60/98/32/388609832.db2.gz UGTAIHZEGYUBJV-VXGBXAGGSA-N 1 2 239.363 1.723 20 30 BDEDLO CNc1ccc(Nc2ccc(C#N)nn2)c[nH+]1 ZINC000301916447 388616511 /nfs/dbraw/zinc/61/65/11/388616511.db2.gz JDTSLCCMHLMGHR-UHFFFAOYSA-N 1 2 226.243 1.529 20 30 BDEDLO Cn1ccc(C[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000113125905 388673562 /nfs/dbraw/zinc/67/35/62/388673562.db2.gz NIORRILCUWZWQZ-UHFFFAOYSA-N 1 2 244.273 1.721 20 30 BDEDLO C[C@H]1C[N@H+](CCNc2ncccc2C#N)CCO1 ZINC000523463822 388677517 /nfs/dbraw/zinc/67/75/17/388677517.db2.gz YQSXXMOKHJPZAT-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1C[N@@H+](CCNc2ncccc2C#N)CCO1 ZINC000523463822 388677520 /nfs/dbraw/zinc/67/75/20/388677520.db2.gz YQSXXMOKHJPZAT-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO CCOc1ccc(NC(=O)C[NH2+]CCC#N)cc1 ZINC000551341471 388626261 /nfs/dbraw/zinc/62/62/61/388626261.db2.gz PQCRAECYEPGIBB-UHFFFAOYSA-N 1 2 247.298 1.527 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)nc1 ZINC000515495881 388649301 /nfs/dbraw/zinc/64/93/01/388649301.db2.gz JWRYTUZJAOOZHC-ZIAGYGMSSA-N 1 2 243.310 1.707 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)nc1 ZINC000515495881 388649305 /nfs/dbraw/zinc/64/93/05/388649305.db2.gz JWRYTUZJAOOZHC-ZIAGYGMSSA-N 1 2 243.310 1.707 20 30 BDEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(C#N)o1 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COc1cc[nH+]cc1CNc1nccnc1C#N ZINC000431417221 388731551 /nfs/dbraw/zinc/73/15/51/388731551.db2.gz XXGPTWJXOARLIX-UHFFFAOYSA-N 1 2 241.254 1.364 20 30 BDEDLO C=C(CC)C[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000540202094 388800458 /nfs/dbraw/zinc/80/04/58/388800458.db2.gz HRYSTJJSBGZYJP-LLVKDONJSA-N 1 2 243.372 1.933 20 30 BDEDLO C=C(CC)C[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000540202094 388800460 /nfs/dbraw/zinc/80/04/60/388800460.db2.gz HRYSTJJSBGZYJP-LLVKDONJSA-N 1 2 243.372 1.933 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ncn(C)n1 ZINC000391858891 388785723 /nfs/dbraw/zinc/78/57/23/388785723.db2.gz NYKHGFBVXFCPNF-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000565408678 388942473 /nfs/dbraw/zinc/94/24/73/388942473.db2.gz VYQYVYOLXAKKDQ-RNCFNFMXSA-N 1 2 240.266 1.823 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363179147 533501265 /nfs/dbraw/zinc/50/12/65/533501265.db2.gz GJWPGDFZUMJDEO-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO Cc1cc(C#N)cc(N2CCn3c[nH+]cc3C2)n1 ZINC000377993076 132290327 /nfs/dbraw/zinc/29/03/27/132290327.db2.gz RRCRGDKNCKGRMQ-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330302492 134001329 /nfs/dbraw/zinc/00/13/29/134001329.db2.gz JMXWIKMTMRBIJO-MFKMUULPSA-N 1 2 249.314 1.581 20 30 BDEDLO Cc1[nH]nc2ncc(C[N@@H+](C)C[C@H](C)C#N)cc12 ZINC000352086604 134061257 /nfs/dbraw/zinc/06/12/57/134061257.db2.gz FMVXOMGJRXYFFP-SECBINFHSA-N 1 2 243.314 1.858 20 30 BDEDLO Cc1[nH]nc2ncc(C[N@H+](C)C[C@H](C)C#N)cc12 ZINC000352086604 134061258 /nfs/dbraw/zinc/06/12/58/134061258.db2.gz FMVXOMGJRXYFFP-SECBINFHSA-N 1 2 243.314 1.858 20 30 BDEDLO CC(=O)N1CC[N@H+](CC2(C#N)CCC2)[C@H](C)C1 ZINC000336186709 134121775 /nfs/dbraw/zinc/12/17/75/134121775.db2.gz UGDRRIKBYAAZIV-LLVKDONJSA-N 1 2 235.331 1.233 20 30 BDEDLO CC(=O)N1CC[N@@H+](CC2(C#N)CCC2)[C@H](C)C1 ZINC000336186709 134121776 /nfs/dbraw/zinc/12/17/76/134121776.db2.gz UGDRRIKBYAAZIV-LLVKDONJSA-N 1 2 235.331 1.233 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336436136 134146973 /nfs/dbraw/zinc/14/69/73/134146973.db2.gz CSBUWGYDUUWVNK-ZANVPECISA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336436136 134146974 /nfs/dbraw/zinc/14/69/74/134146974.db2.gz CSBUWGYDUUWVNK-ZANVPECISA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336436134 134147291 /nfs/dbraw/zinc/14/72/91/134147291.db2.gz CSBUWGYDUUWVNK-RNCFNFMXSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336436134 134147292 /nfs/dbraw/zinc/14/72/92/134147292.db2.gz CSBUWGYDUUWVNK-RNCFNFMXSA-N 1 2 246.314 1.323 20 30 BDEDLO CC#CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620715 134149732 /nfs/dbraw/zinc/14/97/32/134149732.db2.gz HGUXFZRXUVLDFO-UHFFFAOYSA-N 1 2 246.266 1.813 20 30 BDEDLO CC#CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620715 134149733 /nfs/dbraw/zinc/14/97/33/134149733.db2.gz 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/nfs/dbraw/zinc/16/59/22/134165922.db2.gz FAKHMJSZMHCLGD-UHFFFAOYSA-N 1 2 206.293 1.700 20 30 BDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCC#N ZINC000354981869 134171380 /nfs/dbraw/zinc/17/13/80/134171380.db2.gz LMCXCDRLFOZWJQ-UHFFFAOYSA-N 1 2 242.282 1.375 20 30 BDEDLO C=CCCC1(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000355981410 134176369 /nfs/dbraw/zinc/17/63/69/134176369.db2.gz HOWVHBYAGHZFJK-UHFFFAOYSA-N 1 2 245.326 1.972 20 30 BDEDLO N#CCC1(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000357669484 134184954 /nfs/dbraw/zinc/18/49/54/134184954.db2.gz DLAXFHDPDQRMSF-UHFFFAOYSA-N 1 2 232.287 1.152 20 30 BDEDLO N#CCSCC(=O)Nc1cccc2[nH+]ccn21 ZINC000358787586 134192610 /nfs/dbraw/zinc/19/26/10/134192610.db2.gz ZTZDKZTZHKWQAD-UHFFFAOYSA-N 1 2 246.295 1.530 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ncccc2C1 ZINC000368635471 134219605 /nfs/dbraw/zinc/21/96/05/134219605.db2.gz RPLMHTLRBLVUBU-NSHDSACASA-N 1 2 245.326 1.130 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ncccc2C1 ZINC000368635471 134219606 /nfs/dbraw/zinc/21/96/06/134219606.db2.gz RPLMHTLRBLVUBU-NSHDSACASA-N 1 2 245.326 1.130 20 30 BDEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCC#N)C1 ZINC000368836988 134220699 /nfs/dbraw/zinc/22/06/99/134220699.db2.gz YUWWGSGUGCSQEH-LBPRGKRZSA-N 1 2 249.314 1.796 20 30 BDEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCC#N)C1 ZINC000368836988 134220700 /nfs/dbraw/zinc/22/07/00/134220700.db2.gz YUWWGSGUGCSQEH-LBPRGKRZSA-N 1 2 249.314 1.796 20 30 BDEDLO Cc1cccc(NC[C@H]2CCCN2CC#N)[nH+]1 ZINC000369510715 134222754 /nfs/dbraw/zinc/22/27/54/134222754.db2.gz IFJHPHFFEOMOHF-GFCCVEGCSA-N 1 2 230.315 1.790 20 30 BDEDLO CCCN(CC#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370141806 134224519 /nfs/dbraw/zinc/22/45/19/134224519.db2.gz VFBXHPMKJJEVCP-JTQLQIEISA-N 1 2 246.314 1.592 20 30 BDEDLO C#CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000371188478 134227498 /nfs/dbraw/zinc/22/74/98/134227498.db2.gz LGCAOTQTYYWTAA-SNVBAGLBSA-N 1 2 249.339 1.569 20 30 BDEDLO C#CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000371188478 134227499 /nfs/dbraw/zinc/22/74/99/134227499.db2.gz LGCAOTQTYYWTAA-SNVBAGLBSA-N 1 2 249.339 1.569 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372988108 134233091 /nfs/dbraw/zinc/23/30/91/134233091.db2.gz BHVJGLCOQGWAFE-UHFFFAOYSA-N 1 2 205.305 1.837 20 30 BDEDLO C=CC[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372988108 134233092 /nfs/dbraw/zinc/23/30/92/134233092.db2.gz BHVJGLCOQGWAFE-UHFFFAOYSA-N 1 2 205.305 1.837 20 30 BDEDLO C=CCN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372988108 134233093 /nfs/dbraw/zinc/23/30/93/134233093.db2.gz BHVJGLCOQGWAFE-UHFFFAOYSA-N 1 2 205.305 1.837 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000376810618 134243412 /nfs/dbraw/zinc/24/34/12/134243412.db2.gz JSCQNSAMRBFFMB-GFCCVEGCSA-N 1 2 245.326 1.938 20 30 BDEDLO CN(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000219513855 134285251 /nfs/dbraw/zinc/28/52/51/134285251.db2.gz WDDIURLFCNZDIZ-UHFFFAOYSA-N 1 2 249.289 1.217 20 30 BDEDLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000219513855 134285252 /nfs/dbraw/zinc/28/52/52/134285252.db2.gz WDDIURLFCNZDIZ-UHFFFAOYSA-N 1 2 249.289 1.217 20 30 BDEDLO C=CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712443 134301530 /nfs/dbraw/zinc/30/15/30/134301530.db2.gz ULYPPCBJGHNZJH-UHFFFAOYSA-N 1 2 230.271 1.320 20 30 BDEDLO Cc1cncc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000227301270 134377796 /nfs/dbraw/zinc/37/77/96/134377796.db2.gz LKZOCMFGOKKWQV-NSHDSACASA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cncc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000227301270 134377797 /nfs/dbraw/zinc/37/77/97/134377797.db2.gz LKZOCMFGOKKWQV-NSHDSACASA-N 1 2 203.289 1.982 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000337147836 135002590 /nfs/dbraw/zinc/00/25/90/135002590.db2.gz ZLBQYPQNORZDJS-GFCCVEGCSA-N 1 2 234.299 1.498 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000337147836 135002592 /nfs/dbraw/zinc/00/25/92/135002592.db2.gz ZLBQYPQNORZDJS-GFCCVEGCSA-N 1 2 234.299 1.498 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](CCC#N)CC2CC2)C1=O ZINC000337196977 135003844 /nfs/dbraw/zinc/00/38/44/135003844.db2.gz WTAZNUADFRTTQD-ZDUSSCGKSA-N 1 2 247.342 1.399 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](CCC#N)CC2CC2)C1=O ZINC000337196977 135003846 /nfs/dbraw/zinc/00/38/46/135003846.db2.gz WTAZNUADFRTTQD-ZDUSSCGKSA-N 1 2 247.342 1.399 20 30 BDEDLO Cc1[nH]c(C(=O)NCC#Cc2ccccc2)c[nH+]1 ZINC000339261652 135068459 /nfs/dbraw/zinc/06/84/59/135068459.db2.gz LKKPEDLGYDLUJF-UHFFFAOYSA-N 1 2 239.278 1.500 20 30 BDEDLO CC#CCC[N@H+]1C[C@@H](O)C[C@@H]1c1nc(CC)no1 ZINC000366399553 135074746 /nfs/dbraw/zinc/07/47/46/135074746.db2.gz VOVZWMSUVLNJDS-WDEREUQCSA-N 1 2 249.314 1.153 20 30 BDEDLO CC#CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(CC)no1 ZINC000366399553 135074748 /nfs/dbraw/zinc/07/47/48/135074748.db2.gz VOVZWMSUVLNJDS-WDEREUQCSA-N 1 2 249.314 1.153 20 30 BDEDLO C=CC[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC ZINC000113000725 135088333 /nfs/dbraw/zinc/08/83/33/135088333.db2.gz ZDIRRPXPBHWNSX-JTQLQIEISA-N 1 2 219.350 1.318 20 30 BDEDLO C=CC[N@H+](CC)[C@@H](C)CS(=O)(=O)CC ZINC000113000725 135088334 /nfs/dbraw/zinc/08/83/34/135088334.db2.gz ZDIRRPXPBHWNSX-JTQLQIEISA-N 1 2 219.350 1.318 20 30 BDEDLO CCN(CC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000264013043 135129363 /nfs/dbraw/zinc/12/93/63/135129363.db2.gz PCDXFYWQOOCJMM-UHFFFAOYSA-N 1 2 228.255 1.320 20 30 BDEDLO C[C@@H](CC#N)N(C)c1[nH+]cnc2[nH]ccc21 ZINC000267435951 135154434 /nfs/dbraw/zinc/15/44/34/135154434.db2.gz XUVYMSILWRTGEL-QMMMGPOBSA-N 1 2 215.260 1.696 20 30 BDEDLO Oc1cccc(/C=[NH+]/[C@H]2CC[C@H](O)CC2)c1O ZINC000269992231 135168582 /nfs/dbraw/zinc/16/85/82/135168582.db2.gz SULFRNNUAZDXBF-XXLUSTPNSA-N 1 2 235.283 1.820 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]1(C#N)CC1(C)C ZINC000292624963 135177546 /nfs/dbraw/zinc/17/75/46/135177546.db2.gz YJMSOAQWYCGORJ-GFCCVEGCSA-N 1 2 232.287 1.069 20 30 BDEDLO C=CC[NH+](CC=C)[C@H](C(=O)OC)C1CC1 ZINC000084094651 135185890 /nfs/dbraw/zinc/18/58/90/135185890.db2.gz ACRRVDJAYXCXGB-NSHDSACASA-N 1 2 209.289 1.612 20 30 BDEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCOC2)c1O ZINC000298440729 135199015 /nfs/dbraw/zinc/19/90/15/135199015.db2.gz VCSKJMQRUGZWSX-PBJWJZLWSA-N 1 2 221.256 1.553 20 30 BDEDLO N#CCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000298827574 135201109 /nfs/dbraw/zinc/20/11/09/135201109.db2.gz GQQVWEHAKPVZED-NSHDSACASA-N 1 2 224.691 1.877 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000299155587 135201817 /nfs/dbraw/zinc/20/18/17/135201817.db2.gz HPFSOVOGHWCROM-QWHCGFSZSA-N 1 2 249.358 1.667 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000299155587 135201819 /nfs/dbraw/zinc/20/18/19/135201819.db2.gz HPFSOVOGHWCROM-QWHCGFSZSA-N 1 2 249.358 1.667 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CC1 ZINC000042449501 135220417 /nfs/dbraw/zinc/22/04/17/135220417.db2.gz FBRAUSAHDUYBJJ-ZJUUUORDSA-N 1 2 223.320 1.135 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CC1 ZINC000042449501 135220419 /nfs/dbraw/zinc/22/04/19/135220419.db2.gz FBRAUSAHDUYBJJ-ZJUUUORDSA-N 1 2 223.320 1.135 20 30 BDEDLO C=CCOCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341721927 135242164 /nfs/dbraw/zinc/24/21/64/135242164.db2.gz UJANPPSBDZNQPT-LBPRGKRZSA-N 1 2 249.314 1.190 20 30 BDEDLO Cc1ccc(C#N)c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000342407961 135272212 /nfs/dbraw/zinc/27/22/12/135272212.db2.gz AEHFCYXFETWNCG-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO Cc1c[nH+]c(CN2CCC(C#N)CC2)n1C ZINC000342774724 135327518 /nfs/dbraw/zinc/32/75/18/135327518.db2.gz GNEMIXVEPQBFRZ-UHFFFAOYSA-N 1 2 218.304 1.464 20 30 BDEDLO C=C(C)C[N@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284225234 135372254 /nfs/dbraw/zinc/37/22/54/135372254.db2.gz JZGJBRKKMRRHLP-SECBINFHSA-N 1 2 221.308 1.110 20 30 BDEDLO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284225234 135372255 /nfs/dbraw/zinc/37/22/55/135372255.db2.gz JZGJBRKKMRRHLP-SECBINFHSA-N 1 2 221.308 1.110 20 30 BDEDLO COC(=O)[C@H]1CCCC[N@@H+]1CCCC#N ZINC000078779680 135395684 /nfs/dbraw/zinc/39/56/84/135395684.db2.gz XSBHDJYSVKNVDV-SNVBAGLBSA-N 1 2 210.277 1.318 20 30 BDEDLO COC(=O)[C@H]1CCCC[N@H+]1CCCC#N ZINC000078779680 135395685 /nfs/dbraw/zinc/39/56/85/135395685.db2.gz XSBHDJYSVKNVDV-SNVBAGLBSA-N 1 2 210.277 1.318 20 30 BDEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000334426627 135398102 /nfs/dbraw/zinc/39/81/02/135398102.db2.gz VZFNJHVUOFDIQC-GFCCVEGCSA-N 1 2 235.331 1.976 20 30 BDEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000334426627 135398103 /nfs/dbraw/zinc/39/81/03/135398103.db2.gz VZFNJHVUOFDIQC-GFCCVEGCSA-N 1 2 235.331 1.976 20 30 BDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccccc1 ZINC000192175134 135566703 /nfs/dbraw/zinc/56/67/03/135566703.db2.gz JQFUJNTWACQCPF-SUMWQHHRSA-N 1 2 249.379 1.737 20 30 BDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccccc1 ZINC000192175134 135566706 /nfs/dbraw/zinc/56/67/06/135566706.db2.gz JQFUJNTWACQCPF-SUMWQHHRSA-N 1 2 249.379 1.737 20 30 BDEDLO C=C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335322577 136050449 /nfs/dbraw/zinc/05/04/49/136050449.db2.gz AFTFZKPOGYFZKH-GFCCVEGCSA-N 1 2 245.326 1.624 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000335368296 136082444 /nfs/dbraw/zinc/08/24/44/136082444.db2.gz MSGNFCZRBLKORE-TXEJJXNPSA-N 1 2 218.256 1.514 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000335368296 136082445 /nfs/dbraw/zinc/08/24/45/136082445.db2.gz MSGNFCZRBLKORE-TXEJJXNPSA-N 1 2 218.256 1.514 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@H](C(N)=O)C1 ZINC000190151860 397865533 /nfs/dbraw/zinc/86/55/33/397865533.db2.gz KGZWVZLRFGWSQF-SKDRFNHKSA-N 1 2 247.298 1.237 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H](C(N)=O)C1 ZINC000190151860 397865538 /nfs/dbraw/zinc/86/55/38/397865538.db2.gz KGZWVZLRFGWSQF-SKDRFNHKSA-N 1 2 247.298 1.237 20 30 BDEDLO C=CCC[C@@H](CC)[NH2+][C@H](COC)C(=O)OC ZINC000310013255 397875324 /nfs/dbraw/zinc/87/53/24/397875324.db2.gz JQDDKSGPOPZCCL-GHMZBOCLSA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@@H]1[N@H+](Cc2nnn(C)n2)CCCC1(C)C ZINC000440527906 397931541 /nfs/dbraw/zinc/93/15/41/397931541.db2.gz CPINSJJGNYYHDI-NSHDSACASA-N 1 2 249.362 1.777 20 30 BDEDLO C=CC[C@@H]1[N@@H+](Cc2nnn(C)n2)CCCC1(C)C ZINC000440527906 397931544 /nfs/dbraw/zinc/93/15/44/397931544.db2.gz CPINSJJGNYYHDI-NSHDSACASA-N 1 2 249.362 1.777 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140222 397945693 /nfs/dbraw/zinc/94/56/93/397945693.db2.gz XDUAZGHQHHIUPQ-QWHCGFSZSA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140222 397945696 /nfs/dbraw/zinc/94/56/96/397945696.db2.gz XDUAZGHQHHIUPQ-QWHCGFSZSA-N 1 2 246.310 1.599 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1c[nH+]ccc1OC ZINC000593725770 397960949 /nfs/dbraw/zinc/96/09/49/397960949.db2.gz VGLANQGXWCNFPA-VIFPVBQESA-N 1 2 233.271 1.256 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C#N)cc1 ZINC000336541903 397908561 /nfs/dbraw/zinc/90/85/61/397908561.db2.gz ALKRJXLZPRQRPK-UHFFFAOYSA-N 1 2 212.256 1.918 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccnc(C#N)c1 ZINC000309574369 397914632 /nfs/dbraw/zinc/91/46/32/397914632.db2.gz OHBIEXLXSMZEBP-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=C)Br ZINC000307209807 397990463 /nfs/dbraw/zinc/99/04/63/397990463.db2.gz PNVSWIWXZVNHEJ-MRVPVSSYSA-N 1 2 202.095 1.849 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=C)Br ZINC000307209807 397990465 /nfs/dbraw/zinc/99/04/65/397990465.db2.gz PNVSWIWXZVNHEJ-MRVPVSSYSA-N 1 2 202.095 1.849 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1nc(C)ccc1O ZINC000491675595 398059625 /nfs/dbraw/zinc/05/96/25/398059625.db2.gz URDCVAGUPSZDMA-UHFFFAOYSA-N 1 2 228.295 1.554 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1nc(C)ccc1O ZINC000491675595 398059626 /nfs/dbraw/zinc/05/96/26/398059626.db2.gz URDCVAGUPSZDMA-UHFFFAOYSA-N 1 2 228.295 1.554 20 30 BDEDLO Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)c(C)c[nH+]1 ZINC000582826388 398051300 /nfs/dbraw/zinc/05/13/00/398051300.db2.gz UNUDEADSTQHFQL-RNCFNFMXSA-N 1 2 229.283 1.609 20 30 BDEDLO CCN(CCC#N)C(=O)CCn1cc[nH+]c1 ZINC000264929487 398102740 /nfs/dbraw/zinc/10/27/40/398102740.db2.gz NEPKRMHMTYBISJ-UHFFFAOYSA-N 1 2 220.276 1.035 20 30 BDEDLO Cc1ccsc1[C@@H](CO)[NH2+]CCC#N ZINC000569340393 398105999 /nfs/dbraw/zinc/10/59/99/398105999.db2.gz JTENWQRAYTZRLZ-SECBINFHSA-N 1 2 210.302 1.593 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000192238715 398107415 /nfs/dbraw/zinc/10/74/15/398107415.db2.gz DEJGDIIXHMIKCO-QWHCGFSZSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000192238715 398107416 /nfs/dbraw/zinc/10/74/16/398107416.db2.gz DEJGDIIXHMIKCO-QWHCGFSZSA-N 1 2 236.359 1.589 20 30 BDEDLO CC[N@@H+](CC(=O)NCC1CCC1)C[C@H](C)C#N ZINC000066496440 398123809 /nfs/dbraw/zinc/12/38/09/398123809.db2.gz PBRIWVKIUMNCQP-LLVKDONJSA-N 1 2 237.347 1.384 20 30 BDEDLO CC[N@H+](CC(=O)NCC1CCC1)C[C@H](C)C#N ZINC000066496440 398123813 /nfs/dbraw/zinc/12/38/13/398123813.db2.gz PBRIWVKIUMNCQP-LLVKDONJSA-N 1 2 237.347 1.384 20 30 BDEDLO C=C[C@](C)(O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000685734089 487575420 /nfs/dbraw/zinc/57/54/20/487575420.db2.gz OHOSLFSMJOOLMX-ZDUSSCGKSA-N 1 2 245.282 1.600 20 30 BDEDLO C[C@H](CCCC#N)[N@@H+]1Cc2cnn(C)c2C1 ZINC001172504583 974859610 /nfs/dbraw/zinc/85/96/10/974859610.db2.gz HJIWFTSOONSJOB-SNVBAGLBSA-N 1 2 218.304 1.818 20 30 BDEDLO C[C@H](CCCC#N)[N@H+]1Cc2cnn(C)c2C1 ZINC001172504583 974859617 /nfs/dbraw/zinc/85/96/17/974859617.db2.gz HJIWFTSOONSJOB-SNVBAGLBSA-N 1 2 218.304 1.818 20 30 BDEDLO C[N@H+](CC(=O)N1CCCC1)CC(C)(C)C#N ZINC000405199015 409791738 /nfs/dbraw/zinc/79/17/38/409791738.db2.gz QWBPWYSDAVBQTR-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCC1)CC(C)(C)C#N ZINC000405199015 409791742 /nfs/dbraw/zinc/79/17/42/409791742.db2.gz QWBPWYSDAVBQTR-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C=CC[N@H+](Cc1snnc1C)[C@@H](C)COC ZINC000661240016 410400648 /nfs/dbraw/zinc/40/06/48/410400648.db2.gz KKBTWZWRVPSUAX-VIFPVBQESA-N 1 2 241.360 1.869 20 30 BDEDLO C=CC[N@@H+](Cc1snnc1C)[C@@H](C)COC ZINC000661240016 410400654 /nfs/dbraw/zinc/40/06/54/410400654.db2.gz KKBTWZWRVPSUAX-VIFPVBQESA-N 1 2 241.360 1.869 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)N1CCc2ccccc21 ZINC000266941189 166165958 /nfs/dbraw/zinc/16/59/58/166165958.db2.gz RAWDGCIZVSLXBR-UHFFFAOYSA-N 1 2 242.322 1.531 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)N1CCc2ccccc21 ZINC000266941189 166165960 /nfs/dbraw/zinc/16/59/60/166165960.db2.gz RAWDGCIZVSLXBR-UHFFFAOYSA-N 1 2 242.322 1.531 20 30 BDEDLO C#CC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000173816720 166190198 /nfs/dbraw/zinc/19/01/98/166190198.db2.gz WSGGEXLEVYPPCQ-NSHDSACASA-N 1 2 241.294 1.944 20 30 BDEDLO C=CCCCN(C)c1[nH+]cnc2c1cnn2C ZINC000172581918 166235270 /nfs/dbraw/zinc/23/52/70/166235270.db2.gz HKJDWODGUROPRY-UHFFFAOYSA-N 1 2 231.303 1.766 20 30 BDEDLO C=CCCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000279322286 166236601 /nfs/dbraw/zinc/23/66/01/166236601.db2.gz PKGAUVWAVSJXLB-UHFFFAOYSA-N 1 2 236.319 1.528 20 30 BDEDLO C=CCCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000276476104 166249892 /nfs/dbraw/zinc/24/98/92/166249892.db2.gz YBKJZYPLBXMVQN-UHFFFAOYSA-N 1 2 243.310 1.911 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnnn1CC(F)(F)F ZINC000276983356 166260362 /nfs/dbraw/zinc/26/03/62/166260362.db2.gz AMUSIHDUNMPSRI-UHFFFAOYSA-N 1 2 249.240 1.243 20 30 BDEDLO C=CCC[N@H+](C)Cc1nnnn1CC(F)(F)F ZINC000276983356 166260366 /nfs/dbraw/zinc/26/03/66/166260366.db2.gz AMUSIHDUNMPSRI-UHFFFAOYSA-N 1 2 249.240 1.243 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000121136770 166320777 /nfs/dbraw/zinc/32/07/77/166320777.db2.gz AWROBXPZZLIYBT-UHFFFAOYSA-N 1 2 235.312 1.676 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000121136770 166320779 /nfs/dbraw/zinc/32/07/79/166320779.db2.gz AWROBXPZZLIYBT-UHFFFAOYSA-N 1 2 235.312 1.676 20 30 BDEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OC)no1)C1CC1 ZINC000271370247 166348464 /nfs/dbraw/zinc/34/84/64/166348464.db2.gz GSUSCBXGXFKVDS-SECBINFHSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[N@H+](Cc1nc([C@@H](C)OC)no1)C1CC1 ZINC000271370247 166348466 /nfs/dbraw/zinc/34/84/66/166348466.db2.gz GSUSCBXGXFKVDS-SECBINFHSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483756 166382728 /nfs/dbraw/zinc/38/27/28/166382728.db2.gz JADKINRMVKCVCM-SNVBAGLBSA-N 1 2 239.294 1.005 20 30 BDEDLO C=C(C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000650930215 410609063 /nfs/dbraw/zinc/60/90/63/410609063.db2.gz ROBCXIXWFGCOCK-UHFFFAOYSA-N 1 2 221.304 1.746 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000192232655 411186110 /nfs/dbraw/zinc/18/61/10/411186110.db2.gz REDSPHSQSWJAKA-CYBMUJFWSA-N 1 2 230.311 1.381 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000192232655 411186114 /nfs/dbraw/zinc/18/61/14/411186114.db2.gz REDSPHSQSWJAKA-CYBMUJFWSA-N 1 2 230.311 1.381 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000192229831 411186134 /nfs/dbraw/zinc/18/61/34/411186134.db2.gz SZDRBACKFJTXHI-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000192229831 411186139 /nfs/dbraw/zinc/18/61/39/411186139.db2.gz SZDRBACKFJTXHI-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C=CCCOCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652411049 411232356 /nfs/dbraw/zinc/23/23/56/411232356.db2.gz WRAYEGZZAYYBID-UHFFFAOYSA-N 1 2 237.303 1.354 20 30 BDEDLO C=CCC[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658158681 411272576 /nfs/dbraw/zinc/27/25/76/411272576.db2.gz JDRRZPGITXMASQ-VIFPVBQESA-N 1 2 224.308 1.395 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC000662165460 411370335 /nfs/dbraw/zinc/37/03/35/411370335.db2.gz HDMIUSFXCFETTO-IONNQARKSA-N 1 2 223.276 1.145 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1cc(-c2ccco2)on1 ZINC000662167948 411372409 /nfs/dbraw/zinc/37/24/09/411372409.db2.gz UMFBRGCKTSKOHN-SECBINFHSA-N 1 2 234.255 1.571 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)C2CC2)nn1 ZINC000653496168 411394222 /nfs/dbraw/zinc/39/42/22/411394222.db2.gz HMIJFMRPHOXPKW-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)C2CC2)nn1 ZINC000653496168 411394227 /nfs/dbraw/zinc/39/42/27/411394227.db2.gz HMIJFMRPHOXPKW-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)[C@@H]2CCOC2)nn1 ZINC000653554518 411420561 /nfs/dbraw/zinc/42/05/61/411420561.db2.gz IHBJTNLBBWWIJJ-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)[C@@H]2CCOC2)nn1 ZINC000653554518 411420562 /nfs/dbraw/zinc/42/05/62/411420562.db2.gz IHBJTNLBBWWIJJ-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO CCOC(=O)C[N@H+](CCCC#N)C1CC1 ZINC000049573419 170216546 /nfs/dbraw/zinc/21/65/46/170216546.db2.gz AMJCMYYWMTZZSL-UHFFFAOYSA-N 1 2 210.277 1.318 20 30 BDEDLO CCOC(=O)C[N@@H+](CCCC#N)C1CC1 ZINC000049573419 170216547 /nfs/dbraw/zinc/21/65/47/170216547.db2.gz AMJCMYYWMTZZSL-UHFFFAOYSA-N 1 2 210.277 1.318 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660881879 411662154 /nfs/dbraw/zinc/66/21/54/411662154.db2.gz PSVYZVWMYURXLI-RKDXNWHRSA-N 1 2 222.292 1.355 20 30 BDEDLO N#CC1(C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000556853997 322929270 /nfs/dbraw/zinc/92/92/70/322929270.db2.gz NQZZCTUKQSCJEZ-UHFFFAOYSA-N 1 2 240.257 1.542 20 30 BDEDLO C=CCN(c1cc(CO)cc[nH+]1)C1CC1 ZINC000131911299 411688434 /nfs/dbraw/zinc/68/84/34/411688434.db2.gz JTCQXZDLFNAZDH-UHFFFAOYSA-N 1 2 204.273 1.729 20 30 BDEDLO C=CCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000661282391 411747359 /nfs/dbraw/zinc/74/73/59/411747359.db2.gz WLLNTVOARHPCLA-VHSXEESVSA-N 1 2 234.303 1.764 20 30 BDEDLO C=CCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000661570737 411806326 /nfs/dbraw/zinc/80/63/26/411806326.db2.gz RMHSTVBRBGMOQA-NSHDSACASA-N 1 2 248.330 1.495 20 30 BDEDLO Cc1cc(N2C[C@@H](C)C(=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000664308130 411918308 /nfs/dbraw/zinc/91/83/08/411918308.db2.gz MPLGUAUFQRHVDN-NXEZZACHSA-N 1 2 243.310 1.923 20 30 BDEDLO C=CC[N@@H+](Cc1nc(N(C)C)no1)C(C)(C)C ZINC000661757056 411869520 /nfs/dbraw/zinc/86/95/20/411869520.db2.gz CJTUOAWJBZKHBV-UHFFFAOYSA-N 1 2 238.335 1.922 20 30 BDEDLO C=CC[N@H+](Cc1nc(N(C)C)no1)C(C)(C)C ZINC000661757056 411869524 /nfs/dbraw/zinc/86/95/24/411869524.db2.gz CJTUOAWJBZKHBV-UHFFFAOYSA-N 1 2 238.335 1.922 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1csc([C@H](C)OC)n1 ZINC000662166818 412016673 /nfs/dbraw/zinc/01/66/73/412016673.db2.gz HWKLMHPLQKHAQD-DTWKUNHWSA-N 1 2 242.344 1.487 20 30 BDEDLO COCC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356059750 174280120 /nfs/dbraw/zinc/28/01/20/174280120.db2.gz QVMPGDVVTDYUQE-UHFFFAOYSA-N 1 2 211.290 1.093 20 30 BDEDLO COCC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356059750 174280123 /nfs/dbraw/zinc/28/01/23/174280123.db2.gz QVMPGDVVTDYUQE-UHFFFAOYSA-N 1 2 211.290 1.093 20 30 BDEDLO COCCOC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000358789717 174344724 /nfs/dbraw/zinc/34/47/24/174344724.db2.gz IRDGVNWDVAVLLG-UHFFFAOYSA-N 1 2 246.310 1.405 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CO)C1 ZINC000267331301 176012929 /nfs/dbraw/zinc/01/29/29/176012929.db2.gz AFIOMCJVOLORIV-SMDDNHRTSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CO)C1 ZINC000267331301 176012930 /nfs/dbraw/zinc/01/29/30/176012930.db2.gz AFIOMCJVOLORIV-SMDDNHRTSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@@H](C(N)=O)C1 ZINC000336530790 176168976 /nfs/dbraw/zinc/16/89/76/176168976.db2.gz WMNWKGDUZFNQGD-NXEZZACHSA-N 1 2 221.304 1.926 20 30 BDEDLO C[C@@H]1CC[N@@H+](CC2(C#N)CC2)[C@@H](C(N)=O)C1 ZINC000336530790 176168978 /nfs/dbraw/zinc/16/89/78/176168978.db2.gz WMNWKGDUZFNQGD-NXEZZACHSA-N 1 2 221.304 1.926 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1O ZINC000356318542 176178160 /nfs/dbraw/zinc/17/81/60/176178160.db2.gz LRMRHNYCRAPHLV-PSASIEDQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1O ZINC000356318542 176178161 /nfs/dbraw/zinc/17/81/61/176178161.db2.gz LRMRHNYCRAPHLV-PSASIEDQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H]1CO ZINC000356425158 177166672 /nfs/dbraw/zinc/16/66/72/177166672.db2.gz MXRQZSGDFDZCIL-WCBMZHEXSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H]1CO ZINC000356425158 177166673 /nfs/dbraw/zinc/16/66/73/177166673.db2.gz MXRQZSGDFDZCIL-WCBMZHEXSA-N 1 2 237.328 1.217 20 30 BDEDLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)C1(C#N)CCC1 ZINC000493850107 226257186 /nfs/dbraw/zinc/25/71/86/226257186.db2.gz SKOGWWGANZIGOU-ONEGZZNKSA-N 1 2 230.271 1.328 20 30 BDEDLO Cc1cc(NC[C@H]2CCCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000398948400 262772866 /nfs/dbraw/zinc/77/28/66/262772866.db2.gz APDAAIBFGIQUEP-RISCZKNCSA-N 1 2 245.326 1.647 20 30 BDEDLO COCC#CC[NH2+][C@H](C)c1c(F)cncc1F ZINC000671736895 487713096 /nfs/dbraw/zinc/71/30/96/487713096.db2.gz DHVNDGSPEPNSSB-SECBINFHSA-N 1 2 240.253 1.660 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000671741850 487717659 /nfs/dbraw/zinc/71/76/59/487717659.db2.gz YYAAWTXQFZZVRI-LLVKDONJSA-N 1 2 235.287 1.165 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000671741850 487717663 /nfs/dbraw/zinc/71/76/63/487717663.db2.gz YYAAWTXQFZZVRI-LLVKDONJSA-N 1 2 235.287 1.165 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000671741851 487717797 /nfs/dbraw/zinc/71/77/97/487717797.db2.gz YYAAWTXQFZZVRI-NSHDSACASA-N 1 2 235.287 1.165 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000671741851 487717802 /nfs/dbraw/zinc/71/78/02/487717802.db2.gz YYAAWTXQFZZVRI-NSHDSACASA-N 1 2 235.287 1.165 20 30 BDEDLO Cc1cc(NC[C@@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000399357118 267300413 /nfs/dbraw/zinc/30/04/13/267300413.db2.gz GEIAUTVGLUEVHU-LBPRGKRZSA-N 1 2 231.299 1.665 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000766273292 585500227 /nfs/dbraw/zinc/50/02/27/585500227.db2.gz XCIFZBZRPNXFNB-SECBINFHSA-N 1 2 214.696 1.046 20 30 BDEDLO C=C(Cl)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000766273292 585500228 /nfs/dbraw/zinc/50/02/28/585500228.db2.gz XCIFZBZRPNXFNB-SECBINFHSA-N 1 2 214.696 1.046 20 30 BDEDLO C=CC[N@H+](CN1CCSC1=O)C1CC1 ZINC000771641570 585598141 /nfs/dbraw/zinc/59/81/41/585598141.db2.gz MAAKLQKZHRMYAT-UHFFFAOYSA-N 1 2 212.318 1.763 20 30 BDEDLO C=CC[N@@H+](CN1CCSC1=O)C1CC1 ZINC000771641570 585598142 /nfs/dbraw/zinc/59/81/42/585598142.db2.gz MAAKLQKZHRMYAT-UHFFFAOYSA-N 1 2 212.318 1.763 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000776853755 585706190 /nfs/dbraw/zinc/70/61/90/585706190.db2.gz KAUFJTNJRUKCLP-VIFPVBQESA-N 1 2 232.755 1.974 20 30 BDEDLO Cc1nnc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)o1 ZINC000569113259 322944389 /nfs/dbraw/zinc/94/43/89/322944389.db2.gz XQLSIRKVHWLJTA-MRVPVSSYSA-N 1 2 243.270 1.548 20 30 BDEDLO CCc1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595609424 487872126 /nfs/dbraw/zinc/87/21/26/487872126.db2.gz JOYWIOXMIATNEV-SNVBAGLBSA-N 1 2 234.303 1.758 20 30 BDEDLO CCc1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595609424 487872130 /nfs/dbraw/zinc/87/21/30/487872130.db2.gz JOYWIOXMIATNEV-SNVBAGLBSA-N 1 2 234.303 1.758 20 30 BDEDLO COCC[C@@H](C)[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615636864 487955388 /nfs/dbraw/zinc/95/53/88/487955388.db2.gz CIIFRGOJOXETEF-ZJUUUORDSA-N 1 2 200.257 1.349 20 30 BDEDLO COCC[C@@H](C)[N@H+]1CC[C@](F)(C#N)C1 ZINC000615636864 487955392 /nfs/dbraw/zinc/95/53/92/487955392.db2.gz CIIFRGOJOXETEF-ZJUUUORDSA-N 1 2 200.257 1.349 20 30 BDEDLO N#Cc1cccc(S(=O)(=O)Nc2c[nH+]c[nH]2)c1 ZINC000562450328 323020472 /nfs/dbraw/zinc/02/04/72/323020472.db2.gz YQGNAURYZPYGHI-UHFFFAOYSA-N 1 2 248.267 1.082 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159599956 323028958 /nfs/dbraw/zinc/02/89/58/323028958.db2.gz MIDPZQCZQWVSOT-QMMMGPOBSA-N 1 2 208.236 1.781 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000570283393 323055063 /nfs/dbraw/zinc/05/50/63/323055063.db2.gz ZTESKLNDCGTZOK-MNOVXSKESA-N 1 2 233.315 1.526 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)N(C)C2CCCC2)CC1 ZINC000491103316 323077062 /nfs/dbraw/zinc/07/70/62/323077062.db2.gz OUOBXZNOVBIIDA-UHFFFAOYSA-N 1 2 249.358 1.232 20 30 BDEDLO N#CCC[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000563010684 323079787 /nfs/dbraw/zinc/07/97/87/323079787.db2.gz IQXQRAGUWUJRQH-UHFFFAOYSA-N 1 2 227.214 1.686 20 30 BDEDLO C[C@@H]1C[C@H](Nc2cncc(C#N)n2)c2[nH+]ccn21 ZINC000563052825 323082881 /nfs/dbraw/zinc/08/28/81/323082881.db2.gz DNPFOUKFRIGLDT-SCZZXKLOSA-N 1 2 240.270 1.663 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\C1CCCC1 ZINC000493692931 323087137 /nfs/dbraw/zinc/08/71/37/323087137.db2.gz MSXYKTWTHMPSHL-QIAWRQBBSA-N 1 2 249.358 1.693 20 30 BDEDLO N#CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000563144078 323095303 /nfs/dbraw/zinc/09/53/03/323095303.db2.gz VQUMGTIITVMDGO-NWDGAFQWSA-N 1 2 202.257 1.148 20 30 BDEDLO C[C@@H](CC(=O)N(C)CCC#N)n1cc[nH+]c1 ZINC000563238057 323105879 /nfs/dbraw/zinc/10/58/79/323105879.db2.gz OTCXYJAWKOMFBC-JTQLQIEISA-N 1 2 220.276 1.206 20 30 BDEDLO CC(C)[N@H+](CCC#N)Cc1cncnc1 ZINC000534337608 323117946 /nfs/dbraw/zinc/11/79/46/323117946.db2.gz PWEOQFIRNAOCNY-UHFFFAOYSA-N 1 2 204.277 1.601 20 30 BDEDLO CC(C)[N@@H+](CCC#N)Cc1cncnc1 ZINC000534337608 323117947 /nfs/dbraw/zinc/11/79/47/323117947.db2.gz PWEOQFIRNAOCNY-UHFFFAOYSA-N 1 2 204.277 1.601 20 30 BDEDLO N#CCC[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000563707210 323174703 /nfs/dbraw/zinc/17/47/03/323174703.db2.gz NSOKFOGYLFKTMM-SNVBAGLBSA-N 1 2 247.273 1.434 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335111004 323184522 /nfs/dbraw/zinc/18/45/22/323184522.db2.gz GLEBBJHJXMXPNS-JTQLQIEISA-N 1 2 247.342 1.986 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335111004 323184523 /nfs/dbraw/zinc/18/45/23/323184523.db2.gz GLEBBJHJXMXPNS-JTQLQIEISA-N 1 2 247.342 1.986 20 30 BDEDLO Cc1ncc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000309164708 323321929 /nfs/dbraw/zinc/32/19/29/323321929.db2.gz IKUVTFJEGVAKLY-UHFFFAOYSA-N 1 2 202.261 1.178 20 30 BDEDLO C=CCN(CC=C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667257724 487963159 /nfs/dbraw/zinc/96/31/59/487963159.db2.gz TVZNFMKSXHPFJG-LLVKDONJSA-N 1 2 248.330 1.865 20 30 BDEDLO COC(=O)[C@](C)([NH2+]CCC(C)(C)C#N)C1CC1 ZINC000539615877 324848789 /nfs/dbraw/zinc/84/87/89/324848789.db2.gz QGJFUQLWANLKLX-CYBMUJFWSA-N 1 2 238.331 1.858 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000131224201 325127128 /nfs/dbraw/zinc/12/71/28/325127128.db2.gz UNPGAWLUPSCDJF-DGCLKSJQSA-N 1 2 241.331 1.245 20 30 BDEDLO COc1ncccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000135145661 325397159 /nfs/dbraw/zinc/39/71/59/325397159.db2.gz JAULFDFOLFHZPM-UHFFFAOYSA-N 1 2 243.266 1.845 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N(CC#N)C1CCCC1 ZINC000548585852 325467377 /nfs/dbraw/zinc/46/73/77/325467377.db2.gz PSDUVUMOZRLIQE-UHFFFAOYSA-N 1 2 246.314 1.257 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565050837 325851580 /nfs/dbraw/zinc/85/15/80/325851580.db2.gz HYDAGMDODQFWAV-DGCLKSJQSA-N 1 2 237.347 1.549 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418766 326043429 /nfs/dbraw/zinc/04/34/29/326043429.db2.gz JCDDUPNREGPHNP-MWLCHTKSSA-N 1 2 239.319 1.698 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418766 326043432 /nfs/dbraw/zinc/04/34/32/326043432.db2.gz JCDDUPNREGPHNP-MWLCHTKSSA-N 1 2 239.319 1.698 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)CC#N ZINC000566467732 326052091 /nfs/dbraw/zinc/05/20/91/326052091.db2.gz XEDORKMDKBKAKP-JTQLQIEISA-N 1 2 248.330 1.644 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)CC#N ZINC000566467732 326052094 /nfs/dbraw/zinc/05/20/94/326052094.db2.gz XEDORKMDKBKAKP-JTQLQIEISA-N 1 2 248.330 1.644 20 30 BDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1CCC1 ZINC000566858460 326088726 /nfs/dbraw/zinc/08/87/26/326088726.db2.gz FOQCCBUXKBBZBG-ZWNOBZJWSA-N 1 2 237.347 1.383 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000154163056 326133885 /nfs/dbraw/zinc/13/38/85/326133885.db2.gz MDGFWXAWGNIBCU-SNVBAGLBSA-N 1 2 219.288 1.090 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C#N)ccc1OC ZINC000154184613 326134648 /nfs/dbraw/zinc/13/46/48/326134648.db2.gz JWWNTSUNOCRCQN-UHFFFAOYSA-N 1 2 238.290 1.635 20 30 BDEDLO COc1cncc(/C=C\CC[N@H+](C)CC#N)c1 ZINC000567380963 326179668 /nfs/dbraw/zinc/17/96/68/326179668.db2.gz FCTUSEYJCRDASV-HYXAFXHYSA-N 1 2 231.299 1.949 20 30 BDEDLO COc1cncc(/C=C\CC[N@@H+](C)CC#N)c1 ZINC000567380963 326179670 /nfs/dbraw/zinc/17/96/70/326179670.db2.gz FCTUSEYJCRDASV-HYXAFXHYSA-N 1 2 231.299 1.949 20 30 BDEDLO CC[C@@H](C)CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995877 326294095 /nfs/dbraw/zinc/29/40/95/326294095.db2.gz XTRDTQURKCVNIA-YPMHNXCESA-N 1 2 239.363 1.773 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]C[C@@H](C#N)CCC#N ZINC000568181106 326321071 /nfs/dbraw/zinc/32/10/71/326321071.db2.gz KUAVEMHERBHNDX-MNOVXSKESA-N 1 2 204.277 1.712 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000309483784 487974333 /nfs/dbraw/zinc/97/43/33/487974333.db2.gz FMFMWXVAUCZHJS-SECBINFHSA-N 1 2 217.272 1.199 20 30 BDEDLO COCC#CCSc1[nH+]cnc2c1cnn2C ZINC000677131738 487978527 /nfs/dbraw/zinc/97/85/27/487978527.db2.gz RXLXBORNMHGYMF-UHFFFAOYSA-N 1 2 248.311 1.105 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153324 488241561 /nfs/dbraw/zinc/24/15/61/488241561.db2.gz VFOOSEDJKRJMFR-BXUZGUMPSA-N 1 2 247.342 1.916 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2n(n1)CCC2 ZINC000594008085 490140471 /nfs/dbraw/zinc/14/04/71/490140471.db2.gz HIKZPHTWPWRARO-JTQLQIEISA-N 1 2 218.304 1.611 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000085825568 491053670 /nfs/dbraw/zinc/05/36/70/491053670.db2.gz SPHFTRMXHFCBNO-UHFFFAOYSA-N 1 2 248.330 1.042 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000085825568 491053671 /nfs/dbraw/zinc/05/36/71/491053671.db2.gz SPHFTRMXHFCBNO-UHFFFAOYSA-N 1 2 248.330 1.042 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2SCCCC#N ZINC000011679436 491121853 /nfs/dbraw/zinc/12/18/53/491121853.db2.gz PBLLNUARWKCAHE-UHFFFAOYSA-N 1 2 233.300 1.759 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(OCC)n1 ZINC000127438935 517301254 /nfs/dbraw/zinc/30/12/54/517301254.db2.gz AACVWXZPDLLRSZ-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO Cc1nc(N(C)Cc2[nH]cc[nH+]2)ccc1C#N ZINC000488103224 534440021 /nfs/dbraw/zinc/44/00/21/534440021.db2.gz YCFFHFCICAEWGE-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO C=CCCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000351548501 534677766 /nfs/dbraw/zinc/67/77/66/534677766.db2.gz RJLUMGVZEDNHGO-UHFFFAOYSA-N 1 2 235.335 1.436 20 30 BDEDLO C=CCCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000351548501 534677774 /nfs/dbraw/zinc/67/77/74/534677774.db2.gz RJLUMGVZEDNHGO-UHFFFAOYSA-N 1 2 235.335 1.436 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C)nn1 ZINC000336545853 534697350 /nfs/dbraw/zinc/69/73/50/534697350.db2.gz AKELZWRYCKOJGN-NSHDSACASA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C)nn1 ZINC000336545853 534697355 /nfs/dbraw/zinc/69/73/55/534697355.db2.gz AKELZWRYCKOJGN-NSHDSACASA-N 1 2 206.293 1.356 20 30 BDEDLO C=CCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368209187 534729921 /nfs/dbraw/zinc/72/99/21/534729921.db2.gz PWFJRMUXSOADTJ-SNVBAGLBSA-N 1 2 248.330 1.532 20 30 BDEDLO C=CCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368209187 534729927 /nfs/dbraw/zinc/72/99/27/534729927.db2.gz PWFJRMUXSOADTJ-SNVBAGLBSA-N 1 2 248.330 1.532 20 30 BDEDLO C=CCCN(C)c1cc(N2CCOCC2)nc[nH+]1 ZINC000277745789 534772627 /nfs/dbraw/zinc/77/26/27/534772627.db2.gz JMQOPWBUOZSFLT-UHFFFAOYSA-N 1 2 248.330 1.326 20 30 BDEDLO C=CCCN(C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000277745789 534772636 /nfs/dbraw/zinc/77/26/36/534772636.db2.gz JMQOPWBUOZSFLT-UHFFFAOYSA-N 1 2 248.330 1.326 20 30 BDEDLO C=CCN(CC)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366079277 534821255 /nfs/dbraw/zinc/82/12/55/534821255.db2.gz MZLRZIQJWXHTMZ-SNVBAGLBSA-N 1 2 233.315 1.864 20 30 BDEDLO C=CC[NH+](CC=C)CCCS(=O)(=O)C(C)C ZINC000120985404 534828517 /nfs/dbraw/zinc/82/85/17/534828517.db2.gz RTNBMQUEDIYEIE-UHFFFAOYSA-N 1 2 245.388 1.874 20 30 BDEDLO C=CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336372716 534860329 /nfs/dbraw/zinc/86/03/29/534860329.db2.gz ZPJUDCVYKLRNAJ-JTQLQIEISA-N 1 2 234.303 1.105 20 30 BDEDLO C=CCOC[C@H]([NH2+]CCC(C)(C)C)C(=O)OC ZINC000361106245 534880655 /nfs/dbraw/zinc/88/06/55/534880655.db2.gz FGIXGSKKBHEDHQ-NSHDSACASA-N 1 2 243.347 1.756 20 30 BDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCCC#N ZINC000360276164 534910857 /nfs/dbraw/zinc/91/08/57/534910857.db2.gz HDGOCLICWHPXSU-UHFFFAOYSA-N 1 2 248.330 1.849 20 30 BDEDLO C=CCN(CCOC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493490617 526277488 /nfs/dbraw/zinc/27/74/88/526277488.db2.gz WQMGHYXVLXGLKD-PLNGDYQASA-N 1 2 235.287 1.084 20 30 BDEDLO CC#CCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492467051 526310593 /nfs/dbraw/zinc/31/05/93/526310593.db2.gz BPUAOVWYZXHMAV-BQYQJAHWSA-N 1 2 231.299 1.446 20 30 BDEDLO C#CCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492809601 526692121 /nfs/dbraw/zinc/69/21/21/526692121.db2.gz GMAXWXRNPSIHGN-SREVYHEPSA-N 1 2 217.272 1.343 20 30 BDEDLO C#CCCCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492462907 526692254 /nfs/dbraw/zinc/69/22/54/526692254.db2.gz UZPDWKCIZJFSOU-CMDGGOBGSA-N 1 2 245.326 1.836 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000491752993 526778698 /nfs/dbraw/zinc/77/86/98/526778698.db2.gz NKZOYPLSXGJVNU-NSHDSACASA-N 1 2 243.310 1.454 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000491630192 526829560 /nfs/dbraw/zinc/82/95/60/526829560.db2.gz MRWQKJPVAZHIPK-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#CC[N@H+](C)Cc1cccc(C#N)c1F ZINC000491630192 526829564 /nfs/dbraw/zinc/82/95/64/526829564.db2.gz MRWQKJPVAZHIPK-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(O)c1 ZINC000490912940 526864038 /nfs/dbraw/zinc/86/40/38/526864038.db2.gz BFCNQROEECMTPV-UHFFFAOYSA-N 1 2 213.280 1.851 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(O)c1 ZINC000490912940 526864043 /nfs/dbraw/zinc/86/40/43/526864043.db2.gz BFCNQROEECMTPV-UHFFFAOYSA-N 1 2 213.280 1.851 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c(C)n[nH]c1C ZINC000490914281 526864723 /nfs/dbraw/zinc/86/47/23/526864723.db2.gz HDERXVRVGOUVHJ-UHFFFAOYSA-N 1 2 215.300 1.485 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c(C)n[nH]c1C ZINC000490914281 526864726 /nfs/dbraw/zinc/86/47/26/526864726.db2.gz HDERXVRVGOUVHJ-UHFFFAOYSA-N 1 2 215.300 1.485 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493495192 527034527 /nfs/dbraw/zinc/03/45/27/527034527.db2.gz VVYGHSREXFJTOJ-JYESYGNLSA-N 1 2 219.288 1.894 20 30 BDEDLO C#CC[C@H](C)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492464349 527166196 /nfs/dbraw/zinc/16/61/96/527166196.db2.gz XJAZWJLEJQBNEG-AEZGRPFRSA-N 1 2 231.299 1.444 20 30 BDEDLO C#C[C@H](CC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491747350 527353856 /nfs/dbraw/zinc/35/38/56/527353856.db2.gz QDQYHMMUMIQVEK-CYBMUJFWSA-N 1 2 245.326 1.909 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860776 527596550 /nfs/dbraw/zinc/59/65/50/527596550.db2.gz IPWVNBWXDROLRC-DGMVEKRQSA-N 1 2 231.299 1.990 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492776220 529353122 /nfs/dbraw/zinc/35/31/22/529353122.db2.gz ZAUYWZARWLZMDH-DOGVGXBMSA-N 1 2 218.260 1.231 20 30 BDEDLO CC(C)[C@@H]1C[N@H+](CC2(C#N)CC2)CCO1 ZINC000334406353 535262260 /nfs/dbraw/zinc/26/22/60/535262260.db2.gz JZSKUOZXONXCCR-NSHDSACASA-N 1 2 208.305 1.647 20 30 BDEDLO CC(C)[C@@H]1C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000334406353 535262263 /nfs/dbraw/zinc/26/22/63/535262263.db2.gz JZSKUOZXONXCCR-NSHDSACASA-N 1 2 208.305 1.647 20 30 BDEDLO CC[C@@H](C)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363425749 535512990 /nfs/dbraw/zinc/51/29/90/535512990.db2.gz GWJWODJZUQGUKZ-YPMHNXCESA-N 1 2 221.348 1.705 20 30 BDEDLO CC[C@@H](C)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363425749 535512997 /nfs/dbraw/zinc/51/29/97/535512997.db2.gz GWJWODJZUQGUKZ-YPMHNXCESA-N 1 2 221.348 1.705 20 30 BDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCCC#N ZINC000113004135 535637603 /nfs/dbraw/zinc/63/76/03/535637603.db2.gz KGKKISIGUDNWAG-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCCC#N ZINC000113004135 535637605 /nfs/dbraw/zinc/63/76/05/535637605.db2.gz KGKKISIGUDNWAG-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000376049464 535970380 /nfs/dbraw/zinc/97/03/80/535970380.db2.gz CCLYTFWJDHGRFC-ZDUSSCGKSA-N 1 2 246.314 1.474 20 30 BDEDLO CN(CCC#N)c1cccc(-n2cc[nH+]c2)n1 ZINC000370750102 536301822 /nfs/dbraw/zinc/30/18/22/536301822.db2.gz XNEHCFIINKQLAN-UHFFFAOYSA-N 1 2 227.271 1.617 20 30 BDEDLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309215214 536638318 /nfs/dbraw/zinc/63/83/18/536638318.db2.gz UHUXOAJKWUQEKJ-IVZWLZJFSA-N 1 2 210.277 1.220 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000854693367 583090696 /nfs/dbraw/zinc/09/06/96/583090696.db2.gz QWZVLBUXPBDVQB-GXFFZTMASA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000854693367 583090697 /nfs/dbraw/zinc/09/06/97/583090697.db2.gz QWZVLBUXPBDVQB-GXFFZTMASA-N 1 2 233.315 1.506 20 30 BDEDLO C=CCn1nc(C)c([C@H]2COCC[N@H+]2C)c1C ZINC000852962483 588714647 /nfs/dbraw/zinc/71/46/47/588714647.db2.gz GSZXQIRYXQCMCZ-GFCCVEGCSA-N 1 2 235.331 1.689 20 30 BDEDLO C=CCn1nc(C)c([C@H]2COCC[N@@H+]2C)c1C ZINC000852962483 588714648 /nfs/dbraw/zinc/71/46/48/588714648.db2.gz GSZXQIRYXQCMCZ-GFCCVEGCSA-N 1 2 235.331 1.689 20 30 BDEDLO COC(=O)[C@H]1C[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000852998239 588715108 /nfs/dbraw/zinc/71/51/08/588715108.db2.gz JEVQSFYEYYAQPZ-RSZLYOLOSA-N 1 2 233.267 1.763 20 30 BDEDLO C#CCCNc1nc[nH+]c(NCCC#C)c1C ZINC000853331103 588733953 /nfs/dbraw/zinc/73/39/53/588733953.db2.gz HQPYGHMGGQYSGU-UHFFFAOYSA-N 1 2 228.299 1.655 20 30 BDEDLO C#Cc1cccnc1N(C)CCCn1cc[nH+]c1 ZINC000853449845 588743898 /nfs/dbraw/zinc/74/38/98/588743898.db2.gz LJWZVGFYDQIPPK-UHFFFAOYSA-N 1 2 240.310 1.786 20 30 BDEDLO C#CCOCCO[NH+]=C(N)c1ccccc1 ZINC000853637002 588751363 /nfs/dbraw/zinc/75/13/63/588751363.db2.gz NOHPCWPQZVEIOA-UHFFFAOYSA-N 1 2 218.256 1.183 20 30 BDEDLO N#Cc1cnnc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000853650948 588752203 /nfs/dbraw/zinc/75/22/03/588752203.db2.gz OFUFWFFRKUMLHK-SECBINFHSA-N 1 2 226.243 1.102 20 30 BDEDLO C#C[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000853660207 588753437 /nfs/dbraw/zinc/75/34/37/588753437.db2.gz WRLDNKVPXXHYKO-SNVBAGLBSA-N 1 2 217.272 1.068 20 30 BDEDLO CC(C)(C)OCC(N)=[NH+]OCC1(CC#N)CC1 ZINC000853688305 588756693 /nfs/dbraw/zinc/75/66/93/588756693.db2.gz LMRPDOGGBFYSPY-UHFFFAOYSA-N 1 2 239.319 1.994 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000890554265 582474343 /nfs/dbraw/zinc/47/43/43/582474343.db2.gz LTGKOWPZYVGDRM-WDEREUQCSA-N 1 2 245.326 1.692 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000890554265 582474344 /nfs/dbraw/zinc/47/43/44/582474344.db2.gz LTGKOWPZYVGDRM-WDEREUQCSA-N 1 2 245.326 1.692 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000890553106 582474767 /nfs/dbraw/zinc/47/47/67/582474767.db2.gz RBRFVXWHAZDOBW-SNVBAGLBSA-N 1 2 219.288 1.519 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000890557549 582476994 /nfs/dbraw/zinc/47/69/94/582476994.db2.gz BEHDNNWVXAPDRP-LLVKDONJSA-N 1 2 219.288 1.450 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000890654450 582493841 /nfs/dbraw/zinc/49/38/41/582493841.db2.gz CFHHHILGQVIHQG-WCQYABFASA-N 1 2 245.326 1.603 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000890654450 582493842 /nfs/dbraw/zinc/49/38/42/582493842.db2.gz CFHHHILGQVIHQG-WCQYABFASA-N 1 2 245.326 1.603 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000891266305 582645856 /nfs/dbraw/zinc/64/58/56/582645856.db2.gz KAZQCJKUVAHHRJ-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO C#CC[N@@H+](CC)Cc1ccnc(OC)c1F ZINC000891804952 582724646 /nfs/dbraw/zinc/72/46/46/582724646.db2.gz AKCNYSWDLHYWDW-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO C#CC[N@H+](CC)Cc1ccnc(OC)c1F ZINC000891804952 582724649 /nfs/dbraw/zinc/72/46/49/582724649.db2.gz AKCNYSWDLHYWDW-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ccon2)o1 ZINC000135492172 582802578 /nfs/dbraw/zinc/80/25/78/582802578.db2.gz UOLMGLWXGGDPFC-UHFFFAOYSA-N 1 2 203.201 1.429 20 30 BDEDLO C=CCCONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000856035690 588858056 /nfs/dbraw/zinc/85/80/56/588858056.db2.gz LMLJFAWWWGIJMK-NXEZZACHSA-N 1 2 235.287 1.148 20 30 BDEDLO C=CCCONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000856034300 588857428 /nfs/dbraw/zinc/85/74/28/588857428.db2.gz KRVRTYDUQSGVKP-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO Cc1cc(C#N)nc(N(C)Cc2[nH]cc[nH+]2)c1 ZINC000892560189 582914152 /nfs/dbraw/zinc/91/41/52/582914152.db2.gz SZPJVRAAXUEHOS-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO C=CC[C@H](CO)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000893284687 583086164 /nfs/dbraw/zinc/08/61/64/583086164.db2.gz SHVNAYJJWNZLKW-MNOVXSKESA-N 1 2 243.347 1.491 20 30 BDEDLO C#C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000854479020 583086751 /nfs/dbraw/zinc/08/67/51/583086751.db2.gz DQSOBEZZDIBXMQ-SECBINFHSA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000854479021 583086959 /nfs/dbraw/zinc/08/69/59/583086959.db2.gz DQSOBEZZDIBXMQ-VIFPVBQESA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893528100 583157871 /nfs/dbraw/zinc/15/78/71/583157871.db2.gz TVXSVJYBNHNXJX-MNOVXSKESA-N 1 2 248.330 1.117 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893528100 583157872 /nfs/dbraw/zinc/15/78/72/583157872.db2.gz TVXSVJYBNHNXJX-MNOVXSKESA-N 1 2 248.330 1.117 20 30 BDEDLO CCOc1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000893545943 583161373 /nfs/dbraw/zinc/16/13/73/583161373.db2.gz YHUKWBXYRJOPIA-SECBINFHSA-N 1 2 208.261 1.928 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cncc(OCC)c1 ZINC000857022033 588882509 /nfs/dbraw/zinc/88/25/09/588882509.db2.gz CBUHXGIZMRCDBV-UHFFFAOYSA-N 1 2 242.322 1.939 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cncc(OCC)c1 ZINC000857022033 588882510 /nfs/dbraw/zinc/88/25/10/588882510.db2.gz CBUHXGIZMRCDBV-UHFFFAOYSA-N 1 2 242.322 1.939 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cncc(OCC)c1 ZINC000857020368 588882663 /nfs/dbraw/zinc/88/26/63/588882663.db2.gz AVGHDHQZPHAIHL-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccn1C1CC1)[C@@H]1CCCO1 ZINC000893676366 583195727 /nfs/dbraw/zinc/19/57/27/583195727.db2.gz KGKOSHDVAJHMGU-OLZOCXBDSA-N 1 2 245.326 1.488 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NC)[nH+]cn1 ZINC000894067285 583293619 /nfs/dbraw/zinc/29/36/19/583293619.db2.gz KJGBXFXDHQODAX-BDAKNGLRSA-N 1 2 220.276 1.274 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000894067285 583293623 /nfs/dbraw/zinc/29/36/23/583293623.db2.gz KJGBXFXDHQODAX-BDAKNGLRSA-N 1 2 220.276 1.274 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](CC)[C@@H]1CCCO1)C(=O)OC ZINC000878412874 583372473 /nfs/dbraw/zinc/37/24/73/583372473.db2.gz ANSHGDVECPXUPE-WOPDTQHZSA-N 1 2 241.331 1.651 20 30 BDEDLO C#CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000791051969 583383701 /nfs/dbraw/zinc/38/37/01/583383701.db2.gz IWXMDEHVCMOQSW-UHFFFAOYSA-N 1 2 236.246 1.538 20 30 BDEDLO C#CC[N@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000791051969 583383702 /nfs/dbraw/zinc/38/37/02/583383702.db2.gz IWXMDEHVCMOQSW-UHFFFAOYSA-N 1 2 236.246 1.538 20 30 BDEDLO C#CC1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000894356146 583435142 /nfs/dbraw/zinc/43/51/42/583435142.db2.gz MLCSHLSOWICZHY-UHFFFAOYSA-N 1 2 230.315 1.392 20 30 BDEDLO C#CC1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000894356146 583435144 /nfs/dbraw/zinc/43/51/44/583435144.db2.gz MLCSHLSOWICZHY-UHFFFAOYSA-N 1 2 230.315 1.392 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN(CCC#N)CCC#N ZINC000894375049 583441682 /nfs/dbraw/zinc/44/16/82/583441682.db2.gz MGXWTFGOEOEQRU-UHFFFAOYSA-N 1 2 243.314 1.602 20 30 BDEDLO C#CC[C@@H](COC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894829789 583526993 /nfs/dbraw/zinc/52/69/93/583526993.db2.gz FJANWNMCSARSTH-QWRGUYRKSA-N 1 2 234.299 1.585 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C[C@@H]1CO ZINC000880485844 583544385 /nfs/dbraw/zinc/54/43/85/583544385.db2.gz IGWZPUMSRWJXOV-CYBMUJFWSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880485844 583544386 /nfs/dbraw/zinc/54/43/86/583544386.db2.gz IGWZPUMSRWJXOV-CYBMUJFWSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC=C[C@H]2CO)c1F ZINC000880488462 583544650 /nfs/dbraw/zinc/54/46/50/583544650.db2.gz FXFBWVSXEKRHFL-LBPRGKRZSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC=C[C@H]2CO)c1F ZINC000880488462 583544652 /nfs/dbraw/zinc/54/46/52/583544652.db2.gz FXFBWVSXEKRHFL-LBPRGKRZSA-N 1 2 232.258 1.430 20 30 BDEDLO N#CCC1C[NH+](CC#Cc2ccccc2)C1 ZINC000895344580 583655206 /nfs/dbraw/zinc/65/52/06/583655206.db2.gz RFLMBFXHTLVZPM-UHFFFAOYSA-N 1 2 210.280 1.884 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000857879405 588919444 /nfs/dbraw/zinc/91/94/44/588919444.db2.gz CAPNEFNMAVEEHI-ZDUSSCGKSA-N 1 2 243.310 1.184 20 30 BDEDLO C=CCN1CC[C@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000857879405 588919445 /nfs/dbraw/zinc/91/94/45/588919445.db2.gz CAPNEFNMAVEEHI-ZDUSSCGKSA-N 1 2 243.310 1.184 20 30 BDEDLO C[C@H](CC(C)(C)C#N)[NH2+]Cc1c[nH]nn1 ZINC000895534882 583686193 /nfs/dbraw/zinc/68/61/93/583686193.db2.gz WEFUOAWLYLCXLG-MRVPVSSYSA-N 1 2 207.281 1.223 20 30 BDEDLO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cn[nH]n1 ZINC000895534882 583686195 /nfs/dbraw/zinc/68/61/95/583686195.db2.gz WEFUOAWLYLCXLG-MRVPVSSYSA-N 1 2 207.281 1.223 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2cocn2)CC1 ZINC000895670354 583706402 /nfs/dbraw/zinc/70/64/02/583706402.db2.gz QNHVQKPZRQZTPZ-UHFFFAOYSA-N 1 2 220.272 1.025 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CC)nc1C)C1CSC1 ZINC000895812016 583733309 /nfs/dbraw/zinc/73/33/09/583733309.db2.gz YOSLIAXMUSCHHD-UHFFFAOYSA-N 1 2 249.383 1.762 20 30 BDEDLO C#CC[N@H+](Cc1cn(CC)nc1C)C1CSC1 ZINC000895812016 583733312 /nfs/dbraw/zinc/73/33/12/583733312.db2.gz YOSLIAXMUSCHHD-UHFFFAOYSA-N 1 2 249.383 1.762 20 30 BDEDLO C#CC[N@@H+](Cc1c[nH]nc1C)C1CSC1 ZINC000895814191 583733497 /nfs/dbraw/zinc/73/34/97/583733497.db2.gz OJDGRIWVNHSTFO-UHFFFAOYSA-N 1 2 221.329 1.269 20 30 BDEDLO C#CC[N@H+](Cc1c[nH]nc1C)C1CSC1 ZINC000895814191 583733501 /nfs/dbraw/zinc/73/35/01/583733501.db2.gz OJDGRIWVNHSTFO-UHFFFAOYSA-N 1 2 221.329 1.269 20 30 BDEDLO C#CCN(Cc1[nH]cc(C)[nH+]1)C1CSC1 ZINC000895814019 583733722 /nfs/dbraw/zinc/73/37/22/583733722.db2.gz JSWSFCFDTNWNHH-UHFFFAOYSA-N 1 2 221.329 1.269 20 30 BDEDLO C#CC[N@@H+](Cc1cnc(CC)nc1)C1CSC1 ZINC000895813778 583733830 /nfs/dbraw/zinc/73/38/30/583733830.db2.gz HIECWJCCGQHXCE-UHFFFAOYSA-N 1 2 247.367 1.590 20 30 BDEDLO C#CC[N@H+](Cc1cnc(CC)nc1)C1CSC1 ZINC000895813778 583733832 /nfs/dbraw/zinc/73/38/32/583733832.db2.gz HIECWJCCGQHXCE-UHFFFAOYSA-N 1 2 247.367 1.590 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977348 588926918 /nfs/dbraw/zinc/92/69/18/588926918.db2.gz CMXNTYXWRRUKQI-SNVBAGLBSA-N 1 2 217.272 1.104 20 30 BDEDLO C#CCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981254 588928321 /nfs/dbraw/zinc/92/83/21/588928321.db2.gz YNYCAYKIHBSLGX-NSHDSACASA-N 1 2 231.299 1.638 20 30 BDEDLO CC[N@H+](CC(=O)NC)Cc1cccc(C#N)c1F ZINC000223524735 583916599 /nfs/dbraw/zinc/91/65/99/583916599.db2.gz VHDYTLDOUKOBRT-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CC[N@@H+](CC(=O)NC)Cc1cccc(C#N)c1F ZINC000223524735 583916600 /nfs/dbraw/zinc/91/66/00/583916600.db2.gz VHDYTLDOUKOBRT-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO C#C[C@@H]1CCCCN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000897360417 583938434 /nfs/dbraw/zinc/93/84/34/583938434.db2.gz GGKRZEFICGWPPG-SNVBAGLBSA-N 1 2 243.314 1.323 20 30 BDEDLO C#CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897536410 584010021 /nfs/dbraw/zinc/01/00/21/584010021.db2.gz VFCLBZUXHKTCHH-UHFFFAOYSA-N 1 2 219.288 1.018 20 30 BDEDLO N#CCCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000730062062 584119514 /nfs/dbraw/zinc/11/95/14/584119514.db2.gz HGDYOGGZGCYNLI-UHFFFAOYSA-N 1 2 229.283 1.032 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(C)cs1 ZINC000730097666 584123125 /nfs/dbraw/zinc/12/31/25/584123125.db2.gz GDGNIRUAHSMMFB-JTQLQIEISA-N 1 2 249.339 1.488 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(C)cs1 ZINC000730097666 584123127 /nfs/dbraw/zinc/12/31/27/584123127.db2.gz GDGNIRUAHSMMFB-JTQLQIEISA-N 1 2 249.339 1.488 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898616422 584145462 /nfs/dbraw/zinc/14/54/62/584145462.db2.gz ZMXOWNRMXRIHAO-LLVKDONJSA-N 1 2 248.330 1.528 20 30 BDEDLO C=C1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000898705989 584153455 /nfs/dbraw/zinc/15/34/55/584153455.db2.gz ROARQEVJLNHVRY-GFCCVEGCSA-N 1 2 233.315 1.869 20 30 BDEDLO N#CC1(CNc2cc[nH+]c(CO)c2)CCC1 ZINC000858573324 588967851 /nfs/dbraw/zinc/96/78/51/588967851.db2.gz ZRRGYVFBIPXVIL-UHFFFAOYSA-N 1 2 217.272 1.680 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccns2)nn1 ZINC000899888793 584247389 /nfs/dbraw/zinc/24/73/89/584247389.db2.gz QNDFBYYGXWHCJX-VIFPVBQESA-N 1 2 249.343 1.771 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000899900892 584249537 /nfs/dbraw/zinc/24/95/37/584249537.db2.gz XWPPCRNOVXHMHC-GFCCVEGCSA-N 1 2 207.248 1.731 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)N(CC#N)C1CC1 ZINC000900361052 584295729 /nfs/dbraw/zinc/29/57/29/584295729.db2.gz XNNXCWBMRPFDTQ-UHFFFAOYSA-N 1 2 244.298 1.560 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)N[C@@H](C)C#N ZINC000900399741 584303104 /nfs/dbraw/zinc/30/31/04/584303104.db2.gz IOBVCASQLHQRCG-QMMMGPOBSA-N 1 2 218.260 1.074 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)CNc1cccc[nH+]1 ZINC000900567194 584326178 /nfs/dbraw/zinc/32/61/78/584326178.db2.gz ACWAAJAXWIZVPV-JTQLQIEISA-N 1 2 232.287 1.254 20 30 BDEDLO C#CCCCCNC(=O)CNc1cccc[nH+]1 ZINC000901033410 584375608 /nfs/dbraw/zinc/37/56/08/584375608.db2.gz GMBXWOBGAACZSK-UHFFFAOYSA-N 1 2 231.299 1.413 20 30 BDEDLO C#CCCOC(=O)NCCCn1cc[nH+]c1 ZINC000858875275 588980676 /nfs/dbraw/zinc/98/06/76/588980676.db2.gz XAPLMDUMZGTRGO-UHFFFAOYSA-N 1 2 221.260 1.023 20 30 BDEDLO C[C@@H]1CC(NN=Cc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000901305810 584420055 /nfs/dbraw/zinc/42/00/55/584420055.db2.gz FRTKWHFLLRCTQW-NXEZZACHSA-N 1 2 236.319 1.300 20 30 BDEDLO C(CCc1cnoc1)=[NH+]n1nnc2c1CCCC2 ZINC000901328704 584424046 /nfs/dbraw/zinc/42/40/46/584424046.db2.gz LOHKVNCEFTVBFC-UHFFFAOYSA-N 1 2 245.286 1.612 20 30 BDEDLO OCCCCCC=[NH+]n1nnc2c1CCCC2 ZINC000901329412 584424320 /nfs/dbraw/zinc/42/43/20/584424320.db2.gz WUSXZHBOXPHPHH-UHFFFAOYSA-N 1 2 236.319 1.544 20 30 BDEDLO C(C[C@@H]1CCOC1)=[NH+]n1nnc2c1CCCC2 ZINC000901331686 584425088 /nfs/dbraw/zinc/42/50/88/584425088.db2.gz TWMQLLGTRRKXGD-SNVBAGLBSA-N 1 2 234.303 1.417 20 30 BDEDLO CCOCCC=[NH+]n1nnc2c1CCCC2 ZINC000901331210 584425281 /nfs/dbraw/zinc/42/52/81/584425281.db2.gz MUZAOILRWCDUJP-UHFFFAOYSA-N 1 2 222.292 1.417 20 30 BDEDLO Cn1c[nH+]cc1/C=C1\CCc2c(cnn2C)C1=O ZINC000901456587 584450202 /nfs/dbraw/zinc/45/02/02/584450202.db2.gz GVDVEWPRKSAETR-WEVVVXLNSA-N 1 2 242.282 1.366 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2cn(C)nn2)[nH+]c1C ZINC000901520879 584457916 /nfs/dbraw/zinc/45/79/16/584457916.db2.gz ZGYBXVHLLLTJBS-SNAWJCMRSA-N 1 2 231.259 1.051 20 30 BDEDLO Cc1[nH]c(/C=C2\Cn3ccnc3C2=O)[nH+]c1C ZINC000901512075 584461128 /nfs/dbraw/zinc/46/11/28/584461128.db2.gz APRQSPPZVDOKEM-WEVVVXLNSA-N 1 2 228.255 1.503 20 30 BDEDLO Cc1[nH]c(/C=C2/CCn3nccc3C2=O)[nH+]c1C ZINC000901544571 584464102 /nfs/dbraw/zinc/46/41/02/584464102.db2.gz XAMXCIKVOZZCEO-YFHOEESVSA-N 1 2 242.282 1.893 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ncc[nH]1 ZINC000903030978 584718257 /nfs/dbraw/zinc/71/82/57/584718257.db2.gz AKUVBAQSQGGCAD-VIFPVBQESA-N 1 2 204.277 1.754 20 30 BDEDLO C[C@H](NCC1(C#N)CCC1)c1[nH]cc[nH+]1 ZINC000903030978 584718255 /nfs/dbraw/zinc/71/82/55/584718255.db2.gz AKUVBAQSQGGCAD-VIFPVBQESA-N 1 2 204.277 1.754 20 30 BDEDLO CC(C)(C#N)C[NH2+][C@H]1CCCn2ccnc21 ZINC000903101584 584727372 /nfs/dbraw/zinc/72/73/72/584727372.db2.gz JJALOBIYGCSRDC-JTQLQIEISA-N 1 2 218.304 1.857 20 30 BDEDLO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)c2nccn21 ZINC000903105596 584728202 /nfs/dbraw/zinc/72/82/02/584728202.db2.gz FJQAWTIVZVTDHG-ZJUUUORDSA-N 1 2 216.288 1.782 20 30 BDEDLO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc(C#N)c1O ZINC000903394106 584757089 /nfs/dbraw/zinc/75/70/89/584757089.db2.gz ZKGLWXNWNRYRRF-NRUUGDAUSA-N 1 2 246.310 1.949 20 30 BDEDLO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cccc(C#N)c1O ZINC000903394107 584757134 /nfs/dbraw/zinc/75/71/34/584757134.db2.gz ZKGLWXNWNRYRRF-OUJBWJOFSA-N 1 2 246.310 1.949 20 30 BDEDLO C=CCOCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257812 584859520 /nfs/dbraw/zinc/85/95/20/584859520.db2.gz CVFATVXXUOWKTI-UHFFFAOYSA-N 1 2 246.270 1.725 20 30 BDEDLO C=C1CC[NH+](CC(=O)NCc2ccccn2)CC1 ZINC000731032036 584921452 /nfs/dbraw/zinc/92/14/52/584921452.db2.gz BXEYQXVAUZJJHH-UHFFFAOYSA-N 1 2 245.326 1.350 20 30 BDEDLO c1c[nH+]c(CN=Nc2cnc3ccccc3n2)[nH]1 ZINC000731153475 584922841 /nfs/dbraw/zinc/92/28/41/584922841.db2.gz NUQJDGJVDJHSHC-UHFFFAOYSA-N 1 2 238.254 1.799 20 30 BDEDLO CC(=[NH+]NCCC(F)(F)F)c1ccc(N)nc1 ZINC000814920261 584937464 /nfs/dbraw/zinc/93/74/64/584937464.db2.gz HKOWBBJXLUUGJE-UHFFFAOYSA-N 1 2 246.236 1.930 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN1CCCC1=O ZINC000733032377 584942320 /nfs/dbraw/zinc/94/23/20/584942320.db2.gz FHMQUPPHYOMJNL-UHFFFAOYSA-N 1 2 216.712 1.293 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN1CCCC1=O ZINC000733032377 584942321 /nfs/dbraw/zinc/94/23/21/584942321.db2.gz FHMQUPPHYOMJNL-UHFFFAOYSA-N 1 2 216.712 1.293 20 30 BDEDLO C#CCCC[N@@H+](CCOC)CC(F)F ZINC000766895543 584944446 /nfs/dbraw/zinc/94/44/46/584944446.db2.gz LGMALKZESGCRSE-UHFFFAOYSA-N 1 2 205.248 1.613 20 30 BDEDLO C#CCCC[N@H+](CCOC)CC(F)F ZINC000766895543 584944447 /nfs/dbraw/zinc/94/44/47/584944447.db2.gz LGMALKZESGCRSE-UHFFFAOYSA-N 1 2 205.248 1.613 20 30 BDEDLO CN(C)c1cc(COC(=O)C#CC2CC2)cc[nH+]1 ZINC000838366652 585054833 /nfs/dbraw/zinc/05/48/33/585054833.db2.gz JHZHWPOAKAMYDA-UHFFFAOYSA-N 1 2 244.294 1.604 20 30 BDEDLO N#CC[N@@H+](C[C@@H](O)C1CC1)C1CCCC1 ZINC000838851655 585074718 /nfs/dbraw/zinc/07/47/18/585074718.db2.gz KGKKPJLCYWKETF-GFCCVEGCSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC[N@H+](C[C@@H](O)C1CC1)C1CCCC1 ZINC000838851655 585074719 /nfs/dbraw/zinc/07/47/19/585074719.db2.gz KGKKPJLCYWKETF-GFCCVEGCSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H](O)C1CC1 ZINC000838866596 585076381 /nfs/dbraw/zinc/07/63/81/585076381.db2.gz XVIFYAYAINIAAV-CYBMUJFWSA-N 1 2 234.299 1.766 20 30 BDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H](O)C1CC1 ZINC000838866596 585076382 /nfs/dbraw/zinc/07/63/82/585076382.db2.gz XVIFYAYAINIAAV-CYBMUJFWSA-N 1 2 234.299 1.766 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(=O)OC ZINC000839167130 585095320 /nfs/dbraw/zinc/09/53/20/585095320.db2.gz CETIQMHKICDUOV-WOPDTQHZSA-N 1 2 221.300 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+]CC(CC)CC)C(=O)OC ZINC000839168574 585095606 /nfs/dbraw/zinc/09/56/06/585095606.db2.gz KXQJOXOZDZSULI-LLVKDONJSA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C(=O)OC ZINC000839168755 585095631 /nfs/dbraw/zinc/09/56/31/585095631.db2.gz NYXJIRKGICBCPI-UTUOFQBUSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000839169149 585096066 /nfs/dbraw/zinc/09/60/66/585096066.db2.gz QPRWFWYMXZJVTD-WRWGMCAJSA-N 1 2 239.315 1.097 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOc1cccc(C)c1 ZINC000839195094 585098604 /nfs/dbraw/zinc/09/86/04/585098604.db2.gz OONTYOQYTJGNSP-AWEZNQCLSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOc1cccc(C)c1 ZINC000839195094 585098605 /nfs/dbraw/zinc/09/86/05/585098605.db2.gz OONTYOQYTJGNSP-AWEZNQCLSA-N 1 2 245.322 1.708 20 30 BDEDLO Oc1ccccc1/C=[NH+]\Cc1nnnn1C1CC1 ZINC000743044948 585133521 /nfs/dbraw/zinc/13/35/21/585133521.db2.gz VCQCZSPAFKOJLG-QPEQYQDCSA-N 1 2 243.270 1.333 20 30 BDEDLO COC[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000747864518 585185255 /nfs/dbraw/zinc/18/52/55/585185255.db2.gz NZBPGOWNPBPUTN-QMMMGPOBSA-N 1 2 226.251 1.498 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000749388999 585201972 /nfs/dbraw/zinc/20/19/72/585201972.db2.gz FCUFJWDREBFESP-CYBMUJFWSA-N 1 2 248.370 1.590 20 30 BDEDLO N#CCCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000751459062 585230268 /nfs/dbraw/zinc/23/02/68/585230268.db2.gz QUTQQVDRKIDABO-UHFFFAOYSA-N 1 2 247.298 1.833 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C2/CC[C@H](C)C2)CC1 ZINC000753607543 585263735 /nfs/dbraw/zinc/26/37/35/585263735.db2.gz PHZBWVYVISJYDB-BSHRGCEOSA-N 1 2 246.354 1.510 20 30 BDEDLO Cc1cccn2c(C=NN3CCOCC3)c[nH+]c12 ZINC000755489902 585300700 /nfs/dbraw/zinc/30/07/00/585300700.db2.gz AAWVHTJTOVQBNB-UHFFFAOYSA-N 1 2 244.298 1.309 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1nccc(OC)n1 ZINC000755639067 585303111 /nfs/dbraw/zinc/30/31/11/585303111.db2.gz CYXDOIMLKIHVEX-UHFFFAOYSA-N 1 2 246.274 1.148 20 30 BDEDLO C#CCOCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000756659522 585322240 /nfs/dbraw/zinc/32/22/40/585322240.db2.gz MRWFWTPWHPPBGV-UHFFFAOYSA-N 1 2 243.266 1.313 20 30 BDEDLO C(=NNC1CC1)c1ccc(C=[NH+]NC2CC2)cc1 ZINC000758133312 585350275 /nfs/dbraw/zinc/35/02/75/585350275.db2.gz LXPJMVQQAMXUHT-UHFFFAOYSA-N 1 2 242.326 1.858 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cn1ncn(C)c1=O ZINC000758333850 585354048 /nfs/dbraw/zinc/35/40/48/585354048.db2.gz YOXQGFHWIXGMMG-UHFFFAOYSA-N 1 2 238.335 1.218 20 30 BDEDLO C=CCCCCC[N@H+](C)Cn1ncn(C)c1=O ZINC000758333850 585354049 /nfs/dbraw/zinc/35/40/49/585354049.db2.gz YOXQGFHWIXGMMG-UHFFFAOYSA-N 1 2 238.335 1.218 20 30 BDEDLO C#CCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000760341999 585390653 /nfs/dbraw/zinc/39/06/53/585390653.db2.gz JWBROKCHPZGMSH-NSHDSACASA-N 1 2 243.310 1.852 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1cc(C)on1 ZINC000761107738 585409679 /nfs/dbraw/zinc/40/96/79/585409679.db2.gz GUOOELPJZYNEHJ-UHFFFAOYSA-N 1 2 208.261 1.065 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1cc(C)on1 ZINC000761107738 585409680 /nfs/dbraw/zinc/40/96/80/585409680.db2.gz GUOOELPJZYNEHJ-UHFFFAOYSA-N 1 2 208.261 1.065 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(O)cc1)C1CC1 ZINC000763950137 585457554 /nfs/dbraw/zinc/45/75/54/585457554.db2.gz KDZLKWFRKUOSJO-UHFFFAOYSA-N 1 2 244.294 1.428 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1ccc(O)cc1)C1CC1 ZINC000763950137 585457555 /nfs/dbraw/zinc/45/75/55/585457555.db2.gz KDZLKWFRKUOSJO-UHFFFAOYSA-N 1 2 244.294 1.428 20 30 BDEDLO CCO[NH+]=Cc1sc(N(C)C)nc1OC ZINC000767465303 585520780 /nfs/dbraw/zinc/52/07/80/585520780.db2.gz ZMGUQEVFXRLZLG-UHFFFAOYSA-N 1 2 229.305 1.588 20 30 BDEDLO C=CCCO[NH+]=C(N)COC(C)(C)C ZINC000768944213 585546586 /nfs/dbraw/zinc/54/65/86/585546586.db2.gz WENVDMPNCOSKGL-UHFFFAOYSA-N 1 2 200.282 1.876 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000770492514 585574875 /nfs/dbraw/zinc/57/48/75/585574875.db2.gz KLJOUFQKPFYNSF-JTQLQIEISA-N 1 2 242.282 1.820 20 30 BDEDLO C[C@H](CC#N)NN=Cc1cccc2[nH+]ccn21 ZINC000771888294 585603760 /nfs/dbraw/zinc/60/37/60/585603760.db2.gz ZXTFHNITFNOAHW-SNVBAGLBSA-N 1 2 227.271 1.560 20 30 BDEDLO C#Cc1cncc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000774017091 585648597 /nfs/dbraw/zinc/64/85/97/585648597.db2.gz BHRZMZBFKBNVRL-UHFFFAOYSA-N 1 2 240.266 1.024 20 30 BDEDLO CCC(CC)CNN=Cc1c[nH+]cn1C ZINC000774478931 585660297 /nfs/dbraw/zinc/66/02/97/585660297.db2.gz SUKYFNALWQJMSC-UHFFFAOYSA-N 1 2 208.309 1.780 20 30 BDEDLO C=C(CC)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000774991515 585670011 /nfs/dbraw/zinc/67/00/11/585670011.db2.gz MKVNMLJKXYOKBI-NSHDSACASA-N 1 2 243.372 1.933 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nccn1C)[C@H]1CCCO1 ZINC000775571374 585680547 /nfs/dbraw/zinc/68/05/47/585680547.db2.gz GKSKMIBLANUYJS-SDDRHHMPSA-N 1 2 233.315 1.252 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncc(C)cn1)[C@H]1CCCO1 ZINC000775797651 585685269 /nfs/dbraw/zinc/68/52/69/585685269.db2.gz DHHXKDGFLWMFRA-NWDGAFQWSA-N 1 2 231.299 1.055 20 30 BDEDLO CC(C)(C)C[N@H+](CCC#N)Cn1cnnc1 ZINC000776758580 585704432 /nfs/dbraw/zinc/70/44/32/585704432.db2.gz OJMQSVBVOXBCGZ-UHFFFAOYSA-N 1 2 221.308 1.497 20 30 BDEDLO CC(C)(C)C[N@@H+](CCC#N)Cn1cnnc1 ZINC000776758580 585704433 /nfs/dbraw/zinc/70/44/33/585704433.db2.gz OJMQSVBVOXBCGZ-UHFFFAOYSA-N 1 2 221.308 1.497 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000776853755 585706189 /nfs/dbraw/zinc/70/61/89/585706189.db2.gz KAUFJTNJRUKCLP-VIFPVBQESA-N 1 2 232.755 1.974 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)nc1 ZINC000779157385 585746509 /nfs/dbraw/zinc/74/65/09/585746509.db2.gz DMOQGRPMCWABRQ-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)nc1 ZINC000779157385 585746510 /nfs/dbraw/zinc/74/65/10/585746510.db2.gz DMOQGRPMCWABRQ-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO C#CCCC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000780319704 585777850 /nfs/dbraw/zinc/77/78/50/585777850.db2.gz ZHGRAGUSKSYKOW-CQSZACIVSA-N 1 2 245.322 1.774 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](CC(C)C)C(=O)OCC ZINC000782477220 585818693 /nfs/dbraw/zinc/81/86/93/585818693.db2.gz PJBOQDZRSOTOQR-LBPRGKRZSA-N 1 2 225.332 1.919 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](CC(C)C)C(=O)OCC ZINC000782477220 585818694 /nfs/dbraw/zinc/81/86/94/585818694.db2.gz PJBOQDZRSOTOQR-LBPRGKRZSA-N 1 2 225.332 1.919 20 30 BDEDLO CC(C)(C#N)C(=O)OCCCn1cc[nH+]c1 ZINC000783028098 585827259 /nfs/dbraw/zinc/82/72/59/585827259.db2.gz KSEXZSLMZNTHHG-UHFFFAOYSA-N 1 2 221.260 1.366 20 30 BDEDLO C#CCOCC[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000784079991 585848834 /nfs/dbraw/zinc/84/88/34/585848834.db2.gz PLUVPZBVCVOXHE-GFCCVEGCSA-N 1 2 241.331 1.204 20 30 BDEDLO C=C[C@](C)(CC)C(=O)OCC[NH+]1CCOCC1 ZINC000785761047 585879861 /nfs/dbraw/zinc/87/98/61/585879861.db2.gz HGFJPVVUAQFLHI-CYBMUJFWSA-N 1 2 241.331 1.464 20 30 BDEDLO C=CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000786669877 585896062 /nfs/dbraw/zinc/89/60/62/585896062.db2.gz HVLPUWCPHRBTSH-UHFFFAOYSA-N 1 2 229.283 1.982 20 30 BDEDLO N#Cc1cc(C(=O)OCCCn2cc[nH+]c2)c[nH]1 ZINC000786902549 585898613 /nfs/dbraw/zinc/89/86/13/585898613.db2.gz YLUYMISNTJMXSU-UHFFFAOYSA-N 1 2 244.254 1.330 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncnn1C(C)C)[C@H]1CCCO1 ZINC000789306534 585939546 /nfs/dbraw/zinc/93/95/46/585939546.db2.gz JWAGDGXZMKILQV-VXGBXAGGSA-N 1 2 248.330 1.129 20 30 BDEDLO Cc1cccnc1N[NH+]=Cc1cnc(N)nc1 ZINC000790192936 585960987 /nfs/dbraw/zinc/96/09/87/585960987.db2.gz KOCJQCOJAFWQJZ-UHFFFAOYSA-N 1 2 228.259 1.208 20 30 BDEDLO C=C(CO)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000791326749 585977467 /nfs/dbraw/zinc/97/74/67/585977467.db2.gz NTFCELIQFYJXGS-UHFFFAOYSA-N 1 2 243.266 1.359 20 30 BDEDLO C#CCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792089972 585995739 /nfs/dbraw/zinc/99/57/39/585995739.db2.gz UPMORWXENLGJSZ-UHFFFAOYSA-N 1 2 232.283 1.901 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(CO)ccc1F ZINC000859276276 589027200 /nfs/dbraw/zinc/02/72/00/589027200.db2.gz XETYGJPEIXXGGU-UHFFFAOYSA-N 1 2 207.248 1.383 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(CO)ccc1F ZINC000859276276 589027201 /nfs/dbraw/zinc/02/72/01/589027201.db2.gz XETYGJPEIXXGGU-UHFFFAOYSA-N 1 2 207.248 1.383 20 30 BDEDLO Nc1ccc(CN=Nc2ncncc2F)c[nH+]1 ZINC000793226817 586014912 /nfs/dbraw/zinc/01/49/12/586014912.db2.gz XYPJNCFNKGQAPV-UHFFFAOYSA-N 1 2 232.222 1.039 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)C#N ZINC000793249274 586015203 /nfs/dbraw/zinc/01/52/03/586015203.db2.gz GDBYGJAJMSAIRN-UHFFFAOYSA-N 1 2 221.260 1.056 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H]1CC2(CC2)C(=O)O1 ZINC000794744929 586047974 /nfs/dbraw/zinc/04/79/74/586047974.db2.gz KBTPGIRBHFGQLJ-LLVKDONJSA-N 1 2 234.299 1.484 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H]1CC2(CC2)C(=O)O1 ZINC000794744929 586047975 /nfs/dbraw/zinc/04/79/75/586047975.db2.gz KBTPGIRBHFGQLJ-LLVKDONJSA-N 1 2 234.299 1.484 20 30 BDEDLO C#CCC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000798421268 586143715 /nfs/dbraw/zinc/14/37/15/586143715.db2.gz LOLDFZPBGKQVAQ-LBPRGKRZSA-N 1 2 245.326 1.849 20 30 BDEDLO C#CCNC(=S)NCc1c[nH+]c(C)cc1C ZINC000840826957 586192823 /nfs/dbraw/zinc/19/28/23/586192823.db2.gz YNBDHWCUBFKLDJ-UHFFFAOYSA-N 1 2 233.340 1.296 20 30 BDEDLO CC(=NOCC(F)F)c1cn(C)c(C)[nH+]1 ZINC000800815794 586232349 /nfs/dbraw/zinc/23/23/49/586232349.db2.gz OAHKIAAOTBDCFK-UHFFFAOYSA-N 1 2 217.219 1.734 20 30 BDEDLO CC(=NOC[C@H]1CCOC1)c1cn(C)c(C)[nH+]1 ZINC000800817386 586232595 /nfs/dbraw/zinc/23/25/95/586232595.db2.gz ZGQXDBFLDJRISI-NSHDSACASA-N 1 2 237.303 1.506 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2cnn(C)c2)cn1C ZINC000800817145 586233201 /nfs/dbraw/zinc/23/32/01/586233201.db2.gz UZPIVMASUVLKLW-UHFFFAOYSA-N 1 2 232.291 1.298 20 30 BDEDLO CC#CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000801259956 586250902 /nfs/dbraw/zinc/25/09/02/586250902.db2.gz YHFLIPQOXMRIJW-NSHDSACASA-N 1 2 231.299 1.149 20 30 BDEDLO N#CCCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801565892 586263346 /nfs/dbraw/zinc/26/33/46/586263346.db2.gz JPVZNVLHPNZPDT-MRVPVSSYSA-N 1 2 204.220 1.256 20 30 BDEDLO N#CCCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801565892 586263348 /nfs/dbraw/zinc/26/33/48/586263348.db2.gz JPVZNVLHPNZPDT-MRVPVSSYSA-N 1 2 204.220 1.256 20 30 BDEDLO N#CCCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801565893 586263660 /nfs/dbraw/zinc/26/36/60/586263660.db2.gz JPVZNVLHPNZPDT-QMMMGPOBSA-N 1 2 204.220 1.256 20 30 BDEDLO N#CCCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801565893 586263662 /nfs/dbraw/zinc/26/36/62/586263662.db2.gz JPVZNVLHPNZPDT-QMMMGPOBSA-N 1 2 204.220 1.256 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+]CCO[C@@H](C)C#N)C(=O)OC ZINC000801941236 586280613 /nfs/dbraw/zinc/28/06/13/586280613.db2.gz LBEGCEMIFPOJAE-DCAQKATOSA-N 1 2 242.319 1.092 20 30 BDEDLO N#CC1CC[NH+](CN2C[C@@H]3CCC[C@H]3C2=O)CC1 ZINC000839979000 586314873 /nfs/dbraw/zinc/31/48/73/586314873.db2.gz JOYIJAXUDYBHKF-QWHCGFSZSA-N 1 2 247.342 1.438 20 30 BDEDLO C#CCCCC(=O)OCCCc1[nH+]ccn1C ZINC000802789680 586315107 /nfs/dbraw/zinc/31/51/07/586315107.db2.gz DTGSDZLSVIOQOJ-UHFFFAOYSA-N 1 2 234.299 1.699 20 30 BDEDLO CC[C@](C)(C#N)C(=O)OCCn1cc[nH+]c1 ZINC000802815147 586316120 /nfs/dbraw/zinc/31/61/20/586316120.db2.gz MTAUOIHGPDYDSD-LLVKDONJSA-N 1 2 221.260 1.366 20 30 BDEDLO Cn1ncc(C/[NH+]=C/c2ccccc2O)n1 ZINC000804598763 586402028 /nfs/dbraw/zinc/40/20/28/586402028.db2.gz PWBWJISDUUKMMK-WUXMJOGZSA-N 1 2 216.244 1.140 20 30 BDEDLO CCN(C)c1ccc(C=[NH+]Nc2ncn[nH]2)cn1 ZINC000807997161 586456272 /nfs/dbraw/zinc/45/62/72/586456272.db2.gz SOHIRNRYZYSIFJ-UHFFFAOYSA-N 1 2 245.290 1.102 20 30 BDEDLO CCN(C)c1ccc(C=[NH+]Nc2nnc[nH]2)cn1 ZINC000807997161 586456274 /nfs/dbraw/zinc/45/62/74/586456274.db2.gz SOHIRNRYZYSIFJ-UHFFFAOYSA-N 1 2 245.290 1.102 20 30 BDEDLO C(=NN[C@H]1CCSC1)c1cccc2[nH+]ccn21 ZINC000808001039 586457892 /nfs/dbraw/zinc/45/78/92/586457892.db2.gz FHTCBXYVFSYPJC-JTQLQIEISA-N 1 2 246.339 1.763 20 30 BDEDLO CON=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000809570818 586507425 /nfs/dbraw/zinc/50/74/25/586507425.db2.gz ARDUOJHRZBHWOE-UHFFFAOYSA-N 1 2 232.243 1.442 20 30 BDEDLO CON=CC(=O)Nc1ccc2[nH+]c(C)[nH]c2c1 ZINC000809570818 586507426 /nfs/dbraw/zinc/50/74/26/586507426.db2.gz ARDUOJHRZBHWOE-UHFFFAOYSA-N 1 2 232.243 1.442 20 30 BDEDLO COC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(C)o1 ZINC000809577816 586508182 /nfs/dbraw/zinc/50/81/82/586508182.db2.gz DYFLJXSAXTUUKV-GHMZBOCLSA-N 1 2 238.287 1.140 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000809648727 586510740 /nfs/dbraw/zinc/51/07/40/586510740.db2.gz KUZVLIWKZFTTFU-LBPRGKRZSA-N 1 2 242.322 1.330 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000809648727 586510741 /nfs/dbraw/zinc/51/07/41/586510741.db2.gz KUZVLIWKZFTTFU-LBPRGKRZSA-N 1 2 242.322 1.330 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CCCO1 ZINC000810152935 586535367 /nfs/dbraw/zinc/53/53/67/586535367.db2.gz HPMQAPARFYRYCB-WDEREUQCSA-N 1 2 247.323 1.285 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)C#Cc1ccccc1 ZINC000813257095 586598685 /nfs/dbraw/zinc/59/86/85/586598685.db2.gz PFJAMYGIVAVXEN-UHFFFAOYSA-N 1 2 239.278 1.088 20 30 BDEDLO Cn1cc(C=[NH+]N[C@@H]2CCCC2(C)C)c(=O)[nH]1 ZINC000814227515 586618448 /nfs/dbraw/zinc/61/84/48/586618448.db2.gz IMYKXTSKUWQHKW-SNVBAGLBSA-N 1 2 236.319 1.628 20 30 BDEDLO CC(=[NH+]Nc1ccccn1)c1ccc(N)nc1 ZINC000814731746 586631341 /nfs/dbraw/zinc/63/13/41/586631341.db2.gz HOVRUBIKZMJOAV-UHFFFAOYSA-N 1 2 227.271 1.895 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccnc1Cl ZINC000814919748 586650814 /nfs/dbraw/zinc/65/08/14/586650814.db2.gz ZIOQCBJEOWPBSD-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO Cc1ccc(C(C)N=Nc2nc[nH]n2)c(C)[nH+]1 ZINC000814931999 586653287 /nfs/dbraw/zinc/65/32/87/586653287.db2.gz KCDGTNSVPCYOQC-UHFFFAOYSA-N 1 2 230.275 1.653 20 30 BDEDLO C=CCOCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000815111641 586667403 /nfs/dbraw/zinc/66/74/03/586667403.db2.gz DLGHWHLPSWMJGI-VIFPVBQESA-N 1 2 221.247 1.155 20 30 BDEDLO C=CCOCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000815111641 586667405 /nfs/dbraw/zinc/66/74/05/586667405.db2.gz DLGHWHLPSWMJGI-VIFPVBQESA-N 1 2 221.247 1.155 20 30 BDEDLO C=CCC(F)(F)C(=O)OCCn1cc[nH+]c1 ZINC000815311407 586678323 /nfs/dbraw/zinc/67/83/23/586678323.db2.gz JSMFECUTFMKOPI-UHFFFAOYSA-N 1 2 230.214 1.638 20 30 BDEDLO COc1cccc2c1C[N@H+](CCOCCC#N)C2 ZINC000859940129 589072341 /nfs/dbraw/zinc/07/23/41/589072341.db2.gz YZHUFHCRQHEWOS-UHFFFAOYSA-N 1 2 246.310 1.941 20 30 BDEDLO COc1cccc2c1C[N@@H+](CCOCCC#N)C2 ZINC000859940129 589072344 /nfs/dbraw/zinc/07/23/44/589072344.db2.gz YZHUFHCRQHEWOS-UHFFFAOYSA-N 1 2 246.310 1.941 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NC1=[NH+]CCS1 ZINC000819031131 586925830 /nfs/dbraw/zinc/92/58/30/586925830.db2.gz GXFNIRAYLFNBGJ-UHFFFAOYSA-N 1 2 212.318 1.808 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000819729125 586988949 /nfs/dbraw/zinc/98/89/49/586988949.db2.gz CRILCBZWIKGQQB-UHFFFAOYSA-N 1 2 239.666 1.302 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN1CCC[C@H]1CO ZINC000819812578 586997220 /nfs/dbraw/zinc/99/72/20/586997220.db2.gz DSYKMCMGZFYFSD-NSHDSACASA-N 1 2 236.319 1.255 20 30 BDEDLO CC[C@@H](O)CNN=Cc1c[nH+]cn1C(C)C ZINC000819814190 586998113 /nfs/dbraw/zinc/99/81/13/586998113.db2.gz YKVXTZVDVTYXLN-LLVKDONJSA-N 1 2 224.308 1.158 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)CO ZINC000820619264 587059675 /nfs/dbraw/zinc/05/96/75/587059675.db2.gz GKCQGPPPGXTOLG-LLVKDONJSA-N 1 2 234.299 1.667 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822472638 587170173 /nfs/dbraw/zinc/17/01/73/587170173.db2.gz MLOTZZJHKLEQPX-CHWSQXEVSA-N 1 2 247.342 1.950 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000825710033 587333421 /nfs/dbraw/zinc/33/34/21/587333421.db2.gz FWJPGJMUNDFNEO-QMMMGPOBSA-N 1 2 245.248 1.892 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000825710033 587333423 /nfs/dbraw/zinc/33/34/23/587333423.db2.gz FWJPGJMUNDFNEO-QMMMGPOBSA-N 1 2 245.248 1.892 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000825710629 587333452 /nfs/dbraw/zinc/33/34/52/587333452.db2.gz WADCRSAKMIVEOJ-MRVPVSSYSA-N 1 2 245.248 1.892 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000825710629 587333454 /nfs/dbraw/zinc/33/34/54/587333454.db2.gz WADCRSAKMIVEOJ-MRVPVSSYSA-N 1 2 245.248 1.892 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000827049871 587368901 /nfs/dbraw/zinc/36/89/01/587368901.db2.gz ALOJHZJATSVVPD-FJOGCWAESA-N 1 2 245.326 1.858 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn[nH]c1C)C1CCOCC1 ZINC000827569469 587388806 /nfs/dbraw/zinc/38/88/06/587388806.db2.gz BKLCKFYKBQXGKI-ZDUSSCGKSA-N 1 2 233.315 1.236 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCc1[nH]cc(C)[nH+]1 ZINC000827582506 587389865 /nfs/dbraw/zinc/38/98/65/587389865.db2.gz NJVCYXWEUKBSRM-SNVBAGLBSA-N 1 2 221.304 1.937 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCCO1 ZINC000828307551 587433609 /nfs/dbraw/zinc/43/36/09/587433609.db2.gz QFLFSHIXXXRIJL-KBPBESRZSA-N 1 2 241.294 1.224 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000828621503 587454345 /nfs/dbraw/zinc/45/43/45/587454345.db2.gz LUEIUCIQUIYNHV-QWHCGFSZSA-N 1 2 223.316 1.137 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCC[C@H]1CCOC1 ZINC000828621503 587454347 /nfs/dbraw/zinc/45/43/47/587454347.db2.gz LUEIUCIQUIYNHV-QWHCGFSZSA-N 1 2 223.316 1.137 20 30 BDEDLO C[N@H+](CCC#N)C[C@@]1(O)CCc2ccccc21 ZINC000829311493 587492210 /nfs/dbraw/zinc/49/22/10/587492210.db2.gz YOPRATHJGZHHBE-AWEZNQCLSA-N 1 2 230.311 1.666 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@]1(O)CCc2ccccc21 ZINC000829311493 587492212 /nfs/dbraw/zinc/49/22/12/587492212.db2.gz YOPRATHJGZHHBE-AWEZNQCLSA-N 1 2 230.311 1.666 20 30 BDEDLO C=C1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000830990963 587580712 /nfs/dbraw/zinc/58/07/12/587580712.db2.gz PMALCXSVZOVFOZ-UHFFFAOYSA-N 1 2 233.315 1.815 20 30 BDEDLO COCCN(CC#N)Cc1cccc2[nH+]ccn21 ZINC000835067491 587780018 /nfs/dbraw/zinc/78/00/18/587780018.db2.gz HHCFGZJZKGPBGG-UHFFFAOYSA-N 1 2 244.298 1.306 20 30 BDEDLO C#CCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000836300760 587830237 /nfs/dbraw/zinc/83/02/37/587830237.db2.gz GFVULMRYCMXYGK-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO C=CCONC(=O)Nc1cc(C)[nH+]cc1C ZINC000836483594 587834116 /nfs/dbraw/zinc/83/41/16/587834116.db2.gz AUMYVCIOUWSJKJ-UHFFFAOYSA-N 1 2 221.260 1.359 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2=CC[C@@H](C)CC2)CC1 ZINC000836699663 587835902 /nfs/dbraw/zinc/83/59/02/587835902.db2.gz ZTELLEXGEIDGKZ-CYBMUJFWSA-N 1 2 246.354 1.510 20 30 BDEDLO C#CCO[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837101279 587853791 /nfs/dbraw/zinc/85/37/91/587853791.db2.gz RUUTVNUFLFZOKJ-GFCCVEGCSA-N 1 2 246.310 1.353 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840953878 587932041 /nfs/dbraw/zinc/93/20/41/587932041.db2.gz BYXGYIIDVMIJCO-AWEZNQCLSA-N 1 2 233.286 1.838 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840953878 587932042 /nfs/dbraw/zinc/93/20/42/587932042.db2.gz BYXGYIIDVMIJCO-AWEZNQCLSA-N 1 2 233.286 1.838 20 30 BDEDLO Cc1cc(N(C)C)ccc1C=[NH+]Nc1ncn[nH]1 ZINC000841636722 587963994 /nfs/dbraw/zinc/96/39/94/587963994.db2.gz CRXULHGYLTYNBV-UHFFFAOYSA-N 1 2 244.302 1.625 20 30 BDEDLO Cc1cc(N(C)C)ccc1C=[NH+]Nc1nnc[nH]1 ZINC000841636722 587963996 /nfs/dbraw/zinc/96/39/96/587963996.db2.gz CRXULHGYLTYNBV-UHFFFAOYSA-N 1 2 244.302 1.625 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@H](C)C(F)(F)F ZINC000841641842 587965609 /nfs/dbraw/zinc/96/56/09/587965609.db2.gz XFMGFNGRSLNECO-SSDOTTSWSA-N 1 2 234.225 1.777 20 30 BDEDLO Cc1cccn2c(C=NN(C)C[C@@H](C)O)c[nH+]c12 ZINC000841651997 587967427 /nfs/dbraw/zinc/96/74/27/587967427.db2.gz PWIDBMLFECIUCP-LLVKDONJSA-N 1 2 246.314 1.289 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN1CCC[C@@H]1CO ZINC000841657375 587968614 /nfs/dbraw/zinc/96/86/14/587968614.db2.gz JYRASMVHOVFUTC-CQSZACIVSA-N 1 2 247.342 1.765 20 30 BDEDLO C[C@H](O)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000842019016 587989581 /nfs/dbraw/zinc/98/95/81/587989581.db2.gz FCNCVTOEDKZJGO-QMMMGPOBSA-N 1 2 226.251 1.234 20 30 BDEDLO C#CC1CC[NH+](Cn2ncn(C)c2=S)CC1 ZINC000842634574 588047441 /nfs/dbraw/zinc/04/74/41/588047441.db2.gz YDUUQZCJMMRDAT-UHFFFAOYSA-N 1 2 236.344 1.254 20 30 BDEDLO C#CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000844047184 588158173 /nfs/dbraw/zinc/15/81/73/588158173.db2.gz MZMHTBHGDJNUCD-UHFFFAOYSA-N 1 2 245.326 1.225 20 30 BDEDLO Oc1ccccc1/C=[NH+]/CC[C@]1(O)CCOC1 ZINC000844269294 588178296 /nfs/dbraw/zinc/17/82/96/588178296.db2.gz BICUANFKXZMHGL-FYQHACEVSA-N 1 2 235.283 1.353 20 30 BDEDLO C#CC[N@@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000844364614 588187735 /nfs/dbraw/zinc/18/77/35/588187735.db2.gz FQZKLPAVYJRFPM-GHMZBOCLSA-N 1 2 223.316 1.814 20 30 BDEDLO C#CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000844364614 588187736 /nfs/dbraw/zinc/18/77/36/588187736.db2.gz FQZKLPAVYJRFPM-GHMZBOCLSA-N 1 2 223.316 1.814 20 30 BDEDLO C[C@H](CC(=O)O[C@@H](C)CC#N)n1cc[nH+]c1 ZINC000845468519 588229451 /nfs/dbraw/zinc/22/94/51/588229451.db2.gz MWBDJNLATXZWDL-ZJUUUORDSA-N 1 2 221.260 1.680 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846014282 588253711 /nfs/dbraw/zinc/25/37/11/588253711.db2.gz FFWIWWNPVXTRSL-NSHDSACASA-N 1 2 245.326 1.242 20 30 BDEDLO C=C(C)CONC(=O)CCCn1cc[nH+]c1 ZINC000846538599 588272409 /nfs/dbraw/zinc/27/24/09/588272409.db2.gz KGLOAVSHZHUBFX-UHFFFAOYSA-N 1 2 223.276 1.287 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000846549905 588275562 /nfs/dbraw/zinc/27/55/62/588275562.db2.gz KXHMUUDTYLZVDL-VHSXEESVSA-N 1 2 235.287 1.068 20 30 BDEDLO CCN1C[C@@H](C[N@H+](C)[C@H](C)CC#N)OC1=O ZINC000846816517 588290703 /nfs/dbraw/zinc/29/07/03/588290703.db2.gz XUOHJGALHJAZQB-NXEZZACHSA-N 1 2 225.292 1.061 20 30 BDEDLO CCN1C[C@@H](C[N@@H+](C)[C@H](C)CC#N)OC1=O ZINC000846816517 588290704 /nfs/dbraw/zinc/29/07/04/588290704.db2.gz XUOHJGALHJAZQB-NXEZZACHSA-N 1 2 225.292 1.061 20 30 BDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847024917 588303779 /nfs/dbraw/zinc/30/37/79/588303779.db2.gz GSLHVBGDQWRVBV-ZWNOBZJWSA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000847165307 588308167 /nfs/dbraw/zinc/30/81/67/588308167.db2.gz SDGDJOBJPMUYNI-GFCCVEGCSA-N 1 2 243.310 1.689 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848245480 588366926 /nfs/dbraw/zinc/36/69/26/588366926.db2.gz MAZHLCYITTYOGF-BDAKNGLRSA-N 1 2 223.276 1.211 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848245480 588366927 /nfs/dbraw/zinc/36/69/27/588366927.db2.gz MAZHLCYITTYOGF-BDAKNGLRSA-N 1 2 223.276 1.211 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000848274724 588369450 /nfs/dbraw/zinc/36/94/50/588369450.db2.gz CNVCVEMVIUPIIO-NWDGAFQWSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000848274724 588369452 /nfs/dbraw/zinc/36/94/52/588369452.db2.gz CNVCVEMVIUPIIO-NWDGAFQWSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000848279033 588369791 /nfs/dbraw/zinc/36/97/91/588369791.db2.gz PFCKKPAPCKPOGZ-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000848279033 588369793 /nfs/dbraw/zinc/36/97/93/588369793.db2.gz PFCKKPAPCKPOGZ-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO C[NH+](C)[C@H](C(=O)NO)c1ccc(Cl)cc1 ZINC000848370670 588374347 /nfs/dbraw/zinc/37/43/47/588374347.db2.gz FWQDVPAUHZILKI-VIFPVBQESA-N 1 2 228.679 1.448 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ncc[nH]1 ZINC000848417388 588381666 /nfs/dbraw/zinc/38/16/66/588381666.db2.gz XLQULRGYMOXONU-UHFFFAOYSA-N 1 2 232.291 1.010 20 30 BDEDLO Cc1ncsc1C=NNCCCn1cc[nH+]c1 ZINC000848417966 588382238 /nfs/dbraw/zinc/38/22/38/588382238.db2.gz HFXNYESSJQRBLH-UHFFFAOYSA-N 1 2 249.343 1.662 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000848494099 588387886 /nfs/dbraw/zinc/38/78/86/588387886.db2.gz UWAFYYKTPQDWMH-JTQLQIEISA-N 1 2 222.313 1.213 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cn2ccsc2=O)C1 ZINC000848494099 588387888 /nfs/dbraw/zinc/38/78/88/588387888.db2.gz UWAFYYKTPQDWMH-JTQLQIEISA-N 1 2 222.313 1.213 20 30 BDEDLO C#CCSCCNc1nc[nH+]c(C)c1OC ZINC000848665811 588404704 /nfs/dbraw/zinc/40/47/04/588404704.db2.gz NFVHVFLKESJRRZ-UHFFFAOYSA-N 1 2 237.328 1.572 20 30 BDEDLO COC(=O)/C=C\c1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000848902278 588418695 /nfs/dbraw/zinc/41/86/95/588418695.db2.gz MLNPYVBDPNVKCV-WWQCOOJYSA-N 1 2 248.282 1.715 20 30 BDEDLO C=CCCn1cc(C[NH2+]CC(=C)Cl)nn1 ZINC000850145618 588521652 /nfs/dbraw/zinc/52/16/52/588521652.db2.gz PVZMNBZVJAEXCA-UHFFFAOYSA-N 1 2 226.711 1.696 20 30 BDEDLO C[C@H](CC#N)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000851026937 588584685 /nfs/dbraw/zinc/58/46/85/588584685.db2.gz QMCHSOLAEBRWHR-SNVBAGLBSA-N 1 2 247.298 1.741 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851744430 588621809 /nfs/dbraw/zinc/62/18/09/588621809.db2.gz FEQBNBZMFLJXQG-ZYHUDNBSSA-N 1 2 219.288 1.206 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851744430 588621810 /nfs/dbraw/zinc/62/18/10/588621810.db2.gz FEQBNBZMFLJXQG-ZYHUDNBSSA-N 1 2 219.288 1.206 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(OCC)s1 ZINC000852099185 588662868 /nfs/dbraw/zinc/66/28/68/588662868.db2.gz GLEMSCBFVNFQOJ-LLVKDONJSA-N 1 2 239.344 1.828 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(COC)no1 ZINC000852100097 588662874 /nfs/dbraw/zinc/66/28/74/588662874.db2.gz FBFIDKRKHSOGSI-JOYOIKCWSA-N 1 2 237.303 1.669 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc([C@H](C)OC)no1 ZINC000852101922 588663057 /nfs/dbraw/zinc/66/30/57/588663057.db2.gz IJALGVOQNYDZJQ-CABZTGNLSA-N 1 2 237.303 1.669 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000852205943 588672011 /nfs/dbraw/zinc/67/20/11/588672011.db2.gz BDXXKKWLFYIMNQ-LLVKDONJSA-N 1 2 218.304 1.083 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000852205943 588672012 /nfs/dbraw/zinc/67/20/12/588672012.db2.gz BDXXKKWLFYIMNQ-LLVKDONJSA-N 1 2 218.304 1.083 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC(C)C)[C@@H](C)COC ZINC000852357210 588679929 /nfs/dbraw/zinc/67/99/29/588679929.db2.gz XQRBFRHASYUOST-LBPRGKRZSA-N 1 2 243.347 1.709 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC(C)C)[C@@H](C)COC ZINC000852357210 588679930 /nfs/dbraw/zinc/67/99/30/588679930.db2.gz XQRBFRHASYUOST-LBPRGKRZSA-N 1 2 243.347 1.709 20 30 BDEDLO C#CC[N@@H+](CC[C@H](C)O)CC(=O)OC(C)(C)C ZINC000852427362 588681159 /nfs/dbraw/zinc/68/11/59/588681159.db2.gz WTOPUPGHVYIUBN-NSHDSACASA-N 1 2 241.331 1.034 20 30 BDEDLO C#CC[N@H+](CC[C@H](C)O)CC(=O)OC(C)(C)C ZINC000852427362 588681160 /nfs/dbraw/zinc/68/11/60/588681160.db2.gz WTOPUPGHVYIUBN-NSHDSACASA-N 1 2 241.331 1.034 20 30 BDEDLO CN(C)c1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccn1 ZINC000852685828 588695888 /nfs/dbraw/zinc/69/58/88/588695888.db2.gz DNQSRYZMWQTVPL-CQSZACIVSA-N 1 2 244.342 1.883 20 30 BDEDLO CN(C)c1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccn1 ZINC000852685828 588695889 /nfs/dbraw/zinc/69/58/89/588695889.db2.gz DNQSRYZMWQTVPL-CQSZACIVSA-N 1 2 244.342 1.883 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nccc(C)n1 ZINC000852751021 588700090 /nfs/dbraw/zinc/70/00/90/588700090.db2.gz MUUJFUIYUPWIAL-UHFFFAOYSA-N 1 2 233.315 1.257 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nccc(C)n1 ZINC000852751021 588700091 /nfs/dbraw/zinc/70/00/91/588700091.db2.gz MUUJFUIYUPWIAL-UHFFFAOYSA-N 1 2 233.315 1.257 20 30 BDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759488 588700630 /nfs/dbraw/zinc/70/06/30/588700630.db2.gz PSXQQPPIPXRIBE-BDAKNGLRSA-N 1 2 248.248 1.009 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759488 588700631 /nfs/dbraw/zinc/70/06/31/588700631.db2.gz PSXQQPPIPXRIBE-BDAKNGLRSA-N 1 2 248.248 1.009 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(F)c1C ZINC000862247471 589196965 /nfs/dbraw/zinc/19/69/65/589196965.db2.gz XPVUABBXHVIUJA-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccnc(F)c1C ZINC000862247471 589196970 /nfs/dbraw/zinc/19/69/70/589196970.db2.gz XPVUABBXHVIUJA-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000862573218 589224825 /nfs/dbraw/zinc/22/48/25/589224825.db2.gz VKLVOKJFVAQWKL-GFCCVEGCSA-N 1 2 245.326 1.225 20 30 BDEDLO CC(C)C(Cn1cccn1)=[NH+]n1cccn1 ZINC000863163472 589266039 /nfs/dbraw/zinc/26/60/39/589266039.db2.gz FCPHUMPVWDVGFV-UHFFFAOYSA-N 1 2 217.276 1.640 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000863942820 589328765 /nfs/dbraw/zinc/32/87/65/589328765.db2.gz BOFIODLSUSKBIC-LBPRGKRZSA-N 1 2 247.342 1.869 20 30 BDEDLO C#CCCNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865852668 589465085 /nfs/dbraw/zinc/46/50/85/589465085.db2.gz VWOBTEVUXBNPGB-SNVBAGLBSA-N 1 2 244.285 1.103 20 30 BDEDLO C#CCCNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000865852668 589465086 /nfs/dbraw/zinc/46/50/86/589465086.db2.gz VWOBTEVUXBNPGB-SNVBAGLBSA-N 1 2 244.285 1.103 20 30 BDEDLO COC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866213359 589480814 /nfs/dbraw/zinc/48/08/14/589480814.db2.gz PRAFJZGEVRREQB-ZJUUUORDSA-N 1 2 234.299 1.949 20 30 BDEDLO C=C(Cl)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868276227 589553169 /nfs/dbraw/zinc/55/31/69/589553169.db2.gz ZDTZFGFXJXTGHT-UHFFFAOYSA-N 1 2 228.683 1.304 20 30 BDEDLO C#C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000868575596 589565060 /nfs/dbraw/zinc/56/50/60/589565060.db2.gz FNYWHEYITVTUMT-JTQLQIEISA-N 1 2 234.303 1.209 20 30 BDEDLO C1[C@@H]2[C@H]1CCC2N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000872360060 589918880 /nfs/dbraw/zinc/91/88/80/589918880.db2.gz ZCEJDARGZRXHMZ-QCMRWSPLSA-N 1 2 232.331 1.632 20 30 BDEDLO NC(Cc1ccccc1)=[NH+]OCC1CC1 ZINC000124070058 589923951 /nfs/dbraw/zinc/92/39/51/589923951.db2.gz GLMODKQBXDVWGC-UHFFFAOYSA-N 1 2 204.273 1.928 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1cnsc1 ZINC000872387201 589930335 /nfs/dbraw/zinc/93/03/35/589930335.db2.gz HGTXIERMJDJVQQ-UHFFFAOYSA-N 1 2 235.316 1.353 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872599952 589955720 /nfs/dbraw/zinc/95/57/20/589955720.db2.gz CTHODUVERXWRKS-NSHDSACASA-N 1 2 223.320 1.352 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872599952 589955722 /nfs/dbraw/zinc/95/57/22/589955722.db2.gz CTHODUVERXWRKS-NSHDSACASA-N 1 2 223.320 1.352 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC)CCC)CC1 ZINC000874467413 590113778 /nfs/dbraw/zinc/11/37/78/590113778.db2.gz NALIUBUOLOXSHG-ZDUSSCGKSA-N 1 2 236.359 1.590 20 30 BDEDLO CCC[C@H](CC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000875704220 590169225 /nfs/dbraw/zinc/16/92/25/590169225.db2.gz BILPNWZLMQRBTP-WCQYABFASA-N 1 2 239.363 1.773 20 30 BDEDLO N#C[C@H]1C[N@H+](CCC[C@@H]2CCO2)CCN1C1CC1 ZINC000876735081 590234343 /nfs/dbraw/zinc/23/43/43/590234343.db2.gz YVTOKDPCYUHWDY-UONOGXRCSA-N 1 2 249.358 1.228 20 30 BDEDLO N#C[C@H]1C[N@@H+](CCC[C@@H]2CCO2)CCN1C1CC1 ZINC000876735081 590234344 /nfs/dbraw/zinc/23/43/44/590234344.db2.gz YVTOKDPCYUHWDY-UONOGXRCSA-N 1 2 249.358 1.228 20 30 BDEDLO COc1c(C)c[nH+]c(CNC[C@@H](C)C#N)c1C ZINC000877320932 590315552 /nfs/dbraw/zinc/31/55/52/590315552.db2.gz BNBLMXUEBJAKNK-VIFPVBQESA-N 1 2 233.315 1.956 20 30 BDEDLO COc1c(C)cnc(C[NH2+]C[C@@H](C)C#N)c1C ZINC000877320932 590315555 /nfs/dbraw/zinc/31/55/55/590315555.db2.gz BNBLMXUEBJAKNK-VIFPVBQESA-N 1 2 233.315 1.956 20 30 BDEDLO C=CC[N@@H+](C)Cc1cc(OC)cnc1F ZINC000877427065 590325239 /nfs/dbraw/zinc/32/52/39/590325239.db2.gz USFWNAUKUUZYIF-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO C=CC[N@H+](C)Cc1cc(OC)cnc1F ZINC000877427065 590325241 /nfs/dbraw/zinc/32/52/41/590325241.db2.gz USFWNAUKUUZYIF-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)OC ZINC000877584223 590366743 /nfs/dbraw/zinc/36/67/43/590366743.db2.gz XQNXVMIFHCVKPV-WRWGMCAJSA-N 1 2 221.300 1.187 20 30 BDEDLO CCCn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000877623163 590377322 /nfs/dbraw/zinc/37/73/22/590377322.db2.gz YIRBBPQVSSCQCG-LBPRGKRZSA-N 1 2 247.346 1.814 20 30 BDEDLO CCCn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000877623163 590377325 /nfs/dbraw/zinc/37/73/25/590377325.db2.gz YIRBBPQVSSCQCG-LBPRGKRZSA-N 1 2 247.346 1.814 20 30 BDEDLO CCOC(=O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000877704119 590397284 /nfs/dbraw/zinc/39/72/84/590397284.db2.gz IIPQEYOLZMNBKE-UHFFFAOYSA-N 1 2 246.310 1.596 20 30 BDEDLO CCOC(=O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704119 590397286 /nfs/dbraw/zinc/39/72/86/590397286.db2.gz IIPQEYOLZMNBKE-UHFFFAOYSA-N 1 2 246.310 1.596 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@@H]1CC=CCC1 ZINC000877709218 590398694 /nfs/dbraw/zinc/39/86/94/590398694.db2.gz OFJIICLNJKHUFR-GFCCVEGCSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H]1CC=CCC1 ZINC000877709218 590398696 /nfs/dbraw/zinc/39/86/96/590398696.db2.gz OFJIICLNJKHUFR-GFCCVEGCSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CCC(C)C ZINC000877710452 590398913 /nfs/dbraw/zinc/39/89/13/590398913.db2.gz LTRRZITXCYENJF-UHFFFAOYSA-N 1 2 212.293 1.421 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CCC(C)C ZINC000877710452 590398916 /nfs/dbraw/zinc/39/89/16/590398916.db2.gz LTRRZITXCYENJF-UHFFFAOYSA-N 1 2 212.293 1.421 20 30 BDEDLO Cc1conc1C[NH+]1CCC(C#N)CC1 ZINC000878015616 590471315 /nfs/dbraw/zinc/47/13/15/590471315.db2.gz AOBCOUDGICBQLN-UHFFFAOYSA-N 1 2 205.261 1.719 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000878383513 590557385 /nfs/dbraw/zinc/55/73/85/590557385.db2.gz RMLWFXVHPWKTSO-HBNTYKKESA-N 1 2 229.295 1.784 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000878383513 590557388 /nfs/dbraw/zinc/55/73/88/590557388.db2.gz RMLWFXVHPWKTSO-HBNTYKKESA-N 1 2 229.295 1.784 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000878383514 590557922 /nfs/dbraw/zinc/55/79/22/590557922.db2.gz RMLWFXVHPWKTSO-OUAUKWLOSA-N 1 2 229.295 1.784 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000878383514 590557923 /nfs/dbraw/zinc/55/79/23/590557923.db2.gz RMLWFXVHPWKTSO-OUAUKWLOSA-N 1 2 229.295 1.784 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@](C)(CC)C1 ZINC000878484165 590576888 /nfs/dbraw/zinc/57/68/88/590576888.db2.gz LTBNENFCUHPVIF-WCQYABFASA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000878484165 590576889 /nfs/dbraw/zinc/57/68/89/590576889.db2.gz LTBNENFCUHPVIF-WCQYABFASA-N 1 2 241.331 1.605 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878501519 590580726 /nfs/dbraw/zinc/58/07/26/590580726.db2.gz QKVYLGAMAVQWIQ-NSHDSACASA-N 1 2 223.316 1.672 20 30 BDEDLO C#CC[N@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878501519 590580727 /nfs/dbraw/zinc/58/07/27/590580727.db2.gz QKVYLGAMAVQWIQ-NSHDSACASA-N 1 2 223.316 1.672 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(F)(F)CC1 ZINC000878542522 590589473 /nfs/dbraw/zinc/58/94/73/590589473.db2.gz MCAAMOZHMZDDHU-VIFPVBQESA-N 1 2 233.258 1.835 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)OC ZINC000878673141 590607420 /nfs/dbraw/zinc/60/74/20/590607420.db2.gz MYIKQUOBHOAPHX-NXEZZACHSA-N 1 2 211.305 1.882 20 30 BDEDLO C=CC[C@@H](C)[NH+]1CC(S(=O)(=O)CC)C1 ZINC000878681348 590608588 /nfs/dbraw/zinc/60/85/88/590608588.db2.gz NXBLZEWPXLSYLT-SECBINFHSA-N 1 2 217.334 1.070 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@H]1OCC)C(=O)OC ZINC000878689623 590610398 /nfs/dbraw/zinc/61/03/98/590610398.db2.gz FDYINODYLOEZHS-GRYCIOLGSA-N 1 2 241.331 1.651 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccn(C)n1 ZINC000878705497 590612817 /nfs/dbraw/zinc/61/28/17/590612817.db2.gz YNUHAVYBDMFUCS-VIFPVBQESA-N 1 2 230.271 1.736 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1[nH+]ccn1C ZINC000878721489 590615612 /nfs/dbraw/zinc/61/56/12/590615612.db2.gz GLCCLKFNZMAGGH-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000878816920 590627502 /nfs/dbraw/zinc/62/75/02/590627502.db2.gz XPENHYQEWAKRQV-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OC(C)C ZINC000127456031 590675520 /nfs/dbraw/zinc/67/55/20/590675520.db2.gz XBOKEHYANOTATA-SECBINFHSA-N 1 2 202.298 1.745 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CCC1CCC1 ZINC000879471996 590775933 /nfs/dbraw/zinc/77/59/33/590775933.db2.gz MIHYGKSVVVMUQC-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CCC1CCC1 ZINC000879471996 590775937 /nfs/dbraw/zinc/77/59/37/590775937.db2.gz MIHYGKSVVVMUQC-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO COc1cc(C#N)ccc1NCc1[nH+]ccn1C ZINC000127985564 590864197 /nfs/dbraw/zinc/86/41/97/590864197.db2.gz FMFIHDZFDPWFCX-UHFFFAOYSA-N 1 2 242.282 1.912 20 30 BDEDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCCC#N ZINC000879981936 590903883 /nfs/dbraw/zinc/90/38/83/590903883.db2.gz XOFVVVFALXOALB-LLVKDONJSA-N 1 2 224.304 1.612 20 30 BDEDLO N#CCC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223575 590960100 /nfs/dbraw/zinc/96/01/00/590960100.db2.gz KIEITXYWUCFOAD-BETUJISGSA-N 1 2 216.284 1.540 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CCCCC)CC1 ZINC000128357586 591003347 /nfs/dbraw/zinc/00/33/47/591003347.db2.gz LQYGPZXACNVUQP-UHFFFAOYSA-N 1 2 222.332 1.344 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2cc(C)on2)CC1 ZINC000880477048 591054501 /nfs/dbraw/zinc/05/45/01/591054501.db2.gz BHAHZWIZMPRVIP-UHFFFAOYSA-N 1 2 234.299 1.333 20 30 BDEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000880851502 591146422 /nfs/dbraw/zinc/14/64/22/591146422.db2.gz SSEQUIPEKCUFOI-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000880851502 591146423 /nfs/dbraw/zinc/14/64/23/591146423.db2.gz SSEQUIPEKCUFOI-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC(C)(C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000880851503 591147170 /nfs/dbraw/zinc/14/71/70/591147170.db2.gz SSEQUIPEKCUFOI-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC(C)(C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000880851503 591147172 /nfs/dbraw/zinc/14/71/72/591147172.db2.gz SSEQUIPEKCUFOI-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO NC(=O)[C@@H]1CCC[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000130114054 591437535 /nfs/dbraw/zinc/43/75/35/591437535.db2.gz BBOYZWPFJNATLL-CCKCTFHRSA-N 1 2 246.310 1.855 20 30 BDEDLO C#CC1(F)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000882886054 591463320 /nfs/dbraw/zinc/46/33/20/591463320.db2.gz BBPLXPVSHIFACZ-UHFFFAOYSA-N 1 2 230.246 1.428 20 30 BDEDLO C[N@H+](CC(F)F)C[C@H](O)CC1(C#N)CCC1 ZINC000885986152 592122070 /nfs/dbraw/zinc/12/20/70/592122070.db2.gz ZPTXBYWKXQMUJT-SECBINFHSA-N 1 2 232.274 1.628 20 30 BDEDLO C[N@@H+](CC(F)F)C[C@H](O)CC1(C#N)CCC1 ZINC000885986152 592122072 /nfs/dbraw/zinc/12/20/72/592122072.db2.gz ZPTXBYWKXQMUJT-SECBINFHSA-N 1 2 232.274 1.628 20 30 BDEDLO C=CC[N@@H+](Cc1[nH]ncc1C)[C@H](C)COC ZINC000886275834 592195295 /nfs/dbraw/zinc/19/52/95/592195295.db2.gz NTPLTZDEIFYITQ-LLVKDONJSA-N 1 2 223.320 1.741 20 30 BDEDLO C=CC[N@H+](Cc1n[nH]cc1C)[C@H](C)COC ZINC000886275834 592195297 /nfs/dbraw/zinc/19/52/97/592195297.db2.gz NTPLTZDEIFYITQ-LLVKDONJSA-N 1 2 223.320 1.741 20 30 BDEDLO C=CC[N@@H+](Cc1n[nH]cc1C)[C@H](C)COC ZINC000886275834 592195298 /nfs/dbraw/zinc/19/52/98/592195298.db2.gz NTPLTZDEIFYITQ-LLVKDONJSA-N 1 2 223.320 1.741 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886959903 592402067 /nfs/dbraw/zinc/40/20/67/592402067.db2.gz YOCCXFCUODXUET-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO C=C(CC)C[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887075513 592436049 /nfs/dbraw/zinc/43/60/49/592436049.db2.gz HJRBMERESSSNCC-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO C=C(CC)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887075513 592436051 /nfs/dbraw/zinc/43/60/51/592436051.db2.gz HJRBMERESSSNCC-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO CO[C@H]1C[C@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000887268489 592473491 /nfs/dbraw/zinc/47/34/91/592473491.db2.gz NEBRJHDQISJABP-QXHWTGCKSA-N 1 2 235.283 1.942 20 30 BDEDLO COC(=O)[C@@H]1C[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000887271957 592474148 /nfs/dbraw/zinc/47/41/48/592474148.db2.gz CUMQZPKIRNVXJZ-PRRORJFTSA-N 1 2 233.267 1.620 20 30 BDEDLO Cc1cccc(CCn2cc(CCC#N)nn2)[nH+]1 ZINC000887428318 592504936 /nfs/dbraw/zinc/50/49/36/592504936.db2.gz YZSJHJGZAUPMFJ-UHFFFAOYSA-N 1 2 241.298 1.680 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000887933910 592561062 /nfs/dbraw/zinc/56/10/62/592561062.db2.gz KMYNZGNOETZPCW-GFCCVEGCSA-N 1 2 243.310 1.689 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114525 592685359 /nfs/dbraw/zinc/68/53/59/592685359.db2.gz OBEHUFYDLUKEOQ-JTQLQIEISA-N 1 2 237.303 1.018 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)C ZINC001322115993 988127079 /nfs/dbraw/zinc/12/70/79/988127079.db2.gz DNEVBRQZUBXXNL-SNVBAGLBSA-N 1 2 232.755 1.831 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCC2)C1 ZINC000949551694 631374238 /nfs/dbraw/zinc/37/42/38/631374238.db2.gz NBASSSROPAKSER-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1cnn(CC)n1 ZINC000934458669 631845244 /nfs/dbraw/zinc/84/52/44/631845244.db2.gz BSBKPSIXWDASKD-NSHDSACASA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1cnn(CC)n1 ZINC000934458669 631845248 /nfs/dbraw/zinc/84/52/48/631845248.db2.gz BSBKPSIXWDASKD-NSHDSACASA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1oncc1C(=O)OC ZINC000934461787 631858719 /nfs/dbraw/zinc/85/87/19/631858719.db2.gz ABOKYXLEYOQEHI-VIFPVBQESA-N 1 2 236.271 1.612 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1oncc1C(=O)OC ZINC000934461787 631858722 /nfs/dbraw/zinc/85/87/22/631858722.db2.gz ABOKYXLEYOQEHI-VIFPVBQESA-N 1 2 236.271 1.612 20 30 BDEDLO C=C(Br)C[N@@H+](C)CCOC ZINC000052442149 632409264 /nfs/dbraw/zinc/40/92/64/632409264.db2.gz FLNXJBPTDMHYEB-UHFFFAOYSA-N 1 2 208.099 1.473 20 30 BDEDLO C=C(Br)C[N@H+](C)CCOC ZINC000052442149 632409271 /nfs/dbraw/zinc/40/92/71/632409271.db2.gz FLNXJBPTDMHYEB-UHFFFAOYSA-N 1 2 208.099 1.473 20 30 BDEDLO C#C[C@H](CC)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000229900360 633000090 /nfs/dbraw/zinc/00/00/90/633000090.db2.gz VCIMSJXIVGOBES-GFCCVEGCSA-N 1 2 240.310 1.769 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](CC)COC)C(=O)OCC ZINC000895598816 636163035 /nfs/dbraw/zinc/16/30/35/636163035.db2.gz VAWJPXIFIXABNF-RYUDHWBXSA-N 1 2 243.347 1.899 20 30 BDEDLO C#CC[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191621107 634218665 /nfs/dbraw/zinc/21/86/65/634218665.db2.gz UXOJGNIDGIFLSO-LBPRGKRZSA-N 1 2 232.302 1.969 20 30 BDEDLO C#CC[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191621107 634218671 /nfs/dbraw/zinc/21/86/71/634218671.db2.gz UXOJGNIDGIFLSO-LBPRGKRZSA-N 1 2 232.302 1.969 20 30 BDEDLO CNc1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000258796142 635202273 /nfs/dbraw/zinc/20/22/73/635202273.db2.gz SOZSFMFAXRWQSO-UHFFFAOYSA-N 1 2 231.303 1.648 20 30 BDEDLO CNc1cc(N2CCC(CC#N)CC2)[nH+]cn1 ZINC000258796142 635202278 /nfs/dbraw/zinc/20/22/78/635202278.db2.gz SOZSFMFAXRWQSO-UHFFFAOYSA-N 1 2 231.303 1.648 20 30 BDEDLO C[C@H](N[C@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000902760701 637334547 /nfs/dbraw/zinc/33/45/47/637334547.db2.gz KEDZTXRCLJXWHG-AAEUAGOBSA-N 1 2 244.342 1.698 20 30 BDEDLO C[C@H](N[C@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000902760701 637334551 /nfs/dbraw/zinc/33/45/51/637334551.db2.gz KEDZTXRCLJXWHG-AAEUAGOBSA-N 1 2 244.342 1.698 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(CO)on1 ZINC000905077205 637609386 /nfs/dbraw/zinc/60/93/86/637609386.db2.gz RZEAJSUKWDOPHM-ARJAWSKDSA-N 1 2 247.254 1.279 20 30 BDEDLO C#CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905282720 637736846 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C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030192276 640671163 /nfs/dbraw/zinc/67/11/63/640671163.db2.gz WVMMKXBJRGOPLK-JTQLQIEISA-N 1 2 222.332 1.409 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001030192278 640671728 /nfs/dbraw/zinc/67/17/28/640671728.db2.gz WVMMKXBJRGOPLK-SNVBAGLBSA-N 1 2 222.332 1.409 20 30 BDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000933218845 640681478 /nfs/dbraw/zinc/68/14/78/640681478.db2.gz NAMVPXBRDYGARP-GFCCVEGCSA-N 1 2 247.298 1.252 20 30 BDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000933218845 640681479 /nfs/dbraw/zinc/68/14/79/640681479.db2.gz NAMVPXBRDYGARP-GFCCVEGCSA-N 1 2 247.298 1.252 20 30 BDEDLO C#CCC1([NH2+]Cc2noc(COC)n2)CCC1 ZINC000933298861 640700571 /nfs/dbraw/zinc/70/05/71/640700571.db2.gz KUAFNUFRGSDPGV-UHFFFAOYSA-N 1 2 235.287 1.252 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC001030359682 640788582 /nfs/dbraw/zinc/78/85/82/640788582.db2.gz OMQHJIAVMHNOFY-STQMWFEESA-N 1 2 248.370 1.636 20 30 BDEDLO C[C@H](C#N)C[NH2+][C@@H]1CCc2cccnc21 ZINC000226819192 640794226 /nfs/dbraw/zinc/79/42/26/640794226.db2.gz CINIUADJLWWLHE-MWLCHTKSSA-N 1 2 201.273 1.818 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2C=CC=CC=C2)C1 ZINC001030381347 640809517 /nfs/dbraw/zinc/80/95/17/640809517.db2.gz OZLLCMSZLSOJTK-UHFFFAOYSA-N 1 2 242.322 1.109 20 30 BDEDLO CSCCO[NH+]=C(N)c1ccccc1 ZINC000171013365 640949454 /nfs/dbraw/zinc/94/94/54/640949454.db2.gz QOVGMLVJAYGDHX-UHFFFAOYSA-N 1 2 210.302 1.687 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934257181 641115708 /nfs/dbraw/zinc/11/57/08/641115708.db2.gz YRJQFYHZQCOOQN-NWDGAFQWSA-N 1 2 244.766 1.270 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934257181 641115710 /nfs/dbraw/zinc/11/57/10/641115710.db2.gz YRJQFYHZQCOOQN-NWDGAFQWSA-N 1 2 244.766 1.270 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(COC)no1 ZINC000934460912 641154467 /nfs/dbraw/zinc/15/44/67/641154467.db2.gz KYUCDSRKJNYGCL-UWVGGRQHSA-N 1 2 237.303 1.927 20 30 BDEDLO 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CC#CC[N@H+](C)[C@@H](C)c1snnc1C ZINC000930589852 712712949 /nfs/dbraw/zinc/71/29/49/712712949.db2.gz OMGQYQOXYMSDOQ-VIFPVBQESA-N 1 2 209.318 1.863 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C)c1snnc1C ZINC000930589852 712712950 /nfs/dbraw/zinc/71/29/50/712712950.db2.gz OMGQYQOXYMSDOQ-VIFPVBQESA-N 1 2 209.318 1.863 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1 ZINC001038017612 712898255 /nfs/dbraw/zinc/89/82/55/712898255.db2.gz QZQIRAIBLOOMJO-AWEZNQCLSA-N 1 2 242.322 1.514 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1 ZINC001038017612 712898256 /nfs/dbraw/zinc/89/82/56/712898256.db2.gz QZQIRAIBLOOMJO-AWEZNQCLSA-N 1 2 242.322 1.514 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1F ZINC001038020757 712898652 /nfs/dbraw/zinc/89/86/52/712898652.db2.gz IAIPEEIZMOWGPJ-LLVKDONJSA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1F ZINC001038020757 712898653 /nfs/dbraw/zinc/89/86/53/712898653.db2.gz IAIPEEIZMOWGPJ-LLVKDONJSA-N 1 2 246.285 1.263 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1CC ZINC001038766684 710706371 /nfs/dbraw/zinc/70/63/71/710706371.db2.gz HIVCZIDWEBSTIV-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1CC ZINC001038766684 710706373 /nfs/dbraw/zinc/70/63/73/710706373.db2.gz HIVCZIDWEBSTIV-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001038941816 710714038 /nfs/dbraw/zinc/71/40/38/710714038.db2.gz NJFTWHDVJAFHQM-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001038941816 710714044 /nfs/dbraw/zinc/71/40/44/710714044.db2.gz NJFTWHDVJAFHQM-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc2n1CCOC2 ZINC000722836181 710722379 /nfs/dbraw/zinc/72/23/79/710722379.db2.gz TUIYUKZBVJKJBB-JTQLQIEISA-N 1 2 234.303 1.195 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C)CC2)C1 ZINC001042760846 710797900 /nfs/dbraw/zinc/79/79/00/710797900.db2.gz NTJKPJMUTOPXJY-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001043015697 710802344 /nfs/dbraw/zinc/80/23/44/710802344.db2.gz MCXSFFBZNCXESK-UHFFFAOYSA-N 1 2 246.354 1.343 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2C[C@H]2C)C1 ZINC001043737582 710812969 /nfs/dbraw/zinc/81/29/69/710812969.db2.gz LAIQPSRIOOUMAO-GHMZBOCLSA-N 1 2 222.332 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001044112809 710819661 /nfs/dbraw/zinc/81/96/61/710819661.db2.gz TYXCXOOELXGIJZ-OLZOCXBDSA-N 1 2 236.359 1.607 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001038192343 710678641 /nfs/dbraw/zinc/67/86/41/710678641.db2.gz XFXGORAQHBZMAV-GFCCVEGCSA-N 1 2 232.283 1.025 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001038192343 710678644 /nfs/dbraw/zinc/67/86/44/710678644.db2.gz XFXGORAQHBZMAV-GFCCVEGCSA-N 1 2 232.283 1.025 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)CC(C)(C)O1 ZINC000721540275 711619844 /nfs/dbraw/zinc/61/98/44/711619844.db2.gz NZWZAVBINUZGEI-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CC(C)(C)O1 ZINC000721540275 711619847 /nfs/dbraw/zinc/61/98/47/711619847.db2.gz NZWZAVBINUZGEI-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1F ZINC001038844704 711751147 /nfs/dbraw/zinc/75/11/47/711751147.db2.gz VCGWOIOBYQRION-JTQLQIEISA-N 1 2 249.289 1.211 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1F ZINC001038844704 711751148 /nfs/dbraw/zinc/75/11/48/711751148.db2.gz VCGWOIOBYQRION-JTQLQIEISA-N 1 2 249.289 1.211 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001038422947 711771259 /nfs/dbraw/zinc/77/12/59/711771259.db2.gz UZIXEVMOPULVHK-LLVKDONJSA-N 1 2 246.310 1.279 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001038422947 711771261 /nfs/dbraw/zinc/77/12/61/711771261.db2.gz UZIXEVMOPULVHK-LLVKDONJSA-N 1 2 246.310 1.279 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000897166650 711784610 /nfs/dbraw/zinc/78/46/10/711784610.db2.gz BHGHZJCXGJSRQW-UHFFFAOYSA-N 1 2 222.313 1.302 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000897166650 711784611 /nfs/dbraw/zinc/78/46/11/711784611.db2.gz BHGHZJCXGJSRQW-UHFFFAOYSA-N 1 2 222.313 1.302 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001032568570 711926315 /nfs/dbraw/zinc/92/63/15/711926315.db2.gz FRENRTYZKSHBRY-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001032568570 711926318 /nfs/dbraw/zinc/92/63/18/711926318.db2.gz FRENRTYZKSHBRY-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCC2 ZINC001032655694 711931730 /nfs/dbraw/zinc/93/17/30/711931730.db2.gz VNYRSINZHCTKSP-RWMBFGLXSA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCC2 ZINC001032655694 711931731 /nfs/dbraw/zinc/93/17/31/711931731.db2.gz VNYRSINZHCTKSP-RWMBFGLXSA-N 1 2 244.338 1.095 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001043072787 711933636 /nfs/dbraw/zinc/93/36/36/711933636.db2.gz HULWYVWPCZVNAU-CYBMUJFWSA-N 1 2 248.370 1.895 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032854537 711964000 /nfs/dbraw/zinc/96/40/00/711964000.db2.gz TZMOMWTVOLIJMN-LLVKDONJSA-N 1 2 242.750 1.682 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032854537 711964003 /nfs/dbraw/zinc/96/40/03/711964003.db2.gz TZMOMWTVOLIJMN-LLVKDONJSA-N 1 2 242.750 1.682 20 30 BDEDLO C#CC[C@H](COC)[NH2+]Cc1n[nH]c2ccccc21 ZINC000716830932 712577101 /nfs/dbraw/zinc/57/71/01/712577101.db2.gz ZGRNSYXIHVJBID-LLVKDONJSA-N 1 2 243.310 1.691 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1coc(C2CC2)n1 ZINC000379913424 712624703 /nfs/dbraw/zinc/62/47/03/712624703.db2.gz ADFNVXFDCZDRTQ-SECBINFHSA-N 1 2 208.261 1.189 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC=C[C@H]2CO)c(F)c1 ZINC000880484244 712633394 /nfs/dbraw/zinc/63/33/94/712633394.db2.gz NJBFPCPUKMOGFR-LBPRGKRZSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC=C[C@H]2CO)c(F)c1 ZINC000880484244 712633396 /nfs/dbraw/zinc/63/33/96/712633396.db2.gz NJBFPCPUKMOGFR-LBPRGKRZSA-N 1 2 232.258 1.430 20 30 BDEDLO C=CCC1(O)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000717451552 712658751 /nfs/dbraw/zinc/65/87/51/712658751.db2.gz PIFSZKDLXUYYJU-UHFFFAOYSA-N 1 2 233.315 1.692 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000717473724 712659587 /nfs/dbraw/zinc/65/95/87/712659587.db2.gz VVYNRLDNBBXMDU-UHFFFAOYSA-N 1 2 247.342 1.688 20 30 BDEDLO CC(C)C(=O)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932154529 712716143 /nfs/dbraw/zinc/71/61/43/712716143.db2.gz KDAZVORKQJRFMK-NSHDSACASA-N 1 2 208.305 1.837 20 30 BDEDLO CC(C)C(=O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932154529 712716144 /nfs/dbraw/zinc/71/61/44/712716144.db2.gz KDAZVORKQJRFMK-NSHDSACASA-N 1 2 208.305 1.837 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720864815 712871551 /nfs/dbraw/zinc/87/15/51/712871551.db2.gz LYYQRPDXIFPWKX-GRYCIOLGSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720864815 712871552 /nfs/dbraw/zinc/87/15/52/712871552.db2.gz LYYQRPDXIFPWKX-GRYCIOLGSA-N 1 2 208.305 1.789 20 30 BDEDLO CC1(C#N)C[NH+](CC2(C)CCOCC2)C1 ZINC001207963776 956897935 /nfs/dbraw/zinc/89/79/35/956897935.db2.gz NYDPPKSKDWHELK-UHFFFAOYSA-N 1 2 208.305 1.649 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001266334178 957271862 /nfs/dbraw/zinc/27/18/62/957271862.db2.gz ZUJIHXYRYHUZHF-JTQLQIEISA-N 1 2 228.311 1.359 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001266334178 957271875 /nfs/dbraw/zinc/27/18/75/957271875.db2.gz ZUJIHXYRYHUZHF-JTQLQIEISA-N 1 2 228.311 1.359 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(OC)cc1C#N ZINC001137704401 959896206 /nfs/dbraw/zinc/89/62/06/959896206.db2.gz DQESKSHBOAOWFP-UHFFFAOYSA-N 1 2 214.268 1.632 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(OC)cc1C#N ZINC001137704401 959896213 /nfs/dbraw/zinc/89/62/13/959896213.db2.gz DQESKSHBOAOWFP-UHFFFAOYSA-N 1 2 214.268 1.632 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(SC)nc1NC ZINC001140840104 960624898 /nfs/dbraw/zinc/62/48/98/960624898.db2.gz GTZIDPWVEGYIJP-UHFFFAOYSA-N 1 2 236.344 1.305 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(SC)nc1NC ZINC001140840104 960624909 /nfs/dbraw/zinc/62/49/09/960624909.db2.gz GTZIDPWVEGYIJP-UHFFFAOYSA-N 1 2 236.344 1.305 20 30 BDEDLO Cc1c[nH+]c(NCC2COC2)c(/C=N/O)c1 ZINC001154634525 962819755 /nfs/dbraw/zinc/81/97/55/962819755.db2.gz SYJRXGVZRZWXBY-LHHJGKSTSA-N 1 2 221.260 1.256 20 30 BDEDLO C#CCN(CC#C)c1nc(C)[nH+]c(C)c1C ZINC001157562142 963663505 /nfs/dbraw/zinc/66/35/05/963663505.db2.gz BNWKXUNGJBOYOW-UHFFFAOYSA-N 1 2 213.284 1.475 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cncn1CCC ZINC001207716330 968867877 /nfs/dbraw/zinc/86/78/77/968867877.db2.gz WMWGXZLLTWUFPR-UHFFFAOYSA-N 1 2 205.305 1.748 20 30 BDEDLO CC#CC[N@H+](C)Cc1cncn1CCC ZINC001207716330 968867881 /nfs/dbraw/zinc/86/78/81/968867881.db2.gz WMWGXZLLTWUFPR-UHFFFAOYSA-N 1 2 205.305 1.748 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2ccoc2C)C1 ZINC001207798267 968890171 /nfs/dbraw/zinc/89/01/71/968890171.db2.gz GNGIWKSTCOZQRX-UHFFFAOYSA-N 1 2 207.273 1.711 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC001253455318 969182214 /nfs/dbraw/zinc/18/22/14/969182214.db2.gz FULMTZBTSGGTEB-GHMZBOCLSA-N 1 2 226.320 1.008 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC001253455318 969182218 /nfs/dbraw/zinc/18/22/18/969182218.db2.gz FULMTZBTSGGTEB-GHMZBOCLSA-N 1 2 226.320 1.008 20 30 BDEDLO C=C[C@@H](Oc1c(C)cc[nH+]c1C)C(=O)OC ZINC001227265585 975342617 /nfs/dbraw/zinc/34/26/17/975342617.db2.gz UMVFUHSQHTVEKF-SNVBAGLBSA-N 1 2 221.256 1.805 20 30 BDEDLO CC(C)(C)[NH+]1CC(Oc2nnccc2C#N)C1 ZINC001229604661 976904440 /nfs/dbraw/zinc/90/44/40/976904440.db2.gz ULOLLDMNOMBVCM-UHFFFAOYSA-N 1 2 232.287 1.210 20 30 BDEDLO Cc1nn(C)cc1C[NH2+]C[C@H](C#N)CCC#N ZINC001336815186 977980819 /nfs/dbraw/zinc/98/08/19/977980819.db2.gz YTKVBMBLHQVEPJ-NSHDSACASA-N 1 2 231.303 1.262 20 30 BDEDLO C[N@H+](CCC#N)Cc1cccc2c1CCO2 ZINC001233273724 978520103 /nfs/dbraw/zinc/52/01/03/978520103.db2.gz PLBGQYMIOAAKAK-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cccc2c1CCO2 ZINC001233273724 978520111 /nfs/dbraw/zinc/52/01/11/978520111.db2.gz PLBGQYMIOAAKAK-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO Cc1ccnc(N)c1C[NH2+]CC1(C#N)CC1 ZINC001338263338 978647392 /nfs/dbraw/zinc/64/73/92/978647392.db2.gz IZTKFFJNJBVIBD-UHFFFAOYSA-N 1 2 216.288 1.366 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)CCc1[nH+]ccn1C ZINC001346386654 980823750 /nfs/dbraw/zinc/82/37/50/980823750.db2.gz LTHVSKWGTCBESO-LBPRGKRZSA-N 1 2 234.303 1.161 20 30 BDEDLO CC[C@H](CO)[N@H+](C)Cc1nc(C#N)cs1 ZINC001194734531 981863500 /nfs/dbraw/zinc/86/35/00/981863500.db2.gz VSUARUCILJYOCJ-SECBINFHSA-N 1 2 225.317 1.217 20 30 BDEDLO CC[C@H](CO)[N@@H+](C)Cc1nc(C#N)cs1 ZINC001194734531 981863503 /nfs/dbraw/zinc/86/35/03/981863503.db2.gz VSUARUCILJYOCJ-SECBINFHSA-N 1 2 225.317 1.217 20 30 BDEDLO CC[C@@H](CC(C)C)N1CC[NH2+]C[C@H]1C#N ZINC001172396772 974754459 /nfs/dbraw/zinc/75/44/59/974754459.db2.gz NTZLRQWGIYHAJG-NWDGAFQWSA-N 1 2 209.337 1.608 20 30 BDEDLO COC(=O)C1([NH2+][C@H](C)CCCC#N)CC1 ZINC001172479644 974779835 /nfs/dbraw/zinc/77/98/35/974779835.db2.gz IYGGJXZMRMBXSU-SECBINFHSA-N 1 2 210.277 1.364 20 30 BDEDLO C#CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C(=O)OC ZINC001257078696 971093156 /nfs/dbraw/zinc/09/31/56/971093156.db2.gz QPRWFWYMXZJVTD-FOGDFJRCSA-N 1 2 239.315 1.097 20 30 BDEDLO CCCCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001257513853 971433843 /nfs/dbraw/zinc/43/38/43/971433843.db2.gz WWFGLFBWQCWHJI-NEPJUHHUSA-N 1 2 209.337 1.753 20 30 BDEDLO CCCCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001257513856 971432670 /nfs/dbraw/zinc/43/26/70/971432670.db2.gz WWFGLFBWQCWHJI-VXGBXAGGSA-N 1 2 209.337 1.753 20 30 BDEDLO COC(=O)C1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001257853470 971498134 /nfs/dbraw/zinc/49/81/34/971498134.db2.gz INGPVBXXEBBXRS-UHFFFAOYSA-N 1 2 224.304 1.610 20 30 BDEDLO CCCCCCC[C@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001258042766 971566491 /nfs/dbraw/zinc/56/64/91/971566491.db2.gz YGPBHQDTRHPWQV-NWDGAFQWSA-N 1 2 245.363 1.859 20 30 BDEDLO Cc1cc[nH+]c(NCC(C)(C)S)c1C(N)=O ZINC001159266393 971795576 /nfs/dbraw/zinc/79/55/76/971795576.db2.gz FYLQFPLLYUXIMI-UHFFFAOYSA-N 1 2 239.344 1.609 20 30 BDEDLO C=C[C@@H]1C[C@@]1(Nc1c[nH+]cn1C)C(=O)OCC ZINC001170918459 972090368 /nfs/dbraw/zinc/09/03/68/972090368.db2.gz OTJBWZAQBVJGEE-SKDRFNHKSA-N 1 2 235.287 1.340 20 30 BDEDLO SCCCNc1ccc2c([nH+]1)CCOC2 ZINC001171001347 972221420 /nfs/dbraw/zinc/22/14/20/972221420.db2.gz ZTWXEKQGJUWGJX-UHFFFAOYSA-N 1 2 224.329 1.886 20 30 BDEDLO COCCOc1cc(NCCCS)cc[nH+]1 ZINC001171003047 972228476 /nfs/dbraw/zinc/22/84/76/972228476.db2.gz GUAQQVAYDFJJNF-UHFFFAOYSA-N 1 2 242.344 1.839 20 30 BDEDLO COc1cc(Nc2cncc(C#N)n2)cc(C)[nH+]1 ZINC001210773791 957870782 /nfs/dbraw/zinc/87/07/82/957870782.db2.gz FNNUYCWIIIUWIC-UHFFFAOYSA-N 1 2 241.254 1.804 20 30 BDEDLO Cc1cc(C#N)nc(NCc2cc[nH+]c(N)c2)n1 ZINC001167615129 959076725 /nfs/dbraw/zinc/07/67/25/959076725.db2.gz YVGDCMXEXHRKPK-UHFFFAOYSA-N 1 2 240.270 1.246 20 30 BDEDLO N#CCc1ncc(NCc2cc[nH+]c(N)c2)cn1 ZINC001167617463 959093745 /nfs/dbraw/zinc/09/37/45/959093745.db2.gz NSWJLVDBIKULTN-UHFFFAOYSA-N 1 2 240.270 1.132 20 30 BDEDLO N#CC1CCN(c2cc[nH+]cc2F)CC1 ZINC000693948776 959612978 /nfs/dbraw/zinc/61/29/78/959612978.db2.gz XOJAJJCKRDNCQK-UHFFFAOYSA-N 1 2 205.236 1.961 20 30 BDEDLO O=C(CCS)Nc1cccc2[nH+]ccn21 ZINC001143979903 972454314 /nfs/dbraw/zinc/45/43/14/972454314.db2.gz RPMROSBAJAEMTH-UHFFFAOYSA-N 1 2 221.285 1.593 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000694967665 960063194 /nfs/dbraw/zinc/06/31/94/960063194.db2.gz UUQIFQTUMSVXOC-CQSZACIVSA-N 1 2 246.310 1.141 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000694967665 960063202 /nfs/dbraw/zinc/06/32/02/960063202.db2.gz UUQIFQTUMSVXOC-CQSZACIVSA-N 1 2 246.310 1.141 20 30 BDEDLO C=C(CC)C[NH2+][C@@H](C(=O)OCC)C1CC1 ZINC001327224000 972507627 /nfs/dbraw/zinc/50/76/27/972507627.db2.gz OKCVNYZMWYXWSW-LLVKDONJSA-N 1 2 211.305 1.884 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H](C)CCC)C1 ZINC001481548766 961178407 /nfs/dbraw/zinc/17/84/07/961178407.db2.gz IZGBMKKHFOTFJI-LLVKDONJSA-N 1 2 224.348 1.799 20 30 BDEDLO C=CCOCC[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001481596776 961288404 /nfs/dbraw/zinc/28/84/04/961288404.db2.gz BSINWNLXFMJQEY-UHFFFAOYSA-N 1 2 240.347 1.036 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167895616 961523516 /nfs/dbraw/zinc/52/35/16/961523516.db2.gz VJCXBGIXTPEWRA-JXUBOQSCSA-N 1 2 229.345 1.236 20 30 BDEDLO C[N@H+](CCC#N)Cc1cccc2[nH]cnc21 ZINC001142672539 961581988 /nfs/dbraw/zinc/58/19/88/961581988.db2.gz CMHYGWGPUQUABE-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cccc2[nH]cnc21 ZINC001142672539 961582007 /nfs/dbraw/zinc/58/20/07/961582007.db2.gz CMHYGWGPUQUABE-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO N#CC1(C(=O)NCc2c[nH+]cn2C2CCC2)CC1 ZINC001143188181 961911440 /nfs/dbraw/zinc/91/14/40/961911440.db2.gz ADCGULGHFOICOX-UHFFFAOYSA-N 1 2 244.298 1.528 20 30 BDEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)c(N)n1 ZINC001143195406 961931350 /nfs/dbraw/zinc/93/13/50/961931350.db2.gz ZYVYLGPDAUGODK-UHFFFAOYSA-N 1 2 216.288 1.318 20 30 BDEDLO Cc1ccc(CN2C[C@@H](F)C[C@H]2C#N)c(N)[nH+]1 ZINC001143207310 961939732 /nfs/dbraw/zinc/93/97/32/961939732.db2.gz VJZRYFHNNXYBDW-QWRGUYRKSA-N 1 2 234.278 1.408 20 30 BDEDLO Cc1ccc(CN(CCC#N)CCC#N)c(N)[nH+]1 ZINC001143208426 961942737 /nfs/dbraw/zinc/94/27/37/961942737.db2.gz XUXBLAHQYUUKDJ-UHFFFAOYSA-N 1 2 243.314 1.602 20 30 BDEDLO Cc1cc(=O)[nH]c(OC2CC[NH+](C)CC2)c1C#N ZINC001226220826 963111603 /nfs/dbraw/zinc/11/16/03/963111603.db2.gz CIFXYCWGMUPABZ-UHFFFAOYSA-N 1 2 247.298 1.440 20 30 BDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc2[nH]ccc21 ZINC001156327485 963310975 /nfs/dbraw/zinc/31/09/75/963310975.db2.gz AZRVRAVKTKCIHX-JTQLQIEISA-N 1 2 241.298 1.173 20 30 BDEDLO C[C@@H](CCO)Nc1cc(CC#N)cc[nH+]1 ZINC001156451561 963353066 /nfs/dbraw/zinc/35/30/66/963353066.db2.gz JLQCEAITOMPGMZ-VIFPVBQESA-N 1 2 205.261 1.330 20 30 BDEDLO N#CCc1cc[nH+]c(NCc2cccnn2)c1 ZINC001156603501 963400340 /nfs/dbraw/zinc/40/03/40/963400340.db2.gz KSGRXCDHQIITFB-UHFFFAOYSA-N 1 2 225.255 1.550 20 30 BDEDLO C#CCCCNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975227 963506200 /nfs/dbraw/zinc/50/62/00/963506200.db2.gz JDDYCQPSYMLJOH-UHFFFAOYSA-N 1 2 242.282 1.288 20 30 BDEDLO N#Cc1cnc2cnc(Cl)cc2c1NC=[NH2+] ZINC001157073431 963522539 /nfs/dbraw/zinc/52/25/39/963522539.db2.gz LELNQGXOMVRWEX-UHFFFAOYSA-N 1 2 231.646 1.596 20 30 BDEDLO CN(C)c1cc(NCC(C)(C)S)[nH+]cn1 ZINC001159263920 964043415 /nfs/dbraw/zinc/04/34/15/964043415.db2.gz IQORIPROWVYCJF-UHFFFAOYSA-N 1 2 226.349 1.663 20 30 BDEDLO CN(C)c1cc(NCC(C)(C)S)nc[nH+]1 ZINC001159263920 964043433 /nfs/dbraw/zinc/04/34/33/964043433.db2.gz IQORIPROWVYCJF-UHFFFAOYSA-N 1 2 226.349 1.663 20 30 BDEDLO SCCCNc1ccc(Cn2cncn2)c[nH+]1 ZINC001159871813 964218215 /nfs/dbraw/zinc/21/82/15/964218215.db2.gz TWKGHVIEXDCFSL-UHFFFAOYSA-N 1 2 249.343 1.453 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(C)s1 ZINC000698291866 965185599 /nfs/dbraw/zinc/18/55/99/965185599.db2.gz RUVURHDNMDRFHW-JTQLQIEISA-N 1 2 209.318 1.738 20 30 BDEDLO C[N@H+](Cc1cccnc1)Cc1cccc(C#N)n1 ZINC001232921580 965430575 /nfs/dbraw/zinc/43/05/75/965430575.db2.gz AEDSXKKSNCVVEP-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1cccnc1)Cc1cccc(C#N)n1 ZINC001232921580 965430592 /nfs/dbraw/zinc/43/05/92/965430592.db2.gz AEDSXKKSNCVVEP-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698995594 965666098 /nfs/dbraw/zinc/66/60/98/965666098.db2.gz DFCIFWBRIPAUPN-MWLCHTKSSA-N 1 2 248.273 1.271 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698995594 965666104 /nfs/dbraw/zinc/66/61/04/965666104.db2.gz DFCIFWBRIPAUPN-MWLCHTKSSA-N 1 2 248.273 1.271 20 30 BDEDLO C=CCC[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC001122463143 965852501 /nfs/dbraw/zinc/85/25/01/965852501.db2.gz XFUIVLNPUKYJCM-UWVGGRQHSA-N 1 2 246.301 1.926 20 30 BDEDLO CCCc1cc(N2CC[NH2+]C[C@H]2C#N)nc(C)n1 ZINC001164652557 965938032 /nfs/dbraw/zinc/93/80/32/965938032.db2.gz RUSRGXQLKXRXOK-GFCCVEGCSA-N 1 2 245.330 1.039 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(C2CCC2)ncn1 ZINC001164662301 965944211 /nfs/dbraw/zinc/94/42/11/965944211.db2.gz VQLPATRGPBFELZ-LLVKDONJSA-N 1 2 243.314 1.046 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@@H]1F ZINC001237459994 966662585 /nfs/dbraw/zinc/66/25/85/966662585.db2.gz YMAWUSWVGRRVIC-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@@H]1F ZINC001237459994 966662588 /nfs/dbraw/zinc/66/25/88/966662588.db2.gz YMAWUSWVGRRVIC-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)OCCCC)C1 ZINC000692327201 966810245 /nfs/dbraw/zinc/81/02/45/966810245.db2.gz DIEZYPWPNXDOMZ-GFCCVEGCSA-N 1 2 223.316 1.675 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)OCCCC)C1 ZINC000692327201 966810251 /nfs/dbraw/zinc/81/02/51/966810251.db2.gz DIEZYPWPNXDOMZ-GFCCVEGCSA-N 1 2 223.316 1.675 20 30 BDEDLO C#Cc1ccc(C[NH2+][C@H](C)c2nnnn2C)cc1 ZINC001203943901 966824922 /nfs/dbraw/zinc/82/49/22/966824922.db2.gz GFBMZKBWGFPHNX-SNVBAGLBSA-N 1 2 241.298 1.042 20 30 BDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107747279 966826191 /nfs/dbraw/zinc/82/61/91/966826191.db2.gz VXXYODACQPLIFO-CYBMUJFWSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107747279 966826199 /nfs/dbraw/zinc/82/61/99/966826199.db2.gz VXXYODACQPLIFO-CYBMUJFWSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(C)C ZINC001032578324 966985051 /nfs/dbraw/zinc/98/50/51/966985051.db2.gz IZKQJCHXEXLPOW-RWMBFGLXSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(C)C ZINC001032578324 966985060 /nfs/dbraw/zinc/98/50/60/966985060.db2.gz IZKQJCHXEXLPOW-RWMBFGLXSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC ZINC001032638871 967088735 /nfs/dbraw/zinc/08/87/35/967088735.db2.gz VFDNPTSSJUASQA-ZOBORPQBSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC ZINC001032638871 967088741 /nfs/dbraw/zinc/08/87/41/967088741.db2.gz VFDNPTSSJUASQA-ZOBORPQBSA-N 1 2 246.354 1.341 20 30 BDEDLO N#Cc1cncc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204959853 967259897 /nfs/dbraw/zinc/25/98/97/967259897.db2.gz XOZCGGYAGWGYOE-UHFFFAOYSA-N 1 2 236.238 1.740 20 30 BDEDLO Cn1cnc(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204965608 967266409 /nfs/dbraw/zinc/26/64/09/967266409.db2.gz DWVNXPKWQOFSEC-UHFFFAOYSA-N 1 2 238.254 1.683 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nn(C)cc1Cl)C(C)C ZINC001205714016 967800399 /nfs/dbraw/zinc/80/03/99/967800399.db2.gz PDMLNGDGVODSGB-SNVBAGLBSA-N 1 2 225.723 1.821 20 30 BDEDLO C#CCOC[C@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001251821477 968360359 /nfs/dbraw/zinc/36/03/59/968360359.db2.gz PWEOFKQQSNHYNC-LLVKDONJSA-N 1 2 247.285 1.118 20 30 BDEDLO C#CCOC[C@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001251821477 968360369 /nfs/dbraw/zinc/36/03/69/968360369.db2.gz PWEOFKQQSNHYNC-LLVKDONJSA-N 1 2 247.285 1.118 20 30 BDEDLO C=CC[C@@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001119403738 968372785 /nfs/dbraw/zinc/37/27/85/968372785.db2.gz VLYGTEQZUVISHP-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001119403738 968372787 /nfs/dbraw/zinc/37/27/87/968372787.db2.gz VLYGTEQZUVISHP-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO N#CC1CC[NH+](Cc2ccncc2F)CC1 ZINC001206781751 968470418 /nfs/dbraw/zinc/47/04/18/968470418.db2.gz GOFWQYUTAZQFNT-UHFFFAOYSA-N 1 2 219.263 1.956 20 30 BDEDLO Cn1cc(C[N@@H+]2CCCC23COC3)cc1C#N ZINC001207106862 968633308 /nfs/dbraw/zinc/63/33/08/968633308.db2.gz VVPLBLFUHQKEKM-UHFFFAOYSA-N 1 2 231.299 1.262 20 30 BDEDLO Cn1cc(C[N@H+]2CCCC23COC3)cc1C#N ZINC001207106862 968633312 /nfs/dbraw/zinc/63/33/12/968633312.db2.gz VVPLBLFUHQKEKM-UHFFFAOYSA-N 1 2 231.299 1.262 20 30 BDEDLO Cn1cc(C[NH+]2CC(C(F)F)C2)cc1C#N ZINC001207107768 968634470 /nfs/dbraw/zinc/63/44/70/968634470.db2.gz BDCQFSBCCLVAOM-UHFFFAOYSA-N 1 2 225.242 1.594 20 30 BDEDLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109622 968635445 /nfs/dbraw/zinc/63/54/45/968635445.db2.gz OLMFWFZRAMOPJO-AWEZNQCLSA-N 1 2 245.326 1.840 20 30 BDEDLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109622 968635446 /nfs/dbraw/zinc/63/54/46/968635446.db2.gz OLMFWFZRAMOPJO-AWEZNQCLSA-N 1 2 245.326 1.840 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001085485648 968761813 /nfs/dbraw/zinc/76/18/13/968761813.db2.gz GFMVZBRLSJPJBH-LBPRGKRZSA-N 1 2 232.283 1.059 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001085485648 968761818 /nfs/dbraw/zinc/76/18/18/968761818.db2.gz GFMVZBRLSJPJBH-LBPRGKRZSA-N 1 2 232.283 1.059 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001252556634 968799956 /nfs/dbraw/zinc/79/99/56/968799956.db2.gz FFGWPIDFBHUJHY-UONOGXRCSA-N 1 2 248.326 1.392 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001252556634 968799964 /nfs/dbraw/zinc/79/99/64/968799964.db2.gz FFGWPIDFBHUJHY-UONOGXRCSA-N 1 2 248.326 1.392 20 30 BDEDLO N#C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001252846900 969034817 /nfs/dbraw/zinc/03/48/17/969034817.db2.gz FCFGFJNMJKOZEW-ZWNOBZJWSA-N 1 2 234.274 1.705 20 30 BDEDLO N#C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001252846900 969034828 /nfs/dbraw/zinc/03/48/28/969034828.db2.gz FCFGFJNMJKOZEW-ZWNOBZJWSA-N 1 2 234.274 1.705 20 30 BDEDLO C#CCN(CC1CC1)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001253563131 969234954 /nfs/dbraw/zinc/23/49/54/969234954.db2.gz LVEFYXHCFUQCQP-LLVKDONJSA-N 1 2 231.299 1.316 20 30 BDEDLO CC(C)(C#N)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967309 969320351 /nfs/dbraw/zinc/32/03/51/969320351.db2.gz OEZVSUKBUXAGTQ-IUCAKERBSA-N 1 2 211.265 1.324 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209419220 969483044 /nfs/dbraw/zinc/48/30/44/969483044.db2.gz VYNWGVJRWGGOEU-KKZNHRDASA-N 1 2 223.341 1.917 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209419220 969483058 /nfs/dbraw/zinc/48/30/58/969483058.db2.gz VYNWGVJRWGGOEU-KKZNHRDASA-N 1 2 223.341 1.917 20 30 BDEDLO Cn1cnc(Nc2ccc3[nH]c[nH+]c3c2)c1C#N ZINC001209848299 969659327 /nfs/dbraw/zinc/65/93/27/969659327.db2.gz LGKXSEUCVONCFM-UHFFFAOYSA-N 1 2 238.254 1.912 20 30 BDEDLO COCCOC1C[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254680188 969783682 /nfs/dbraw/zinc/78/36/82/969783682.db2.gz URNXQZWCLOCCQX-GHMZBOCLSA-N 1 2 224.304 1.026 20 30 BDEDLO C#C[C@@H](CC(C)C)OCC[NH+]1CCOCC1 ZINC001210224775 969838085 /nfs/dbraw/zinc/83/80/85/969838085.db2.gz HWHAQEVTXLVUPO-ZDUSSCGKSA-N 1 2 225.332 1.383 20 30 BDEDLO C#C[C@H](CC(C)C)OCC[NH+]1CCOCC1 ZINC001210224774 969838861 /nfs/dbraw/zinc/83/88/61/969838861.db2.gz HWHAQEVTXLVUPO-CYBMUJFWSA-N 1 2 225.332 1.383 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc(-n2cccc2)c[nH+]1 ZINC001169779319 969852049 /nfs/dbraw/zinc/85/20/49/969852049.db2.gz DMOGPTJTTDSPGE-NSHDSACASA-N 1 2 229.283 1.831 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cncnc1 ZINC001255154391 969959630 /nfs/dbraw/zinc/95/96/30/969959630.db2.gz BZVUAWGJQSUTRU-GXSJLCMTSA-N 1 2 204.277 1.819 20 30 BDEDLO CCOC(=O)C1CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001255264287 970014485 /nfs/dbraw/zinc/01/44/85/970014485.db2.gz HBDWANWNVPXSSD-UNXYVOJBSA-N 1 2 238.331 1.952 20 30 BDEDLO CCOC(=O)C1CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001255264287 970014494 /nfs/dbraw/zinc/01/44/94/970014494.db2.gz HBDWANWNVPXSSD-UNXYVOJBSA-N 1 2 238.331 1.952 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170092601 970237859 /nfs/dbraw/zinc/23/78/59/970237859.db2.gz PVUKMIITXJYKBK-AEJSXWLSSA-N 1 2 231.361 1.626 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170092604 970241965 /nfs/dbraw/zinc/24/19/65/970241965.db2.gz PVUKMIITXJYKBK-UTLUCORTSA-N 1 2 231.361 1.626 20 30 BDEDLO COC[C@@H](C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001255578013 970375676 /nfs/dbraw/zinc/37/56/76/970375676.db2.gz LZPKEKUAGBGKRK-LLVKDONJSA-N 1 2 246.310 1.656 20 30 BDEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CC#CC)CC1 ZINC001113247960 970390246 /nfs/dbraw/zinc/39/02/46/970390246.db2.gz LVJRSTCWUNBMDU-CQSZACIVSA-N 1 2 248.370 1.756 20 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C=CCC1(O)CN(Cc2c[nH+]cn2CC)C1 ZINC000720898728 973393035 /nfs/dbraw/zinc/39/30/35/973393035.db2.gz SRIOCYTXTMEVNF-UHFFFAOYSA-N 1 2 221.304 1.026 20 30 BDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cn1 ZINC001225277304 974343160 /nfs/dbraw/zinc/34/31/60/974343160.db2.gz PBBIUZZCCULMQU-KLLCGCCRSA-N 1 2 246.310 1.381 20 30 BDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cn1 ZINC001225277304 974343166 /nfs/dbraw/zinc/34/31/66/974343166.db2.gz PBBIUZZCCULMQU-KLLCGCCRSA-N 1 2 246.310 1.381 20 30 BDEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172174725 974432650 /nfs/dbraw/zinc/43/26/50/974432650.db2.gz QDDHKMAMYKMJBH-NEPJUHHUSA-N 1 2 249.358 1.812 20 30 BDEDLO N#C[C@H]1CCCC[N@@H+]1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242561 974506592 /nfs/dbraw/zinc/50/65/92/974506592.db2.gz YALYSEKGWGGMRJ-ODWCKFRGSA-N 1 2 218.300 1.850 20 30 BDEDLO N#C[C@H]1CCCC[N@H+]1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242561 974506597 /nfs/dbraw/zinc/50/65/97/974506597.db2.gz YALYSEKGWGGMRJ-ODWCKFRGSA-N 1 2 218.300 1.850 20 30 BDEDLO COCC(C)(C)C=[NH+]n1nnc(C)c1C ZINC001330893819 974528333 /nfs/dbraw/zinc/52/83/33/974528333.db2.gz YSPHFMILZMVUIL-UHFFFAOYSA-N 1 2 210.281 1.401 20 30 BDEDLO Cc1[nH]nc(C=NNCCCn2cc[nH+]c2)c1C ZINC001331334887 974688532 /nfs/dbraw/zinc/68/85/32/974688532.db2.gz JEJHGYOOWADRJF-UHFFFAOYSA-N 1 2 246.318 1.237 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CCOC(C)C ZINC001172438331 974792226 /nfs/dbraw/zinc/79/22/26/974792226.db2.gz POFROTSWKHWWFP-UWVGGRQHSA-N 1 2 249.376 1.251 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172925017 974970812 /nfs/dbraw/zinc/97/08/12/974970812.db2.gz VLWCUYLBLMFBGN-BBBLOLIVSA-N 1 2 247.360 1.005 20 30 BDEDLO CC[NH+]1CC(Oc2cncc(C#N)c2)C1 ZINC001226683497 975022046 /nfs/dbraw/zinc/02/20/46/975022046.db2.gz FRMXWHYVEMDABI-UHFFFAOYSA-N 1 2 203.245 1.036 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cncc(C#N)c1 ZINC001226683672 975022572 /nfs/dbraw/zinc/02/25/72/975022572.db2.gz ICGUIZBRRIEIGS-LLVKDONJSA-N 1 2 247.298 1.053 20 30 BDEDLO Cc1ccc(C#N)cc1OC1C[NH+](C)C1 ZINC001226874569 975129599 /nfs/dbraw/zinc/12/95/99/975129599.db2.gz MXYJUXXXGPCFFB-UHFFFAOYSA-N 1 2 202.257 1.560 20 30 BDEDLO C=CCOC1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001173321368 975267464 /nfs/dbraw/zinc/26/74/64/975267464.db2.gz JQYYHKUSZPDUHZ-ROKHWSDSSA-N 1 2 249.358 1.298 20 30 BDEDLO CC[C@@H](C)[C@@H](C[NH+]1CC(O)(CC#N)C1)OC ZINC001332997520 975364010 /nfs/dbraw/zinc/36/40/10/975364010.db2.gz APYAZDIJGAYQCJ-GHMZBOCLSA-N 1 2 226.320 1.008 20 30 BDEDLO CO[C@@H](C[NH+]1CC(O)(CC#N)C1)C1CCCC1 ZINC001333370405 975717058 /nfs/dbraw/zinc/71/70/58/975717058.db2.gz ITFKFWLQADFMDE-LBPRGKRZSA-N 1 2 238.331 1.152 20 30 BDEDLO C=CCC1([NH2+]Cc2ncn[nH]2)CCCC1 ZINC001333613924 975893144 /nfs/dbraw/zinc/89/31/44/975893144.db2.gz BQEYBVDHAUWKKG-UHFFFAOYSA-N 1 2 206.293 1.783 20 30 BDEDLO C#Cc1cc(Nc2cnc(OC)nc2)cc[nH+]1 ZINC001174031741 976230005 /nfs/dbraw/zinc/23/00/05/976230005.db2.gz DBTFTCPNZDGTFL-UHFFFAOYSA-N 1 2 226.239 1.027 20 30 BDEDLO N#C[C@@H]1CC[C@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC001335401799 977026684 /nfs/dbraw/zinc/02/66/84/977026684.db2.gz PBPQQTGTULSUQB-PWSUYJOCSA-N 1 2 242.286 1.388 20 30 BDEDLO COc1cc(C#N)ccc1C[NH+]1CC2(COC2)C1 ZINC001231617117 977645544 /nfs/dbraw/zinc/64/55/44/977645544.db2.gz WNVZMCMGGNUMQA-UHFFFAOYSA-N 1 2 244.294 1.399 20 30 BDEDLO COc1cc[nH+]c(CN2CCO[C@@](C)(C#N)C2)c1 ZINC001336392910 977657517 /nfs/dbraw/zinc/65/75/17/977657517.db2.gz HRUOMDRWOWDFKS-ZDUSSCGKSA-N 1 2 247.298 1.205 20 30 BDEDLO C=CC[N@@H+](C)Cc1cc(F)cnc1OC ZINC001231747124 977730843 /nfs/dbraw/zinc/73/08/43/977730843.db2.gz NJRFRLQLTLVVGM-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO C=CC[N@H+](C)Cc1cc(F)cnc1OC ZINC001231747124 977730872 /nfs/dbraw/zinc/73/08/72/977730872.db2.gz NJRFRLQLTLVVGM-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccnc1OCCC ZINC001231863622 977770300 /nfs/dbraw/zinc/77/03/00/977770300.db2.gz CQSSNIKTYARCKA-UHFFFAOYSA-N 1 2 218.300 1.935 20 30 BDEDLO C#CC[N@H+](C)Cc1cccnc1OCCC ZINC001231863622 977770317 /nfs/dbraw/zinc/77/03/17/977770317.db2.gz CQSSNIKTYARCKA-UHFFFAOYSA-N 1 2 218.300 1.935 20 30 BDEDLO C#Cc1cc(NC2=CCN(C(C)=O)CC2)cc[nH+]1 ZINC001176025697 977860292 /nfs/dbraw/zinc/86/02/92/977860292.db2.gz CIRJJNJPEPWZHG-UHFFFAOYSA-N 1 2 241.294 1.033 20 30 BDEDLO COc1cc[nH+]cc1Nc1ccnc(C#N)c1 ZINC001176116345 977943618 /nfs/dbraw/zinc/94/36/18/977943618.db2.gz AJKNPIDXQDZJOQ-UHFFFAOYSA-N 1 2 226.239 1.522 20 30 BDEDLO C#Cc1cc(Nc2csc(CO)c2)cc[nH+]1 ZINC001176368320 978052920 /nfs/dbraw/zinc/05/29/20/978052920.db2.gz RVYUVKQSBYQZMA-UHFFFAOYSA-N 1 2 230.292 1.782 20 30 BDEDLO Cc1nnn([NH+]=C[C@@H]2CCCOCC2)c1C ZINC001336981883 978103764 /nfs/dbraw/zinc/10/37/64/978103764.db2.gz MECRSSOSQFFSFR-LLVKDONJSA-N 1 2 222.292 1.546 20 30 BDEDLO C=C(C)CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC001337115407 978171524 /nfs/dbraw/zinc/17/15/24/978171524.db2.gz SZTSUQCAGAPYKJ-UHFFFAOYSA-N 1 2 240.347 1.133 20 30 BDEDLO C[NH+](C)CCC[N@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232673766 978229595 /nfs/dbraw/zinc/22/95/95/978229595.db2.gz MVJGKYLDNNBQJY-UHFFFAOYSA-N 1 2 247.342 1.647 20 30 BDEDLO C[NH+](C)CCC[N@@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232673766 978229609 /nfs/dbraw/zinc/22/96/09/978229609.db2.gz MVJGKYLDNNBQJY-UHFFFAOYSA-N 1 2 247.342 1.647 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@H](O)C2)c1 ZINC001232673439 978229887 /nfs/dbraw/zinc/22/98/87/978229887.db2.gz GMGJTLHNMWEXFF-ZDUSSCGKSA-N 1 2 246.310 1.611 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@H](O)C2)c1 ZINC001232673439 978229904 /nfs/dbraw/zinc/22/99/04/978229904.db2.gz GMGJTLHNMWEXFF-ZDUSSCGKSA-N 1 2 246.310 1.611 20 30 BDEDLO C[C@@H]1C[NH+](Cc2cc(C#N)ccc2O)C[C@@H](C)O1 ZINC001232673960 978230369 /nfs/dbraw/zinc/23/03/69/978230369.db2.gz OSQIGWNQMWPYGE-GHMZBOCLSA-N 1 2 246.310 1.873 20 30 BDEDLO C[C@]1(CO)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673720 978231734 /nfs/dbraw/zinc/23/17/34/978231734.db2.gz LVUNQQLUOXQLAC-AWEZNQCLSA-N 1 2 246.310 1.468 20 30 BDEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673720 978231748 /nfs/dbraw/zinc/23/17/48/978231748.db2.gz LVUNQQLUOXQLAC-AWEZNQCLSA-N 1 2 246.310 1.468 20 30 BDEDLO COC[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674248 978232273 /nfs/dbraw/zinc/23/22/73/978232273.db2.gz UMGQZTVDLWHFJV-LBPRGKRZSA-N 1 2 246.310 1.732 20 30 BDEDLO COC[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674248 978232289 /nfs/dbraw/zinc/23/22/89/978232289.db2.gz UMGQZTVDLWHFJV-LBPRGKRZSA-N 1 2 246.310 1.732 20 30 BDEDLO COC(=O)CC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677600 978241921 /nfs/dbraw/zinc/24/19/21/978241921.db2.gz GQRWSYJCPISFIM-UHFFFAOYSA-N 1 2 248.282 1.259 20 30 BDEDLO COC(=O)CC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677600 978241928 /nfs/dbraw/zinc/24/19/28/978241928.db2.gz GQRWSYJCPISFIM-UHFFFAOYSA-N 1 2 248.282 1.259 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001232679034 978245228 /nfs/dbraw/zinc/24/52/28/978245228.db2.gz YYPBILAIVNRFCX-XYYAHUGASA-N 1 2 246.285 1.911 20 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245.326 1.795 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc(C#N)cc1O ZINC001233383076 978591208 /nfs/dbraw/zinc/59/12/08/978591208.db2.gz UNMCDSWENWGCPI-UHFFFAOYSA-N 1 2 215.256 1.609 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc(C#N)cc1O ZINC001233383076 978591214 /nfs/dbraw/zinc/59/12/14/978591214.db2.gz UNMCDSWENWGCPI-UHFFFAOYSA-N 1 2 215.256 1.609 20 30 BDEDLO N#CC1(C[NH2+][C@H]2CCc3cccnc32)CC1 ZINC001338265561 978647532 /nfs/dbraw/zinc/64/75/32/978647532.db2.gz VGDPLJKJHIXQBR-NSHDSACASA-N 1 2 213.284 1.962 20 30 BDEDLO C[C@@H](C#N)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001179889421 978773143 /nfs/dbraw/zinc/77/31/43/978773143.db2.gz YCACYYDRWRYKRM-QMMMGPOBSA-N 1 2 215.256 1.090 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194159 978791624 /nfs/dbraw/zinc/79/16/24/978791624.db2.gz AYSZRUIDQGGDQW-CYBMUJFWSA-N 1 2 246.354 1.202 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194159 978791629 /nfs/dbraw/zinc/79/16/29/978791629.db2.gz AYSZRUIDQGGDQW-CYBMUJFWSA-N 1 2 246.354 1.202 20 30 BDEDLO C=CCC[C@@H](CCC)[NH2+][C@@H](COC)C(=O)OC ZINC001180954496 978969472 /nfs/dbraw/zinc/96/94/72/978969472.db2.gz XMYYJVRNMGUYET-NEPJUHHUSA-N 1 2 243.347 1.899 20 30 BDEDLO N#Cc1cc[nH]c1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181240811 979016456 /nfs/dbraw/zinc/01/64/56/979016456.db2.gz VAXKDLASZSUHAZ-UHFFFAOYSA-N 1 2 241.254 1.045 20 30 BDEDLO CC1(O)C[NH+](Cc2ccccc2CC#N)C1 ZINC001235510772 979060406 /nfs/dbraw/zinc/06/04/06/979060406.db2.gz CYSHQKMDYQMUOV-UHFFFAOYSA-N 1 2 216.284 1.319 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001602989198 979357202 /nfs/dbraw/zinc/35/72/02/979357202.db2.gz QCDDTSBHGWSUTQ-ZETCQYMHSA-N 1 2 248.315 1.177 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC001342033119 979629199 /nfs/dbraw/zinc/62/91/99/979629199.db2.gz DREBVJXTNTYZOQ-WDEREUQCSA-N 1 2 236.319 1.153 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC001342033119 979629206 /nfs/dbraw/zinc/62/92/06/979629206.db2.gz DREBVJXTNTYZOQ-WDEREUQCSA-N 1 2 236.319 1.153 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001342693687 979867990 /nfs/dbraw/zinc/86/79/90/979867990.db2.gz UEKMVASOOJRKCE-NEPJUHHUSA-N 1 2 231.299 1.458 20 30 BDEDLO CCc1n[nH]cc1C[NH+]1CCN(CCC#N)CC1 ZINC001237651531 980013264 /nfs/dbraw/zinc/01/32/64/980013264.db2.gz UKWSEUQVUCPIOH-UHFFFAOYSA-N 1 2 247.346 1.003 20 30 BDEDLO N#CC1(CNc2nccn3c[nH+]cc23)CCC1 ZINC001343152615 980023981 /nfs/dbraw/zinc/02/39/81/980023981.db2.gz DOZOFPVLLXUTOG-UHFFFAOYSA-N 1 2 227.271 1.835 20 30 BDEDLO C=C1CC(C)(C(=O)N(CC)C2C[NH+](C)C2)C1 ZINC001184787600 980131252 /nfs/dbraw/zinc/13/12/52/980131252.db2.gz TVVLUVRBMPGADY-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001186970437 980461353 /nfs/dbraw/zinc/46/13/53/980461353.db2.gz ZGRZDEFCOVPGNC-PSASIEDQSA-N 1 2 227.267 1.090 20 30 BDEDLO C=CCn1cc(CCn2cc[nH+]c2)cn1 ZINC001250316286 980747654 /nfs/dbraw/zinc/74/76/54/980747654.db2.gz GTZQHLBXVDHWRL-UHFFFAOYSA-N 1 2 202.261 1.508 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)Nc2ccccn2)CC1 ZINC001191322008 981018647 /nfs/dbraw/zinc/01/86/47/981018647.db2.gz AHMQUPWEALNZDR-UHFFFAOYSA-N 1 2 246.314 1.417 20 30 BDEDLO C#CC[C@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC001348225666 981313352 /nfs/dbraw/zinc/31/33/52/981313352.db2.gz UKGNJFLSDUDZLC-JTQLQIEISA-N 1 2 216.288 1.299 20 30 BDEDLO N#Cc1nccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497271 981417769 /nfs/dbraw/zinc/41/77/69/981417769.db2.gz UHIZTMZXWXWCJV-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@](C)(C#N)C1 ZINC001348878961 981467822 /nfs/dbraw/zinc/46/78/22/981467822.db2.gz GZQMCGLRBYGSOE-CYBMUJFWSA-N 1 2 246.314 1.115 20 30 BDEDLO C=CCOC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001194349225 981713659 /nfs/dbraw/zinc/71/36/59/981713659.db2.gz DQSMENUVVIZXEZ-UHFFFAOYSA-N 1 2 249.245 1.886 20 30 BDEDLO C=CCCONC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001586069250 981965487 /nfs/dbraw/zinc/96/54/87/981965487.db2.gz DNMKPVDECXUQQQ-SNVBAGLBSA-N 1 2 230.283 1.044 20 30 BDEDLO C=CCCONC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001586069250 981965497 /nfs/dbraw/zinc/96/54/97/981965497.db2.gz DNMKPVDECXUQQQ-SNVBAGLBSA-N 1 2 230.283 1.044 20 30 BDEDLO C[C@H](C(=O)N1CC[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC001351099939 982202948 /nfs/dbraw/zinc/20/29/48/982202948.db2.gz UNDCJUVCFZEEKW-ZYHUDNBSSA-N 1 2 232.287 1.206 20 30 BDEDLO C=C(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001352443643 982525101 /nfs/dbraw/zinc/52/51/01/982525101.db2.gz OEPFNDJBSMXETO-VIFPVBQESA-N 1 2 205.261 1.410 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785123 982591731 /nfs/dbraw/zinc/59/17/31/982591731.db2.gz AWAWUCIQOLOZSQ-WCQYABFASA-N 1 2 249.358 1.731 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785123 982591738 /nfs/dbraw/zinc/59/17/38/982591738.db2.gz AWAWUCIQOLOZSQ-WCQYABFASA-N 1 2 249.358 1.731 20 30 BDEDLO Cn1cnc(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001201279619 983159175 /nfs/dbraw/zinc/15/91/75/983159175.db2.gz XXBJCNAVGUYVJA-UHFFFAOYSA-N 1 2 214.232 1.013 20 30 BDEDLO N#Cc1cnc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201271820 983172817 /nfs/dbraw/zinc/17/28/17/983172817.db2.gz DWRWUOSORAABLF-UHFFFAOYSA-N 1 2 212.216 1.069 20 30 BDEDLO Cc1cnc(C#N)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242077979 983325769 /nfs/dbraw/zinc/32/57/69/983325769.db2.gz NLFOIMRLQHUBIS-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO Cc1c(N)cc[nH+]c1-c1cccnc1C#N ZINC001242309409 983534152 /nfs/dbraw/zinc/53/41/52/983534152.db2.gz WWIKNHSCMBCLHU-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCn2cncc21 ZINC001357211155 983677016 /nfs/dbraw/zinc/67/70/16/983677016.db2.gz SVMQDJHVOATXKB-GHMZBOCLSA-N 1 2 229.287 1.361 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001588663364 983794714 /nfs/dbraw/zinc/79/47/14/983794714.db2.gz LSHOKKKAUPJMBI-MNOVXSKESA-N 1 2 226.320 1.088 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001588663364 983794716 /nfs/dbraw/zinc/79/47/16/983794716.db2.gz LSHOKKKAUPJMBI-MNOVXSKESA-N 1 2 226.320 1.088 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001545727550 984131672 /nfs/dbraw/zinc/13/16/72/984131672.db2.gz RPDLGGYMKAHPHY-SECBINFHSA-N 1 2 215.256 1.639 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1O ZINC000717571022 984212439 /nfs/dbraw/zinc/21/24/39/984212439.db2.gz OXYXLTYVYUBPOX-MRVPVSSYSA-N 1 2 229.226 1.307 20 30 BDEDLO C=C[C@@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001253565407 984222070 /nfs/dbraw/zinc/22/20/70/984222070.db2.gz OEZZGOORUPCIPK-CYBMUJFWSA-N 1 2 229.283 1.831 20 30 BDEDLO Cn1c[nH+]cc1-c1cc(C#N)cc(C#N)c1 ZINC001243067582 984482695 /nfs/dbraw/zinc/48/26/95/984482695.db2.gz LSOBUJQLYMWTTK-UHFFFAOYSA-N 1 2 208.224 1.830 20 30 BDEDLO Cc1cc(NCc2ccc[nH+]c2N)ncc1C#N ZINC001458380828 985303349 /nfs/dbraw/zinc/30/33/49/985303349.db2.gz JRPXSBDMYGQVDQ-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC000949708659 985458992 /nfs/dbraw/zinc/45/89/92/985458992.db2.gz DMMYFMXRMNZXON-CQSZACIVSA-N 1 2 234.343 1.673 20 30 BDEDLO CCc1nc(C#N)cc(C2=C[NH2+]CCC2)n1 ZINC001243950035 985645576 /nfs/dbraw/zinc/64/55/76/985645576.db2.gz UKBWPCIKJMBJBH-UHFFFAOYSA-N 1 2 214.272 1.635 20 30 BDEDLO COc1ccc(CN2CC[NH2+]C[C@H]2C#N)cc1C ZINC001579213169 985819702 /nfs/dbraw/zinc/81/97/02/985819702.db2.gz DTSWHWOWXPMHQH-CYBMUJFWSA-N 1 2 245.326 1.301 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001258718359 986045486 /nfs/dbraw/zinc/04/54/86/986045486.db2.gz METHUSSBUWZWET-MXWKQRLJSA-N 1 2 229.320 1.243 20 30 BDEDLO CCn1nnc(C)c1C[NH2+]CC1(C#N)CCC1 ZINC001461810844 986168714 /nfs/dbraw/zinc/16/87/14/986168714.db2.gz JVZGOYZJMBGCGF-UHFFFAOYSA-N 1 2 233.319 1.390 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccns2)CCOCC1 ZINC001461816056 986182823 /nfs/dbraw/zinc/18/28/23/986182823.db2.gz JUJWJIWPXWQZKY-UHFFFAOYSA-N 1 2 237.328 1.553 20 30 BDEDLO C=C[C@@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001253590272 986192893 /nfs/dbraw/zinc/19/28/93/986192893.db2.gz UFGYVZAFRVTMPQ-CYBMUJFWSA-N 1 2 229.283 1.831 20 30 BDEDLO C=C[C@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001253607503 986267245 /nfs/dbraw/zinc/26/72/45/986267245.db2.gz YKDYYDDOYNSZSZ-NSHDSACASA-N 1 2 249.310 1.057 20 30 BDEDLO C[C@@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001466888746 986830769 /nfs/dbraw/zinc/83/07/69/986830769.db2.gz OGQLWHGWCVKANA-ZETCQYMHSA-N 1 2 214.228 1.205 20 30 BDEDLO COc1cc(C#N)nc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245535250 986909247 /nfs/dbraw/zinc/90/92/47/986909247.db2.gz GZYNDCIIJJIZBW-UHFFFAOYSA-N 1 2 240.266 1.915 20 30 BDEDLO CC(C)c1[nH]cc(CNC(=O)[C@H](C)CC#N)[nH+]1 ZINC001472094466 987176935 /nfs/dbraw/zinc/17/69/35/987176935.db2.gz YLXARZBFAZXMLD-SECBINFHSA-N 1 2 234.303 1.699 20 30 BDEDLO CC(C)c1[nH]c(CNC(=O)[C@H](C)CC#N)c[nH+]1 ZINC001472094466 987176950 /nfs/dbraw/zinc/17/69/50/987176950.db2.gz YLXARZBFAZXMLD-SECBINFHSA-N 1 2 234.303 1.699 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001472932511 987306204 /nfs/dbraw/zinc/30/62/04/987306204.db2.gz VETOXLOTNNCHFT-UHFFFAOYSA-N 1 2 222.332 1.200 20 30 BDEDLO C[C@@H](C(=O)NCCCCC#N)n1cc[nH+]c1 ZINC001115984559 987422876 /nfs/dbraw/zinc/42/28/76/987422876.db2.gz KMDSWDIWKSAWRO-JTQLQIEISA-N 1 2 220.276 1.254 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001116541980 987622979 /nfs/dbraw/zinc/62/29/79/987622979.db2.gz OGXNEHZMFLSVKU-GFCCVEGCSA-N 1 2 233.315 1.562 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001116541980 987622983 /nfs/dbraw/zinc/62/29/83/987622983.db2.gz OGXNEHZMFLSVKU-GFCCVEGCSA-N 1 2 233.315 1.562 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)OC(C)C)C1 ZINC001116541967 987623660 /nfs/dbraw/zinc/62/36/60/987623660.db2.gz NTLARWDWFOOWAG-NSHDSACASA-N 1 2 227.304 1.215 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](CC(=O)OC(C)C)C1 ZINC001116541967 987623670 /nfs/dbraw/zinc/62/36/70/987623670.db2.gz NTLARWDWFOOWAG-NSHDSACASA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001480357203 987967437 /nfs/dbraw/zinc/96/74/37/987967437.db2.gz UKAFWIJZMOMVNL-UHFFFAOYSA-N 1 2 244.285 1.362 20 30 BDEDLO C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC001324810032 988994143 /nfs/dbraw/zinc/99/41/43/988994143.db2.gz OUUFHCJHOGVVIA-CABZTGNLSA-N 1 2 232.287 1.253 20 30 BDEDLO CC#CCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001527716046 990238604 /nfs/dbraw/zinc/23/86/04/990238604.db2.gz OZTFHHYESNNIBL-UHFFFAOYSA-N 1 2 246.314 1.336 20 30 BDEDLO C#CCN(C)C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001527898182 990249648 /nfs/dbraw/zinc/24/96/48/990249648.db2.gz RZPIFABKRMLTHT-UHFFFAOYSA-N 1 2 246.314 1.288 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)CCc1[nH+]ccn1C ZINC001528471106 990292387 /nfs/dbraw/zinc/29/23/87/990292387.db2.gz SUAXLQHXPODEHK-ZDUSSCGKSA-N 1 2 233.315 1.271 20 30 BDEDLO C=CCC(F)(F)C(=O)NCCc1cn(C)c[nH+]1 ZINC001535316740 990467362 /nfs/dbraw/zinc/46/73/62/990467362.db2.gz AJJODDHNZWOJMR-UHFFFAOYSA-N 1 2 243.257 1.290 20 30 BDEDLO C#Cc1cccc(NC(=O)[C@H]2CC[N@H+]2CC)c1 ZINC001540336893 990608352 /nfs/dbraw/zinc/60/83/52/990608352.db2.gz BBZIVFCWVFVVFL-CYBMUJFWSA-N 1 2 228.295 1.701 20 30 BDEDLO C#Cc1cccc(NC(=O)[C@H]2CC[N@@H+]2CC)c1 ZINC001540336893 990608354 /nfs/dbraw/zinc/60/83/54/990608354.db2.gz BBZIVFCWVFVVFL-CYBMUJFWSA-N 1 2 228.295 1.701 20 30 BDEDLO C#CCCCCNC(=O)CCc1[nH+]ccn1C ZINC001123756015 990659833 /nfs/dbraw/zinc/65/98/33/990659833.db2.gz LDTABJXCDRGKAR-UHFFFAOYSA-N 1 2 233.315 1.272 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCC#N)C(C)C ZINC001542477883 990665317 /nfs/dbraw/zinc/66/53/17/990665317.db2.gz CAWKSKSVVSOKEY-UHFFFAOYSA-N 1 2 234.303 1.411 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001123856824 990685729 /nfs/dbraw/zinc/68/57/29/990685729.db2.gz HPINTSUZCSNORX-LBPRGKRZSA-N 1 2 247.342 1.920 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001123882578 990691877 /nfs/dbraw/zinc/69/18/77/990691877.db2.gz WKPYKZLMPNEGBB-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001123882578 990691880 /nfs/dbraw/zinc/69/18/80/990691880.db2.gz WKPYKZLMPNEGBB-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO Cc1noc2ncc(C[NH2+][C@@H](C)CC#N)cc12 ZINC001308505227 991013431 /nfs/dbraw/zinc/01/34/31/991013431.db2.gz AWGYIBTUPCUNEM-QMMMGPOBSA-N 1 2 230.271 1.923 20 30 BDEDLO C=CC[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001139490185 991255664 /nfs/dbraw/zinc/25/56/64/991255664.db2.gz QCEWXZLLLPACEC-JTQLQIEISA-N 1 2 245.282 1.230 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)C1(C)COC1 ZINC001139528992 991261740 /nfs/dbraw/zinc/26/17/40/991261740.db2.gz BLXCIIKVNQXMAN-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1(C)COC1 ZINC001139528992 991261746 /nfs/dbraw/zinc/26/17/46/991261746.db2.gz BLXCIIKVNQXMAN-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](O)C1 ZINC001139690431 991320785 /nfs/dbraw/zinc/32/07/85/991320785.db2.gz WOQNIFGAVJOAPF-SNVBAGLBSA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001139690431 991320795 /nfs/dbraw/zinc/32/07/95/991320795.db2.gz WOQNIFGAVJOAPF-SNVBAGLBSA-N 1 2 236.702 1.778 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC001139840202 991399189 /nfs/dbraw/zinc/39/91/89/991399189.db2.gz IGLYDBXGVGLWAJ-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(C)cn2)CC1 ZINC001139840202 991399195 /nfs/dbraw/zinc/39/91/95/991399195.db2.gz IGLYDBXGVGLWAJ-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO C[C@@H](CC1CC1)[NH2+]C1(C#N)CCOCC1 ZINC001258453390 991403668 /nfs/dbraw/zinc/40/36/68/991403668.db2.gz PXPSCKQMUYWMKW-JTQLQIEISA-N 1 2 208.305 1.837 20 30 BDEDLO C#CC1(O)C[NH+](C[C@@H](OC)C2CCCCC2)C1 ZINC001560204126 991416337 /nfs/dbraw/zinc/41/63/37/991416337.db2.gz ZCCTTZGVVLXSAN-CYBMUJFWSA-N 1 2 237.343 1.262 20 30 BDEDLO COC1C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140111253 991521383 /nfs/dbraw/zinc/52/13/83/991521383.db2.gz GLPPVAONTMXBGN-UHFFFAOYSA-N 1 2 241.294 1.870 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC(C)(C)C)C1 ZINC001318003572 991608726 /nfs/dbraw/zinc/60/87/26/991608726.db2.gz XDRUDJJEJIKJEJ-UHFFFAOYSA-N 1 2 222.332 1.246 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318146779 991625899 /nfs/dbraw/zinc/62/58/99/991625899.db2.gz WCVDMXOBYKSXIK-KOLCDFICSA-N 1 2 220.276 1.253 20 30 BDEDLO CO[C@@H](C)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001560876415 991635132 /nfs/dbraw/zinc/63/51/32/991635132.db2.gz JUENTRFQOMVLLD-NSHDSACASA-N 1 2 246.310 1.656 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001258716602 991641774 /nfs/dbraw/zinc/64/17/74/991641774.db2.gz CFQKMZGPAVBPOK-UWVGGRQHSA-N 1 2 231.361 1.792 20 30 BDEDLO Cn1cnc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc21 ZINC001140508856 991659450 /nfs/dbraw/zinc/65/94/50/991659450.db2.gz YOZCQMADIKSJSN-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO Cn1cnc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc21 ZINC001140508856 991659458 /nfs/dbraw/zinc/65/94/58/991659458.db2.gz YOZCQMADIKSJSN-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1c(Cl)ccnc1F ZINC001560942042 991662875 /nfs/dbraw/zinc/66/28/75/991662875.db2.gz FXQJPCGOOUTUPW-SSDOTTSWSA-N 1 2 230.670 1.511 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001565823474 991812195 /nfs/dbraw/zinc/81/21/95/991812195.db2.gz YREHXMTTYSYKKI-CYBMUJFWSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001565823474 991812202 /nfs/dbraw/zinc/81/22/02/991812202.db2.gz YREHXMTTYSYKKI-CYBMUJFWSA-N 1 2 248.370 1.733 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccco2)CC1 ZINC001261275898 992244955 /nfs/dbraw/zinc/24/49/55/992244955.db2.gz KJFIRRMPNGPSTF-UHFFFAOYSA-N 1 2 248.326 1.542 20 30 BDEDLO C#CC[N@@H+](Cc1ncccn1)CC1CC1 ZINC001320836023 992372592 /nfs/dbraw/zinc/37/25/92/992372592.db2.gz GDSBEJNZNHHCJJ-UHFFFAOYSA-N 1 2 201.273 1.322 20 30 BDEDLO C#CC[N@H+](Cc1ncccn1)CC1CC1 ZINC001320836023 992372606 /nfs/dbraw/zinc/37/26/06/992372606.db2.gz GDSBEJNZNHHCJJ-UHFFFAOYSA-N 1 2 201.273 1.322 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](OCC)C1CC1 ZINC001261798390 992517440 /nfs/dbraw/zinc/51/74/40/992517440.db2.gz KBXCTJODRSNAQK-STQMWFEESA-N 1 2 223.316 1.136 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](OCC)C1CC1 ZINC001261798390 992517447 /nfs/dbraw/zinc/51/74/47/992517447.db2.gz KBXCTJODRSNAQK-STQMWFEESA-N 1 2 223.316 1.136 20 30 BDEDLO Cc1ccc(C[NH+]2CC(O)(CC#N)C2)c(O)c1 ZINC001262010730 992596136 /nfs/dbraw/zinc/59/61/36/992596136.db2.gz NSWYUDMDVWIFAC-UHFFFAOYSA-N 1 2 232.283 1.161 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1nonc1C ZINC001262203623 992798699 /nfs/dbraw/zinc/79/86/99/992798699.db2.gz YRUMCNIAAXVXHN-APPZFPTMSA-N 1 2 211.265 1.230 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1nonc1C ZINC001262203625 992800205 /nfs/dbraw/zinc/80/02/05/992800205.db2.gz YRUMCNIAAXVXHN-IONNQARKSA-N 1 2 211.265 1.230 20 30 BDEDLO C=C(CC)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001263956845 993623207 /nfs/dbraw/zinc/62/32/07/993623207.db2.gz STPCUZKSZSQCNS-UHFFFAOYSA-N 1 2 237.303 1.319 20 30 BDEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001264371729 993717046 /nfs/dbraw/zinc/71/70/46/993717046.db2.gz ZNHDHCAVQGDRPV-GFCCVEGCSA-N 1 2 242.338 1.845 20 30 BDEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001264371729 993717048 /nfs/dbraw/zinc/71/70/48/993717048.db2.gz ZNHDHCAVQGDRPV-GFCCVEGCSA-N 1 2 242.338 1.845 20 30 BDEDLO C=CCC1(O)CN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC001307209702 994800558 /nfs/dbraw/zinc/80/05/58/994800558.db2.gz KTXWFUIVWYJCIW-UHFFFAOYSA-N 1 2 247.342 1.729 20 30 BDEDLO C=CCn1cnnc1SCc1ccc[nH+]c1N ZINC001307273213 995309915 /nfs/dbraw/zinc/30/99/15/995309915.db2.gz BXQABLCWPPRHSZ-UHFFFAOYSA-N 1 2 247.327 1.734 20 30 BDEDLO N#CCCC[N@@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001308050528 995536873 /nfs/dbraw/zinc/53/68/73/995536873.db2.gz JPZQJAYLVFNVQH-UHFFFAOYSA-N 1 2 244.298 1.679 20 30 BDEDLO N#CCCC[N@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001308050528 995536883 /nfs/dbraw/zinc/53/68/83/995536883.db2.gz JPZQJAYLVFNVQH-UHFFFAOYSA-N 1 2 244.298 1.679 20 30 BDEDLO Cc1cn2ccc(C(=O)N[C@H](C)CC#N)cc2[nH+]1 ZINC000602086186 349433535 /nfs/dbraw/zinc/43/35/35/349433535.db2.gz QUSJJLABEMKZBU-SECBINFHSA-N 1 2 242.282 1.675 20 30 BDEDLO C=C(Br)C[N@H+]1CCOC[C@@H](C)C1 ZINC000307677689 349440747 /nfs/dbraw/zinc/44/07/47/349440747.db2.gz JEYGWHYROJANDU-QMMMGPOBSA-N 1 2 234.137 1.863 20 30 BDEDLO C=C(Br)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000307677689 349440749 /nfs/dbraw/zinc/44/07/49/349440749.db2.gz JEYGWHYROJANDU-QMMMGPOBSA-N 1 2 234.137 1.863 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@@H](C#N)C(C)(C)C)[nH+]1 ZINC000602115661 349445082 /nfs/dbraw/zinc/44/50/82/349445082.db2.gz JREQGZFSEXMULT-JTQLQIEISA-N 1 2 248.330 1.569 20 30 BDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C)C#N ZINC000602188352 349469081 /nfs/dbraw/zinc/46/90/81/349469081.db2.gz PHZWHPLFDYIGPN-IVZWLZJFSA-N 1 2 232.287 1.274 20 30 BDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)C#N ZINC000602188352 349469083 /nfs/dbraw/zinc/46/90/83/349469083.db2.gz PHZWHPLFDYIGPN-IVZWLZJFSA-N 1 2 232.287 1.274 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](F)C2)n1 ZINC000602708023 343979511 /nfs/dbraw/zinc/97/95/11/343979511.db2.gz WFLWGQWVMSVTSE-JTQLQIEISA-N 1 2 219.263 1.887 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](F)C2)n1 ZINC000602708023 343979514 /nfs/dbraw/zinc/97/95/14/343979514.db2.gz WFLWGQWVMSVTSE-JTQLQIEISA-N 1 2 219.263 1.887 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161800450 349508086 /nfs/dbraw/zinc/50/80/86/349508086.db2.gz LSIRIBZOYYVMJH-LBPRGKRZSA-N 1 2 247.342 1.870 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000076186061 398226310 /nfs/dbraw/zinc/22/63/10/398226310.db2.gz DNRBVBVNMLVEEI-UONOGXRCSA-N 1 2 246.354 1.250 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC000335235771 343992167 /nfs/dbraw/zinc/99/21/67/343992167.db2.gz ZXUZCFAHIDGVMY-CYBMUJFWSA-N 1 2 248.301 1.900 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC000335235771 343992170 /nfs/dbraw/zinc/99/21/70/343992170.db2.gz ZXUZCFAHIDGVMY-CYBMUJFWSA-N 1 2 248.301 1.900 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000576596030 365635276 /nfs/dbraw/zinc/63/52/76/365635276.db2.gz SOEBZFFDFGYNDH-NXEZZACHSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000576596030 365635281 /nfs/dbraw/zinc/63/52/81/365635281.db2.gz SOEBZFFDFGYNDH-NXEZZACHSA-N 1 2 234.303 1.397 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000293348410 136229390 /nfs/dbraw/zinc/22/93/90/136229390.db2.gz ZCKAKMSIURGTER-GFCCVEGCSA-N 1 2 230.311 1.969 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000293348410 136229391 /nfs/dbraw/zinc/22/93/91/136229391.db2.gz ZCKAKMSIURGTER-GFCCVEGCSA-N 1 2 230.311 1.969 20 30 BDEDLO C=CC[C@@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000576552362 365625039 /nfs/dbraw/zinc/62/50/39/365625039.db2.gz IDFLXMXUGFIQQE-NSHDSACASA-N 1 2 249.314 1.179 20 30 BDEDLO CC[C@@H](C)[C@@H](C[N@@H+](CCC#N)CCOC)OC ZINC000602466034 349539118 /nfs/dbraw/zinc/53/91/18/349539118.db2.gz UQCARGWAAQVURV-CHWSQXEVSA-N 1 2 242.363 1.910 20 30 BDEDLO CC[C@@H](C)[C@@H](C[N@H+](CCC#N)CCOC)OC ZINC000602466034 349539121 /nfs/dbraw/zinc/53/91/21/349539121.db2.gz UQCARGWAAQVURV-CHWSQXEVSA-N 1 2 242.363 1.910 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH+]cn1C ZINC000291151046 538947684 /nfs/dbraw/zinc/94/76/84/538947684.db2.gz GVJHLUFARLPJBQ-GFCCVEGCSA-N 1 2 221.304 1.639 20 30 BDEDLO Cn1cc[nH+]c1[C@H](C1CC1)N(CC#N)C1CC1 ZINC000602448679 349549610 /nfs/dbraw/zinc/54/96/10/349549610.db2.gz LXQODZAVEGVXJY-LBPRGKRZSA-N 1 2 230.315 1.859 20 30 BDEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCO[C@H](C#N)C1 ZINC000602462397 349556210 /nfs/dbraw/zinc/55/62/10/349556210.db2.gz BFHLJMUQLGLYFP-VXGBXAGGSA-N 1 2 246.314 1.096 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602462639 349556560 /nfs/dbraw/zinc/55/65/60/349556560.db2.gz NTDHOKDLWDVJQF-SNVBAGLBSA-N 1 2 214.272 1.687 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602462639 349556563 /nfs/dbraw/zinc/55/65/63/349556563.db2.gz NTDHOKDLWDVJQF-SNVBAGLBSA-N 1 2 214.272 1.687 20 30 BDEDLO Cc1c[nH]c(CN(CCC#N)CCC#N)[nH+]1 ZINC000600135860 342688331 /nfs/dbraw/zinc/68/83/31/342688331.db2.gz OCHUTKXVUCKLLA-UHFFFAOYSA-N 1 2 217.276 1.347 20 30 BDEDLO C=CCCCNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621303477 342697974 /nfs/dbraw/zinc/69/79/74/342697974.db2.gz GQKSMJUAHRNJKS-UHFFFAOYSA-N 1 2 245.286 1.387 20 30 BDEDLO CCC(CC)NC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454417 168383096 /nfs/dbraw/zinc/38/30/96/168383096.db2.gz PMCVAMVPFINLMW-NSHDSACASA-N 1 2 239.363 1.915 20 30 BDEDLO CCC(CC)NC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454417 168383098 /nfs/dbraw/zinc/38/30/98/168383098.db2.gz PMCVAMVPFINLMW-NSHDSACASA-N 1 2 239.363 1.915 20 30 BDEDLO CC#CCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000545904731 361912185 /nfs/dbraw/zinc/91/21/85/361912185.db2.gz BPFDHPIFWFOHCQ-NSHDSACASA-N 1 2 241.356 1.380 20 30 BDEDLO CC#CCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000545904731 361912186 /nfs/dbraw/zinc/91/21/86/361912186.db2.gz BPFDHPIFWFOHCQ-NSHDSACASA-N 1 2 241.356 1.380 20 30 BDEDLO Cc1ncc([C@H](C)[NH2+]C[C@H](C)C#N)c(C)n1 ZINC000602607045 349628834 /nfs/dbraw/zinc/62/88/34/349628834.db2.gz FWQLIGWHMZKWOF-BDAKNGLRSA-N 1 2 218.304 1.904 20 30 BDEDLO C[C@@H](C#N)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000602607911 349630778 /nfs/dbraw/zinc/63/07/78/349630778.db2.gz NKCCMWDJVGOFTB-GXSJLCMTSA-N 1 2 218.304 1.620 20 30 BDEDLO C=CCCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000620858562 398301623 /nfs/dbraw/zinc/30/16/23/398301623.db2.gz JSRXLNRWZCXTMZ-LLVKDONJSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000620858562 398301626 /nfs/dbraw/zinc/30/16/26/398301626.db2.gz JSRXLNRWZCXTMZ-LLVKDONJSA-N 1 2 240.347 1.178 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000602608253 349632025 /nfs/dbraw/zinc/63/20/25/349632025.db2.gz SIMNTPUERKDBMR-SECBINFHSA-N 1 2 233.271 1.102 20 30 BDEDLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(C#N)c1 ZINC000114188275 398309274 /nfs/dbraw/zinc/30/92/74/398309274.db2.gz OXYIDGYCNDXZGD-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(C#N)c1 ZINC000114188275 398309277 /nfs/dbraw/zinc/30/92/77/398309277.db2.gz OXYIDGYCNDXZGD-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@H](CC)C1CC1)C(=O)OC ZINC000602644214 349656818 /nfs/dbraw/zinc/65/68/18/349656818.db2.gz WVQHKPQORLPVHA-VXGBXAGGSA-N 1 2 241.331 1.509 20 30 BDEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@](F)(C#N)C1 ZINC000602627433 349664049 /nfs/dbraw/zinc/66/40/49/349664049.db2.gz CAHZIFMYAXWEBA-AAEUAGOBSA-N 1 2 248.305 1.809 20 30 BDEDLO Cn1ncnc1C[NH2+]CC1(C#N)CCCCC1 ZINC000602718228 349686548 /nfs/dbraw/zinc/68/65/48/349686548.db2.gz RVGHDJAZATYYEY-UHFFFAOYSA-N 1 2 233.319 1.379 20 30 BDEDLO CCn1ccc(C[NH2+]Cc2cccc(C#N)n2)n1 ZINC000602697451 349693383 /nfs/dbraw/zinc/69/33/83/349693383.db2.gz SWDOQHYMJBJVJR-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO CC[C@H](C)[C@H](C[NH+]1CC(C)(C#N)C1)OC ZINC000602691676 349689054 /nfs/dbraw/zinc/68/90/54/349689054.db2.gz ZIBWXTHKPSCSQM-QWRGUYRKSA-N 1 2 210.321 1.893 20 30 BDEDLO C=C(C)C[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000602734629 349719758 /nfs/dbraw/zinc/71/97/58/349719758.db2.gz QCNVZUNVLJRBMS-NSHDSACASA-N 1 2 237.303 1.018 20 30 BDEDLO CC(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000308303811 259339719 /nfs/dbraw/zinc/33/97/19/259339719.db2.gz NGRBLYXBJPVKSZ-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CC(=O)NCC[N@H+](C)Cc1cccc(C#N)c1F ZINC000308303811 259339721 /nfs/dbraw/zinc/33/97/21/259339721.db2.gz NGRBLYXBJPVKSZ-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)CC[S@](=O)C1 ZINC000602819351 349759495 /nfs/dbraw/zinc/75/94/95/349759495.db2.gz HJHKDTAPIAQVBM-ZBEGNZNMSA-N 1 2 240.372 1.381 20 30 BDEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC[S@](=O)C1 ZINC000602819351 349759501 /nfs/dbraw/zinc/75/95/01/349759501.db2.gz HJHKDTAPIAQVBM-ZBEGNZNMSA-N 1 2 240.372 1.381 20 30 BDEDLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000602817602 349758534 /nfs/dbraw/zinc/75/85/34/349758534.db2.gz UDVMTFYMUOCGSN-HBNTYKKESA-N 1 2 212.268 1.349 20 30 BDEDLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000602817602 349758536 /nfs/dbraw/zinc/75/85/36/349758536.db2.gz UDVMTFYMUOCGSN-HBNTYKKESA-N 1 2 212.268 1.349 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1cccs1 ZINC000602860736 349772897 /nfs/dbraw/zinc/77/28/97/349772897.db2.gz DULLDYRYTKLSOM-SECBINFHSA-N 1 2 237.328 1.256 20 30 BDEDLO N#CCC1(CN2CCn3c[nH+]cc3C2)CC1 ZINC000602840304 349778664 /nfs/dbraw/zinc/77/86/64/349778664.db2.gz ZFQQYEXPMFTIHL-UHFFFAOYSA-N 1 2 216.288 1.393 20 30 BDEDLO CC(C)n1cnnc1C[N@H+](C)CC1(CC#N)CC1 ZINC000602840837 349779054 /nfs/dbraw/zinc/77/90/54/349779054.db2.gz OAKOLHHVWXHHKB-UHFFFAOYSA-N 1 2 247.346 1.985 20 30 BDEDLO CC(C)n1cnnc1C[N@@H+](C)CC1(CC#N)CC1 ZINC000602840837 349779055 /nfs/dbraw/zinc/77/90/55/349779055.db2.gz OAKOLHHVWXHHKB-UHFFFAOYSA-N 1 2 247.346 1.985 20 30 BDEDLO COc1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602863649 349779283 /nfs/dbraw/zinc/77/92/83/349779283.db2.gz OZURUQWIVLZUSZ-SNVBAGLBSA-N 1 2 247.298 1.525 20 30 BDEDLO Cc1cc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)no1 ZINC000602849244 349784971 /nfs/dbraw/zinc/78/49/71/349784971.db2.gz KMPASFWLNPMTDC-QWRGUYRKSA-N 1 2 248.330 1.401 20 30 BDEDLO COCC1(C#N)CC[NH+](Cc2ccn(C)n2)CC1 ZINC000341975572 536801977 /nfs/dbraw/zinc/80/19/77/536801977.db2.gz JLTHLJRSJCHVLO-UHFFFAOYSA-N 1 2 248.330 1.172 20 30 BDEDLO Cc1cnc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC000602848895 349785040 /nfs/dbraw/zinc/78/50/40/349785040.db2.gz IPIBGSCOTYLBJM-PHIMTYICSA-N 1 2 248.330 1.401 20 30 BDEDLO Cc1cnc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC000602848895 349785041 /nfs/dbraw/zinc/78/50/41/349785041.db2.gz IPIBGSCOTYLBJM-PHIMTYICSA-N 1 2 248.330 1.401 20 30 BDEDLO Cc1cc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)on1 ZINC000602850821 349785833 /nfs/dbraw/zinc/78/58/33/349785833.db2.gz SMCUDZCKCSBTJQ-VXGBXAGGSA-N 1 2 248.330 1.401 20 30 BDEDLO C[C@H]1C[NH+](CC2(C#N)CC2)C[C@H](C)N1CC#N ZINC000602853430 349786995 /nfs/dbraw/zinc/78/69/95/349786995.db2.gz IRUOGWGLPCDBNT-RYUDHWBXSA-N 1 2 232.331 1.208 20 30 BDEDLO C=CCCCC(=O)NCCCn1cc[nH+]c1 ZINC000175103839 187227507 /nfs/dbraw/zinc/22/75/07/187227507.db2.gz ZAKNJYCXNJUORK-UHFFFAOYSA-N 1 2 221.304 1.746 20 30 BDEDLO C=CCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000178799560 187228495 /nfs/dbraw/zinc/22/84/95/187228495.db2.gz HENWYMBCJLELFK-UHFFFAOYSA-N 1 2 205.261 1.959 20 30 BDEDLO C#CCCCCNc1[nH+]cnc2c1cnn2C ZINC000177093512 187228543 /nfs/dbraw/zinc/22/85/43/187228543.db2.gz JEVGTOPSIWXWNT-UHFFFAOYSA-N 1 2 229.287 1.579 20 30 BDEDLO C#CCN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000174047206 187227432 /nfs/dbraw/zinc/22/74/32/187227432.db2.gz HHUBJRMBMLJFPV-UHFFFAOYSA-N 1 2 239.322 1.996 20 30 BDEDLO N#CCC[NH2+]Cc1cccc2c1OCCO2 ZINC000036168224 187230272 /nfs/dbraw/zinc/23/02/72/187230272.db2.gz OQRQGQDEZHMOQN-UHFFFAOYSA-N 1 2 218.256 1.461 20 30 BDEDLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)CC#N ZINC000602864043 349795925 /nfs/dbraw/zinc/79/59/25/349795925.db2.gz PXSQMENJBJFEPQ-RYUDHWBXSA-N 1 2 237.347 1.669 20 30 BDEDLO CCCN(CCC)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602864029 349795942 /nfs/dbraw/zinc/79/59/42/349795942.db2.gz PWBFDRHRYXEBFG-NSHDSACASA-N 1 2 225.336 1.527 20 30 BDEDLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)CC#N ZINC000602864040 349796436 /nfs/dbraw/zinc/79/64/36/349796436.db2.gz PXSQMENJBJFEPQ-NEPJUHHUSA-N 1 2 237.347 1.669 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000602863558 349796051 /nfs/dbraw/zinc/79/60/51/349796051.db2.gz OGXDTONBSLHSHX-JTQLQIEISA-N 1 2 235.287 1.130 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1CCCCCC1 ZINC000602864167 349796125 /nfs/dbraw/zinc/79/61/25/349796125.db2.gz QESMRSOXKXKWCT-NSHDSACASA-N 1 2 237.347 1.717 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2CCC2)nn1 ZINC000640948152 362094460 /nfs/dbraw/zinc/09/44/60/362094460.db2.gz UWTRNFIDZOZLMF-UHFFFAOYSA-N 1 2 218.304 1.191 20 30 BDEDLO C=C1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1 ZINC000264494075 187234732 /nfs/dbraw/zinc/23/47/32/187234732.db2.gz BOMPDIUQNGIUDQ-UHFFFAOYSA-N 1 2 248.326 1.890 20 30 BDEDLO C=CCCCC(=O)NCc1[nH+]ccn1C ZINC000267117574 187235884 /nfs/dbraw/zinc/23/58/84/187235884.db2.gz CUSWQIUXUIRLQP-UHFFFAOYSA-N 1 2 207.277 1.393 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000602868321 349798702 /nfs/dbraw/zinc/79/87/02/349798702.db2.gz AKTGGDJOFDTVNC-SECBINFHSA-N 1 2 245.286 1.467 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1c(Cl)cnn1C ZINC000275679729 187237754 /nfs/dbraw/zinc/23/77/54/187237754.db2.gz ZVALNQAQIXYKAE-UHFFFAOYSA-N 1 2 220.103 1.916 20 30 BDEDLO C#CCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277483015 187238754 /nfs/dbraw/zinc/23/87/54/187238754.db2.gz KNDBEBCUBSEBSP-GFCCVEGCSA-N 1 2 245.326 1.919 20 30 BDEDLO C=CCC1(C(=O)NC2=[NH+]CCS2)CCC1 ZINC000276658952 187239177 /nfs/dbraw/zinc/23/91/77/187239177.db2.gz PZBISIDYJIZHEA-UHFFFAOYSA-N 1 2 224.329 1.952 20 30 BDEDLO C=C(Cl)CNC(=O)CCc1c[nH+]cn1C ZINC000276630796 187239237 /nfs/dbraw/zinc/23/92/37/187239237.db2.gz SPUIQHHWULZQPB-UHFFFAOYSA-N 1 2 227.695 1.221 20 30 BDEDLO C=C(Br)C[N@H+]1CC[C@H](OC)C1 ZINC000267688851 187235649 /nfs/dbraw/zinc/23/56/49/187235649.db2.gz RUEKHUGNUXWBLJ-QMMMGPOBSA-N 1 2 220.110 1.616 20 30 BDEDLO C=C(Br)C[N@@H+]1CC[C@H](OC)C1 ZINC000267688851 187235651 /nfs/dbraw/zinc/23/56/51/187235651.db2.gz RUEKHUGNUXWBLJ-QMMMGPOBSA-N 1 2 220.110 1.616 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000602869047 349800019 /nfs/dbraw/zinc/80/00/19/349800019.db2.gz FOCMDMXVXBGQAL-MRVPVSSYSA-N 1 2 232.287 1.451 20 30 BDEDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CC#N ZINC000602869714 349800704 /nfs/dbraw/zinc/80/07/04/349800704.db2.gz HMMQQRKVBFXUCI-VIFPVBQESA-N 1 2 249.270 1.995 20 30 BDEDLO Cc1cc(N2CCC(C#N)CC2)nc[nH+]1 ZINC000110383077 136276403 /nfs/dbraw/zinc/27/64/03/136276403.db2.gz SQNOFQOMSSQGBW-UHFFFAOYSA-N 1 2 202.261 1.525 20 30 BDEDLO N#CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000308939024 136274317 /nfs/dbraw/zinc/27/43/17/136274317.db2.gz PGGKECVFNDSOPS-AXFHLTTASA-N 1 2 206.289 1.447 20 30 BDEDLO COC[C@H](C)NC(=[NH2+])NCc1occc1C ZINC000262691181 136281311 /nfs/dbraw/zinc/28/13/11/136281311.db2.gz GENXJBRTHOYLCD-VIFPVBQESA-N 1 2 225.292 1.027 20 30 BDEDLO CC#CC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000120460679 136292542 /nfs/dbraw/zinc/29/25/42/136292542.db2.gz VRHKEASPBZXRGH-CQSZACIVSA-N 1 2 243.354 1.784 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)CCCCCC#N ZINC000588345879 343280171 /nfs/dbraw/zinc/28/01/71/343280171.db2.gz OJXITRNBWBIVRH-UHFFFAOYSA-N 1 2 234.303 1.510 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNc1ncccc1C#N ZINC000609150142 343321662 /nfs/dbraw/zinc/32/16/62/343321662.db2.gz QMXAJYQQAFJZPQ-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNc1ncccc1C#N ZINC000609150142 343321664 /nfs/dbraw/zinc/32/16/64/343321664.db2.gz QMXAJYQQAFJZPQ-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2CC=CC2)nn1 ZINC000641078448 362189449 /nfs/dbraw/zinc/18/94/49/362189449.db2.gz CVUYQVXERXAVON-UHFFFAOYSA-N 1 2 230.315 1.357 20 30 BDEDLO CCN(C#N)CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602901742 349816592 /nfs/dbraw/zinc/81/65/92/349816592.db2.gz DSPXQAYAYDLFDO-LLVKDONJSA-N 1 2 206.293 1.025 20 30 BDEDLO CCN(C#N)CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000602901742 349816597 /nfs/dbraw/zinc/81/65/97/349816597.db2.gz DSPXQAYAYDLFDO-LLVKDONJSA-N 1 2 206.293 1.025 20 30 BDEDLO C#C[C@@H](CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000379978759 365778431 /nfs/dbraw/zinc/77/84/31/365778431.db2.gz GFIFVDJVMNVPBD-JTQLQIEISA-N 1 2 203.289 1.846 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000119212032 343675443 /nfs/dbraw/zinc/67/54/43/343675443.db2.gz KASMPFPGMYQMDC-GHMZBOCLSA-N 1 2 229.320 1.101 20 30 BDEDLO C#CC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273148616 166192403 /nfs/dbraw/zinc/19/24/03/166192403.db2.gz WJQVGISBAGDQQW-SNVBAGLBSA-N 1 2 211.211 1.221 20 30 BDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000311198054 343664208 /nfs/dbraw/zinc/66/42/08/343664208.db2.gz GMPUERBHAYPNSO-NSHDSACASA-N 1 2 245.330 1.646 20 30 BDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000311198054 343664210 /nfs/dbraw/zinc/66/42/10/343664210.db2.gz GMPUERBHAYPNSO-NSHDSACASA-N 1 2 245.330 1.646 20 30 BDEDLO CN(Cc1c[nH+]cn1C)[C@H]1CCC[C@H]1C#N ZINC000602978499 349842920 /nfs/dbraw/zinc/84/29/20/349842920.db2.gz RVPKQOLMWMDYSZ-JQWIXIFHSA-N 1 2 218.304 1.544 20 30 BDEDLO CN(Cc1cn(C)c[nH+]1)[C@@H]1CCC[C@H]1C#N ZINC000602980694 349846297 /nfs/dbraw/zinc/84/62/97/349846297.db2.gz UEDWTGHYFKQKQF-CMPLNLGQSA-N 1 2 218.304 1.544 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000603159410 349879061 /nfs/dbraw/zinc/87/90/61/349879061.db2.gz KKFZQFPMHIOOLH-ZJUUUORDSA-N 1 2 234.303 1.773 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334602904 343894356 /nfs/dbraw/zinc/89/43/56/343894356.db2.gz SPQFGFSDCPHRCE-CYBMUJFWSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334602904 343894357 /nfs/dbraw/zinc/89/43/57/343894357.db2.gz SPQFGFSDCPHRCE-CYBMUJFWSA-N 1 2 246.285 1.654 20 30 BDEDLO COc1cc(C[NH+]2CC(C)(O)C2)ccc1C#N ZINC000234959569 344506626 /nfs/dbraw/zinc/50/66/26/344506626.db2.gz NRZSWOVQSSEVAS-UHFFFAOYSA-N 1 2 232.283 1.133 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000381492245 344512893 /nfs/dbraw/zinc/51/28/93/344512893.db2.gz YLLGQBUEMDWXMN-IUCAKERBSA-N 1 2 233.258 1.739 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000625953097 344591320 /nfs/dbraw/zinc/59/13/20/344591320.db2.gz JKWDEVXGGWSTCQ-CHWSQXEVSA-N 1 2 225.332 1.526 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000625953097 344591323 /nfs/dbraw/zinc/59/13/23/344591323.db2.gz JKWDEVXGGWSTCQ-CHWSQXEVSA-N 1 2 225.332 1.526 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000641548803 362491458 /nfs/dbraw/zinc/49/14/58/362491458.db2.gz OKLNJLANJGSMKY-OCCSQVGLSA-N 1 2 248.326 1.967 20 30 BDEDLO CC1(C/[NH+]=C/c2ccccc2O)COC1 ZINC000112561674 344646033 /nfs/dbraw/zinc/64/60/33/344646033.db2.gz DLNAJXQLPZJDNB-AWNIVKPZSA-N 1 2 205.257 1.848 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000119926818 344684907 /nfs/dbraw/zinc/68/49/07/344684907.db2.gz KUOWQNACJIJUNK-SNVBAGLBSA-N 1 2 249.339 1.569 20 30 BDEDLO CC#CC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000119926818 344684909 /nfs/dbraw/zinc/68/49/09/344684909.db2.gz KUOWQNACJIJUNK-SNVBAGLBSA-N 1 2 249.339 1.569 20 30 BDEDLO C#CC[NH+](CC#C)CC[S@](=O)c1ccccc1 ZINC000076185843 344799943 /nfs/dbraw/zinc/79/99/43/344799943.db2.gz XUSGVSMQSYNBQV-QGZVFWFLSA-N 1 2 245.347 1.363 20 30 BDEDLO CCOC(=O)C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000166226429 344807014 /nfs/dbraw/zinc/80/70/14/344807014.db2.gz SGWRJKMTYPACAD-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000166226429 344807015 /nfs/dbraw/zinc/80/70/15/344807015.db2.gz SGWRJKMTYPACAD-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CC(C)(C#N)C(=O)NCCNc1cccc[nH+]1 ZINC000299218669 534972002 /nfs/dbraw/zinc/97/20/02/534972002.db2.gz KJWPHXAIYSLKNJ-UHFFFAOYSA-N 1 2 232.287 1.159 20 30 BDEDLO CC[C@H](C)[C@@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000425220621 192084801 /nfs/dbraw/zinc/08/48/01/192084801.db2.gz CPURFJZXIGZPFU-ZANVPECISA-N 1 2 233.315 1.503 20 30 BDEDLO Cc1cc(N[C@@H]2CCC[C@@H]2CCO)c(C#N)c[nH+]1 ZINC000425243384 192085137 /nfs/dbraw/zinc/08/51/37/192085137.db2.gz QHMQXRFRJTXIQX-DGCLKSJQSA-N 1 2 245.326 1.647 20 30 BDEDLO C=CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635070857 345239096 /nfs/dbraw/zinc/23/90/96/345239096.db2.gz VIXGWJADPMVDNR-LLVKDONJSA-N 1 2 221.304 1.773 20 30 BDEDLO N#CCC[N@@H+](Cc1ccno1)CC1CC1 ZINC000081044364 345459729 /nfs/dbraw/zinc/45/97/29/345459729.db2.gz UFFUSYPZPIFVOZ-UHFFFAOYSA-N 1 2 205.261 1.800 20 30 BDEDLO N#CCC[N@H+](Cc1ccno1)CC1CC1 ZINC000081044364 345459730 /nfs/dbraw/zinc/45/97/30/345459730.db2.gz UFFUSYPZPIFVOZ-UHFFFAOYSA-N 1 2 205.261 1.800 20 30 BDEDLO NC(CCO)=[NH+]OCc1ccc(F)cc1F ZINC000136072585 345474135 /nfs/dbraw/zinc/47/41/35/345474135.db2.gz JWTZEHVHLHWDHW-UHFFFAOYSA-N 1 2 230.214 1.136 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(C(=O)NC)cc1 ZINC000081514129 345482341 /nfs/dbraw/zinc/48/23/41/345482341.db2.gz VQLCJOOSWSHJOU-UHFFFAOYSA-N 1 2 245.326 1.782 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(C(=O)NC)cc1 ZINC000081514129 345482345 /nfs/dbraw/zinc/48/23/45/345482345.db2.gz VQLCJOOSWSHJOU-UHFFFAOYSA-N 1 2 245.326 1.782 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000378787163 345568898 /nfs/dbraw/zinc/56/88/98/345568898.db2.gz KNUMYESTRCLRSZ-RYUDHWBXSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000378787163 345568902 /nfs/dbraw/zinc/56/89/02/345568902.db2.gz KNUMYESTRCLRSZ-RYUDHWBXSA-N 1 2 241.331 1.461 20 30 BDEDLO COc1ccc2c(c1)CC[N@@H+](CCC#N)C2 ZINC000135778738 345788652 /nfs/dbraw/zinc/78/86/52/345788652.db2.gz IGEWIKFVSGGVEW-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO COc1ccc2c(c1)CC[N@H+](CCC#N)C2 ZINC000135778738 345788654 /nfs/dbraw/zinc/78/86/54/345788654.db2.gz IGEWIKFVSGGVEW-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635576848 345854957 /nfs/dbraw/zinc/85/49/57/345854957.db2.gz OBFMMZQNMXNQFF-OPRDCNLKSA-N 1 2 219.288 1.594 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635576848 345854961 /nfs/dbraw/zinc/85/49/61/345854961.db2.gz OBFMMZQNMXNQFF-OPRDCNLKSA-N 1 2 219.288 1.594 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635809995 346073169 /nfs/dbraw/zinc/07/31/69/346073169.db2.gz CKEOLCUVMZBQDG-GHMZBOCLSA-N 1 2 233.315 1.986 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635809995 346073170 /nfs/dbraw/zinc/07/31/70/346073170.db2.gz CKEOLCUVMZBQDG-GHMZBOCLSA-N 1 2 233.315 1.986 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1snnc1C ZINC000571050383 323105489 /nfs/dbraw/zinc/10/54/89/323105489.db2.gz PHUBJNRHTILELK-UHFFFAOYSA-N 1 2 227.333 1.481 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1snnc1C ZINC000571050383 323105490 /nfs/dbraw/zinc/10/54/90/323105490.db2.gz PHUBJNRHTILELK-UHFFFAOYSA-N 1 2 227.333 1.481 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635988436 346139979 /nfs/dbraw/zinc/13/99/79/346139979.db2.gz QVOMOWQSTAOZOG-NXEZZACHSA-N 1 2 233.315 1.842 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635988436 346139981 /nfs/dbraw/zinc/13/99/81/346139981.db2.gz QVOMOWQSTAOZOG-NXEZZACHSA-N 1 2 233.315 1.842 20 30 BDEDLO Cc1cc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)nc[nH+]1 ZINC000603405394 349944885 /nfs/dbraw/zinc/94/48/85/349944885.db2.gz HZHGOEWHLDOUPX-RYUDHWBXSA-N 1 2 245.330 1.208 20 30 BDEDLO N#C[C@H]1CC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000603399217 349946677 /nfs/dbraw/zinc/94/66/77/349946677.db2.gz ZGCFJIPPJJUWOH-GXSJLCMTSA-N 1 2 217.272 1.678 20 30 BDEDLO N#Cc1cnc(C[N@@H+]2CCCC3(CC3)C2)nc1 ZINC000333605576 187366345 /nfs/dbraw/zinc/36/63/45/187366345.db2.gz XDSAQRMAJVQDPH-UHFFFAOYSA-N 1 2 228.299 1.724 20 30 BDEDLO N#Cc1cnc(C[N@H+]2CCCC3(CC3)C2)nc1 ZINC000333605576 187366347 /nfs/dbraw/zinc/36/63/47/187366347.db2.gz XDSAQRMAJVQDPH-UHFFFAOYSA-N 1 2 228.299 1.724 20 30 BDEDLO N#CCC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000580183652 346628289 /nfs/dbraw/zinc/62/82/89/346628289.db2.gz NCZWGSZRGXMESF-LBPRGKRZSA-N 1 2 247.273 1.434 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000589309636 346689212 /nfs/dbraw/zinc/68/92/12/346689212.db2.gz YKFACFNUHNHZJB-RYUDHWBXSA-N 1 2 249.314 1.166 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000589309636 346689215 /nfs/dbraw/zinc/68/92/15/346689215.db2.gz YKFACFNUHNHZJB-RYUDHWBXSA-N 1 2 249.314 1.166 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccsc1 ZINC000589826971 346741763 /nfs/dbraw/zinc/74/17/63/346741763.db2.gz OKLMCYQXBPLOLP-NSHDSACASA-N 1 2 237.328 1.322 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3cn[nH]c3C2)C1 ZINC000590166961 346785752 /nfs/dbraw/zinc/78/57/52/346785752.db2.gz IZNNWNDBNQNVCT-ONGXEEELSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3cn[nH]c3C2)C1 ZINC000590166961 346785753 /nfs/dbraw/zinc/78/57/53/346785753.db2.gz IZNNWNDBNQNVCT-ONGXEEELSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c[nH]nc3C2)C1 ZINC000590166961 346785755 /nfs/dbraw/zinc/78/57/55/346785755.db2.gz IZNNWNDBNQNVCT-ONGXEEELSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3c[nH]nc3C2)C1 ZINC000590166961 346785757 /nfs/dbraw/zinc/78/57/57/346785757.db2.gz IZNNWNDBNQNVCT-ONGXEEELSA-N 1 2 216.288 1.460 20 30 BDEDLO N#CCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000364302083 347365668 /nfs/dbraw/zinc/36/56/68/347365668.db2.gz GIAXSRRYZSWXOS-UHFFFAOYSA-N 1 2 244.298 1.034 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192810805 347384185 /nfs/dbraw/zinc/38/41/85/347384185.db2.gz LHPUVMMPZZMSRS-VIFPVBQESA-N 1 2 205.261 1.117 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192810805 347384187 /nfs/dbraw/zinc/38/41/87/347384187.db2.gz LHPUVMMPZZMSRS-VIFPVBQESA-N 1 2 205.261 1.117 20 30 BDEDLO C[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000192987929 347387707 /nfs/dbraw/zinc/38/77/07/347387707.db2.gz YCZBYQKNCHLDOU-JTQLQIEISA-N 1 2 208.261 1.376 20 30 BDEDLO C[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000192987929 347387710 /nfs/dbraw/zinc/38/77/10/347387710.db2.gz YCZBYQKNCHLDOU-JTQLQIEISA-N 1 2 208.261 1.376 20 30 BDEDLO Cc1ncccc1O[C@@H]1CC[N@H+](CCC#N)C1 ZINC000364587473 347463289 /nfs/dbraw/zinc/46/32/89/347463289.db2.gz CZFAJTOMDTUGTL-GFCCVEGCSA-N 1 2 231.299 1.757 20 30 BDEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000364587473 347463291 /nfs/dbraw/zinc/46/32/91/347463291.db2.gz CZFAJTOMDTUGTL-GFCCVEGCSA-N 1 2 231.299 1.757 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)C1(C#N)CCCC1 ZINC000292058343 347507938 /nfs/dbraw/zinc/50/79/38/347507938.db2.gz RXSVCEBSMGSFCW-UHFFFAOYSA-N 1 2 232.287 1.120 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000292598416 347513518 /nfs/dbraw/zinc/51/35/18/347513518.db2.gz WMQSQBHCFSQXJF-LBPRGKRZSA-N 1 2 232.287 1.151 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000292598416 347513521 /nfs/dbraw/zinc/51/35/21/347513521.db2.gz WMQSQBHCFSQXJF-LBPRGKRZSA-N 1 2 232.287 1.151 20 30 BDEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000592124959 347738377 /nfs/dbraw/zinc/73/83/77/347738377.db2.gz OJUBVELNWWGPFP-OCCSQVGLSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000592124959 347738378 /nfs/dbraw/zinc/73/83/78/347738378.db2.gz OJUBVELNWWGPFP-OCCSQVGLSA-N 1 2 243.310 1.564 20 30 BDEDLO N#CCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000592159751 347745950 /nfs/dbraw/zinc/74/59/50/347745950.db2.gz FLXBZBXEOWONHC-LBPRGKRZSA-N 1 2 222.263 1.752 20 30 BDEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@H](F)C3)cnc12 ZINC000592514645 347793722 /nfs/dbraw/zinc/79/37/22/347793722.db2.gz UMMLFZFDDSJIHL-NSHDSACASA-N 1 2 245.261 1.145 20 30 BDEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@H](F)C3)cnc12 ZINC000592514645 347793721 /nfs/dbraw/zinc/79/37/21/347793721.db2.gz UMMLFZFDDSJIHL-NSHDSACASA-N 1 2 245.261 1.145 20 30 BDEDLO CCCN(CC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593038157 347843125 /nfs/dbraw/zinc/84/31/25/347843125.db2.gz YHSPXVGELAGPSD-LLVKDONJSA-N 1 2 234.303 1.596 20 30 BDEDLO Cc1cncc(CC[N@@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000593022199 347846193 /nfs/dbraw/zinc/84/61/93/347846193.db2.gz DFKDWTSPVJRLLH-CQSZACIVSA-N 1 2 244.342 1.953 20 30 BDEDLO Cc1cncc(CC[N@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000593022199 347846194 /nfs/dbraw/zinc/84/61/94/347846194.db2.gz DFKDWTSPVJRLLH-CQSZACIVSA-N 1 2 244.342 1.953 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029294 347847008 /nfs/dbraw/zinc/84/70/08/347847008.db2.gz SQCXXCSPOGEIRP-VHSXEESVSA-N 1 2 249.318 1.382 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029294 347847010 /nfs/dbraw/zinc/84/70/10/347847010.db2.gz SQCXXCSPOGEIRP-VHSXEESVSA-N 1 2 249.318 1.382 20 30 BDEDLO C=CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000577332009 365926973 /nfs/dbraw/zinc/92/69/73/365926973.db2.gz CTGYVJSEZHZFRL-UHFFFAOYSA-N 1 2 228.299 1.261 20 30 BDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000593154510 347866465 /nfs/dbraw/zinc/86/64/65/347866465.db2.gz YVWGBOKKXNIUMB-MFKMUULPSA-N 1 2 249.314 1.343 20 30 BDEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154760 347866556 /nfs/dbraw/zinc/86/65/56/347866556.db2.gz BLXHHLOFOVPTTE-GMXVVIOVSA-N 1 2 237.347 1.239 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593406742 347884846 /nfs/dbraw/zinc/88/48/46/347884846.db2.gz FMWBTKFXFABKAH-NWDGAFQWSA-N 1 2 248.330 1.842 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000593448307 347892658 /nfs/dbraw/zinc/89/26/58/347892658.db2.gz PQMUTLZCFIIZNN-WDEREUQCSA-N 1 2 246.314 1.665 20 30 BDEDLO CC[C@@H](C#N)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000593595089 347915564 /nfs/dbraw/zinc/91/55/64/347915564.db2.gz BJDCVEAFIGZANX-VIFPVBQESA-N 1 2 232.287 1.636 20 30 BDEDLO CC[C@@H](C#N)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000594095467 348011204 /nfs/dbraw/zinc/01/12/04/348011204.db2.gz WFCLKXUCKYLXNO-NSHDSACASA-N 1 2 242.282 1.708 20 30 BDEDLO COCC1(C2CCC2)C[NH+](CCC#N)C1 ZINC000594716293 348106362 /nfs/dbraw/zinc/10/63/62/348106362.db2.gz OHTXSZKHOIKPPH-UHFFFAOYSA-N 1 2 208.305 1.649 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594613525 348083435 /nfs/dbraw/zinc/08/34/35/348083435.db2.gz UUUJPRRWWKSRMV-UHFFFAOYSA-N 1 2 232.331 1.859 20 30 BDEDLO C[C@H](CCC#N)N1CCn2c[nH+]cc2C1 ZINC000595492504 348262365 /nfs/dbraw/zinc/26/23/65/348262365.db2.gz WNRWVHNWLPKSLK-SNVBAGLBSA-N 1 2 204.277 1.391 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCn2cncc2C1 ZINC000595492504 348262366 /nfs/dbraw/zinc/26/23/66/348262366.db2.gz WNRWVHNWLPKSLK-SNVBAGLBSA-N 1 2 204.277 1.391 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCn2cncc2C1 ZINC000595492504 348262368 /nfs/dbraw/zinc/26/23/68/348262368.db2.gz WNRWVHNWLPKSLK-SNVBAGLBSA-N 1 2 204.277 1.391 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000595454923 348254613 /nfs/dbraw/zinc/25/46/13/348254613.db2.gz LNKVUMBMHOTHIF-GMTAPVOTSA-N 1 2 212.268 1.227 20 30 BDEDLO N#C[C@]1(F)CC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000595454923 348254616 /nfs/dbraw/zinc/25/46/16/348254616.db2.gz LNKVUMBMHOTHIF-GMTAPVOTSA-N 1 2 212.268 1.227 20 30 BDEDLO C[C@@H]1C[C@H]([N@@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000595456588 348255397 /nfs/dbraw/zinc/25/53/97/348255397.db2.gz SKFKGDLIZGJDLZ-MXWKQRLJSA-N 1 2 212.268 1.491 20 30 BDEDLO C[C@@H]1C[C@H]([N@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000595456588 348255398 /nfs/dbraw/zinc/25/53/98/348255398.db2.gz SKFKGDLIZGJDLZ-MXWKQRLJSA-N 1 2 212.268 1.491 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCn3cncc3C2)ccn1 ZINC000595489365 348261453 /nfs/dbraw/zinc/26/14/53/348261453.db2.gz HWZWDTQTSWRVIJ-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCn3cncc3C2)ccn1 ZINC000595489365 348261456 /nfs/dbraw/zinc/26/14/56/348261456.db2.gz HWZWDTQTSWRVIJ-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1cccc(C#N)c1 ZINC000595546278 348267683 /nfs/dbraw/zinc/26/76/83/348267683.db2.gz NMZASFHJCCBWQC-UHFFFAOYSA-N 1 2 244.254 1.279 20 30 BDEDLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1cccc(C#N)c1 ZINC000595546278 348267687 /nfs/dbraw/zinc/26/76/87/348267687.db2.gz NMZASFHJCCBWQC-UHFFFAOYSA-N 1 2 244.254 1.279 20 30 BDEDLO COCC[N@H+](CC#N)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595523725 348270817 /nfs/dbraw/zinc/27/08/17/348270817.db2.gz LEWTZWZYPCXNDF-ZSBIGDGJSA-N 1 2 208.305 1.504 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595523725 348270820 /nfs/dbraw/zinc/27/08/20/348270820.db2.gz LEWTZWZYPCXNDF-ZSBIGDGJSA-N 1 2 208.305 1.504 20 30 BDEDLO CCc1nnc([C@H](C)[NH2+][C@@H](CC)CC#N)[nH]1 ZINC000595530486 348273288 /nfs/dbraw/zinc/27/32/88/348273288.db2.gz QROOMGMOAFYTBP-IUCAKERBSA-N 1 2 221.308 1.710 20 30 BDEDLO CN(C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595619488 348290537 /nfs/dbraw/zinc/29/05/37/348290537.db2.gz BVQZRAYNCZXLMY-JTQLQIEISA-N 1 2 249.318 1.261 20 30 BDEDLO CN(C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595619488 348290539 /nfs/dbraw/zinc/29/05/39/348290539.db2.gz BVQZRAYNCZXLMY-JTQLQIEISA-N 1 2 249.318 1.261 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@H]1CCNC(=O)CC1)C1CC1 ZINC000595709034 348320312 /nfs/dbraw/zinc/32/03/12/348320312.db2.gz BRXICPRPUWRXSW-GHMZBOCLSA-N 1 2 235.331 1.279 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@H]1CCNC(=O)CC1)C1CC1 ZINC000595709034 348320315 /nfs/dbraw/zinc/32/03/15/348320315.db2.gz BRXICPRPUWRXSW-GHMZBOCLSA-N 1 2 235.331 1.279 20 30 BDEDLO CC[N@H+](CCC(=O)N1CCC[C@H]1C)[C@H](C)C#N ZINC000595813070 348353037 /nfs/dbraw/zinc/35/30/37/348353037.db2.gz JWXWYVWBUUIABP-VXGBXAGGSA-N 1 2 237.347 1.621 20 30 BDEDLO CC[N@@H+](CCC(=O)N1CCC[C@H]1C)[C@H](C)C#N ZINC000595813070 348353038 /nfs/dbraw/zinc/35/30/38/348353038.db2.gz JWXWYVWBUUIABP-VXGBXAGGSA-N 1 2 237.347 1.621 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)CC1=CCCOC1 ZINC000595746681 348340292 /nfs/dbraw/zinc/34/02/92/348340292.db2.gz AZDTVYHNSFMCSS-UHFFFAOYSA-N 1 2 249.339 1.793 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)CC1=CCCOC1 ZINC000595746681 348340295 /nfs/dbraw/zinc/34/02/95/348340295.db2.gz AZDTVYHNSFMCSS-UHFFFAOYSA-N 1 2 249.339 1.793 20 30 BDEDLO CCN(Cc1cc(OC)cc[nH+]1)[C@@H](C)C#N ZINC000595814374 348342226 /nfs/dbraw/zinc/34/22/26/348342226.db2.gz UUSJBIMYPHIMHV-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCC#N ZINC000595815799 348343338 /nfs/dbraw/zinc/34/33/38/348343338.db2.gz SRSJAYIMYHECHP-LLVKDONJSA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CCC#N ZINC000595815799 348343340 /nfs/dbraw/zinc/34/33/40/348343340.db2.gz SRSJAYIMYHECHP-LLVKDONJSA-N 1 2 208.305 1.934 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)on1 ZINC000595833710 348367298 /nfs/dbraw/zinc/36/72/98/348367298.db2.gz IYGJLMRIOBSTFS-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)on1 ZINC000595833710 348367301 /nfs/dbraw/zinc/36/73/01/348367301.db2.gz IYGJLMRIOBSTFS-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836427 348370042 /nfs/dbraw/zinc/37/00/42/348370042.db2.gz ZKBPGUAQOKEHLQ-AAEUAGOBSA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836427 348370044 /nfs/dbraw/zinc/37/00/44/348370044.db2.gz ZKBPGUAQOKEHLQ-AAEUAGOBSA-N 1 2 237.347 1.383 20 30 BDEDLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840990 348375415 /nfs/dbraw/zinc/37/54/15/348375415.db2.gz SQWYUGYVMLSIRQ-AAEUAGOBSA-N 1 2 238.331 1.954 20 30 BDEDLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840990 348375417 /nfs/dbraw/zinc/37/54/17/348375417.db2.gz SQWYUGYVMLSIRQ-AAEUAGOBSA-N 1 2 238.331 1.954 20 30 BDEDLO COc1ncccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843521 348380773 /nfs/dbraw/zinc/38/07/73/348380773.db2.gz KSSKNPFOYDONAU-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1ncccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595843521 348380777 /nfs/dbraw/zinc/38/07/77/348380777.db2.gz KSSKNPFOYDONAU-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO N#CCCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595843810 348381357 /nfs/dbraw/zinc/38/13/57/348381357.db2.gz CORDJCDDEDYZMK-UHFFFAOYSA-N 1 2 232.283 1.890 20 30 BDEDLO N#CCCC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595843810 348381361 /nfs/dbraw/zinc/38/13/61/348381361.db2.gz CORDJCDDEDYZMK-UHFFFAOYSA-N 1 2 232.283 1.890 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000027882830 348400938 /nfs/dbraw/zinc/40/09/38/348400938.db2.gz VPBPWWLELSRWDX-GFCCVEGCSA-N 1 2 249.314 1.422 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000027882830 348400939 /nfs/dbraw/zinc/40/09/39/348400939.db2.gz VPBPWWLELSRWDX-GFCCVEGCSA-N 1 2 249.314 1.422 20 30 BDEDLO C[C@@H](O)[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000596066484 348436820 /nfs/dbraw/zinc/43/68/20/348436820.db2.gz DUNWHSJRJPIKGG-ZYHUDNBSSA-N 1 2 204.273 1.612 20 30 BDEDLO Cc1ccc[nH+]c1CCNc1c(C#N)cnn1C ZINC000596255482 348475943 /nfs/dbraw/zinc/47/59/43/348475943.db2.gz RWDBCWPLAUJFFC-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO Cc1nsc(N2CCc3[nH+]c[nH]c3C2)c1C#N ZINC000596236334 348482150 /nfs/dbraw/zinc/48/21/50/348482150.db2.gz GPYMZBIPULGNII-UHFFFAOYSA-N 1 2 245.311 1.609 20 30 BDEDLO Cc1nc(N2CCC[C@@H](CC#N)C2)cc[nH+]1 ZINC000596330837 348510014 /nfs/dbraw/zinc/51/00/14/348510014.db2.gz OFXBVOZLIQTHCM-NSHDSACASA-N 1 2 216.288 1.915 20 30 BDEDLO C[C@@H](Nc1cccc(C#N)n1)c1[nH+]ccn1C ZINC000596543427 348584257 /nfs/dbraw/zinc/58/42/57/348584257.db2.gz URQZIJXDQBSOTG-SECBINFHSA-N 1 2 227.271 1.860 20 30 BDEDLO Cc1cc(N2C[C@@H](C)[C@](C)(CO)C2)c(C#N)c[nH+]1 ZINC000596545722 348584963 /nfs/dbraw/zinc/58/49/63/348584963.db2.gz URHGJRYEKOQDEB-YGRLFVJLSA-N 1 2 245.326 1.716 20 30 BDEDLO Cc1cc(NC[C@H](CO)CC2CC2)c(C#N)c[nH+]1 ZINC000596491514 348560494 /nfs/dbraw/zinc/56/04/94/348560494.db2.gz GPBJHMRVEPTFQS-GFCCVEGCSA-N 1 2 245.326 1.504 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597144686 348670252 /nfs/dbraw/zinc/67/02/52/348670252.db2.gz MDISSQHBLZAHBF-UWVGGRQHSA-N 1 2 246.314 1.275 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597144686 348670254 /nfs/dbraw/zinc/67/02/54/348670254.db2.gz MDISSQHBLZAHBF-UWVGGRQHSA-N 1 2 246.314 1.275 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597042581 348649365 /nfs/dbraw/zinc/64/93/65/348649365.db2.gz UKXYOXYWPLMHCE-VHSXEESVSA-N 1 2 246.314 1.323 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597042581 348649366 /nfs/dbraw/zinc/64/93/66/348649366.db2.gz UKXYOXYWPLMHCE-VHSXEESVSA-N 1 2 246.314 1.323 20 30 BDEDLO C[C@H](C#N)C[N@H+](Cc1cnn2c1CCC2)C1CC1 ZINC000597026523 348651556 /nfs/dbraw/zinc/65/15/56/348651556.db2.gz NVLJUYLGFAUTGW-LLVKDONJSA-N 1 2 244.342 1.953 20 30 BDEDLO C[C@H](C#N)C[N@@H+](Cc1cnn2c1CCC2)C1CC1 ZINC000597026523 348651558 /nfs/dbraw/zinc/65/15/58/348651558.db2.gz NVLJUYLGFAUTGW-LLVKDONJSA-N 1 2 244.342 1.953 20 30 BDEDLO Cc1noc(C)c1C[NH+]1CC(CC#N)C1 ZINC000597193897 348671412 /nfs/dbraw/zinc/67/14/12/348671412.db2.gz SGGVZEMEQIMWEZ-UHFFFAOYSA-N 1 2 205.261 1.637 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000597120769 348663767 /nfs/dbraw/zinc/66/37/67/348663767.db2.gz JZJNNYAFWWNATR-UHFFFAOYSA-N 1 2 216.288 1.223 20 30 BDEDLO CC[N@@H+](Cc1cnn2c1CCC2)C[C@@H](C)C#N ZINC000596991720 348644268 /nfs/dbraw/zinc/64/42/68/348644268.db2.gz NYNAVQFMYISPFD-NSHDSACASA-N 1 2 232.331 1.811 20 30 BDEDLO CC[N@H+](Cc1cnn2c1CCC2)C[C@@H](C)C#N ZINC000596991720 348644270 /nfs/dbraw/zinc/64/42/70/348644270.db2.gz NYNAVQFMYISPFD-NSHDSACASA-N 1 2 232.331 1.811 20 30 BDEDLO C[C@H](CC#N)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000597402908 348734282 /nfs/dbraw/zinc/73/42/82/348734282.db2.gz IRRNKPBYLGMCTJ-LLVKDONJSA-N 1 2 234.303 1.281 20 30 BDEDLO COC(=O)c1oc(C[NH+]2CC(CC#N)C2)cc1C ZINC000597202892 348676991 /nfs/dbraw/zinc/67/69/91/348676991.db2.gz DWBLWWGXYVUHAT-UHFFFAOYSA-N 1 2 248.282 1.720 20 30 BDEDLO N#CCC1C[NH+](Cc2ccncc2F)C1 ZINC000597203266 348677114 /nfs/dbraw/zinc/67/71/14/348677114.db2.gz IXEALTHESOQARO-UHFFFAOYSA-N 1 2 205.236 1.566 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000597434364 348736047 /nfs/dbraw/zinc/73/60/47/348736047.db2.gz AVFAXYIZZPGULH-WDEREUQCSA-N 1 2 246.314 1.286 20 30 BDEDLO CN1CC[N@H+](Cc2cc(C#N)cs2)CCC1=O ZINC000597213590 348680516 /nfs/dbraw/zinc/68/05/16/348680516.db2.gz FFSYKOJZTUWVJD-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO CN1CC[N@@H+](Cc2cc(C#N)cs2)CCC1=O ZINC000597213590 348680518 /nfs/dbraw/zinc/68/05/18/348680518.db2.gz FFSYKOJZTUWVJD-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)CC#N)CC2 ZINC000597491343 348750351 /nfs/dbraw/zinc/75/03/51/348750351.db2.gz DVFMURIXFXNAMO-SECBINFHSA-N 1 2 232.287 1.084 20 30 BDEDLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)C#N ZINC000598348006 348935085 /nfs/dbraw/zinc/93/50/85/348935085.db2.gz CEZWNYZOCTXCHG-QWRGUYRKSA-N 1 2 234.303 1.595 20 30 BDEDLO CCN(C(=O)CCCn1cc[nH+]c1)[C@H](C)C#N ZINC000598356290 348940275 /nfs/dbraw/zinc/94/02/75/348940275.db2.gz NHTVDDHTUVLRSM-LLVKDONJSA-N 1 2 234.303 1.424 20 30 BDEDLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H](C)C#N ZINC000598358761 348943450 /nfs/dbraw/zinc/94/34/50/348943450.db2.gz QVZBVVBSJNEHKX-WDEREUQCSA-N 1 2 246.314 1.206 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000054181406 348896411 /nfs/dbraw/zinc/89/64/11/348896411.db2.gz HWTVGHQNTMKGKN-JTQLQIEISA-N 1 2 220.320 1.887 20 30 BDEDLO C[C@@H](NC(=O)C1(C#N)CC(C)C1)c1[nH+]ccn1C ZINC000598464305 348977932 /nfs/dbraw/zinc/97/79/32/348977932.db2.gz HHWBGKPDTSITOZ-RUETXSTFSA-N 1 2 246.314 1.537 20 30 BDEDLO C[C@H](NC(=O)CCCCC#N)c1[nH+]ccn1C ZINC000598465775 348978047 /nfs/dbraw/zinc/97/80/47/348978047.db2.gz UMUWEGVDQMCEOU-JTQLQIEISA-N 1 2 234.303 1.681 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](C)C#N ZINC000598363913 348949825 /nfs/dbraw/zinc/94/98/25/348949825.db2.gz WMUISFIKLYXSBT-QWRGUYRKSA-N 1 2 246.314 1.206 20 30 BDEDLO C[C@]1(C#N)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000598419098 348972599 /nfs/dbraw/zinc/97/25/99/348972599.db2.gz YIEYGSQTPQHPNW-GFCCVEGCSA-N 1 2 232.287 1.104 20 30 BDEDLO Cc1cc(N2CC[C@@H](C)[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000598637814 349014794 /nfs/dbraw/zinc/01/47/94/349014794.db2.gz NBTOUGMAMXCTAP-ZWNOBZJWSA-N 1 2 245.326 1.716 20 30 BDEDLO CC[N@@H+](Cc1nccnc1C)C[C@H](C)C#N ZINC000598678261 349021195 /nfs/dbraw/zinc/02/11/95/349021195.db2.gz DPELAXKSESHYII-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1nccnc1C)C[C@H](C)C#N ZINC000598678261 349021198 /nfs/dbraw/zinc/02/11/98/349021198.db2.gz DPELAXKSESHYII-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO CCOC(=O)C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599277655 349138620 /nfs/dbraw/zinc/13/86/20/349138620.db2.gz QPHJIXXPWNRQQG-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599277655 349138621 /nfs/dbraw/zinc/13/86/21/349138621.db2.gz QPHJIXXPWNRQQG-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1C#N ZINC000599309319 349144397 /nfs/dbraw/zinc/14/43/97/349144397.db2.gz WBXRRFCKHUQGKI-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1C#N ZINC000599309319 349144398 /nfs/dbraw/zinc/14/43/98/349144398.db2.gz WBXRRFCKHUQGKI-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO N#Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)nc1 ZINC000599422382 349183346 /nfs/dbraw/zinc/18/33/46/349183346.db2.gz OIMCUZSRVQKPNS-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CC1(O)CCC1 ZINC000599429794 349187452 /nfs/dbraw/zinc/18/74/52/349187452.db2.gz SPLDEFSDOGVAJF-GFCCVEGCSA-N 1 2 238.331 1.054 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](O)CC1(O)CCC1 ZINC000599429794 349187456 /nfs/dbraw/zinc/18/74/56/349187456.db2.gz SPLDEFSDOGVAJF-GFCCVEGCSA-N 1 2 238.331 1.054 20 30 BDEDLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCC[C@H]1C#N ZINC000601815237 349349687 /nfs/dbraw/zinc/34/96/87/349349687.db2.gz JNFDTJAHLZAUFZ-QWRGUYRKSA-N 1 2 246.314 1.493 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601815820 349350601 /nfs/dbraw/zinc/35/06/01/349350601.db2.gz KHDVMYNUQOZNKD-PWSUYJOCSA-N 1 2 246.314 1.411 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(C)C[C@@H](C)C#N)[nH+]1 ZINC000602083615 349431798 /nfs/dbraw/zinc/43/17/98/349431798.db2.gz NWKZRHWXRCVODF-VIFPVBQESA-N 1 2 234.303 1.133 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000334890537 350196581 /nfs/dbraw/zinc/19/65/81/350196581.db2.gz KFXVGANKVUKPCR-NSHDSACASA-N 1 2 212.268 1.087 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000334890537 350196584 /nfs/dbraw/zinc/19/65/84/350196584.db2.gz KFXVGANKVUKPCR-NSHDSACASA-N 1 2 212.268 1.087 20 30 BDEDLO C#CCOc1ccc(C[NH2+][C@](C)(CC)CO)cc1 ZINC000152160192 191068822 /nfs/dbraw/zinc/06/88/22/191068822.db2.gz AGZLWCIKIMVODI-OAHLLOKOSA-N 1 2 247.338 1.949 20 30 BDEDLO Cc1nc(NCc2c[nH+]cn2C)ccc1C#N ZINC000291852937 350402466 /nfs/dbraw/zinc/40/24/66/350402466.db2.gz HJRCMKMIRZRANO-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO CC(C)N1CC[C@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000336686507 350443421 /nfs/dbraw/zinc/44/34/21/350443421.db2.gz WJSLPUZILLJCJR-MNOVXSKESA-N 1 2 223.320 1.087 20 30 BDEDLO CC(C)N1CC[C@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000336686507 350443425 /nfs/dbraw/zinc/44/34/25/350443425.db2.gz WJSLPUZILLJCJR-MNOVXSKESA-N 1 2 223.320 1.087 20 30 BDEDLO C[C@@H](C#N)C[N@H+](Cc1cnn(C)c1)C1CC1 ZINC000336710052 350462285 /nfs/dbraw/zinc/46/22/85/350462285.db2.gz YTWLHCQRVLFRDA-JTQLQIEISA-N 1 2 218.304 1.544 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](Cc1cnn(C)c1)C1CC1 ZINC000336710052 350462292 /nfs/dbraw/zinc/46/22/92/350462292.db2.gz YTWLHCQRVLFRDA-JTQLQIEISA-N 1 2 218.304 1.544 20 30 BDEDLO N#CC[N@H+](CCC1CCOCC1)C1CC1 ZINC000336739455 350494210 /nfs/dbraw/zinc/49/42/10/350494210.db2.gz SMXYOBFUJPSDOA-UHFFFAOYSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CC[N@@H+](CCC1CCOCC1)C1CC1 ZINC000336739455 350494214 /nfs/dbraw/zinc/49/42/14/350494214.db2.gz SMXYOBFUJPSDOA-UHFFFAOYSA-N 1 2 208.305 1.791 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000304220801 350754550 /nfs/dbraw/zinc/75/45/50/350754550.db2.gz MEPXEXGNOAFWFJ-CYBMUJFWSA-N 1 2 231.295 1.772 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000304220801 350754553 /nfs/dbraw/zinc/75/45/53/350754553.db2.gz MEPXEXGNOAFWFJ-CYBMUJFWSA-N 1 2 231.295 1.772 20 30 BDEDLO Cn1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000397630982 350954401 /nfs/dbraw/zinc/95/44/01/350954401.db2.gz UOCKCTRNDVEUMM-LLVKDONJSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1ccc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000397630982 350954404 /nfs/dbraw/zinc/95/44/04/350954404.db2.gz UOCKCTRNDVEUMM-LLVKDONJSA-N 1 2 218.304 1.546 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626383083 351018947 /nfs/dbraw/zinc/01/89/47/351018947.db2.gz CSRCPAYNWLGMPF-GFCCVEGCSA-N 1 2 247.342 1.788 20 30 BDEDLO Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000336722712 351166072 /nfs/dbraw/zinc/16/60/72/351166072.db2.gz ASXMEMNNDBLZOZ-HGNGGELXSA-N 1 2 220.276 1.721 20 30 BDEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)nc1 ZINC000271819497 351439261 /nfs/dbraw/zinc/43/92/61/351439261.db2.gz OVQZSFDWMUSICD-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)nc1 ZINC000271819497 351439262 /nfs/dbraw/zinc/43/92/62/351439262.db2.gz OVQZSFDWMUSICD-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO Cn1cccc1C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272569158 351485408 /nfs/dbraw/zinc/48/54/08/351485408.db2.gz MURRRTPSMZDYLQ-UHFFFAOYSA-N 1 2 245.326 1.833 20 30 BDEDLO Cc1nonc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272650248 351489599 /nfs/dbraw/zinc/48/95/99/351489599.db2.gz ZDRLFNWSSZQKIG-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000276633962 351639637 /nfs/dbraw/zinc/63/96/37/351639637.db2.gz TVOCHLSUCDWURB-ONEGZZNKSA-N 1 2 230.271 1.375 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276774635 351648323 /nfs/dbraw/zinc/64/83/23/351648323.db2.gz PNCKUEUPLOVTND-JTQLQIEISA-N 1 2 216.288 1.488 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276774635 351648326 /nfs/dbraw/zinc/64/83/26/351648326.db2.gz PNCKUEUPLOVTND-JTQLQIEISA-N 1 2 216.288 1.488 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613305628 363087010 /nfs/dbraw/zinc/08/70/10/363087010.db2.gz VMWHRAIYVJUVGU-JTQLQIEISA-N 1 2 233.315 1.549 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613305628 363087012 /nfs/dbraw/zinc/08/70/12/363087012.db2.gz VMWHRAIYVJUVGU-JTQLQIEISA-N 1 2 233.315 1.549 20 30 BDEDLO CCc1cc(N)nc(S[C@@H](C)C#N)[nH+]1 ZINC000279027194 351793538 /nfs/dbraw/zinc/79/35/38/351793538.db2.gz CTXINTOYQRGTMF-LURJTMIESA-N 1 2 208.290 1.625 20 30 BDEDLO C[C@H](O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405124328 351854352 /nfs/dbraw/zinc/85/43/52/351854352.db2.gz MXAUCAJSCWODNI-JTQLQIEISA-N 1 2 216.284 1.645 20 30 BDEDLO C[C@H](O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405124328 351854356 /nfs/dbraw/zinc/85/43/56/351854356.db2.gz MXAUCAJSCWODNI-JTQLQIEISA-N 1 2 216.284 1.645 20 30 BDEDLO CC1(C#N)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283120225 351960351 /nfs/dbraw/zinc/96/03/51/351960351.db2.gz MVOCVCIJBZBOHE-NSCUHMNNSA-N 1 2 244.298 1.575 20 30 BDEDLO Cc1ncc(CO[NH+]=C(N)[C@H]2CCCO2)s1 ZINC000284492359 351998925 /nfs/dbraw/zinc/99/89/25/351998925.db2.gz SLRFMCQKZIILAG-SECBINFHSA-N 1 2 241.316 1.419 20 30 BDEDLO Cc1cnn([C@@H]2CC[N@H+](CCC#N)C2)c1 ZINC000289756441 352197192 /nfs/dbraw/zinc/19/71/92/352197192.db2.gz FRZJVMKLRJMHCM-LLVKDONJSA-N 1 2 204.277 1.352 20 30 BDEDLO Cc1cnn([C@@H]2CC[N@@H+](CCC#N)C2)c1 ZINC000289756441 352197193 /nfs/dbraw/zinc/19/71/93/352197193.db2.gz FRZJVMKLRJMHCM-LLVKDONJSA-N 1 2 204.277 1.352 20 30 BDEDLO C=CCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000288000320 352138338 /nfs/dbraw/zinc/13/83/38/352138338.db2.gz KPEOMNBMMWFHGS-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411164395 191166708 /nfs/dbraw/zinc/16/67/08/191166708.db2.gz MHLPOMFSCSUYRX-VIFPVBQESA-N 1 2 206.293 1.848 20 30 BDEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ncccn1 ZINC000411166864 191166732 /nfs/dbraw/zinc/16/67/32/191166732.db2.gz VEHDYKJPPONECM-NSHDSACASA-N 1 2 246.314 1.478 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1cccs1 ZINC000300942730 363177190 /nfs/dbraw/zinc/17/71/90/363177190.db2.gz DSWRGYQUGFRGTM-LLVKDONJSA-N 1 2 239.340 1.950 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1cccs1 ZINC000300942730 363177191 /nfs/dbraw/zinc/17/71/91/363177191.db2.gz DSWRGYQUGFRGTM-LLVKDONJSA-N 1 2 239.340 1.950 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CCCCO1 ZINC000300941903 363177208 /nfs/dbraw/zinc/17/72/08/363177208.db2.gz DRLIETQRFGGSTL-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000300941903 363177209 /nfs/dbraw/zinc/17/72/09/363177209.db2.gz DRLIETQRFGGSTL-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCCC(=O)OC ZINC000292130421 352304406 /nfs/dbraw/zinc/30/44/06/352304406.db2.gz IRRKOAOPPJTPFW-UHFFFAOYSA-N 1 2 210.277 1.341 20 30 BDEDLO C=CC[N@H+](CCC#N)CCCC(=O)OC ZINC000292130421 352304409 /nfs/dbraw/zinc/30/44/09/352304409.db2.gz IRRKOAOPPJTPFW-UHFFFAOYSA-N 1 2 210.277 1.341 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)NC(C)C ZINC000292162501 352305154 /nfs/dbraw/zinc/30/51/54/352305154.db2.gz LDDCYEMHMBPRFA-UHFFFAOYSA-N 1 2 223.320 1.303 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)NC(C)C ZINC000292162501 352305158 /nfs/dbraw/zinc/30/51/58/352305158.db2.gz LDDCYEMHMBPRFA-UHFFFAOYSA-N 1 2 223.320 1.303 20 30 BDEDLO C=CC[N@@H+](CCC#N)CC1(CC(=O)OC)CC1 ZINC000292164376 352305339 /nfs/dbraw/zinc/30/53/39/352305339.db2.gz LGZHKIBWPZCJTP-UHFFFAOYSA-N 1 2 236.315 1.731 20 30 BDEDLO C=CC[N@H+](CCC#N)CC1(CC(=O)OC)CC1 ZINC000292164376 352305341 /nfs/dbraw/zinc/30/53/41/352305341.db2.gz LGZHKIBWPZCJTP-UHFFFAOYSA-N 1 2 236.315 1.731 20 30 BDEDLO C=CCN(CCC#N)Cc1c[nH+]cn1C ZINC000292161062 352305475 /nfs/dbraw/zinc/30/54/75/352305475.db2.gz LACPJDOMOHWIBZ-UHFFFAOYSA-N 1 2 204.277 1.322 20 30 BDEDLO CN(C)C(=O)C[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000411464472 191187886 /nfs/dbraw/zinc/18/78/86/191187886.db2.gz YFFFOGKBJXUYRL-ZDUSSCGKSA-N 1 2 245.326 1.709 20 30 BDEDLO CCc1ccc([C@@H](CO)[NH2+]CCC#N)cc1 ZINC000411510123 191190608 /nfs/dbraw/zinc/19/06/08/191190608.db2.gz NJUBKKSKNCDHTJ-CYBMUJFWSA-N 1 2 218.300 1.786 20 30 BDEDLO C=CCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)o1 ZINC000411615950 191197950 /nfs/dbraw/zinc/19/79/50/191197950.db2.gz IVTYEFSWQVQHES-UHFFFAOYSA-N 1 2 243.328 1.691 20 30 BDEDLO C=CCC[N@H+](C)Cc1ccc(S(C)(=O)=O)o1 ZINC000411615950 191197951 /nfs/dbraw/zinc/19/79/51/191197951.db2.gz IVTYEFSWQVQHES-UHFFFAOYSA-N 1 2 243.328 1.691 20 30 BDEDLO C[C@H](CCC#N)[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000411616928 191198242 /nfs/dbraw/zinc/19/82/42/191198242.db2.gz FWSGLNASJCVMON-VWYCJHECSA-N 1 2 228.361 1.520 20 30 BDEDLO CC(C)CN1CC[N@@H+]([C@@H](C)CCC#N)CC1=O ZINC000411564055 191194575 /nfs/dbraw/zinc/19/45/75/191194575.db2.gz DQEFBPPOYRHVAG-LBPRGKRZSA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)CN1CC[N@H+]([C@@H](C)CCC#N)CC1=O ZINC000411564055 191194578 /nfs/dbraw/zinc/19/45/78/191194578.db2.gz DQEFBPPOYRHVAG-LBPRGKRZSA-N 1 2 237.347 1.479 20 30 BDEDLO Cn1cc[nH+]c1CNc1ccc(C#N)cc1 ZINC000036896230 180749146 /nfs/dbraw/zinc/74/91/46/180749146.db2.gz NDRRMCDWBKEYHW-UHFFFAOYSA-N 1 2 212.256 1.904 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000151360556 352755085 /nfs/dbraw/zinc/75/50/85/352755085.db2.gz BHAIKYMIIDBWQA-MNOVXSKESA-N 1 2 243.347 1.491 20 30 BDEDLO N#CCN1CC[NH+](Cc2ccccc2F)CC1 ZINC000049822835 187952420 /nfs/dbraw/zinc/95/24/20/187952420.db2.gz FIQZHSPFUSHCNH-UHFFFAOYSA-N 1 2 233.290 1.467 20 30 BDEDLO COc1ccnc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000330833823 353184895 /nfs/dbraw/zinc/18/48/95/353184895.db2.gz KQMSIIPEZLULEA-MFKMUULPSA-N 1 2 231.299 1.872 20 30 BDEDLO Cc1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)nc1C ZINC000331010312 353212181 /nfs/dbraw/zinc/21/21/81/353212181.db2.gz VHLPHPMYMQNISW-UHFFFAOYSA-N 1 2 245.286 1.630 20 30 BDEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cnccn1 ZINC000070025835 353253406 /nfs/dbraw/zinc/25/34/06/353253406.db2.gz UDGSIHIQFJRQTD-AXFHLTTASA-N 1 2 216.288 1.819 20 30 BDEDLO N#CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000070217457 353257071 /nfs/dbraw/zinc/25/70/71/353257071.db2.gz QYHQKRHCMJQWDW-UHFFFAOYSA-N 1 2 243.310 1.861 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000127153919 353262956 /nfs/dbraw/zinc/26/29/56/353262956.db2.gz JXRICMCQYAAZSG-UHFFFAOYSA-N 1 2 207.277 1.362 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000127153919 353262959 /nfs/dbraw/zinc/26/29/59/353262959.db2.gz JXRICMCQYAAZSG-UHFFFAOYSA-N 1 2 207.277 1.362 20 30 BDEDLO N#CCC[NH2+][C@@H]1COCc2ccccc21 ZINC000225981556 363211371 /nfs/dbraw/zinc/21/13/71/363211371.db2.gz GEIITGRRHAZBSB-GFCCVEGCSA-N 1 2 202.257 1.761 20 30 BDEDLO C=CCCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000077538369 353354339 /nfs/dbraw/zinc/35/43/39/353354339.db2.gz KTULZWZZEKAXII-UHFFFAOYSA-N 1 2 236.319 1.491 20 30 BDEDLO Cc1cc(N2CCC[C@@](C)(O)C2)c(C#N)c[nH+]1 ZINC000398962761 353386923 /nfs/dbraw/zinc/38/69/23/353386923.db2.gz OHHVZVYNGVLXFP-CYBMUJFWSA-N 1 2 231.299 1.613 20 30 BDEDLO C#CCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081538261 353409983 /nfs/dbraw/zinc/40/99/83/353409983.db2.gz OLGORMBDNDHXIA-UHFFFAOYSA-N 1 2 244.220 1.136 20 30 BDEDLO C#CCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081538261 353409987 /nfs/dbraw/zinc/40/99/87/353409987.db2.gz OLGORMBDNDHXIA-UHFFFAOYSA-N 1 2 244.220 1.136 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1ncnn1CCF ZINC000281528913 353450427 /nfs/dbraw/zinc/45/04/27/353450427.db2.gz VPWFNCIXAUAQHV-UHFFFAOYSA-N 1 2 226.299 1.646 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1ncnn1CCF ZINC000281528913 353450428 /nfs/dbraw/zinc/45/04/28/353450428.db2.gz VPWFNCIXAUAQHV-UHFFFAOYSA-N 1 2 226.299 1.646 20 30 BDEDLO Cc1cc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(C#N)c[nH+]1 ZINC000398993086 353482515 /nfs/dbraw/zinc/48/25/15/353482515.db2.gz MTTJATBNZLNVOF-ZKYQVNSYSA-N 1 2 243.310 1.469 20 30 BDEDLO C#C[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000282096024 353462675 /nfs/dbraw/zinc/46/26/75/353462675.db2.gz NXMMNFUPHTZRLB-VIFPVBQESA-N 1 2 205.261 1.106 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285685458 353539028 /nfs/dbraw/zinc/53/90/28/353539028.db2.gz OCRPIOVBISHEPV-SNVBAGLBSA-N 1 2 205.261 1.538 20 30 BDEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285685458 353539029 /nfs/dbraw/zinc/53/90/29/353539029.db2.gz OCRPIOVBISHEPV-SNVBAGLBSA-N 1 2 205.261 1.538 20 30 BDEDLO C=C(Br)C[N@@H+](C)C1(CO)CC1 ZINC000285519046 353544755 /nfs/dbraw/zinc/54/47/55/353544755.db2.gz ODASVTLOGUODGE-UHFFFAOYSA-N 1 2 220.110 1.352 20 30 BDEDLO C=C(Br)C[N@H+](C)C1(CO)CC1 ZINC000285519046 353544756 /nfs/dbraw/zinc/54/47/56/353544756.db2.gz ODASVTLOGUODGE-UHFFFAOYSA-N 1 2 220.110 1.352 20 30 BDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccccc1 ZINC000192175131 353546317 /nfs/dbraw/zinc/54/63/17/353546317.db2.gz JQFUJNTWACQCPF-DYVFJYSZSA-N 1 2 249.379 1.737 20 30 BDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccccc1 ZINC000192175131 353546319 /nfs/dbraw/zinc/54/63/19/353546319.db2.gz JQFUJNTWACQCPF-DYVFJYSZSA-N 1 2 249.379 1.737 20 30 BDEDLO C#C[C@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287940150 353593926 /nfs/dbraw/zinc/59/39/26/353593926.db2.gz RCNVEWVCZKSGCJ-VIFPVBQESA-N 1 2 244.285 1.101 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192794750 353569244 /nfs/dbraw/zinc/56/92/44/353569244.db2.gz WLLPPKAVMPDUQK-SECBINFHSA-N 1 2 207.277 1.669 20 30 BDEDLO C=CC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192794750 353569248 /nfs/dbraw/zinc/56/92/48/353569248.db2.gz WLLPPKAVMPDUQK-SECBINFHSA-N 1 2 207.277 1.669 20 30 BDEDLO C=CCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000289364454 353626618 /nfs/dbraw/zinc/62/66/18/353626618.db2.gz ITUBNAVJWLZWMB-NSHDSACASA-N 1 2 242.388 1.458 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000292903928 353728879 /nfs/dbraw/zinc/72/88/79/353728879.db2.gz AOLYELXITSYWSJ-SNVBAGLBSA-N 1 2 235.287 1.265 20 30 BDEDLO C#CCNC(=O)CC[N@@H+](CCC)CC(F)F ZINC000292954046 353730229 /nfs/dbraw/zinc/73/02/29/353730229.db2.gz CGXYIMAEFZFVEI-UHFFFAOYSA-N 1 2 232.274 1.103 20 30 BDEDLO C#CCNC(=O)CC[N@H+](CCC)CC(F)F ZINC000292954046 353730232 /nfs/dbraw/zinc/73/02/32/353730232.db2.gz CGXYIMAEFZFVEI-UHFFFAOYSA-N 1 2 232.274 1.103 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000294453931 353779900 /nfs/dbraw/zinc/77/99/00/353779900.db2.gz BTVKUEKABHUKRO-SNVBAGLBSA-N 1 2 218.256 1.367 20 30 BDEDLO C#CCO[C@@H](C)C(=O)OCc1c[nH+]ccc1OC ZINC000296687205 353830875 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356126535 /nfs/dbraw/zinc/12/65/35/356126535.db2.gz YSMWTMRHYYYEQF-SLEUVZQESA-N 1 2 227.373 1.631 20 30 BDEDLO C=CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000617617554 356194308 /nfs/dbraw/zinc/19/43/08/356194308.db2.gz LFOKTUPNLKFNLU-UHFFFAOYSA-N 1 2 207.277 1.380 20 30 BDEDLO O=C(C[C@@H]1CCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330294227 356200317 /nfs/dbraw/zinc/20/03/17/356200317.db2.gz FDJHIQNWARCRLX-QWRGUYRKSA-N 1 2 249.314 1.724 20 30 BDEDLO C=CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420755104 192258548 /nfs/dbraw/zinc/25/85/48/192258548.db2.gz BNRFOQDTLDXUDG-UHFFFAOYSA-N 1 2 219.288 1.684 20 30 BDEDLO C=C(C)CCc1noc(Cc2c[nH+]cn2C)n1 ZINC000350444384 366279108 /nfs/dbraw/zinc/27/91/08/366279108.db2.gz XZPCRPNVVFROBF-UHFFFAOYSA-N 1 2 232.287 1.903 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421022481 192306613 /nfs/dbraw/zinc/30/66/13/192306613.db2.gz QGPFKSIXJUEUMV-CQSZACIVSA-N 1 2 228.295 1.923 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421022481 192306616 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134203531 /nfs/dbraw/zinc/20/35/31/134203531.db2.gz LSWRLRDZZOEENC-NEPJUHHUSA-N 1 2 243.347 1.755 20 30 BDEDLO COc1cc[nH+]c(CN(C)[C@@H](C)CC#N)c1OC ZINC000188666861 357571388 /nfs/dbraw/zinc/57/13/88/357571388.db2.gz PNETZHOIGQQPCL-JTQLQIEISA-N 1 2 249.314 1.833 20 30 BDEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCCC#N ZINC000361852934 134207736 /nfs/dbraw/zinc/20/77/36/134207736.db2.gz ZPROYJDDQDQSBO-LLVKDONJSA-N 1 2 223.320 1.233 20 30 BDEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCCC#N ZINC000361852934 134207737 /nfs/dbraw/zinc/20/77/37/134207737.db2.gz ZPROYJDDQDQSBO-LLVKDONJSA-N 1 2 223.320 1.233 20 30 BDEDLO C=CC[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000063297902 357620894 /nfs/dbraw/zinc/62/08/94/357620894.db2.gz HKHQWPKZTIUQJN-UHFFFAOYSA-N 1 2 249.270 1.068 20 30 BDEDLO C=CC[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000063297902 357620898 /nfs/dbraw/zinc/62/08/98/357620898.db2.gz HKHQWPKZTIUQJN-UHFFFAOYSA-N 1 2 249.270 1.068 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nccn1C ZINC000189422834 357640346 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/nfs/dbraw/zinc/80/72/15/357807215.db2.gz MBDFTWMXDXLYFU-GRYCIOLGSA-N 1 2 243.347 1.633 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505752 357958018 /nfs/dbraw/zinc/95/80/18/357958018.db2.gz VWRCLKCKGYTUPL-GFCCVEGCSA-N 1 2 247.273 1.212 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505752 357958020 /nfs/dbraw/zinc/95/80/20/357958020.db2.gz VWRCLKCKGYTUPL-GFCCVEGCSA-N 1 2 247.273 1.212 20 30 BDEDLO CC[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000103062298 357967535 /nfs/dbraw/zinc/96/75/35/357967535.db2.gz QNZVVCYJWVESGU-UHFFFAOYSA-N 1 2 249.339 1.397 20 30 BDEDLO N#Cc1cccc(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000610528458 357967642 /nfs/dbraw/zinc/96/76/42/357967642.db2.gz BYJHYSMKFOXUJA-UHFFFAOYSA-N 1 2 240.266 1.140 20 30 BDEDLO N#Cc1cccc(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000610528458 357967645 /nfs/dbraw/zinc/96/76/45/357967645.db2.gz BYJHYSMKFOXUJA-UHFFFAOYSA-N 1 2 240.266 1.140 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000375230498 134238740 /nfs/dbraw/zinc/23/87/40/134238740.db2.gz UWZKLUKGEMVION-VXGBXAGGSA-N 1 2 236.315 1.360 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000375230498 134238741 /nfs/dbraw/zinc/23/87/41/134238741.db2.gz UWZKLUKGEMVION-VXGBXAGGSA-N 1 2 236.315 1.360 20 30 BDEDLO C=CCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377595818 134244495 /nfs/dbraw/zinc/24/44/95/134244495.db2.gz VUJGYOZJBNVNSS-VIFPVBQESA-N 1 2 222.292 1.266 20 30 BDEDLO C=CCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377595818 134244496 /nfs/dbraw/zinc/24/44/96/134244496.db2.gz VUJGYOZJBNVNSS-VIFPVBQESA-N 1 2 222.292 1.266 20 30 BDEDLO Cc1nc(NC2CCN(CC#N)CC2)cc[nH+]1 ZINC000104359703 358223175 /nfs/dbraw/zinc/22/31/75/358223175.db2.gz RCCUWVDANCVRFO-UHFFFAOYSA-N 1 2 231.303 1.185 20 30 BDEDLO Cc1cc(N)nc(SCC2(C#N)CCC2)[nH+]1 ZINC000450721562 202244900 /nfs/dbraw/zinc/24/49/00/202244900.db2.gz XPOGLJKKGHMMIJ-UHFFFAOYSA-N 1 2 234.328 1.984 20 30 BDEDLO CCC[N@@H+](CC#N)CCCC(=O)N(C)C ZINC000045092735 358400610 /nfs/dbraw/zinc/40/06/10/358400610.db2.gz LWFKKFLNQBJADW-UHFFFAOYSA-N 1 2 211.309 1.090 20 30 BDEDLO CCC[N@H+](CC#N)CCCC(=O)N(C)C ZINC000045092735 358400616 /nfs/dbraw/zinc/40/06/16/358400616.db2.gz LWFKKFLNQBJADW-UHFFFAOYSA-N 1 2 211.309 1.090 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000042454395 358524477 /nfs/dbraw/zinc/52/44/77/358524477.db2.gz OPPAMKVRFHZEBP-WDEREUQCSA-N 1 2 225.336 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000042454395 358524481 /nfs/dbraw/zinc/52/44/81/358524481.db2.gz OPPAMKVRFHZEBP-WDEREUQCSA-N 1 2 225.336 1.525 20 30 BDEDLO N#CCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000135557302 358844419 /nfs/dbraw/zinc/84/44/19/358844419.db2.gz YVFKAYXOAHOGAG-ZJUUUORDSA-N 1 2 212.318 1.106 20 30 BDEDLO N#CCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000135557302 358844421 /nfs/dbraw/zinc/84/44/21/358844421.db2.gz YVFKAYXOAHOGAG-ZJUUUORDSA-N 1 2 212.318 1.106 20 30 BDEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC#N ZINC000135590110 358845729 /nfs/dbraw/zinc/84/57/29/358845729.db2.gz GHJGAMQODFTCBM-LLVKDONJSA-N 1 2 218.304 1.643 20 30 BDEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCC#N ZINC000135590110 358845733 /nfs/dbraw/zinc/84/57/33/358845733.db2.gz GHJGAMQODFTCBM-LLVKDONJSA-N 1 2 218.304 1.643 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCCc1[nH]cc[nH+]1 ZINC000139676606 358912150 /nfs/dbraw/zinc/91/21/50/358912150.db2.gz UFYAYWJJLCZDIR-LLVKDONJSA-N 1 2 220.276 1.008 20 30 BDEDLO C=CC[N@@H+](CCCF)[C@H]1CCS(=O)(=O)C1 ZINC000137280024 358894810 /nfs/dbraw/zinc/89/48/10/358894810.db2.gz XKBPOFZNUMKUEK-JTQLQIEISA-N 1 2 235.324 1.021 20 30 BDEDLO C=CC[N@H+](CCCF)[C@H]1CCS(=O)(=O)C1 ZINC000137280024 358894813 /nfs/dbraw/zinc/89/48/13/358894813.db2.gz XKBPOFZNUMKUEK-JTQLQIEISA-N 1 2 235.324 1.021 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccn1 ZINC000611225809 359142630 /nfs/dbraw/zinc/14/26/30/359142630.db2.gz OGSKSZQILQJMDT-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCOC3(CCC3)C2)ccn1 ZINC000611225809 359142633 /nfs/dbraw/zinc/14/26/33/359142633.db2.gz OGSKSZQILQJMDT-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=CCC2)cc1 ZINC000611517241 359386333 /nfs/dbraw/zinc/38/63/33/359386333.db2.gz KTOBAQQPHNRKRT-CYBMUJFWSA-N 1 2 241.294 1.347 20 30 BDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=CCC2)cc1 ZINC000611517241 359386336 /nfs/dbraw/zinc/38/63/36/359386336.db2.gz KTOBAQQPHNRKRT-CYBMUJFWSA-N 1 2 241.294 1.347 20 30 BDEDLO CC#CCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000274111737 359511054 /nfs/dbraw/zinc/51/10/54/359511054.db2.gz WFOUJSMOXMABEV-JTQLQIEISA-N 1 2 237.303 1.622 20 30 BDEDLO CC#CCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000274111737 359511058 /nfs/dbraw/zinc/51/10/58/359511058.db2.gz WFOUJSMOXMABEV-JTQLQIEISA-N 1 2 237.303 1.622 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCc1cccs1)C1CC1 ZINC000274223189 359512380 /nfs/dbraw/zinc/51/23/80/359512380.db2.gz VPHDFTOJTWBZKF-UHFFFAOYSA-N 1 2 248.351 1.462 20 30 BDEDLO C#CC[N@H+](CC(=O)NCc1cccs1)C1CC1 ZINC000274223189 359512384 /nfs/dbraw/zinc/51/23/84/359512384.db2.gz VPHDFTOJTWBZKF-UHFFFAOYSA-N 1 2 248.351 1.462 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612160153 359711058 /nfs/dbraw/zinc/71/10/58/359711058.db2.gz GOIOPKGZJUMYJD-CQSZACIVSA-N 1 2 249.358 1.480 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612160153 359711060 /nfs/dbraw/zinc/71/10/60/359711060.db2.gz GOIOPKGZJUMYJD-CQSZACIVSA-N 1 2 249.358 1.480 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000612166349 359720668 /nfs/dbraw/zinc/72/06/68/359720668.db2.gz VKXHOVCVQJEKFZ-AAEUAGOBSA-N 1 2 235.331 1.281 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000612166349 359720673 /nfs/dbraw/zinc/72/06/73/359720673.db2.gz VKXHOVCVQJEKFZ-AAEUAGOBSA-N 1 2 235.331 1.281 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612264794 359764059 /nfs/dbraw/zinc/76/40/59/359764059.db2.gz RUDLRQUTNSNAJD-IVZWLZJFSA-N 1 2 219.288 1.214 20 30 BDEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC000309113081 491144895 /nfs/dbraw/zinc/14/48/95/491144895.db2.gz KJWMMBNBJJGJNL-NXEZZACHSA-N 1 2 206.293 1.268 20 30 BDEDLO N#CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000613950874 363690883 /nfs/dbraw/zinc/69/08/83/363690883.db2.gz SCNXNZODEOXTDD-UHFFFAOYSA-N 1 2 200.201 1.186 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)OC ZINC000619703521 363694501 /nfs/dbraw/zinc/69/45/01/363694501.db2.gz MSYZQDHWNXNIDZ-YFKTTZPYSA-N 1 2 239.315 1.261 20 30 BDEDLO CC[N@@H+](Cc1c[nH]nc1C)C[C@@H](C)C#N ZINC000091984193 360141381 /nfs/dbraw/zinc/14/13/81/360141381.db2.gz DTWZEJCBGSCKHW-VIFPVBQESA-N 1 2 206.293 1.700 20 30 BDEDLO CC[N@H+](Cc1c[nH]nc1C)C[C@@H](C)C#N ZINC000091984193 360141383 /nfs/dbraw/zinc/14/13/83/360141383.db2.gz DTWZEJCBGSCKHW-VIFPVBQESA-N 1 2 206.293 1.700 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000086573709 325617480 /nfs/dbraw/zinc/61/74/80/325617480.db2.gz INGLCEVVEXTKIU-ZETCQYMHSA-N 1 2 223.301 1.096 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOCC1CC1 ZINC000428836934 201045048 /nfs/dbraw/zinc/04/50/48/201045048.db2.gz CVUAFSMPJOJSIL-UHFFFAOYSA-N 1 2 208.305 1.815 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOCC1CC1 ZINC000428836934 201045051 /nfs/dbraw/zinc/04/50/51/201045051.db2.gz CVUAFSMPJOJSIL-UHFFFAOYSA-N 1 2 208.305 1.815 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)N1CCC[C@H]1C ZINC000428862536 201045652 /nfs/dbraw/zinc/04/56/52/201045652.db2.gz VEHMBSLCRLXZPA-CYBMUJFWSA-N 1 2 249.358 1.789 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)N1CCC[C@H]1C ZINC000428862536 201045655 /nfs/dbraw/zinc/04/56/55/201045655.db2.gz VEHMBSLCRLXZPA-CYBMUJFWSA-N 1 2 249.358 1.789 20 30 BDEDLO C[N@H+](C[C@H](O)C(F)(F)F)CC(C)(C)C#N ZINC000433308454 201180513 /nfs/dbraw/zinc/18/05/13/201180513.db2.gz YEEUEYQAPSVQNK-ZETCQYMHSA-N 1 2 224.226 1.391 20 30 BDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)CC(C)(C)C#N ZINC000433308454 201180515 /nfs/dbraw/zinc/18/05/15/201180515.db2.gz YEEUEYQAPSVQNK-ZETCQYMHSA-N 1 2 224.226 1.391 20 30 BDEDLO CC(C)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433321276 201182208 /nfs/dbraw/zinc/18/22/08/201182208.db2.gz UZIFNNBDORDTOF-UHFFFAOYSA-N 1 2 225.336 1.335 20 30 BDEDLO CC(C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433321276 201182212 /nfs/dbraw/zinc/18/22/12/201182212.db2.gz UZIFNNBDORDTOF-UHFFFAOYSA-N 1 2 225.336 1.335 20 30 BDEDLO COc1ccc(C[N@H+](C)CC(C)(C)C#N)nn1 ZINC000433298490 201177299 /nfs/dbraw/zinc/17/72/99/201177299.db2.gz ZOTRSLWGWODMRT-UHFFFAOYSA-N 1 2 234.303 1.467 20 30 BDEDLO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)nn1 ZINC000433298490 201177301 /nfs/dbraw/zinc/17/73/01/201177301.db2.gz ZOTRSLWGWODMRT-UHFFFAOYSA-N 1 2 234.303 1.467 20 30 BDEDLO C=C(C)c1ccc([C@@H]2[NH2+]CCNC2=O)cc1 ZINC000629730023 361668988 /nfs/dbraw/zinc/66/89/88/361668988.db2.gz OCALDDUMLMVFGC-LBPRGKRZSA-N 1 2 216.284 1.480 20 30 BDEDLO C=C(C)c1ccc(N2CCC[C@@H](C(N)=O)C2)[nH+]c1 ZINC000629729903 361668160 /nfs/dbraw/zinc/66/81/60/361668160.db2.gz JHZRXVMDKQQMKZ-GFCCVEGCSA-N 1 2 245.326 1.816 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614396297 363819337 /nfs/dbraw/zinc/81/93/37/363819337.db2.gz KNKSQKZUMJJXQA-IJLUTSLNSA-N 1 2 247.342 1.995 20 30 BDEDLO Cn1ccc(CNc2cc(CC#N)cc[nH+]2)n1 ZINC000547340101 364391155 /nfs/dbraw/zinc/39/11/55/364391155.db2.gz VJCGSSIRBKXLAH-UHFFFAOYSA-N 1 2 227.271 1.493 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000181648291 366836075 /nfs/dbraw/zinc/83/60/75/366836075.db2.gz FDHFVGWSSSWCKK-UHFFFAOYSA-N 1 2 226.239 1.842 20 30 BDEDLO N#CCC[N@@H+](C[C@H](O)C(F)(F)F)CC1CC1 ZINC000181730033 366842829 /nfs/dbraw/zinc/84/28/29/366842829.db2.gz VCSXOYMSYVALKF-VIFPVBQESA-N 1 2 236.237 1.535 20 30 BDEDLO N#CCC[N@H+](C[C@H](O)C(F)(F)F)CC1CC1 ZINC000181730033 366842836 /nfs/dbraw/zinc/84/28/36/366842836.db2.gz VCSXOYMSYVALKF-VIFPVBQESA-N 1 2 236.237 1.535 20 30 BDEDLO Cc1cc(NCC[C@H](O)C(F)F)c(C#N)c[nH+]1 ZINC000601222734 364623475 /nfs/dbraw/zinc/62/34/75/364623475.db2.gz OOOSZDMUIHADKU-JTQLQIEISA-N 1 2 241.241 1.112 20 30 BDEDLO CC#CCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573153636 364786808 /nfs/dbraw/zinc/78/68/08/364786808.db2.gz TUDLZKKRHQKBIV-SNVBAGLBSA-N 1 2 219.288 1.781 20 30 BDEDLO C[C@H](c1nnnn1C)[NH+]1CCC(CCC#N)CC1 ZINC000573681403 364890911 /nfs/dbraw/zinc/89/09/11/364890911.db2.gz ZHLKLYAFUNILTE-SNVBAGLBSA-N 1 2 248.334 1.287 20 30 BDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000573776264 364913605 /nfs/dbraw/zinc/91/36/05/364913605.db2.gz OYQODQSZVDRXRZ-LBPRGKRZSA-N 1 2 235.287 1.162 20 30 BDEDLO C=CCCCCNC(=O)Cc1c[nH+]cn1C ZINC000579630473 366917657 /nfs/dbraw/zinc/91/76/57/366917657.db2.gz WFONSCASAXPZCS-UHFFFAOYSA-N 1 2 221.304 1.435 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565050839 325851794 /nfs/dbraw/zinc/85/17/94/325851794.db2.gz HYDAGMDODQFWAV-YPMHNXCESA-N 1 2 237.347 1.549 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000068610208 370820486 /nfs/dbraw/zinc/82/04/86/370820486.db2.gz VTVRYQDANQLEFT-GFCCVEGCSA-N 1 2 245.326 1.537 20 30 BDEDLO C[C@H](c1nccc(N)n1)[NH+]1CCC(C#N)CC1 ZINC000581080521 367257319 /nfs/dbraw/zinc/25/73/19/367257319.db2.gz VANOVGRYIDSDEC-SECBINFHSA-N 1 2 231.303 1.186 20 30 BDEDLO COc1c(O)cccc1C[NH2+]C[C@H](C)C#N ZINC000381580846 367431820 /nfs/dbraw/zinc/43/18/20/367431820.db2.gz FIYGWSLYPVMTIC-SECBINFHSA-N 1 2 220.272 1.650 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)C1(C#N)CCCC1 ZINC000385234407 367812320 /nfs/dbraw/zinc/81/23/20/367812320.db2.gz OQVSRRDWLVFLCN-UHFFFAOYSA-N 1 2 246.314 1.603 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000064796022 368614352 /nfs/dbraw/zinc/61/43/52/368614352.db2.gz HHBONKJZQOLBRS-MFKMUULPSA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000064796022 368614355 /nfs/dbraw/zinc/61/43/55/368614355.db2.gz HHBONKJZQOLBRS-MFKMUULPSA-N 1 2 236.290 1.951 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068325470 368722885 /nfs/dbraw/zinc/72/28/85/368722885.db2.gz UJXMFORTDRFMGK-CYBMUJFWSA-N 1 2 242.282 1.756 20 30 BDEDLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000259634329 370926886 /nfs/dbraw/zinc/92/68/86/370926886.db2.gz AQDJZXQCZFSBOT-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000259634329 370926888 /nfs/dbraw/zinc/92/68/88/370926888.db2.gz AQDJZXQCZFSBOT-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO CCn1cc(C[N@H+](C)C[C@@H](C#N)CCC#N)cn1 ZINC000073002654 368789744 /nfs/dbraw/zinc/78/97/44/368789744.db2.gz SDZPVSSWMQSRMH-GFCCVEGCSA-N 1 2 245.330 1.778 20 30 BDEDLO CCn1cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)cn1 ZINC000073002654 368789746 /nfs/dbraw/zinc/78/97/46/368789746.db2.gz SDZPVSSWMQSRMH-GFCCVEGCSA-N 1 2 245.330 1.778 20 30 BDEDLO C=C(CC)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616114710 368960221 /nfs/dbraw/zinc/96/02/21/368960221.db2.gz CEFSQWKNUWXYMR-JTQLQIEISA-N 1 2 233.315 1.597 20 30 BDEDLO C=C(CC)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616114710 368960226 /nfs/dbraw/zinc/96/02/26/368960226.db2.gz CEFSQWKNUWXYMR-JTQLQIEISA-N 1 2 233.315 1.597 20 30 BDEDLO COc1cc(C)nc(C[NH2+]C[C@@H](C)C#N)c1 ZINC000309867791 326173205 /nfs/dbraw/zinc/17/32/05/326173205.db2.gz PIMJXOMAGONQJR-VIFPVBQESA-N 1 2 219.288 1.648 20 30 BDEDLO COc1cc(C)[nH+]c(CNC[C@@H](C)C#N)c1 ZINC000309867791 326173206 /nfs/dbraw/zinc/17/32/06/326173206.db2.gz PIMJXOMAGONQJR-VIFPVBQESA-N 1 2 219.288 1.648 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](C[C@H]2CCSC2)C1 ZINC000618820838 369221748 /nfs/dbraw/zinc/22/17/48/369221748.db2.gz JEXJWWWHZKRTJT-ZJUUUORDSA-N 1 2 214.309 1.677 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000618820838 369221751 /nfs/dbraw/zinc/22/17/51/369221751.db2.gz JEXJWWWHZKRTJT-ZJUUUORDSA-N 1 2 214.309 1.677 20 30 BDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](O)C1 ZINC000459337157 203260576 /nfs/dbraw/zinc/26/05/76/203260576.db2.gz KBBMKNJYGYESQH-JTQLQIEISA-N 1 2 247.254 1.033 20 30 BDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](O)C1 ZINC000459337157 203260580 /nfs/dbraw/zinc/26/05/80/203260580.db2.gz KBBMKNJYGYESQH-JTQLQIEISA-N 1 2 247.254 1.033 20 30 BDEDLO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)nc1 ZINC000459471467 203287052 /nfs/dbraw/zinc/28/70/52/203287052.db2.gz VQBRSQLCSZJMDX-GXFFZTMASA-N 1 2 231.299 1.872 20 30 BDEDLO CC1(C)C[N@H+](Cc2nc(C#N)cs2)C[C@H]1O ZINC000356398723 369361392 /nfs/dbraw/zinc/36/13/92/369361392.db2.gz BFFNLUWNGBTQNJ-SECBINFHSA-N 1 2 237.328 1.217 20 30 BDEDLO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)C[C@H]1O ZINC000356398723 369361393 /nfs/dbraw/zinc/36/13/93/369361393.db2.gz BFFNLUWNGBTQNJ-SECBINFHSA-N 1 2 237.328 1.217 20 30 BDEDLO C=C(C)CC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459557081 203299958 /nfs/dbraw/zinc/29/99/58/203299958.db2.gz LBYAOAKTYWGFIQ-LBPRGKRZSA-N 1 2 229.320 1.510 20 30 BDEDLO Cn1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)nn1 ZINC000404141736 369421188 /nfs/dbraw/zinc/42/11/88/369421188.db2.gz MDLSSHBRDSLOQF-UHFFFAOYSA-N 1 2 245.261 1.116 20 30 BDEDLO C[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405126864 369446312 /nfs/dbraw/zinc/44/63/12/369446312.db2.gz OMHINKHNCNULBZ-SECBINFHSA-N 1 2 202.257 1.255 20 30 BDEDLO C[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405126864 369446316 /nfs/dbraw/zinc/44/63/16/369446316.db2.gz OMHINKHNCNULBZ-SECBINFHSA-N 1 2 202.257 1.255 20 30 BDEDLO CC(C)[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405041087 369442869 /nfs/dbraw/zinc/44/28/69/369442869.db2.gz BUPKHDIDKJKJFV-CQSZACIVSA-N 1 2 230.311 1.891 20 30 BDEDLO CC(C)[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405041087 369442874 /nfs/dbraw/zinc/44/28/74/369442874.db2.gz BUPKHDIDKJKJFV-CQSZACIVSA-N 1 2 230.311 1.891 20 30 BDEDLO COCCOCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405168785 369448197 /nfs/dbraw/zinc/44/81/97/369448197.db2.gz QATWFRQJBQIMPZ-UHFFFAOYSA-N 1 2 246.310 1.537 20 30 BDEDLO COCCOCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405168785 369448199 /nfs/dbraw/zinc/44/81/99/369448199.db2.gz QATWFRQJBQIMPZ-UHFFFAOYSA-N 1 2 246.310 1.537 20 30 BDEDLO N#CC1(C[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000619534978 369466602 /nfs/dbraw/zinc/46/66/02/369466602.db2.gz FZESSKCBXAEHLM-UHFFFAOYSA-N 1 2 244.273 1.867 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000619718882 369548414 /nfs/dbraw/zinc/54/84/14/369548414.db2.gz FQSNQIKCLJJCEA-RYUDHWBXSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000619718882 369548416 /nfs/dbraw/zinc/54/84/16/369548416.db2.gz FQSNQIKCLJJCEA-RYUDHWBXSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000619718883 369548571 /nfs/dbraw/zinc/54/85/71/369548571.db2.gz FQSNQIKCLJJCEA-VXGBXAGGSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000619718883 369548575 /nfs/dbraw/zinc/54/85/75/369548575.db2.gz FQSNQIKCLJJCEA-VXGBXAGGSA-N 1 2 241.331 1.461 20 30 BDEDLO N#Cc1cc(-n2cc[nH+]c2)nc(C2CC2)n1 ZINC000601100597 369590979 /nfs/dbraw/zinc/59/09/79/369590979.db2.gz ONFPXZOWMGOAEP-UHFFFAOYSA-N 1 2 211.228 1.411 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1nccnc1C#N ZINC000601192094 369602160 /nfs/dbraw/zinc/60/21/60/369602160.db2.gz QTRYPQGCGYHMFX-SECBINFHSA-N 1 2 242.286 1.738 20 30 BDEDLO Cc1cc(C#N)cc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000601191873 369603889 /nfs/dbraw/zinc/60/38/89/369603889.db2.gz RGZLOTHIXRPRIW-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO Cc1cc(C#N)cc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000601191873 369603893 /nfs/dbraw/zinc/60/38/93/369603893.db2.gz RGZLOTHIXRPRIW-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)NC ZINC000602020635 369738342 /nfs/dbraw/zinc/73/83/42/369738342.db2.gz QEPQRYHVRWJMBY-GFCCVEGCSA-N 1 2 249.289 1.312 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000620310335 369825136 /nfs/dbraw/zinc/82/51/36/369825136.db2.gz MFWXVDOJZLJUNT-BETUJISGSA-N 1 2 245.326 1.983 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCOCC23CCC3)n1 ZINC000602473255 369792599 /nfs/dbraw/zinc/79/25/99/369792599.db2.gz LIABDOFWUKSPHD-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCOCC23CCC3)n1 ZINC000602473255 369792603 /nfs/dbraw/zinc/79/26/03/369792603.db2.gz LIABDOFWUKSPHD-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000602701302 369844035 /nfs/dbraw/zinc/84/40/35/369844035.db2.gz YZFROOOZSMNHCE-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000602701302 369844040 /nfs/dbraw/zinc/84/40/40/369844040.db2.gz YZFROOOZSMNHCE-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CO[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899522 369860993 /nfs/dbraw/zinc/86/09/93/369860993.db2.gz PPMDWGMQXRJYBL-BXUZGUMPSA-N 1 2 246.310 1.924 20 30 BDEDLO CO[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899522 369860995 /nfs/dbraw/zinc/86/09/95/369860995.db2.gz PPMDWGMQXRJYBL-BXUZGUMPSA-N 1 2 246.310 1.924 20 30 BDEDLO CO[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000602895721 369861160 /nfs/dbraw/zinc/86/11/60/369861160.db2.gz CUCMUPZMZAUBTG-SMDDNHRTSA-N 1 2 246.310 1.924 20 30 BDEDLO CO[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000602895721 369861163 /nfs/dbraw/zinc/86/11/63/369861163.db2.gz CUCMUPZMZAUBTG-SMDDNHRTSA-N 1 2 246.310 1.924 20 30 BDEDLO CC(C)(Nc1cncc(C#N)n1)c1[nH]cc[nH+]1 ZINC000603405661 369952548 /nfs/dbraw/zinc/95/25/48/369952548.db2.gz CEZMKRUGZYXKCX-UHFFFAOYSA-N 1 2 228.259 1.419 20 30 BDEDLO CCOc1cccc(C[NH2+][C@@H](C)CC#N)n1 ZINC000309983274 370286553 /nfs/dbraw/zinc/28/65/53/370286553.db2.gz XEKAEPHDIAMPNK-JTQLQIEISA-N 1 2 219.288 1.872 20 30 BDEDLO Cc1ccn2cc(C[NH2+]CCC#N)nc2c1 ZINC000568975222 326384164 /nfs/dbraw/zinc/38/41/64/326384164.db2.gz BDBJOIMFXVLOPO-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO Cc1ccn2cc(CNCCC#N)[nH+]c2c1 ZINC000568975222 326384165 /nfs/dbraw/zinc/38/41/65/326384165.db2.gz BDBJOIMFXVLOPO-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO N#Cc1csc(CNCC[N@H+]2CC=CCC2)n1 ZINC000392318881 371376976 /nfs/dbraw/zinc/37/69/76/371376976.db2.gz RQVVNHJNROBHHI-UHFFFAOYSA-N 1 2 248.355 1.366 20 30 BDEDLO N#Cc1csc(CNCC[N@@H+]2CC=CCC2)n1 ZINC000392318881 371376982 /nfs/dbraw/zinc/37/69/82/371376982.db2.gz RQVVNHJNROBHHI-UHFFFAOYSA-N 1 2 248.355 1.366 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000302316678 371570327 /nfs/dbraw/zinc/57/03/27/371570327.db2.gz GMRXDBYKBDKQFX-ZIAGYGMSSA-N 1 2 245.322 1.861 20 30 BDEDLO C=C(CC)CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627684638 371839906 /nfs/dbraw/zinc/83/99/06/371839906.db2.gz VFTMEUXNFWWPAY-LBPRGKRZSA-N 1 2 247.342 1.836 20 30 BDEDLO C=C1CC(C)(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000633601945 373620543 /nfs/dbraw/zinc/62/05/43/373620543.db2.gz LRGCFZYOTHFZMZ-UHFFFAOYSA-N 1 2 219.288 1.724 20 30 BDEDLO C=C1CC(C)(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000633601945 373620545 /nfs/dbraw/zinc/62/05/45/373620545.db2.gz LRGCFZYOTHFZMZ-UHFFFAOYSA-N 1 2 219.288 1.724 20 30 BDEDLO NC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000178684480 206008408 /nfs/dbraw/zinc/00/84/08/206008408.db2.gz BLRDBYPEFURPPP-CYBMUJFWSA-N 1 2 246.285 1.127 20 30 BDEDLO NC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000178684480 206008412 /nfs/dbraw/zinc/00/84/12/206008412.db2.gz BLRDBYPEFURPPP-CYBMUJFWSA-N 1 2 246.285 1.127 20 30 BDEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000042454418 169368108 /nfs/dbraw/zinc/36/81/08/169368108.db2.gz FVFXGANCQMTVJY-VXGBXAGGSA-N 1 2 239.363 1.915 20 30 BDEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000042454418 169368109 /nfs/dbraw/zinc/36/81/09/169368109.db2.gz FVFXGANCQMTVJY-VXGBXAGGSA-N 1 2 239.363 1.915 20 30 BDEDLO CC(C)n1ncnc1C[NH+]1CCC(C)(C#N)CC1 ZINC000226318817 259610224 /nfs/dbraw/zinc/61/02/24/259610224.db2.gz ZVBHBNCWPSTVKO-UHFFFAOYSA-N 1 2 247.346 1.985 20 30 BDEDLO Cc1cccc(C[N@@H+](C)C[C@H](C)C#N)n1 ZINC000080121245 384159999 /nfs/dbraw/zinc/15/99/99/384159999.db2.gz ZDSXPYLTJZJXBS-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cccc(C[N@H+](C)C[C@H](C)C#N)n1 ZINC000080121245 384160007 /nfs/dbraw/zinc/16/00/07/384160007.db2.gz ZDSXPYLTJZJXBS-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000336558388 384235432 /nfs/dbraw/zinc/23/54/32/384235432.db2.gz XLKDFVBKRKEQQT-SFYZADRCSA-N 1 2 207.302 1.855 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000336558388 384235438 /nfs/dbraw/zinc/23/54/38/384235438.db2.gz XLKDFVBKRKEQQT-SFYZADRCSA-N 1 2 207.302 1.855 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C(=O)OC ZINC000361112658 384214161 /nfs/dbraw/zinc/21/41/61/384214161.db2.gz IUNFPAZICAIBBG-UTUOFQBUSA-N 1 2 241.331 1.509 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](C)C#N ZINC000047028424 384441634 /nfs/dbraw/zinc/44/16/34/384441634.db2.gz SGLAQIUTHDTGJZ-GHMZBOCLSA-N 1 2 249.318 1.073 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000363479205 384501548 /nfs/dbraw/zinc/50/15/48/384501548.db2.gz FZVSTSLTXXZAKD-LLVKDONJSA-N 1 2 205.257 1.676 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000363479205 384501553 /nfs/dbraw/zinc/50/15/53/384501553.db2.gz FZVSTSLTXXZAKD-LLVKDONJSA-N 1 2 205.257 1.676 20 30 BDEDLO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000049067520 384518100 /nfs/dbraw/zinc/51/81/00/384518100.db2.gz JPDKYDVTTFTJRQ-LLVKDONJSA-N 1 2 245.326 1.780 20 30 BDEDLO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000049067520 384518105 /nfs/dbraw/zinc/51/81/05/384518105.db2.gz JPDKYDVTTFTJRQ-LLVKDONJSA-N 1 2 245.326 1.780 20 30 BDEDLO Cc1c[nH+]c(CN[C@H]2CCC[C@H]2C#N)n1C ZINC000309714735 384555506 /nfs/dbraw/zinc/55/55/06/384555506.db2.gz SHGDSOIQNKGXOU-QWRGUYRKSA-N 1 2 218.304 1.510 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000491758855 384573392 /nfs/dbraw/zinc/57/33/92/384573392.db2.gz KECPDRAIUBDPAC-ZDUSSCGKSA-N 1 2 241.294 1.397 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000491758855 384573399 /nfs/dbraw/zinc/57/33/99/384573399.db2.gz KECPDRAIUBDPAC-ZDUSSCGKSA-N 1 2 241.294 1.397 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000565157682 384615335 /nfs/dbraw/zinc/61/53/35/384615335.db2.gz OOFWEDRNJFZKEY-CQSZACIVSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000565157682 384615338 /nfs/dbraw/zinc/61/53/38/384615338.db2.gz OOFWEDRNJFZKEY-CQSZACIVSA-N 1 2 243.310 1.564 20 30 BDEDLO C[N@H+](CCC#N)C[C@](C)(O)c1ccccc1 ZINC000052096892 384717821 /nfs/dbraw/zinc/71/78/21/384717821.db2.gz NCIYKBNSVJZVEE-ZDUSSCGKSA-N 1 2 218.300 1.740 20 30 BDEDLO C[N@@H+](CCC#N)C[C@](C)(O)c1ccccc1 ZINC000052096892 384717828 /nfs/dbraw/zinc/71/78/28/384717828.db2.gz NCIYKBNSVJZVEE-ZDUSSCGKSA-N 1 2 218.300 1.740 20 30 BDEDLO C=CCC[C@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000449654893 384829747 /nfs/dbraw/zinc/82/97/47/384829747.db2.gz FVGCHZNJYIJPMP-MCIGGMRASA-N 1 2 241.331 1.651 20 30 BDEDLO N#Cc1cscc1C(=O)NCCn1cc[nH+]c1 ZINC000432708421 384846390 /nfs/dbraw/zinc/84/63/90/384846390.db2.gz NIMJKLGSOZTINS-UHFFFAOYSA-N 1 2 246.295 1.246 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000518324361 384955964 /nfs/dbraw/zinc/95/59/64/384955964.db2.gz OVYXKUHBLOOVQT-KOLCDFICSA-N 1 2 235.287 1.182 20 30 BDEDLO C=CCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000301930348 384945007 /nfs/dbraw/zinc/94/50/07/384945007.db2.gz OHXFHJDPJWWSPW-UHFFFAOYSA-N 1 2 221.308 1.659 20 30 BDEDLO C=CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000301930348 384945017 /nfs/dbraw/zinc/94/50/17/384945017.db2.gz OHXFHJDPJWWSPW-UHFFFAOYSA-N 1 2 221.308 1.659 20 30 BDEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000309951190 384945389 /nfs/dbraw/zinc/94/53/89/384945389.db2.gz GETGDWZMMWSEFW-SNVBAGLBSA-N 1 2 222.288 1.221 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000249002224 384975145 /nfs/dbraw/zinc/97/51/45/384975145.db2.gz YXNIYGVXSBWILU-YPMHNXCESA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000249002224 384975156 /nfs/dbraw/zinc/97/51/56/384975156.db2.gz YXNIYGVXSBWILU-YPMHNXCESA-N 1 2 240.347 1.178 20 30 BDEDLO C#CCOCCNc1cc[nH+]c(C(C)C)n1 ZINC000302166973 384975562 /nfs/dbraw/zinc/97/55/62/384975562.db2.gz PAXKVXIVEZWCQI-UHFFFAOYSA-N 1 2 219.288 1.662 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC(C)(C)C ZINC000518384102 385023112 /nfs/dbraw/zinc/02/31/12/385023112.db2.gz WNBGDAZRQSWJGL-CYBMUJFWSA-N 1 2 239.363 1.773 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491514137 385075569 /nfs/dbraw/zinc/07/55/69/385075569.db2.gz GXRSLTYNGBKBCO-MXWKQRLJSA-N 1 2 246.314 1.600 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)C(C)(C)C#N ZINC000107038743 385178993 /nfs/dbraw/zinc/17/89/93/385178993.db2.gz IDZMIATZPTYEKQ-UHFFFAOYSA-N 1 2 203.245 1.878 20 30 BDEDLO CC#CCO[NH+]=C(N)c1cccc(OC)c1 ZINC000165990581 385213242 /nfs/dbraw/zinc/21/32/42/385213242.db2.gz GTENPFQAVJNBGR-UHFFFAOYSA-N 1 2 218.256 1.355 20 30 BDEDLO CC#CC[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000157665594 385228468 /nfs/dbraw/zinc/22/84/68/385228468.db2.gz HEZWEPUMKDTRRF-UHFFFAOYSA-N 1 2 235.356 1.597 20 30 BDEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000157982390 385308132 /nfs/dbraw/zinc/30/81/32/385308132.db2.gz IVWYLWSQKDWOQB-CQSZACIVSA-N 1 2 242.322 1.747 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000157982390 385308136 /nfs/dbraw/zinc/30/81/36/385308136.db2.gz IVWYLWSQKDWOQB-CQSZACIVSA-N 1 2 242.322 1.747 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1ccncc1 ZINC000491298633 385324223 /nfs/dbraw/zinc/32/42/23/385324223.db2.gz WLKJBLLCEMXJAQ-CQSZACIVSA-N 1 2 230.311 1.348 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCc1ccncc1 ZINC000491298633 385324229 /nfs/dbraw/zinc/32/42/29/385324229.db2.gz WLKJBLLCEMXJAQ-CQSZACIVSA-N 1 2 230.311 1.348 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000491647602 385343324 /nfs/dbraw/zinc/34/33/24/385343324.db2.gz YMQLIMSLPHVNLY-VIFPVBQESA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000491647602 385343326 /nfs/dbraw/zinc/34/33/26/385343326.db2.gz YMQLIMSLPHVNLY-VIFPVBQESA-N 1 2 231.255 1.783 20 30 BDEDLO CC#CCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000154886033 385362929 /nfs/dbraw/zinc/36/29/29/385362929.db2.gz VGYZJIGXDTYRDW-UHFFFAOYSA-N 1 2 232.283 1.746 20 30 BDEDLO CCOC(=O)[C@H]([NH2+]CCCC#N)[C@H](C)CC ZINC000181649849 385412012 /nfs/dbraw/zinc/41/20/12/385412012.db2.gz ADMYXSPPDVKVRZ-GHMZBOCLSA-N 1 2 226.320 1.858 20 30 BDEDLO C[C@H]1CCN(CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156498912 385455450 /nfs/dbraw/zinc/45/54/50/385455450.db2.gz AYUWMGVZQWBESC-QWRGUYRKSA-N 1 2 204.277 1.290 20 30 BDEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1ccccc1O ZINC000157190351 385491103 /nfs/dbraw/zinc/49/11/03/385491103.db2.gz FCEGILGEYAOHNG-OQLLNIDSSA-N 1 2 248.326 1.973 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCC(F)(F)CC1 ZINC000599553251 385662614 /nfs/dbraw/zinc/66/26/14/385662614.db2.gz WTIICVQDWFXPIJ-SECBINFHSA-N 1 2 233.258 1.835 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCC(F)(F)CC1 ZINC000599553251 385662619 /nfs/dbraw/zinc/66/26/19/385662619.db2.gz WTIICVQDWFXPIJ-SECBINFHSA-N 1 2 233.258 1.835 20 30 BDEDLO C=C[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000309585512 385717385 /nfs/dbraw/zinc/71/73/85/385717385.db2.gz SCHBVUCTWQXGAN-SECBINFHSA-N 1 2 215.256 1.589 20 30 BDEDLO CC#CCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000184958840 385715437 /nfs/dbraw/zinc/71/54/37/385715437.db2.gz IHLBUNMQMPLRMJ-UHFFFAOYSA-N 1 2 234.265 1.580 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283646755 385826996 /nfs/dbraw/zinc/82/69/96/385826996.db2.gz COSCUUPIHSRSMB-FSIBCCDJSA-N 1 2 218.260 1.087 20 30 BDEDLO N#CC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000123684265 385904780 /nfs/dbraw/zinc/90/47/80/385904780.db2.gz ZBGHWPPPHNKPDM-UHFFFAOYSA-N 1 2 241.298 1.465 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NCCCC#N ZINC000345149522 386014509 /nfs/dbraw/zinc/01/45/09/386014509.db2.gz MQPUWVAUHWTZIK-UHFFFAOYSA-N 1 2 218.260 1.237 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347138464 386257260 /nfs/dbraw/zinc/25/72/60/386257260.db2.gz QTASGBHSTUZMCM-ZJUUUORDSA-N 1 2 232.287 1.275 20 30 BDEDLO Cc1cc(NCC(C)(C)C[C@@H](C)O)c(C#N)c[nH+]1 ZINC000398987023 386323018 /nfs/dbraw/zinc/32/30/18/386323018.db2.gz ILVWPLXPZCUAKK-LLVKDONJSA-N 1 2 247.342 1.893 20 30 BDEDLO C#CCCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000180410196 386262005 /nfs/dbraw/zinc/26/20/05/386262005.db2.gz XZRKKLBSNRKURV-UHFFFAOYSA-N 1 2 247.342 1.925 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(COC)no1 ZINC000181324554 386350869 /nfs/dbraw/zinc/35/08/69/386350869.db2.gz QBDQUNLXMHIHNI-UHFFFAOYSA-N 1 2 211.265 1.224 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(COC)no1 ZINC000181324554 386350875 /nfs/dbraw/zinc/35/08/75/386350875.db2.gz QBDQUNLXMHIHNI-UHFFFAOYSA-N 1 2 211.265 1.224 20 30 BDEDLO C[C@@]1(F)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000347372730 386371499 /nfs/dbraw/zinc/37/14/99/386371499.db2.gz KFPPSRLSAHWGSC-WDEREUQCSA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@@]1(F)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000347372730 386371502 /nfs/dbraw/zinc/37/15/02/386371502.db2.gz KFPPSRLSAHWGSC-WDEREUQCSA-N 1 2 209.268 1.864 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347393618 386380404 /nfs/dbraw/zinc/38/04/04/386380404.db2.gz VBQSJUWMKCFQPI-CYBMUJFWSA-N 1 2 242.338 1.845 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347393618 386380407 /nfs/dbraw/zinc/38/04/07/386380407.db2.gz VBQSJUWMKCFQPI-CYBMUJFWSA-N 1 2 242.338 1.845 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000645403608 386446810 /nfs/dbraw/zinc/44/68/10/386446810.db2.gz CNVOSDVTERDBHH-LBPRGKRZSA-N 1 2 245.326 1.271 20 30 BDEDLO Cc1cc(N[C@H](C)CCCO)c(C#N)c[nH+]1 ZINC000399205751 386450823 /nfs/dbraw/zinc/45/08/23/386450823.db2.gz VTALZYRXSHIGBE-SECBINFHSA-N 1 2 219.288 1.257 20 30 BDEDLO N#CC1(F)CCN(c2cccc[nH+]2)CC1 ZINC000343233064 386515986 /nfs/dbraw/zinc/51/59/86/386515986.db2.gz HNLKQRIOJYLSFQ-UHFFFAOYSA-N 1 2 205.236 1.914 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000328750465 386615518 /nfs/dbraw/zinc/61/55/18/386615518.db2.gz BZVZTCYQHBWCOP-ONGXEEELSA-N 1 2 237.303 1.487 20 30 BDEDLO C#CCOc1ccc(C[NH+]2CC(OCC)C2)cc1 ZINC000297466662 533185982 /nfs/dbraw/zinc/18/59/82/533185982.db2.gz QUJKIGIJGXCICJ-UHFFFAOYSA-N 1 2 245.322 1.919 20 30 BDEDLO CC[C@H](C)[C@@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000330457224 386718580 /nfs/dbraw/zinc/71/85/80/386718580.db2.gz OLNCCJIGFRHRDF-UFBFGSQYSA-N 1 2 239.319 1.820 20 30 BDEDLO C#CCNC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000292904315 386745586 /nfs/dbraw/zinc/74/55/86/386745586.db2.gz WJAJODKWXDFBEA-UHFFFAOYSA-N 1 2 232.274 1.101 20 30 BDEDLO C#CCNC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000292904315 386745590 /nfs/dbraw/zinc/74/55/90/386745590.db2.gz WJAJODKWXDFBEA-UHFFFAOYSA-N 1 2 232.274 1.101 20 30 BDEDLO CCc1nn(C)cc1C(=O)NCc1[nH+]ccn1C ZINC000330643148 386808726 /nfs/dbraw/zinc/80/87/26/386808726.db2.gz RPULCDXNPJZGJK-UHFFFAOYSA-N 1 2 247.302 1.221 20 30 BDEDLO Cn1c[nH+]cc1CNc1ncccc1C#N ZINC000336671440 386810146 /nfs/dbraw/zinc/81/01/46/386810146.db2.gz GYTISWDJPWDODO-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO COCCN(CC#N)Cc1c[nH+]cn1C(C)C ZINC000425341185 386842328 /nfs/dbraw/zinc/84/23/28/386842328.db2.gz CJBIOSWCNYYITD-UHFFFAOYSA-N 1 2 236.319 1.436 20 30 BDEDLO C#CC[C@@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000378194320 533204394 /nfs/dbraw/zinc/20/43/94/533204394.db2.gz IFUBMEAXFHICAV-LLVKDONJSA-N 1 2 226.283 1.513 20 30 BDEDLO Cc1nn(C)cc1CNc1cc(C)[nH+]cc1C#N ZINC000399478053 386963752 /nfs/dbraw/zinc/96/37/52/386963752.db2.gz DEVOKLVLRXPARD-UHFFFAOYSA-N 1 2 241.298 1.338 20 30 BDEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC#N)C1 ZINC000331138189 386971552 /nfs/dbraw/zinc/97/15/52/386971552.db2.gz JFBNCGKBMLGYLU-SNVBAGLBSA-N 1 2 224.304 1.564 20 30 BDEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000331138189 386971556 /nfs/dbraw/zinc/97/15/56/386971556.db2.gz JFBNCGKBMLGYLU-SNVBAGLBSA-N 1 2 224.304 1.564 20 30 BDEDLO Cc1cc(NCCC(=O)NC(C)C)c(C#N)c[nH+]1 ZINC000399539928 386991750 /nfs/dbraw/zinc/99/17/50/386991750.db2.gz YGTRCGNMSSJHKF-UHFFFAOYSA-N 1 2 246.314 1.010 20 30 BDEDLO CCC1(CC)[C@H]([NH2+]CC#N)[C@H](C)[C@@H]1OC ZINC000191412335 386948889 /nfs/dbraw/zinc/94/88/89/386948889.db2.gz YZHWPZPEYJPYLO-AXFHLTTASA-N 1 2 210.321 1.939 20 30 BDEDLO Cc1cc(NC[C@H]2CCO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399567049 387015462 /nfs/dbraw/zinc/01/54/62/387015462.db2.gz IOKXYIPUQCHSJW-NEPJUHHUSA-N 1 2 245.326 1.911 20 30 BDEDLO C=CC[N@@H+](Cc1cncnc1OC)C1CC1 ZINC000648023475 387027724 /nfs/dbraw/zinc/02/77/24/387027724.db2.gz GHQDKXZEUKKDGM-UHFFFAOYSA-N 1 2 219.288 1.636 20 30 BDEDLO C=CC[N@H+](Cc1cncnc1OC)C1CC1 ZINC000648023475 387027728 /nfs/dbraw/zinc/02/77/28/387027728.db2.gz GHQDKXZEUKKDGM-UHFFFAOYSA-N 1 2 219.288 1.636 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000424651988 387235243 /nfs/dbraw/zinc/23/52/43/387235243.db2.gz VUCPDZRBGMRRIK-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO C#CC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000161566903 387246534 /nfs/dbraw/zinc/24/65/34/387246534.db2.gz GZIZWYNKGNHTGR-UHFFFAOYSA-N 1 2 205.261 1.370 20 30 BDEDLO C=CCC1(C(=O)NCc2c[nH+]c[nH]2)CCOCC1 ZINC000424690544 387248993 /nfs/dbraw/zinc/24/89/93/387248993.db2.gz UNXPUNZIYZROKK-UHFFFAOYSA-N 1 2 249.314 1.399 20 30 BDEDLO C=CCC1(C(=O)NCc2c[nH]c[nH+]2)CCOCC1 ZINC000424690544 387249000 /nfs/dbraw/zinc/24/90/00/387249000.db2.gz UNXPUNZIYZROKK-UHFFFAOYSA-N 1 2 249.314 1.399 20 30 BDEDLO CC[C@@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000514676067 387283092 /nfs/dbraw/zinc/28/30/92/387283092.db2.gz QBVZUDWCGOTQRV-UWVGGRQHSA-N 1 2 220.276 1.253 20 30 BDEDLO C#CCC[N@H+](CCc1ccccc1)CC(=O)OC ZINC000272044836 387450813 /nfs/dbraw/zinc/45/08/13/387450813.db2.gz CWCKGVSBRFGXEJ-UHFFFAOYSA-N 1 2 245.322 1.727 20 30 BDEDLO C#CCC[N@@H+](CCc1ccccc1)CC(=O)OC ZINC000272044836 387450819 /nfs/dbraw/zinc/45/08/19/387450819.db2.gz CWCKGVSBRFGXEJ-UHFFFAOYSA-N 1 2 245.322 1.727 20 30 BDEDLO C=C1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1 ZINC000273427535 387458742 /nfs/dbraw/zinc/45/87/42/387458742.db2.gz ZYILIANPUFGBJX-JTQLQIEISA-N 1 2 237.303 1.929 20 30 BDEDLO C#CC[N@@H+](CCO)Cc1cc(OC)ccc1OC ZINC000264747774 387392897 /nfs/dbraw/zinc/39/28/97/387392897.db2.gz UKQLWJZZTZXWSH-UHFFFAOYSA-N 1 2 249.310 1.131 20 30 BDEDLO C#CC[N@H+](CCO)Cc1cc(OC)ccc1OC ZINC000264747774 387392902 /nfs/dbraw/zinc/39/29/02/387392902.db2.gz UKQLWJZZTZXWSH-UHFFFAOYSA-N 1 2 249.310 1.131 20 30 BDEDLO C=CCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000267121905 387407386 /nfs/dbraw/zinc/40/73/86/387407386.db2.gz UAWPTPSOXCTCJE-UHFFFAOYSA-N 1 2 221.304 1.735 20 30 BDEDLO C#CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268673897 387416374 /nfs/dbraw/zinc/41/63/74/387416374.db2.gz KSHCKGWTNVWIGY-HUUCEWRRSA-N 1 2 245.322 1.444 20 30 BDEDLO C#CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268673897 387416380 /nfs/dbraw/zinc/41/63/80/387416380.db2.gz KSHCKGWTNVWIGY-HUUCEWRRSA-N 1 2 245.322 1.444 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(C)C ZINC000042449687 387628882 /nfs/dbraw/zinc/62/88/82/387628882.db2.gz RYIKSIINHIIJBD-NEPJUHHUSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(C)C ZINC000042449687 387628887 /nfs/dbraw/zinc/62/88/87/387628887.db2.gz RYIKSIINHIIJBD-NEPJUHHUSA-N 1 2 239.363 1.629 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cccc(C#N)n1 ZINC000268966970 387621336 /nfs/dbraw/zinc/62/13/36/387621336.db2.gz NEFGOHSHJJZMNE-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000527239992 387547697 /nfs/dbraw/zinc/54/76/97/387547697.db2.gz RICQHIWNHHHAHR-NSHDSACASA-N 1 2 220.276 1.151 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000527239992 387547699 /nfs/dbraw/zinc/54/76/99/387547699.db2.gz RICQHIWNHHHAHR-NSHDSACASA-N 1 2 220.276 1.151 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)Nc1c[nH+]ccc1OC ZINC000279154696 387561376 /nfs/dbraw/zinc/56/13/76/387561376.db2.gz FOHOJMIXEGEKQF-GFCCVEGCSA-N 1 2 236.271 1.356 20 30 BDEDLO COC[C@H]1C[N@H+](CC2(C#N)CCC2)CCO1 ZINC000450437307 387754131 /nfs/dbraw/zinc/75/41/31/387754131.db2.gz SMJLKWRKSADSRA-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO COC[C@H]1C[N@@H+](CC2(C#N)CCC2)CCO1 ZINC000450437307 387754136 /nfs/dbraw/zinc/75/41/36/387754136.db2.gz SMJLKWRKSADSRA-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ncnn1C ZINC000353179301 387740695 /nfs/dbraw/zinc/74/06/95/387740695.db2.gz FGSOWQSAGMTFLM-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=Cn1cc(C[N@H+](CC)C[C@@H](C)C#N)cn1 ZINC000193761236 387803885 /nfs/dbraw/zinc/80/38/85/387803885.db2.gz RCZACEDXIWGOLO-NSHDSACASA-N 1 2 218.304 1.965 20 30 BDEDLO C=Cn1cc(C[N@@H+](CC)C[C@@H](C)C#N)cn1 ZINC000193761236 387803890 /nfs/dbraw/zinc/80/38/90/387803890.db2.gz RCZACEDXIWGOLO-NSHDSACASA-N 1 2 218.304 1.965 20 30 BDEDLO COCC1(C)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000432734960 387811789 /nfs/dbraw/zinc/81/17/89/387811789.db2.gz ZVZURLFLKKKLFK-NSHDSACASA-N 1 2 221.304 1.398 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1F)C(C)(C)C(N)=O ZINC000295058562 387835711 /nfs/dbraw/zinc/83/57/11/387835711.db2.gz BBXDRIMLTPZPFE-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1F)C(C)(C)C(N)=O ZINC000295058562 387835717 /nfs/dbraw/zinc/83/57/17/387835717.db2.gz BBXDRIMLTPZPFE-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCCC#N ZINC000433165637 387875107 /nfs/dbraw/zinc/87/51/07/387875107.db2.gz CPADBSKYACKLIW-HZMBPMFUSA-N 1 2 214.334 1.133 20 30 BDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCCC#N ZINC000433165637 387875116 /nfs/dbraw/zinc/87/51/16/387875116.db2.gz CPADBSKYACKLIW-HZMBPMFUSA-N 1 2 214.334 1.133 20 30 BDEDLO N#CCC[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000514668313 387912192 /nfs/dbraw/zinc/91/21/92/387912192.db2.gz DUCGBNWUTPZNNX-LLVKDONJSA-N 1 2 229.283 1.295 20 30 BDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCC#N)C1 ZINC000106868945 387975416 /nfs/dbraw/zinc/97/54/16/387975416.db2.gz UDIRDVLDTSKLLL-JTQLQIEISA-N 1 2 239.319 1.499 20 30 BDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC#N)C1 ZINC000106868945 387975420 /nfs/dbraw/zinc/97/54/20/387975420.db2.gz UDIRDVLDTSKLLL-JTQLQIEISA-N 1 2 239.319 1.499 20 30 BDEDLO COC[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@@H](C)O1 ZINC000439283978 387990775 /nfs/dbraw/zinc/99/07/75/387990775.db2.gz LATPHOOEILXGSC-MNOVXSKESA-N 1 2 224.304 1.026 20 30 BDEDLO COC[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@@H](C)O1 ZINC000439283978 387990779 /nfs/dbraw/zinc/99/07/79/387990779.db2.gz LATPHOOEILXGSC-MNOVXSKESA-N 1 2 224.304 1.026 20 30 BDEDLO C=C(C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000454337902 388114564 /nfs/dbraw/zinc/11/45/64/388114564.db2.gz IRIOKUNCIJNEPX-NSHDSACASA-N 1 2 236.319 1.537 20 30 BDEDLO CC[C@H]1C[C@@H](C[N@@H+](CC#N)CCOC)CCO1 ZINC000453603727 388091521 /nfs/dbraw/zinc/09/15/21/388091521.db2.gz YOGBMXBIFXKXIY-STQMWFEESA-N 1 2 240.347 1.664 20 30 BDEDLO CC[C@H]1C[C@@H](C[N@H+](CC#N)CCOC)CCO1 ZINC000453603727 388091525 /nfs/dbraw/zinc/09/15/25/388091525.db2.gz YOGBMXBIFXKXIY-STQMWFEESA-N 1 2 240.347 1.664 20 30 BDEDLO C=CCCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000447996046 388107679 /nfs/dbraw/zinc/10/76/79/388107679.db2.gz CBBTXVZZBQYCJL-LLVKDONJSA-N 1 2 248.330 1.463 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnccc1C ZINC000490739867 388252204 /nfs/dbraw/zinc/25/22/04/388252204.db2.gz LJDHWXOOSZFWMP-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnccc1C ZINC000490739867 388252206 /nfs/dbraw/zinc/25/22/06/388252206.db2.gz LJDHWXOOSZFWMP-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(CC)[nH]1 ZINC000489435304 388214173 /nfs/dbraw/zinc/21/41/73/388214173.db2.gz UAKIXRMPHAFCEV-SNVBAGLBSA-N 1 2 220.320 1.908 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(CC)[nH]1 ZINC000489435304 388214174 /nfs/dbraw/zinc/21/41/74/388214174.db2.gz UAKIXRMPHAFCEV-SNVBAGLBSA-N 1 2 220.320 1.908 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451851016 388301558 /nfs/dbraw/zinc/30/15/58/388301558.db2.gz LCRJFHHKBINGJY-VHSXEESVSA-N 1 2 237.290 1.261 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451851016 388301560 /nfs/dbraw/zinc/30/15/60/388301560.db2.gz LCRJFHHKBINGJY-VHSXEESVSA-N 1 2 237.290 1.261 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000491537082 388302014 /nfs/dbraw/zinc/30/20/14/388302014.db2.gz ODBLNTPNNHTGSM-LLVKDONJSA-N 1 2 241.294 1.450 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000491537082 388302015 /nfs/dbraw/zinc/30/20/15/388302015.db2.gz ODBLNTPNNHTGSM-LLVKDONJSA-N 1 2 241.294 1.450 20 30 BDEDLO C#CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000491568806 388304146 /nfs/dbraw/zinc/30/41/46/388304146.db2.gz SULSJUCLKJAHPP-UHFFFAOYSA-N 1 2 246.266 1.898 20 30 BDEDLO C#CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000491568806 388304147 /nfs/dbraw/zinc/30/41/47/388304147.db2.gz SULSJUCLKJAHPP-UHFFFAOYSA-N 1 2 246.266 1.898 20 30 BDEDLO C#CC[N@@H+](Cc1ccncc1F)C1CC1 ZINC000491568220 388304291 /nfs/dbraw/zinc/30/42/91/388304291.db2.gz PITCZYINOVJEKL-UHFFFAOYSA-N 1 2 204.248 1.818 20 30 BDEDLO C#CC[N@H+](Cc1ccncc1F)C1CC1 ZINC000491568220 388304292 /nfs/dbraw/zinc/30/42/92/388304292.db2.gz PITCZYINOVJEKL-UHFFFAOYSA-N 1 2 204.248 1.818 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](CC)CC1=O ZINC000491644293 388304733 /nfs/dbraw/zinc/30/47/33/388304733.db2.gz JUPLKGBUWUHBME-WDEREUQCSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](CC)CC1=O ZINC000491644293 388304734 /nfs/dbraw/zinc/30/47/34/388304734.db2.gz JUPLKGBUWUHBME-WDEREUQCSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](CC)CC1=O ZINC000491644292 388304737 /nfs/dbraw/zinc/30/47/37/388304737.db2.gz JUPLKGBUWUHBME-QWRGUYRKSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](CC)CC1=O ZINC000491644292 388304738 /nfs/dbraw/zinc/30/47/38/388304738.db2.gz JUPLKGBUWUHBME-QWRGUYRKSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1cccc(C)n1 ZINC000491636666 388307176 /nfs/dbraw/zinc/30/71/76/388307176.db2.gz VQWLWLUEZOVEAQ-AWEZNQCLSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1cccc(C)n1 ZINC000491636666 388307177 /nfs/dbraw/zinc/30/71/77/388307177.db2.gz VQWLWLUEZOVEAQ-AWEZNQCLSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000491637014 388307189 /nfs/dbraw/zinc/30/71/89/388307189.db2.gz UFKIRCSXHBBCAC-MRVPVSSYSA-N 1 2 248.355 1.861 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000491637014 388307190 /nfs/dbraw/zinc/30/71/90/388307190.db2.gz UFKIRCSXHBBCAC-MRVPVSSYSA-N 1 2 248.355 1.861 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000491647770 388307803 /nfs/dbraw/zinc/30/78/03/388307803.db2.gz ZMOUVGNPCWQHJD-BPNCWPANSA-N 1 2 246.354 1.544 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000491647770 388307804 /nfs/dbraw/zinc/30/78/04/388307804.db2.gz ZMOUVGNPCWQHJD-BPNCWPANSA-N 1 2 246.354 1.544 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000491696988 388312021 /nfs/dbraw/zinc/31/20/21/388312021.db2.gz GBGFUQUKVDDXEF-UHFFFAOYSA-N 1 2 213.284 1.708 20 30 BDEDLO C#CC[N@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000491696988 388312022 /nfs/dbraw/zinc/31/20/22/388312022.db2.gz GBGFUQUKVDDXEF-UHFFFAOYSA-N 1 2 213.284 1.708 20 30 BDEDLO C#CCN(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000491696988 388312023 /nfs/dbraw/zinc/31/20/23/388312023.db2.gz GBGFUQUKVDDXEF-UHFFFAOYSA-N 1 2 213.284 1.708 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000491771059 388319147 /nfs/dbraw/zinc/31/91/47/388319147.db2.gz NTNHMYNAONKOOS-QMMMGPOBSA-N 1 2 206.245 1.331 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000491771059 388319148 /nfs/dbraw/zinc/31/91/48/388319148.db2.gz NTNHMYNAONKOOS-QMMMGPOBSA-N 1 2 206.245 1.331 20 30 BDEDLO COc1cccnc1C[NH2+]C[C@H](C#N)CCC#N ZINC000573111958 388421085 /nfs/dbraw/zinc/42/10/85/388421085.db2.gz XGJOKOVRMSBHKK-NSHDSACASA-N 1 2 244.298 1.623 20 30 BDEDLO CC[C@H](C)[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573124192 388421790 /nfs/dbraw/zinc/42/17/90/388421790.db2.gz VFPOAXLZZQCQSB-GVXVVHGQSA-N 1 2 239.363 1.629 20 30 BDEDLO C=CC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178240993 388497170 /nfs/dbraw/zinc/49/71/70/388497170.db2.gz GFLCESNBSAQZBI-SECBINFHSA-N 1 2 222.254 1.741 20 30 BDEDLO Cc1cc(NC(=O)c2ccc(C#N)cn2)cc[nH+]1 ZINC000107760315 388606658 /nfs/dbraw/zinc/60/66/58/388606658.db2.gz QCDVQOMTTVUAQP-UHFFFAOYSA-N 1 2 238.250 1.909 20 30 BDEDLO C=CC[N@@H+](C)Cc1nnc(C)n1CCC ZINC000121333060 135223008 /nfs/dbraw/zinc/22/30/08/135223008.db2.gz VNQDGDYGIKHMHC-UHFFFAOYSA-N 1 2 208.309 1.614 20 30 BDEDLO C=CC[N@H+](C)Cc1nnc(C)n1CCC ZINC000121333060 135223009 /nfs/dbraw/zinc/22/30/09/135223009.db2.gz VNQDGDYGIKHMHC-UHFFFAOYSA-N 1 2 208.309 1.614 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)CC1(O)CCC1 ZINC000356406988 388607505 /nfs/dbraw/zinc/60/75/05/388607505.db2.gz GLVDAFXYQLUJRR-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)CC1(O)CCC1 ZINC000356406988 388607509 /nfs/dbraw/zinc/60/75/09/388607509.db2.gz GLVDAFXYQLUJRR-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1nccs1 ZINC000121565519 135224416 /nfs/dbraw/zinc/22/44/16/135224416.db2.gz DFSGQBFZYUBVSD-UHFFFAOYSA-N 1 2 211.290 1.199 20 30 BDEDLO CC#CC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528735060 388564163 /nfs/dbraw/zinc/56/41/63/388564163.db2.gz VRLZZGKYAWTZQK-UHFFFAOYSA-N 1 2 227.311 1.735 20 30 BDEDLO CC#CC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528735060 388564165 /nfs/dbraw/zinc/56/41/65/388564165.db2.gz VRLZZGKYAWTZQK-UHFFFAOYSA-N 1 2 227.311 1.735 20 30 BDEDLO CC#CC[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185240803 388585590 /nfs/dbraw/zinc/58/55/90/388585590.db2.gz VUWONHLBDDPMGQ-OAHLLOKOSA-N 1 2 227.373 1.633 20 30 BDEDLO CC#CC[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185240803 388585592 /nfs/dbraw/zinc/58/55/92/388585592.db2.gz VUWONHLBDDPMGQ-OAHLLOKOSA-N 1 2 227.373 1.633 20 30 BDEDLO CCC1(CC)C[N@H+](CCCC#N)CC[S@]1=O ZINC000185257337 388585925 /nfs/dbraw/zinc/58/59/25/388585925.db2.gz XFPMOXSEXFNEIP-MRXNPFEDSA-N 1 2 242.388 1.913 20 30 BDEDLO CCC1(CC)C[N@@H+](CCCC#N)CC[S@]1=O ZINC000185257337 388585927 /nfs/dbraw/zinc/58/59/27/388585927.db2.gz XFPMOXSEXFNEIP-MRXNPFEDSA-N 1 2 242.388 1.913 20 30 BDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000361173991 388636309 /nfs/dbraw/zinc/63/63/09/388636309.db2.gz QDYDEMOPECEHCE-NSHDSACASA-N 1 2 246.310 1.860 20 30 BDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000361173991 388636313 /nfs/dbraw/zinc/63/63/13/388636313.db2.gz QDYDEMOPECEHCE-NSHDSACASA-N 1 2 246.310 1.860 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H](C)CS(C)(=O)=O ZINC000246601009 388645060 /nfs/dbraw/zinc/64/50/60/388645060.db2.gz QPGVXHLJUSQMLZ-MNOVXSKESA-N 1 2 246.376 1.149 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)C[C@H](C)CS(C)(=O)=O ZINC000246601009 388645061 /nfs/dbraw/zinc/64/50/61/388645061.db2.gz QPGVXHLJUSQMLZ-MNOVXSKESA-N 1 2 246.376 1.149 20 30 BDEDLO Cc1ccnc(N[C@H](C)Cn2cc[nH+]c2)c1C#N ZINC000123321845 388654049 /nfs/dbraw/zinc/65/40/49/388654049.db2.gz GXYJXTOXVOACLT-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191254179 388661419 /nfs/dbraw/zinc/66/14/19/388661419.db2.gz QEJMGIZNJQNSPY-GFCCVEGCSA-N 1 2 233.315 1.508 20 30 BDEDLO CC[C@@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191254179 388661422 /nfs/dbraw/zinc/66/14/22/388661422.db2.gz QEJMGIZNJQNSPY-GFCCVEGCSA-N 1 2 233.315 1.508 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cccc(C#N)n1 ZINC000080117853 388706951 /nfs/dbraw/zinc/70/69/51/388706951.db2.gz SAUIQKIFMAYDFC-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330379841 388756254 /nfs/dbraw/zinc/75/62/54/388756254.db2.gz GZEXGSCXQOGYJX-BXUZGUMPSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330379841 388756260 /nfs/dbraw/zinc/75/62/60/388756260.db2.gz GZEXGSCXQOGYJX-BXUZGUMPSA-N 1 2 246.310 1.312 20 30 BDEDLO CCCC[N@H+](CC(N)=O)Cc1ccc(C#N)o1 ZINC000091950342 388732352 /nfs/dbraw/zinc/73/23/52/388732352.db2.gz GNBGJLUQRQCDMN-UHFFFAOYSA-N 1 2 235.287 1.239 20 30 BDEDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)o1 ZINC000091950342 388732355 /nfs/dbraw/zinc/73/23/55/388732355.db2.gz GNBGJLUQRQCDMN-UHFFFAOYSA-N 1 2 235.287 1.239 20 30 BDEDLO CC(C)n1cc[nH+]c1Cn1cnc(C#N)c1C#N ZINC000332724550 388797980 /nfs/dbraw/zinc/79/79/80/388797980.db2.gz SBILZMDRGINZFL-UHFFFAOYSA-N 1 2 240.270 1.452 20 30 BDEDLO Cc1cc(N[C@@H]2CCCOCC2)c(C#N)c[nH+]1 ZINC000333221397 388812275 /nfs/dbraw/zinc/81/22/75/388812275.db2.gz ABGZTAGBGNZGEV-GFCCVEGCSA-N 1 2 231.299 1.665 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ncn(C)n1 ZINC000391945963 388787428 /nfs/dbraw/zinc/78/74/28/388787428.db2.gz QTZOBQBYXCHTIO-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO CN(CC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000068972597 388816883 /nfs/dbraw/zinc/81/68/83/388816883.db2.gz FSDIYLJPIRJOPB-UHFFFAOYSA-N 1 2 226.283 1.828 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)CCn1cc[nH+]c1 ZINC000233295216 388864731 /nfs/dbraw/zinc/86/47/31/388864731.db2.gz BESHGBVWTQNXCY-NSHDSACASA-N 1 2 219.288 1.191 20 30 BDEDLO C=CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565374740 388940489 /nfs/dbraw/zinc/94/04/89/388940489.db2.gz WMWOEGPCFMDARL-VIFPVBQESA-N 1 2 207.277 1.233 20 30 BDEDLO C=CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565374740 388940485 /nfs/dbraw/zinc/94/04/85/388940485.db2.gz WMWOEGPCFMDARL-VIFPVBQESA-N 1 2 207.277 1.233 20 30 BDEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](C)CC1 ZINC000130504531 132235937 /nfs/dbraw/zinc/23/59/37/132235937.db2.gz LYSUXZBFLTUURX-UHFFFAOYSA-N 1 2 243.310 1.513 20 30 BDEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330292251 134000168 /nfs/dbraw/zinc/00/01/68/134000168.db2.gz DECKRUWOGCVKMK-SECBINFHSA-N 1 2 245.286 1.234 20 30 BDEDLO N#CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330296584 134000355 /nfs/dbraw/zinc/00/03/55/134000355.db2.gz GIVFJJRNCRKPTR-JTQLQIEISA-N 1 2 244.298 1.848 20 30 BDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCCC#N ZINC000332495416 134005399 /nfs/dbraw/zinc/00/53/99/134005399.db2.gz GUQMKUAKZNGZJF-UWVGGRQHSA-N 1 2 232.349 1.044 20 30 BDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCCC#N ZINC000332495416 134005400 /nfs/dbraw/zinc/00/54/00/134005400.db2.gz GUQMKUAKZNGZJF-UWVGGRQHSA-N 1 2 232.349 1.044 20 30 BDEDLO CN1CC[C@H]([N@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000335944559 134019272 /nfs/dbraw/zinc/01/92/72/134019272.db2.gz SFXJIXAZAKWZKQ-NSHDSACASA-N 1 2 249.339 1.282 20 30 BDEDLO CN1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000335944559 134019273 /nfs/dbraw/zinc/01/92/73/134019273.db2.gz SFXJIXAZAKWZKQ-NSHDSACASA-N 1 2 249.339 1.282 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)c2sccc2C#N)C1 ZINC000336065164 134070018 /nfs/dbraw/zinc/07/00/18/134070018.db2.gz UAYCCIVMHHIQOH-UHFFFAOYSA-N 1 2 249.339 1.442 20 30 BDEDLO C=C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336345459 134144256 /nfs/dbraw/zinc/14/42/56/134144256.db2.gz XGWYGFRJOJAEDG-GFCCVEGCSA-N 1 2 245.326 1.624 20 30 BDEDLO C[C@@H](C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000336407498 134146451 /nfs/dbraw/zinc/14/64/51/134146451.db2.gz YTSBAGMLCPZBRK-JTQLQIEISA-N 1 2 240.266 1.970 20 30 BDEDLO C[C@@H](C#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000336583321 134150662 /nfs/dbraw/zinc/15/06/62/134150662.db2.gz MUZNOQWNCLWXGV-VIFPVBQESA-N 1 2 228.255 1.110 20 30 BDEDLO CC[C@H]1C[N@H+](CC2(C#N)CC2)C[C@H](C)O1 ZINC000336619234 134151605 /nfs/dbraw/zinc/15/16/05/134151605.db2.gz GWILJSVRVONRPB-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@H](C)O1 ZINC000336619234 134151606 /nfs/dbraw/zinc/15/16/06/134151606.db2.gz GWILJSVRVONRPB-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000168017312 134155482 /nfs/dbraw/zinc/15/54/82/134155482.db2.gz WJZAKMNPZCTBDC-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000168017312 134155483 /nfs/dbraw/zinc/15/54/83/134155483.db2.gz WJZAKMNPZCTBDC-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C#N ZINC000353249955 134162891 /nfs/dbraw/zinc/16/28/91/134162891.db2.gz AKQLAQMEBDOGTO-UHFFFAOYSA-N 1 2 234.303 1.269 20 30 BDEDLO CC#CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353281962 134162931 /nfs/dbraw/zinc/16/29/31/134162931.db2.gz FCQQZIMCFLEXAE-SECBINFHSA-N 1 2 203.232 1.366 20 30 BDEDLO CC#CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353281962 134162932 /nfs/dbraw/zinc/16/29/32/134162932.db2.gz FCQQZIMCFLEXAE-SECBINFHSA-N 1 2 203.232 1.366 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354980013 134171253 /nfs/dbraw/zinc/17/12/53/134171253.db2.gz LTHLMZMGCLPFFB-KGLIPLIRSA-N 1 2 242.322 1.750 20 30 BDEDLO CCN(CCC#N)CC[N@H+](CC)CCC#N ZINC000357938224 134186225 /nfs/dbraw/zinc/18/62/25/134186225.db2.gz XMBCQVJMOWXPLY-UHFFFAOYSA-N 1 2 222.336 1.458 20 30 BDEDLO CCN(CCC#N)CC[N@@H+](CC)CCC#N ZINC000357938224 134186226 /nfs/dbraw/zinc/18/62/26/134186226.db2.gz XMBCQVJMOWXPLY-UHFFFAOYSA-N 1 2 222.336 1.458 20 30 BDEDLO N#CCC[C@H](C#N)C[NH+]1CC2(C1)CCCOC2 ZINC000367487887 134215507 /nfs/dbraw/zinc/21/55/07/134215507.db2.gz CHENNBPKUNOLOB-GFCCVEGCSA-N 1 2 233.315 1.542 20 30 BDEDLO CCCCNC(=O)CC[N@@H+](CC#N)CCC ZINC000116273689 134217032 /nfs/dbraw/zinc/21/70/32/134217032.db2.gz NVMOKASWNKYKKD-UHFFFAOYSA-N 1 2 225.336 1.528 20 30 BDEDLO CCCCNC(=O)CC[N@H+](CC#N)CCC ZINC000116273689 134217033 /nfs/dbraw/zinc/21/70/33/134217033.db2.gz NVMOKASWNKYKKD-UHFFFAOYSA-N 1 2 225.336 1.528 20 30 BDEDLO C[N@H+](CCCC#N)Cc1cn2c(n1)CCCC2 ZINC000368462287 134218755 /nfs/dbraw/zinc/21/87/55/134218755.db2.gz NIVBCEURFRVZGI-UHFFFAOYSA-N 1 2 232.331 1.955 20 30 BDEDLO C[N@@H+](CCCC#N)Cc1cn2c(n1)CCCC2 ZINC000368462287 134218756 /nfs/dbraw/zinc/21/87/56/134218756.db2.gz NIVBCEURFRVZGI-UHFFFAOYSA-N 1 2 232.331 1.955 20 30 BDEDLO CN(CCCC#N)Cc1cn2c([nH+]1)CCCC2 ZINC000368462287 134218757 /nfs/dbraw/zinc/21/87/57/134218757.db2.gz NIVBCEURFRVZGI-UHFFFAOYSA-N 1 2 232.331 1.955 20 30 BDEDLO N#CCC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120197883 134228328 /nfs/dbraw/zinc/22/83/28/134228328.db2.gz MPNSPYCMGSSCHR-UHFFFAOYSA-N 1 2 235.331 1.377 20 30 BDEDLO Cc1c([C@H]2CCC[N@@H+]2CCC#N)cnn1C ZINC000371378736 134228514 /nfs/dbraw/zinc/22/85/14/134228514.db2.gz KYWFYVYUGJHDND-GFCCVEGCSA-N 1 2 218.304 1.779 20 30 BDEDLO Cc1c([C@H]2CCC[N@H+]2CCC#N)cnn1C ZINC000371378736 134228515 /nfs/dbraw/zinc/22/85/15/134228515.db2.gz KYWFYVYUGJHDND-GFCCVEGCSA-N 1 2 218.304 1.779 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000372907629 134232963 /nfs/dbraw/zinc/23/29/63/134232963.db2.gz XFWMRRRGNIVXBJ-ZDUSSCGKSA-N 1 2 218.300 1.422 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000372907629 134232964 /nfs/dbraw/zinc/23/29/64/134232964.db2.gz XFWMRRRGNIVXBJ-ZDUSSCGKSA-N 1 2 218.300 1.422 20 30 BDEDLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C#N ZINC000374628238 134237550 /nfs/dbraw/zinc/23/75/50/134237550.db2.gz YRAXNHKQTPDTRO-WCFLWFBJSA-N 1 2 235.331 1.374 20 30 BDEDLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)C#N ZINC000374628238 134237551 /nfs/dbraw/zinc/23/75/51/134237551.db2.gz YRAXNHKQTPDTRO-WCFLWFBJSA-N 1 2 235.331 1.374 20 30 BDEDLO C#CCCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378402274 134245857 /nfs/dbraw/zinc/24/58/57/134245857.db2.gz WDUOQXMCPUHQKN-NSHDSACASA-N 1 2 245.326 1.577 20 30 BDEDLO C#CCCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378402274 134245858 /nfs/dbraw/zinc/24/58/58/134245858.db2.gz WDUOQXMCPUHQKN-NSHDSACASA-N 1 2 245.326 1.577 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1F ZINC000219521921 134285181 /nfs/dbraw/zinc/28/51/81/134285181.db2.gz BELRUGLRLPNTOO-LLVKDONJSA-N 1 2 247.273 1.147 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1F ZINC000219521921 134285182 /nfs/dbraw/zinc/28/51/82/134285182.db2.gz BELRUGLRLPNTOO-LLVKDONJSA-N 1 2 247.273 1.147 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000177509873 134298715 /nfs/dbraw/zinc/29/87/15/134298715.db2.gz NEGRVEVEBGDQHO-SNVBAGLBSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000177509873 134298716 /nfs/dbraw/zinc/29/87/16/134298716.db2.gz NEGRVEVEBGDQHO-SNVBAGLBSA-N 1 2 234.274 1.918 20 30 BDEDLO C=CCCN1CC[NH+](CCOCC)CC1 ZINC000337282301 135010410 /nfs/dbraw/zinc/01/04/10/135010410.db2.gz XDRBXMAJENIEKW-UHFFFAOYSA-N 1 2 212.337 1.217 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)CC(C)(C)C#N)CC2 ZINC000365981706 135030757 /nfs/dbraw/zinc/03/07/57/135030757.db2.gz VEZAWULKMBGVEY-UHFFFAOYSA-N 1 2 246.314 1.474 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000249892208 135047555 /nfs/dbraw/zinc/04/75/55/135047555.db2.gz SKMLLDXEHBDSTO-GHMZBOCLSA-N 1 2 225.336 1.383 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000249892208 135047558 /nfs/dbraw/zinc/04/75/58/135047558.db2.gz SKMLLDXEHBDSTO-GHMZBOCLSA-N 1 2 225.336 1.383 20 30 BDEDLO C=CCOCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000339197271 135065864 /nfs/dbraw/zinc/06/58/64/135065864.db2.gz YCPKAQKLHCAFEW-SNVBAGLBSA-N 1 2 235.274 1.545 20 30 BDEDLO C=CCOCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000339197271 135065866 /nfs/dbraw/zinc/06/58/66/135065866.db2.gz YCPKAQKLHCAFEW-SNVBAGLBSA-N 1 2 235.274 1.545 20 30 BDEDLO N#CCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339777238 135081882 /nfs/dbraw/zinc/08/18/82/135081882.db2.gz RKKWPIWYFFNIPB-LBPRGKRZSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339777238 135081884 /nfs/dbraw/zinc/08/18/84/135081884.db2.gz RKKWPIWYFFNIPB-LBPRGKRZSA-N 1 2 208.305 1.791 20 30 BDEDLO CCN(CCC#N)c1ncnc2c1C[N@H+](C)CC2 ZINC000268105029 135158034 /nfs/dbraw/zinc/15/80/34/135158034.db2.gz NSTYUQJAZGWQGF-UHFFFAOYSA-N 1 2 245.330 1.204 20 30 BDEDLO CCN(CCC#N)c1ncnc2c1C[N@@H+](C)CC2 ZINC000268105029 135158036 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CC#CC[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000339758053 487489454 /nfs/dbraw/zinc/48/94/54/487489454.db2.gz ZPTXYAZRYUKKLO-UHFFFAOYSA-N 1 2 241.294 1.452 20 30 BDEDLO CC#CCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000680463545 488184805 /nfs/dbraw/zinc/18/48/05/488184805.db2.gz QNWXVPJLRXRNHS-UHFFFAOYSA-N 1 2 242.282 1.869 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000683793302 488224089 /nfs/dbraw/zinc/22/40/89/488224089.db2.gz ZBMBMYDRWBAQMB-JTQLQIEISA-N 1 2 235.287 1.654 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000683793302 488224092 /nfs/dbraw/zinc/22/40/92/488224092.db2.gz ZBMBMYDRWBAQMB-JTQLQIEISA-N 1 2 235.287 1.654 20 30 BDEDLO C=CCOCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000679471239 488353255 /nfs/dbraw/zinc/35/32/55/488353255.db2.gz BQCQGUARRNUZQU-UHFFFAOYSA-N 1 2 248.330 1.913 20 30 BDEDLO C=CCOCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000679471239 488353258 /nfs/dbraw/zinc/35/32/58/488353258.db2.gz BQCQGUARRNUZQU-UHFFFAOYSA-N 1 2 248.330 1.913 20 30 BDEDLO C=CCOCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000679486561 488354498 /nfs/dbraw/zinc/35/44/98/488354498.db2.gz QUWIHEJGIKFEKG-UHFFFAOYSA-N 1 2 231.299 1.855 20 30 BDEDLO C#C[C@H]1COCCN1Cc1cccc2[nH+]ccn21 ZINC000491662795 491080096 /nfs/dbraw/zinc/08/00/96/491080096.db2.gz GBEQFNANGOOEMR-LBPRGKRZSA-N 1 2 241.294 1.168 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(CC)CC ZINC000491744274 491080407 /nfs/dbraw/zinc/08/04/07/491080407.db2.gz VWVCRESKEKTRMM-LBPRGKRZSA-N 1 2 234.343 1.248 20 30 BDEDLO C=C1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC000268612277 491074299 /nfs/dbraw/zinc/07/42/99/491074299.db2.gz ZZGMGRKDWHYUSB-UHFFFAOYSA-N 1 2 235.283 1.800 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)CC#N)CC1 ZINC001172792530 974942008 /nfs/dbraw/zinc/94/20/08/974942008.db2.gz SBVJKERQOZECFG-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)CC#N)CC1 ZINC001172792530 974942013 /nfs/dbraw/zinc/94/20/13/974942013.db2.gz SBVJKERQOZECFG-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 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/nfs/dbraw/zinc/84/97/50/534849750.db2.gz YXZUSERYNQSKCX-AWEZNQCLSA-N 1 2 233.311 1.952 20 30 BDEDLO C=CCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336404004 534864625 /nfs/dbraw/zinc/86/46/25/534864625.db2.gz DFYDFYHXJDXYHD-UHFFFAOYSA-N 1 2 229.283 1.798 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H](CC)C(C)C)C(=O)OC ZINC000361109565 534880573 /nfs/dbraw/zinc/88/05/73/534880573.db2.gz NGPSRWRRCCOWGT-RYUDHWBXSA-N 1 2 243.347 1.755 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C(N)=O)cs1 ZINC000490914361 526863967 /nfs/dbraw/zinc/86/39/67/526863967.db2.gz HVNGPUYICSHCFF-UHFFFAOYSA-N 1 2 246.335 1.306 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(C(N)=O)cs1 ZINC000490914361 526863970 /nfs/dbraw/zinc/86/39/70/526863970.db2.gz HVNGPUYICSHCFF-UHFFFAOYSA-N 1 2 246.335 1.306 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493082258 526985812 /nfs/dbraw/zinc/98/58/12/526985812.db2.gz HRCSLHWKNMKVEO-PLNGDYQASA-N 1 2 246.314 1.869 20 30 BDEDLO C=CC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812974 527017598 /nfs/dbraw/zinc/01/75/98/527017598.db2.gz OCRNXRPHSIFBAU-SSJHQANKSA-N 1 2 205.261 1.504 20 30 BDEDLO C=CCCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000488247750 527134485 /nfs/dbraw/zinc/13/44/85/527134485.db2.gz BZXLIXMJNJUZDH-UHFFFAOYSA-N 1 2 236.319 1.546 20 30 BDEDLO C=CCCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000488247750 527134491 /nfs/dbraw/zinc/13/44/91/527134491.db2.gz BZXLIXMJNJUZDH-UHFFFAOYSA-N 1 2 236.319 1.546 20 30 BDEDLO C=CCCCCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000488247750 527134497 /nfs/dbraw/zinc/13/44/97/527134497.db2.gz BZXLIXMJNJUZDH-UHFFFAOYSA-N 1 2 236.319 1.546 20 30 BDEDLO C=CCCCCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000488247750 527134501 /nfs/dbraw/zinc/13/45/01/527134501.db2.gz BZXLIXMJNJUZDH-UHFFFAOYSA-N 1 2 236.319 1.546 20 30 BDEDLO C=CCCCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000488104036 527138289 /nfs/dbraw/zinc/13/82/89/527138289.db2.gz LSJVFINRENQZGL-CYBMUJFWSA-N 1 2 241.331 1.655 20 30 BDEDLO C=CCCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493844893 527173019 /nfs/dbraw/zinc/17/30/19/527173019.db2.gz MSQSNLBNJHHGRM-VOTSOKGWSA-N 1 2 219.288 1.848 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000491661432 527320606 /nfs/dbraw/zinc/32/06/06/527320606.db2.gz KSTXOKAFBBFHGV-LBPRGKRZSA-N 1 2 248.330 1.326 20 30 BDEDLO CC[N@@H+](Cc1conc1C)C[C@@H](C)C#N ZINC000507583458 528881488 /nfs/dbraw/zinc/88/14/88/528881488.db2.gz PHKMQCGHSKBVRA-VIFPVBQESA-N 1 2 207.277 1.965 20 30 BDEDLO CC[N@H+](Cc1conc1C)C[C@@H](C)C#N ZINC000507583458 528881490 /nfs/dbraw/zinc/88/14/90/528881490.db2.gz PHKMQCGHSKBVRA-VIFPVBQESA-N 1 2 207.277 1.965 20 30 BDEDLO CCN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329745234 535650937 /nfs/dbraw/zinc/65/09/37/535650937.db2.gz RCKGSKXTVXVAAH-SECBINFHSA-N 1 2 248.330 1.665 20 30 BDEDLO CCN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329745234 535650943 /nfs/dbraw/zinc/65/09/43/535650943.db2.gz RCKGSKXTVXVAAH-SECBINFHSA-N 1 2 248.330 1.665 20 30 BDEDLO CC[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000177027252 535980688 /nfs/dbraw/zinc/98/06/88/535980688.db2.gz KQOPGXXERFIICJ-NSHDSACASA-N 1 2 222.288 1.766 20 30 BDEDLO CC[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000177027252 535980697 /nfs/dbraw/zinc/98/06/97/535980697.db2.gz KQOPGXXERFIICJ-NSHDSACASA-N 1 2 222.288 1.766 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)COCc1ccccc1 ZINC000072591406 536298473 /nfs/dbraw/zinc/29/84/73/536298473.db2.gz IAATZJYZZGZBBU-CQSZACIVSA-N 1 2 248.326 1.410 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)COCc1ccccc1 ZINC000072591406 536298477 /nfs/dbraw/zinc/29/84/77/536298477.db2.gz IAATZJYZZGZBBU-CQSZACIVSA-N 1 2 248.326 1.410 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N1CC(O)C1 ZINC000853257466 588729813 /nfs/dbraw/zinc/72/98/13/588729813.db2.gz BJNYIWXCVJEDHA-UHFFFAOYSA-N 1 2 232.283 1.055 20 30 BDEDLO Cc1[nH+]cc(C=NOCc2cccnc2)n1C ZINC000853322909 588732666 /nfs/dbraw/zinc/73/26/66/588732666.db2.gz IEDJZOMWVQVYKI-UHFFFAOYSA-N 1 2 230.271 1.674 20 30 BDEDLO Cc1[nH+]cc(C=NNCCC(F)(F)F)n1C ZINC000853341815 588735426 /nfs/dbraw/zinc/73/54/26/588735426.db2.gz WSEYLIKEHKLDJR-UHFFFAOYSA-N 1 2 234.225 1.604 20 30 BDEDLO CC1(C)C(=O)N(C[N@@H+]2CC[C@@](C)(C#N)C2)C1(C)C ZINC000853596746 588750060 /nfs/dbraw/zinc/75/00/60/588750060.db2.gz MJXIMLHSJGRMHQ-AWEZNQCLSA-N 1 2 249.358 1.826 20 30 BDEDLO CC1(C)C(=O)N(C[N@H+]2CC[C@@](C)(C#N)C2)C1(C)C ZINC000853596746 588750061 /nfs/dbraw/zinc/75/00/61/588750061.db2.gz MJXIMLHSJGRMHQ-AWEZNQCLSA-N 1 2 249.358 1.826 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000890550021 582472197 /nfs/dbraw/zinc/47/21/97/582472197.db2.gz RZJLKULZOCOJGF-HBNTYKKESA-N 1 2 231.299 1.690 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000890550021 582472198 /nfs/dbraw/zinc/47/21/98/582472198.db2.gz RZJLKULZOCOJGF-HBNTYKKESA-N 1 2 231.299 1.690 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000890654449 582493699 /nfs/dbraw/zinc/49/36/99/582493699.db2.gz CFHHHILGQVIHQG-DGCLKSJQSA-N 1 2 245.326 1.603 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000890654449 582493701 /nfs/dbraw/zinc/49/37/01/582493701.db2.gz CFHHHILGQVIHQG-DGCLKSJQSA-N 1 2 245.326 1.603 20 30 BDEDLO CC[N@H+](CC(=O)NC)Cc1csc(C#N)c1 ZINC000891612395 582702268 /nfs/dbraw/zinc/70/22/68/582702268.db2.gz ZCIQDUIRLVNBLG-UHFFFAOYSA-N 1 2 237.328 1.188 20 30 BDEDLO CC[N@@H+](CC(=O)NC)Cc1csc(C#N)c1 ZINC000891612395 582702271 /nfs/dbraw/zinc/70/22/71/582702271.db2.gz ZCIQDUIRLVNBLG-UHFFFAOYSA-N 1 2 237.328 1.188 20 30 BDEDLO CC[N@@H+](Cc1c2c(nn1C)CCC2)C[C@H](C)C#N ZINC000891716109 582712749 /nfs/dbraw/zinc/71/27/49/582712749.db2.gz LTIPISZQNDVAOC-LLVKDONJSA-N 1 2 246.358 1.890 20 30 BDEDLO CC[N@H+](Cc1c2c(nn1C)CCC2)C[C@H](C)C#N ZINC000891716109 582712750 /nfs/dbraw/zinc/71/27/50/582712750.db2.gz LTIPISZQNDVAOC-LLVKDONJSA-N 1 2 246.358 1.890 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cn(CC)nc1C ZINC000892058651 582778790 /nfs/dbraw/zinc/77/87/90/582778790.db2.gz BRGNOQKGYXQDMN-UHFFFAOYSA-N 1 2 215.300 1.280 20 30 BDEDLO C#CCN(CC#CC)Cc1[nH+]ccn1C1CC1 ZINC000892068993 582784272 /nfs/dbraw/zinc/78/42/72/582784272.db2.gz XCUVPMYFSQGCDM-UHFFFAOYSA-N 1 2 227.311 1.677 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C)c1C1CC1 ZINC000892068216 582785126 /nfs/dbraw/zinc/78/51/26/582785126.db2.gz HNHUKEZIFRBQBY-UHFFFAOYSA-N 1 2 241.338 1.756 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn(C)c1C1CC1 ZINC000892068216 582785127 /nfs/dbraw/zinc/78/51/27/582785127.db2.gz HNHUKEZIFRBQBY-UHFFFAOYSA-N 1 2 241.338 1.756 20 30 BDEDLO C=CCCONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000856027570 588855625 /nfs/dbraw/zinc/85/56/25/588855625.db2.gz RCNYOQXIHWDUML-VIFPVBQESA-N 1 2 223.276 1.212 20 30 BDEDLO C=CCCONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000856027570 588855626 /nfs/dbraw/zinc/85/56/26/588855626.db2.gz RCNYOQXIHWDUML-VIFPVBQESA-N 1 2 223.276 1.212 20 30 BDEDLO C=CCCONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000856036016 588858098 /nfs/dbraw/zinc/85/80/98/588858098.db2.gz RMUGHUBARVVZTJ-VIFPVBQESA-N 1 2 235.287 1.139 20 30 BDEDLO C=CCCONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000856036016 588858099 /nfs/dbraw/zinc/85/80/99/588858099.db2.gz RMUGHUBARVVZTJ-VIFPVBQESA-N 1 2 235.287 1.139 20 30 BDEDLO C#CCSCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000892641812 582936492 /nfs/dbraw/zinc/93/64/92/582936492.db2.gz ZXNXWCZFMFXHKI-SNVBAGLBSA-N 1 2 236.340 1.913 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856282129 588867116 /nfs/dbraw/zinc/86/71/16/588867116.db2.gz UVNTXFRYOZDBQW-JTQLQIEISA-N 1 2 233.315 1.647 20 30 BDEDLO CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000851974237 582988539 /nfs/dbraw/zinc/98/85/39/582988539.db2.gz VXIWLZXZSHYUGW-HBNTYKKESA-N 1 2 212.268 1.491 20 30 BDEDLO CO[C@@H]1CC[C@H]([N@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000851974237 582988541 /nfs/dbraw/zinc/98/85/41/582988541.db2.gz VXIWLZXZSHYUGW-HBNTYKKESA-N 1 2 212.268 1.491 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892891271 583005975 /nfs/dbraw/zinc/00/59/75/583005975.db2.gz HSUUPUJQGISKTN-ZJUUUORDSA-N 1 2 236.319 1.646 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892891271 583005977 /nfs/dbraw/zinc/00/59/77/583005977.db2.gz HSUUPUJQGISKTN-ZJUUUORDSA-N 1 2 236.319 1.646 20 30 BDEDLO C[C@]1(C#N)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893140798 583056442 /nfs/dbraw/zinc/05/64/42/583056442.db2.gz CNMIXIMORCGUAY-CYBMUJFWSA-N 1 2 241.298 1.859 20 30 BDEDLO Nc1[nH+]cccc1CON=C[C@H]1CCCO1 ZINC000853750252 583063865 /nfs/dbraw/zinc/06/38/65/583063865.db2.gz NBORCGVLHFGENO-SNVBAGLBSA-N 1 2 221.260 1.345 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000854702753 583091254 /nfs/dbraw/zinc/09/12/54/583091254.db2.gz YSLLHCOCPQIYPR-GFCCVEGCSA-N 1 2 219.288 1.260 20 30 BDEDLO Cn1nccc1[C@H](O)C1CC[NH+](CCC#N)CC1 ZINC000856803284 588878606 /nfs/dbraw/zinc/87/86/06/588878606.db2.gz CQXSWKABCCIVIF-CYBMUJFWSA-N 1 2 248.330 1.079 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000893543492 583159406 /nfs/dbraw/zinc/15/94/06/583159406.db2.gz DDAZGNGWCGMVMI-SNVBAGLBSA-N 1 2 218.304 1.857 20 30 BDEDLO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(Cl)n1 ZINC000857048364 588884390 /nfs/dbraw/zinc/88/43/90/588884390.db2.gz YZLZEAXMBUFPNX-UHFFFAOYSA-N 1 2 238.722 1.857 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H]1C#N ZINC000332744811 583300969 /nfs/dbraw/zinc/30/09/69/583300969.db2.gz DHKOHTYADYHRPQ-JQWIXIFHSA-N 1 2 246.314 1.161 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)C(=O)OC ZINC000877582592 583337563 /nfs/dbraw/zinc/33/75/63/583337563.db2.gz BMDORPORORYKEK-SDDRHHMPSA-N 1 2 241.331 1.202 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)C(=O)OC ZINC000877582594 583337618 /nfs/dbraw/zinc/33/76/18/583337618.db2.gz BMDORPORORYKEK-WOPDTQHZSA-N 1 2 241.331 1.202 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](CCC)C1 ZINC000878306639 583369901 /nfs/dbraw/zinc/36/99/01/583369901.db2.gz COZPAOCABQFWJM-VXGBXAGGSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](CCC)C1 ZINC000878306639 583369904 /nfs/dbraw/zinc/36/99/04/583369904.db2.gz COZPAOCABQFWJM-VXGBXAGGSA-N 1 2 241.331 1.605 20 30 BDEDLO C#CCC(CC#C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000857333977 588906227 /nfs/dbraw/zinc/90/62/27/588906227.db2.gz GDGCZMMMBVLQMV-LLVKDONJSA-N 1 2 243.310 1.260 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000894737518 583514592 /nfs/dbraw/zinc/51/45/92/583514592.db2.gz AVJMEUAUVNPMPZ-QMMMGPOBSA-N 1 2 238.312 1.431 20 30 BDEDLO C#CC[C@@H]([NH2+]CCCCC(C)C)C(=O)OC ZINC000894855078 583532442 /nfs/dbraw/zinc/53/24/42/583532442.db2.gz PKBGRASHKJTALG-GFCCVEGCSA-N 1 2 225.332 1.967 20 30 BDEDLO C#CCCCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000894971185 583561288 /nfs/dbraw/zinc/56/12/88/583561288.db2.gz AXXQBNSNRVDBEB-CYBMUJFWSA-N 1 2 241.331 1.084 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894988226 583565537 /nfs/dbraw/zinc/56/55/37/583565537.db2.gz YRQCROJELFWKJA-LOWDOPEQSA-N 1 2 235.327 1.720 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cnc1F ZINC000895105573 583589472 /nfs/dbraw/zinc/58/94/72/583589472.db2.gz AYWNNNZVCXAOEP-ZDUSSCGKSA-N 1 2 249.289 1.380 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cnc1F ZINC000895105573 583589474 /nfs/dbraw/zinc/58/94/74/583589474.db2.gz AYWNNNZVCXAOEP-ZDUSSCGKSA-N 1 2 249.289 1.380 20 30 BDEDLO Cn1cnc(C[NH+]2CCC(C#N)CC2)c1 ZINC000788013421 583616200 /nfs/dbraw/zinc/61/62/00/583616200.db2.gz RIXOPNXXKBKHMH-UHFFFAOYSA-N 1 2 204.277 1.156 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1cncc(Cl)n1 ZINC000727256662 583625567 /nfs/dbraw/zinc/62/55/67/583625567.db2.gz ZCJRVIDHORGVLI-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000857879404 588919581 /nfs/dbraw/zinc/91/95/81/588919581.db2.gz CAPNEFNMAVEEHI-CYBMUJFWSA-N 1 2 243.310 1.184 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000857879404 588919583 /nfs/dbraw/zinc/91/95/83/588919583.db2.gz CAPNEFNMAVEEHI-CYBMUJFWSA-N 1 2 243.310 1.184 20 30 BDEDLO C#CC1(F)CN(Cc2[nH+]ccn2C(C)C)C1 ZINC000895616269 583696699 /nfs/dbraw/zinc/69/66/99/583696699.db2.gz HKKLPAJMEDMAIN-UHFFFAOYSA-N 1 2 221.279 1.621 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H](C)COC(C)=O)C(=O)OC ZINC000895755241 583720675 /nfs/dbraw/zinc/72/06/75/583720675.db2.gz XUJIVAMDYMIRRI-MWLCHTKSSA-N 1 2 243.303 1.035 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857945312 588925104 /nfs/dbraw/zinc/92/51/04/588925104.db2.gz CUHGWAHNUKMSBE-LLVKDONJSA-N 1 2 245.326 1.364 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000895829060 583735410 /nfs/dbraw/zinc/73/54/10/583735410.db2.gz ZSIVPGBBPIKEKF-UHFFFAOYSA-N 1 2 249.358 1.930 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](OC)C2)cc1 ZINC000895969187 583754878 /nfs/dbraw/zinc/75/48/78/583754878.db2.gz YVWGQTUULDDFQF-CQSZACIVSA-N 1 2 231.295 1.473 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](OC)C2)cc1 ZINC000895969187 583754879 /nfs/dbraw/zinc/75/48/79/583754879.db2.gz YVWGQTUULDDFQF-CQSZACIVSA-N 1 2 231.295 1.473 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC#N)c[nH+]1 ZINC000895982388 583758126 /nfs/dbraw/zinc/75/81/26/583758126.db2.gz KIDFOCHGVNVJLT-VIFPVBQESA-N 1 2 234.303 1.345 20 30 BDEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979419 588927592 /nfs/dbraw/zinc/92/75/92/588927592.db2.gz OPDKAGVSOZSBLS-GFCCVEGCSA-N 1 2 241.294 1.107 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000862574387 583965037 /nfs/dbraw/zinc/96/50/37/583965037.db2.gz JIOIUPRUQAVEPD-LLVKDONJSA-N 1 2 231.299 1.214 20 30 BDEDLO C[C@@]1(C#N)C[N@H+](C[C@H]2CC=CCC2)CCO1 ZINC000897585206 584021864 /nfs/dbraw/zinc/02/18/64/584021864.db2.gz RSUVPTYNNSFSOJ-QWHCGFSZSA-N 1 2 220.316 1.957 20 30 BDEDLO C[C@@]1(C#N)C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000897585206 584021865 /nfs/dbraw/zinc/02/18/65/584021865.db2.gz RSUVPTYNNSFSOJ-QWHCGFSZSA-N 1 2 220.316 1.957 20 30 BDEDLO C[C@@]1(C#N)C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000897586235 584022144 /nfs/dbraw/zinc/02/21/44/584022144.db2.gz JGURZJHXUNMQRA-GHMZBOCLSA-N 1 2 226.345 1.354 20 30 BDEDLO C[C@@]1(C#N)C[N@@H+](C[C@H]2CCSC2)CCO1 ZINC000897586235 584022145 /nfs/dbraw/zinc/02/21/45/584022145.db2.gz JGURZJHXUNMQRA-GHMZBOCLSA-N 1 2 226.345 1.354 20 30 BDEDLO O=C1C=COC2(CC[NH+](Cc3cocn3)CC2)C1 ZINC000897599084 584025205 /nfs/dbraw/zinc/02/52/05/584025205.db2.gz ADQZSKNTZIPNLY-UHFFFAOYSA-N 1 2 248.282 1.512 20 30 BDEDLO C=CC(C)(C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898612694 584146263 /nfs/dbraw/zinc/14/62/63/584146263.db2.gz QRZYOITXBFNZEN-UHFFFAOYSA-N 1 2 222.292 1.184 20 30 BDEDLO C#CC1(F)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000899216285 584182582 /nfs/dbraw/zinc/18/25/82/584182582.db2.gz SPPVNEPJYQJVNC-UHFFFAOYSA-N 1 2 249.289 1.110 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(CC)nn1 ZINC000899337045 584197121 /nfs/dbraw/zinc/19/71/21/584197121.db2.gz ZXHGQMQISVWXCB-LBPRGKRZSA-N 1 2 220.320 1.839 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(CC)nn1 ZINC000899337045 584197122 /nfs/dbraw/zinc/19/71/22/584197122.db2.gz ZXHGQMQISVWXCB-LBPRGKRZSA-N 1 2 220.320 1.839 20 30 BDEDLO CCn1c[nH+]c(/C=C2/Cn3ccnc3C2=O)c1 ZINC000899381158 584210171 /nfs/dbraw/zinc/21/01/71/584210171.db2.gz VEXBUTSPJTZQQS-UITAMQMPSA-N 1 2 228.255 1.379 20 30 BDEDLO C=CC[N@@H+](Cc1cn(CC)nn1)[C@@H](C)COC ZINC000899883060 584246575 /nfs/dbraw/zinc/24/65/75/584246575.db2.gz URSPJBGIXYZNIQ-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1cn(CC)nn1)[C@@H](C)COC ZINC000899883060 584246577 /nfs/dbraw/zinc/24/65/77/584246577.db2.gz URSPJBGIXYZNIQ-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)c2cccc(C)c2)C1 ZINC000899899971 584248319 /nfs/dbraw/zinc/24/83/19/584248319.db2.gz FKHPZTHBXJUXSX-CYBMUJFWSA-N 1 2 203.285 1.900 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000899899843 584248427 /nfs/dbraw/zinc/24/84/27/584248427.db2.gz CRFHKOSMGXIRQL-GFCCVEGCSA-N 1 2 234.255 1.500 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000899900661 584249768 /nfs/dbraw/zinc/24/97/68/584249768.db2.gz QZIDNNBZSGGLPS-NSHDSACASA-N 1 2 206.289 1.303 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)NCCCCC#N ZINC000900574487 584327555 /nfs/dbraw/zinc/32/75/55/584327555.db2.gz RBEGICUJGWKWMA-UHFFFAOYSA-N 1 2 246.314 1.855 20 30 BDEDLO C#CCN(CC)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000858748048 588975911 /nfs/dbraw/zinc/97/59/11/588975911.db2.gz NHSNAMRIURNILV-LBPRGKRZSA-N 1 2 245.326 1.236 20 30 BDEDLO C=CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901335653 584426243 /nfs/dbraw/zinc/42/62/43/584426243.db2.gz FJQMHVOFDRIHDK-SNVBAGLBSA-N 1 2 221.304 1.813 20 30 BDEDLO C=CCCC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901335653 584426245 /nfs/dbraw/zinc/42/62/45/584426245.db2.gz FJQMHVOFDRIHDK-SNVBAGLBSA-N 1 2 221.304 1.813 20 30 BDEDLO C=CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901335652 584426476 /nfs/dbraw/zinc/42/64/76/584426476.db2.gz FJQMHVOFDRIHDK-JTQLQIEISA-N 1 2 221.304 1.813 20 30 BDEDLO C=CCCC[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901335652 584426478 /nfs/dbraw/zinc/42/64/78/584426478.db2.gz FJQMHVOFDRIHDK-JTQLQIEISA-N 1 2 221.304 1.813 20 30 BDEDLO Cn1cc2c(n1)CC/C(=C/c1c[nH+]cn1C)C2=O ZINC000901507836 584456469 /nfs/dbraw/zinc/45/64/69/584456469.db2.gz NCSVKSLXSVTXJC-UITAMQMPSA-N 1 2 242.282 1.366 20 30 BDEDLO C/N=C1/NC(=O)/C(=C\c2cn(C3CC3)c[nH+]2)S1 ZINC000901541742 584461151 /nfs/dbraw/zinc/46/11/51/584461151.db2.gz YGGPGKQSIDDQIS-RUDMXATFSA-N 1 2 248.311 1.408 20 30 BDEDLO C#CCCOC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000858943398 588986664 /nfs/dbraw/zinc/98/66/64/588986664.db2.gz JUQOLFPHNIZHCN-GFCCVEGCSA-N 1 2 247.298 1.680 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)c2cocc2C)CC1 ZINC000859003868 588989960 /nfs/dbraw/zinc/98/99/60/588989960.db2.gz WCUNTBKZTUUFFZ-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO CC1(C#N)CC[NH+](CN2C[C@@H]3C[C@@H]3C2=O)CC1 ZINC000902219662 584539872 /nfs/dbraw/zinc/53/98/72/584539872.db2.gz YTNJSZUUFQUPMS-QWRGUYRKSA-N 1 2 233.315 1.048 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902227831 584541937 /nfs/dbraw/zinc/54/19/37/584541937.db2.gz CNSYBYHHUGNFMM-NWDGAFQWSA-N 1 2 238.331 1.089 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902227831 584541940 /nfs/dbraw/zinc/54/19/40/584541940.db2.gz CNSYBYHHUGNFMM-NWDGAFQWSA-N 1 2 238.331 1.089 20 30 BDEDLO C#CC[N@H+](CN1Cc2ccccc2C1=O)C(C)C ZINC000902385450 584578085 /nfs/dbraw/zinc/57/80/85/584578085.db2.gz VIETXHSUIDXQTG-UHFFFAOYSA-N 1 2 242.322 1.944 20 30 BDEDLO C#CC[N@@H+](CN1Cc2ccccc2C1=O)C(C)C ZINC000902385450 584578086 /nfs/dbraw/zinc/57/80/86/584578086.db2.gz VIETXHSUIDXQTG-UHFFFAOYSA-N 1 2 242.322 1.944 20 30 BDEDLO C=CC(C)(C)Cc1nc(C[NH2+]CC)no1 ZINC000904074803 584839830 /nfs/dbraw/zinc/83/98/30/584839830.db2.gz AAPHYRGTSAKPTL-UHFFFAOYSA-N 1 2 209.293 1.934 20 30 BDEDLO Cc1nn(C)c(C)c1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000731158657 584923023 /nfs/dbraw/zinc/92/30/23/584923023.db2.gz GCZGQFASADTZAP-PLNGDYQASA-N 1 2 230.271 1.656 20 30 BDEDLO CC(=NNC12CC(C1)C2)c1cn(C)c(C)[nH+]1 ZINC000842547656 584941736 /nfs/dbraw/zinc/94/17/36/584941736.db2.gz UXAPXTITUYHLHR-UHFFFAOYSA-N 1 2 218.304 1.595 20 30 BDEDLO CON=C(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612392 584980143 /nfs/dbraw/zinc/98/01/43/584980143.db2.gz JINCTDKZADOOQI-CQSZACIVSA-N 1 2 248.326 1.910 20 30 BDEDLO CON=C(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612392 584980144 /nfs/dbraw/zinc/98/01/44/584980144.db2.gz JINCTDKZADOOQI-CQSZACIVSA-N 1 2 248.326 1.910 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@@H](C)c1ccncc1 ZINC000819819005 585008445 /nfs/dbraw/zinc/00/84/45/585008445.db2.gz RALDWYFAVLWWCP-NSHDSACASA-N 1 2 243.314 1.983 20 30 BDEDLO C#CCCCC(=O)OCc1ccc[nH+]c1N(C)C ZINC000838953691 585080669 /nfs/dbraw/zinc/08/06/69/585080669.db2.gz HFVCGEOWXTXPST-UHFFFAOYSA-N 1 2 246.310 1.994 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(=O)OC ZINC000839167127 585095279 /nfs/dbraw/zinc/09/52/79/585095279.db2.gz CETIQMHKICDUOV-UTUOFQBUSA-N 1 2 221.300 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OC ZINC000839166927 585095419 /nfs/dbraw/zinc/09/54/19/585095419.db2.gz BHHWDSUTUZTVRV-JQWIXIFHSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)OC ZINC000839167089 585095481 /nfs/dbraw/zinc/09/54/81/585095481.db2.gz CLZQZYDWEJNKET-LOWDOPEQSA-N 1 2 237.343 1.966 20 30 BDEDLO CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000750608115 585217761 /nfs/dbraw/zinc/21/77/61/585217761.db2.gz OKNJEWIAJSDHLO-UHFFFAOYSA-N 1 2 231.299 1.409 20 30 BDEDLO COC[C@H](C)CN=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753927821 585272295 /nfs/dbraw/zinc/27/22/95/585272295.db2.gz GBZXMGNIEOZCRF-VWYCJHECSA-N 1 2 238.335 1.115 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NO[C@@H]1CCCCO1 ZINC000755820755 585307095 /nfs/dbraw/zinc/30/70/95/585307095.db2.gz YJJOFHRRFUNQNN-SNVBAGLBSA-N 1 2 209.249 1.595 20 30 BDEDLO C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758219462 585352117 /nfs/dbraw/zinc/35/21/17/585352117.db2.gz HJKDXNPQIAMGLU-SNVBAGLBSA-N 1 2 249.339 1.115 20 30 BDEDLO C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758219462 585352118 /nfs/dbraw/zinc/35/21/18/585352118.db2.gz HJKDXNPQIAMGLU-SNVBAGLBSA-N 1 2 249.339 1.115 20 30 BDEDLO C#CCCCC(=O)NCCCCn1cc[nH+]c1 ZINC000760329375 585390224 /nfs/dbraw/zinc/39/02/24/585390224.db2.gz LNJZXEQTTSYMQM-UHFFFAOYSA-N 1 2 233.315 1.583 20 30 BDEDLO C#CCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000760362755 585391540 /nfs/dbraw/zinc/39/15/40/585391540.db2.gz RTCGVWJGCZSXSR-UHFFFAOYSA-N 1 2 218.256 1.565 20 30 BDEDLO C#CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000760624009 585394825 /nfs/dbraw/zinc/39/48/25/585394825.db2.gz UXIDXXGJNDLYMS-UHFFFAOYSA-N 1 2 233.315 1.317 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccc(F)c1O ZINC000790301011 585402579 /nfs/dbraw/zinc/40/25/79/585402579.db2.gz AKEMIPDVJNZVLH-UHFFFAOYSA-N 1 2 234.234 1.711 20 30 BDEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1O ZINC000790301855 585402993 /nfs/dbraw/zinc/40/29/93/585402993.db2.gz KDPZWGHOXBPVAO-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO C#CCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762043343 585425187 /nfs/dbraw/zinc/42/51/87/585425187.db2.gz MDMKWJIQCUKJAL-UHFFFAOYSA-N 1 2 242.282 1.157 20 30 BDEDLO N#CC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CCCC1 ZINC000763688580 585452267 /nfs/dbraw/zinc/45/22/67/585452267.db2.gz SUNSFCOAKGOPDI-LBPRGKRZSA-N 1 2 248.326 1.850 20 30 BDEDLO N#CC[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CCCC1 ZINC000763688580 585452268 /nfs/dbraw/zinc/45/22/68/585452268.db2.gz SUNSFCOAKGOPDI-LBPRGKRZSA-N 1 2 248.326 1.850 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000767438990 585520426 /nfs/dbraw/zinc/52/04/26/585520426.db2.gz AYPCYGNSGSCFHH-SNVBAGLBSA-N 1 2 227.271 1.120 20 30 BDEDLO C#CCC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000768033701 585529758 /nfs/dbraw/zinc/52/97/58/585529758.db2.gz MKRZPXDIKFOPNR-UHFFFAOYSA-N 1 2 219.288 1.418 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000769975709 585567872 /nfs/dbraw/zinc/56/78/72/585567872.db2.gz IYGNUOZTXVSRAS-SNVBAGLBSA-N 1 2 242.282 1.585 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000769975709 585567873 /nfs/dbraw/zinc/56/78/73/585567873.db2.gz IYGNUOZTXVSRAS-SNVBAGLBSA-N 1 2 242.282 1.585 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCc1cnccn1 ZINC000771466136 585594605 /nfs/dbraw/zinc/59/46/05/585594605.db2.gz ZYNDFZXXGNEOSM-UHFFFAOYSA-N 1 2 211.696 1.703 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCc1cnccn1 ZINC000771466136 585594606 /nfs/dbraw/zinc/59/46/06/585594606.db2.gz ZYNDFZXXGNEOSM-UHFFFAOYSA-N 1 2 211.696 1.703 20 30 BDEDLO CCCCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000771811566 585600804 /nfs/dbraw/zinc/60/08/04/585600804.db2.gz GHJPIICGUHDWAJ-UHFFFAOYSA-N 1 2 238.335 1.770 20 30 BDEDLO CCCCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000771811566 585600805 /nfs/dbraw/zinc/60/08/05/585600805.db2.gz GHJPIICGUHDWAJ-UHFFFAOYSA-N 1 2 238.335 1.770 20 30 BDEDLO CCCCCCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000771811566 585600806 /nfs/dbraw/zinc/60/08/06/585600806.db2.gz GHJPIICGUHDWAJ-UHFFFAOYSA-N 1 2 238.335 1.770 20 30 BDEDLO CCCCCCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000771811566 585600807 /nfs/dbraw/zinc/60/08/07/585600807.db2.gz GHJPIICGUHDWAJ-UHFFFAOYSA-N 1 2 238.335 1.770 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000773428321 585636702 /nfs/dbraw/zinc/63/67/02/585636702.db2.gz YMNANWAMDOFWIM-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC000773428321 585636703 /nfs/dbraw/zinc/63/67/03/585636703.db2.gz YMNANWAMDOFWIM-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO Cc1ccc(NC(=O)CC#N)c(N(C)C)[nH+]1 ZINC000773473823 585637750 /nfs/dbraw/zinc/63/77/50/585637750.db2.gz FBRZTMXFOMDOEQ-UHFFFAOYSA-N 1 2 218.260 1.308 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NOC1CCOCC1 ZINC000774453970 585659489 /nfs/dbraw/zinc/65/94/89/585659489.db2.gz UMLRINUDXGQMEI-UHFFFAOYSA-N 1 2 209.249 1.248 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nccn1C)[C@H]1CCCO1 ZINC000775571373 585680223 /nfs/dbraw/zinc/68/02/23/585680223.db2.gz GKSKMIBLANUYJS-GRYCIOLGSA-N 1 2 233.315 1.252 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cn(C)nc1CC ZINC000775708751 585683486 /nfs/dbraw/zinc/68/34/86/585683486.db2.gz OHIALBPUTDJPOO-UHFFFAOYSA-N 1 2 229.327 1.441 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cn(C)nc1CC ZINC000775708751 585683487 /nfs/dbraw/zinc/68/34/87/585683487.db2.gz OHIALBPUTDJPOO-UHFFFAOYSA-N 1 2 229.327 1.441 20 30 BDEDLO C#CCCN1CC[NH+]([C@@H](C)C#CCC)CC1 ZINC000776594204 585702204 /nfs/dbraw/zinc/70/22/04/585702204.db2.gz YRIVMRPNRBBGKQ-AWEZNQCLSA-N 1 2 218.344 1.429 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN1CCCNC1=O ZINC000776735286 585703603 /nfs/dbraw/zinc/70/36/03/585703603.db2.gz ZEIGIGXDOPDMRL-UHFFFAOYSA-N 1 2 246.314 1.724 20 30 BDEDLO CN(C)c1ccc(C=[NH+]N2CCCNC2=O)cc1 ZINC000777898136 585723114 /nfs/dbraw/zinc/72/31/14/585723114.db2.gz HZWMSNDERKJYDM-UHFFFAOYSA-N 1 2 246.314 1.502 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1cc(Cl)ccn1 ZINC000777905154 585723521 /nfs/dbraw/zinc/72/35/21/585723521.db2.gz CLQPLFORWLDORN-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094592 585745117 /nfs/dbraw/zinc/74/51/17/585745117.db2.gz CYUNNLPVKXOQDZ-NSHDSACASA-N 1 2 245.326 1.364 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2c(F)cccc2F)cn1 ZINC000781594660 585799834 /nfs/dbraw/zinc/79/98/34/585799834.db2.gz PDHXMOGNJROHMF-UHFFFAOYSA-N 1 2 249.224 1.783 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000782312823 585814944 /nfs/dbraw/zinc/81/49/44/585814944.db2.gz HNFZNHRJZWUSOR-MRVPVSSYSA-N 1 2 226.251 1.498 20 30 BDEDLO C=CCCOCC(=O)OCCCn1cc[nH+]c1 ZINC000783198967 585830328 /nfs/dbraw/zinc/83/03/28/585830328.db2.gz MEBLEBFRXXPCOX-UHFFFAOYSA-N 1 2 238.287 1.409 20 30 BDEDLO C=CCNC(=S)Nc1cc(N(C)C)cc[nH+]1 ZINC000783764992 585842593 /nfs/dbraw/zinc/84/25/93/585842593.db2.gz XGBPNVRUUONCQD-UHFFFAOYSA-N 1 2 236.344 1.620 20 30 BDEDLO COC[C@H](C#N)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000785319439 585872513 /nfs/dbraw/zinc/87/25/13/585872513.db2.gz GEEOSLFHDMOMEO-JTQLQIEISA-N 1 2 245.238 1.030 20 30 BDEDLO C=CCC[N@@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000786100853 585887004 /nfs/dbraw/zinc/88/70/04/585887004.db2.gz FHMHWKSGECFLNA-UHFFFAOYSA-N 1 2 242.344 1.926 20 30 BDEDLO C=CCC[N@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000786100853 585887005 /nfs/dbraw/zinc/88/70/05/585887005.db2.gz FHMHWKSGECFLNA-UHFFFAOYSA-N 1 2 242.344 1.926 20 30 BDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn[nH]c2)n1 ZINC000789761857 585949529 /nfs/dbraw/zinc/94/95/29/585949529.db2.gz MCWSNZIIJVPAGZ-UHFFFAOYSA-N 1 2 243.314 1.262 20 30 BDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn[nH]c2)n1 ZINC000789761857 585949530 /nfs/dbraw/zinc/94/95/30/585949530.db2.gz MCWSNZIIJVPAGZ-UHFFFAOYSA-N 1 2 243.314 1.262 20 30 BDEDLO Cc1cc(N=NC(C)c2[nH]cc[nH+]2)ncn1 ZINC000790164032 585958953 /nfs/dbraw/zinc/95/89/53/585958953.db2.gz JNDNHYOHPXTFRR-UHFFFAOYSA-N 1 2 216.248 1.344 20 30 BDEDLO Cc1[nH]c[nH+]c1CN=Nc1ncccc1C ZINC000790193093 585960815 /nfs/dbraw/zinc/96/08/15/585960815.db2.gz SGHXSLHQYMNHGZ-UHFFFAOYSA-N 1 2 215.260 1.868 20 30 BDEDLO COc1ccc(C=NNc2[nH+]ccn2C)s1 ZINC000790300370 585962630 /nfs/dbraw/zinc/96/26/30/585962630.db2.gz VPWYWFODGOBHCF-UHFFFAOYSA-N 1 2 236.300 1.936 20 30 BDEDLO Cc1noc(C)c1C=NNc1[nH+]ccn1C ZINC000790301521 585962899 /nfs/dbraw/zinc/96/28/99/585962899.db2.gz FGOJJTXQTLHMPP-UHFFFAOYSA-N 1 2 219.248 1.471 20 30 BDEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790301744 585963198 /nfs/dbraw/zinc/96/31/98/585963198.db2.gz HTHIQXQLPHUKPD-UHFFFAOYSA-N 1 2 230.271 1.875 20 30 BDEDLO COc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790306507 585963378 /nfs/dbraw/zinc/96/33/78/585963378.db2.gz ZLZQYELNCVUXFW-UHFFFAOYSA-N 1 2 230.271 1.875 20 30 BDEDLO NC(=[NH+]OCc1ncccn1)c1ccc(F)cc1 ZINC000790488855 585965600 /nfs/dbraw/zinc/96/56/00/585965600.db2.gz GSXPZHUOKUMFCI-UHFFFAOYSA-N 1 2 246.245 1.453 20 30 BDEDLO C#CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000790971273 585971215 /nfs/dbraw/zinc/97/12/15/585971215.db2.gz SOEQGWBGMRSJLY-UHFFFAOYSA-N 1 2 213.240 1.040 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)c1cccc2[nH+]ccn21 ZINC000791751626 585987359 /nfs/dbraw/zinc/98/73/59/585987359.db2.gz VVRNYDIEYUHRQE-NSHDSACASA-N 1 2 241.294 1.866 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000791745191 585987395 /nfs/dbraw/zinc/98/73/95/585987395.db2.gz KFHTWOMNTFIPFX-VXGBXAGGSA-N 1 2 245.326 1.364 20 30 BDEDLO C[C@H]([NH2+]NC1=CC(=O)N2CCC[C@@H]12)C(C)(C)C ZINC000793116944 586011056 /nfs/dbraw/zinc/01/10/56/586011056.db2.gz VSSADHXYWVUNMR-ONGXEEELSA-N 1 2 237.347 1.761 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C#N)[nH]1 ZINC000793248748 586015076 /nfs/dbraw/zinc/01/50/76/586015076.db2.gz CWYUJNAPYGUKOV-UHFFFAOYSA-N 1 2 244.254 1.019 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2cn(C)c[nH+]2)o1 ZINC000794495339 586040891 /nfs/dbraw/zinc/04/08/91/586040891.db2.gz ROHMDNVXPLAABU-UHFFFAOYSA-N 1 2 230.231 1.034 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CC)no1 ZINC000794579034 586044936 /nfs/dbraw/zinc/04/49/36/586044936.db2.gz PTKXFAREYRBDTD-UHFFFAOYSA-N 1 2 207.277 1.476 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CC)no1 ZINC000794579034 586044937 /nfs/dbraw/zinc/04/49/37/586044937.db2.gz PTKXFAREYRBDTD-UHFFFAOYSA-N 1 2 207.277 1.476 20 30 BDEDLO Cn1c(CC#N)nn(C[NH+]2CCCC2)c1=S ZINC000794617291 586045902 /nfs/dbraw/zinc/04/59/02/586045902.db2.gz VKRLDLYZEMTJQF-UHFFFAOYSA-N 1 2 237.332 1.070 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2cncnc2)cn1C ZINC000794972248 586059626 /nfs/dbraw/zinc/05/96/26/586059626.db2.gz NDEVBHIZLJECFW-UHFFFAOYSA-N 1 2 230.275 1.355 20 30 BDEDLO C=CCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000794999020 586063434 /nfs/dbraw/zinc/06/34/34/586063434.db2.gz SXJCJFNCBCNSEU-UHFFFAOYSA-N 1 2 230.315 1.813 20 30 BDEDLO CC1=C[C@@H](C)C[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000797416071 586126724 /nfs/dbraw/zinc/12/67/24/586126724.db2.gz GLSJNHCFDSZGLO-LLVKDONJSA-N 1 2 243.310 1.575 20 30 BDEDLO CC1=C[C@@H](C)C[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000797416071 586126725 /nfs/dbraw/zinc/12/67/25/586126725.db2.gz GLSJNHCFDSZGLO-LLVKDONJSA-N 1 2 243.310 1.575 20 30 BDEDLO C#CCn1cc(CNc2cc[nH+]c(C)n2)cn1 ZINC000798214489 586140985 /nfs/dbraw/zinc/14/09/85/586140985.db2.gz FXIXHSFLHNFOCC-UHFFFAOYSA-N 1 2 227.271 1.227 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc(Cl)cn1 ZINC000799168649 586164637 /nfs/dbraw/zinc/16/46/37/586164637.db2.gz VGQFUDHHYKCVGL-MRVPVSSYSA-N 1 2 209.680 1.584 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc(Cl)cn1 ZINC000799168649 586164639 /nfs/dbraw/zinc/16/46/39/586164639.db2.gz VGQFUDHHYKCVGL-MRVPVSSYSA-N 1 2 209.680 1.584 20 30 BDEDLO CC[C@@H](C)[NH2+]NC1=CC(=O)N2CCCC[C@H]12 ZINC000799485907 586180170 /nfs/dbraw/zinc/18/01/70/586180170.db2.gz PIKZBTGJIYIPOE-MWLCHTKSSA-N 1 2 223.320 1.515 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000800336435 586212326 /nfs/dbraw/zinc/21/23/26/586212326.db2.gz OHOGGOMKQPCYTG-GFCCVEGCSA-N 1 2 249.314 1.317 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cscn2)c1 ZINC000800794813 586229063 /nfs/dbraw/zinc/22/90/63/586229063.db2.gz QSPMCCAZQWJGHM-NSCUHMNNSA-N 1 2 219.269 1.773 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(O)cc2O)c1 ZINC000800794695 586229449 /nfs/dbraw/zinc/22/94/49/586229449.db2.gz NSYGFVYOHQCXKE-GORDUTHDSA-N 1 2 244.250 1.727 20 30 BDEDLO CC#CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000801150205 586243383 /nfs/dbraw/zinc/24/33/83/586243383.db2.gz NHFAARUMSNAXGO-NSHDSACASA-N 1 2 217.272 1.070 20 30 BDEDLO CC#CC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000801303768 586252576 /nfs/dbraw/zinc/25/25/76/586252576.db2.gz GBRULODGWMLQCV-UHFFFAOYSA-N 1 2 243.310 1.062 20 30 BDEDLO O=C(NO)c1ccccc1Oc1cc[nH+]cc1 ZINC000801602762 586265811 /nfs/dbraw/zinc/26/58/11/586265811.db2.gz YKQXUZQJTZFLDB-UHFFFAOYSA-N 1 2 230.223 1.993 20 30 BDEDLO C[C@H](C#N)OCCO[NH+]=C(N)Cc1cccnc1 ZINC000802731356 586311297 /nfs/dbraw/zinc/31/12/97/586311297.db2.gz MMLOBUYBFPBFQA-SNVBAGLBSA-N 1 2 248.286 1.051 20 30 BDEDLO C#CCCCC(=O)OC1C[NH+](CCOCC)C1 ZINC000802776082 586314558 /nfs/dbraw/zinc/31/45/58/586314558.db2.gz PVNHWBIYOZBKMG-UHFFFAOYSA-N 1 2 239.315 1.054 20 30 BDEDLO N#CCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859585948 589047648 /nfs/dbraw/zinc/04/76/48/589047648.db2.gz XYKAZYKOHIDOSK-CQSZACIVSA-N 1 2 230.311 1.884 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859585948 589047649 /nfs/dbraw/zinc/04/76/49/589047649.db2.gz XYKAZYKOHIDOSK-CQSZACIVSA-N 1 2 230.311 1.884 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000808753905 586487782 /nfs/dbraw/zinc/48/77/82/586487782.db2.gz BFWREWDBZMRYHA-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000808753905 586487783 /nfs/dbraw/zinc/48/77/83/586487783.db2.gz BFWREWDBZMRYHA-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000809645500 586510881 /nfs/dbraw/zinc/51/08/81/586510881.db2.gz VZUXIVFUVOEBQM-LBPRGKRZSA-N 1 2 242.322 1.330 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000809645500 586510882 /nfs/dbraw/zinc/51/08/82/586510882.db2.gz VZUXIVFUVOEBQM-LBPRGKRZSA-N 1 2 242.322 1.330 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(C)on1)[C@@H]1CCCO1 ZINC000810236805 586537617 /nfs/dbraw/zinc/53/76/17/586537617.db2.gz NQADTYSBSLQYNJ-GVXVVHGQSA-N 1 2 234.299 1.814 20 30 BDEDLO Cc1cccc(CN[NH+]=Cc2cn(C)[nH]c2=O)c1 ZINC000814223766 586618132 /nfs/dbraw/zinc/61/81/32/586618132.db2.gz OZCFPKKIBBLUBM-UHFFFAOYSA-N 1 2 244.298 1.558 20 30 BDEDLO C[C@@H](N[NH+]=Cc1cn(C)[nH]c1=O)C(C)(C)C ZINC000814229008 586618486 /nfs/dbraw/zinc/61/84/86/586618486.db2.gz PGZPHBKXYNBNHB-MRVPVSSYSA-N 1 2 224.308 1.484 20 30 BDEDLO CN(C)c1ncc(C=[NH+]NCC(F)(F)F)cn1 ZINC000814904513 586647423 /nfs/dbraw/zinc/64/74/23/586647423.db2.gz MJWFZSXVJWBDBA-UHFFFAOYSA-N 1 2 247.224 1.028 20 30 BDEDLO OCCN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000814943898 586657474 /nfs/dbraw/zinc/65/74/74/586657474.db2.gz MWPGRFLAIVUEGJ-UHFFFAOYSA-N 1 2 237.303 1.186 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000815111867 586667128 /nfs/dbraw/zinc/66/71/28/586667128.db2.gz FXZFEFVETCDWGQ-BBBLOLIVSA-N 1 2 230.258 1.645 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000815111867 586667130 /nfs/dbraw/zinc/66/71/30/586667130.db2.gz FXZFEFVETCDWGQ-BBBLOLIVSA-N 1 2 230.258 1.645 20 30 BDEDLO C#CCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816719367 586759990 /nfs/dbraw/zinc/75/99/90/586759990.db2.gz XSMBIRIKYHYEOQ-SECBINFHSA-N 1 2 205.261 1.390 20 30 BDEDLO O=C(Cc1[nH]cc[nH+]1)NCC#Cc1ccccc1 ZINC000816838145 586767419 /nfs/dbraw/zinc/76/74/19/586767419.db2.gz SLDXAAFZYXXASV-UHFFFAOYSA-N 1 2 239.278 1.120 20 30 BDEDLO C#C[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817163755 586784340 /nfs/dbraw/zinc/78/43/40/586784340.db2.gz AHCUEWJQHCSVBJ-SECBINFHSA-N 1 2 231.299 1.519 20 30 BDEDLO COC[C@@H](C)NN=Cc1c[nH+]cn1C(C)C ZINC000819813249 586997815 /nfs/dbraw/zinc/99/78/15/586997815.db2.gz UZVHDPRFJIHWON-SNVBAGLBSA-N 1 2 224.308 1.422 20 30 BDEDLO C#CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000819987194 587011151 /nfs/dbraw/zinc/01/11/51/587011151.db2.gz QNLPMGNHFSFVQX-LBPRGKRZSA-N 1 2 233.315 1.610 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000820435463 587049054 /nfs/dbraw/zinc/04/90/54/587049054.db2.gz JJECSZJZRXLOOP-QWRGUYRKSA-N 1 2 246.314 1.668 20 30 BDEDLO C#CC[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000820580828 587055886 /nfs/dbraw/zinc/05/58/86/587055886.db2.gz FBRWYBNSJQZOFN-LLVKDONJSA-N 1 2 231.299 1.459 20 30 BDEDLO C=C(CC)CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822012943 587149129 /nfs/dbraw/zinc/14/91/29/587149129.db2.gz SSZNBNSGBYRJRL-AATRIKPKSA-N 1 2 219.288 1.516 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000822361362 587164369 /nfs/dbraw/zinc/16/43/69/587164369.db2.gz YCRWQUNBRWQNGR-NSHDSACASA-N 1 2 235.331 1.681 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000823306457 587215663 /nfs/dbraw/zinc/21/56/63/587215663.db2.gz UGRJZFLCXCMLQI-DZGCQCFKSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[N@@H+](Cc1nn(CC)nc1C)C1CCCC1 ZINC000823477859 587225245 /nfs/dbraw/zinc/22/52/45/587225245.db2.gz YHIUZVNISMXDHH-UHFFFAOYSA-N 1 2 246.358 1.984 20 30 BDEDLO C#CC[N@H+](Cc1nn(CC)nc1C)C1CCCC1 ZINC000823477859 587225246 /nfs/dbraw/zinc/22/52/46/587225246.db2.gz YHIUZVNISMXDHH-UHFFFAOYSA-N 1 2 246.358 1.984 20 30 BDEDLO C#CCN(CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000823810041 587241209 /nfs/dbraw/zinc/24/12/09/587241209.db2.gz FYTYEJSHDVLODW-JTQLQIEISA-N 1 2 234.303 1.146 20 30 BDEDLO C=CC[NH+](CC=C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000823903991 587245825 /nfs/dbraw/zinc/24/58/25/587245825.db2.gz QLVSYILZQSPDAQ-UHFFFAOYSA-N 1 2 245.286 1.634 20 30 BDEDLO CC(C)C#CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000824855427 587290808 /nfs/dbraw/zinc/29/08/08/587290808.db2.gz KCENBUVKSQAYDT-UHFFFAOYSA-N 1 2 245.326 1.706 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)CC)CC1 ZINC000825077739 587302829 /nfs/dbraw/zinc/30/28/29/587302829.db2.gz GWYFJTMHHVPJPB-UHFFFAOYSA-N 1 2 244.285 1.199 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000827884791 587407674 /nfs/dbraw/zinc/40/76/74/587407674.db2.gz IBCXJIUHKKGCKH-UHFFFAOYSA-N 1 2 238.294 1.344 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000827884791 587407676 /nfs/dbraw/zinc/40/76/76/587407676.db2.gz IBCXJIUHKKGCKH-UHFFFAOYSA-N 1 2 238.294 1.344 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1ccncc1C#N ZINC000828434138 587442107 /nfs/dbraw/zinc/44/21/07/587442107.db2.gz NNQWSOXTLLWUFU-UHFFFAOYSA-N 1 2 213.284 1.797 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ccncc1C#N ZINC000828434138 587442109 /nfs/dbraw/zinc/44/21/09/587442109.db2.gz NNQWSOXTLLWUFU-UHFFFAOYSA-N 1 2 213.284 1.797 20 30 BDEDLO C#CC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000830305469 587545208 /nfs/dbraw/zinc/54/52/08/587545208.db2.gz OIPZYUQYJQKQKE-UHFFFAOYSA-N 1 2 231.299 1.792 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C(=O)OCCC ZINC000831828775 587633213 /nfs/dbraw/zinc/63/32/13/587633213.db2.gz BKDKHTBKDYQTFP-TUAOUCFPSA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@H]([NH2+][C@H]1CCn2ccnc21)[C@H]1CCCO1 ZINC000834770532 587766486 /nfs/dbraw/zinc/76/64/86/587766486.db2.gz VIYWBYPHUUAXFF-SDDRHHMPSA-N 1 2 231.299 1.098 20 30 BDEDLO C=CCCCCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836404158 587832494 /nfs/dbraw/zinc/83/24/94/587832494.db2.gz YZBJRZMHTNZOPC-NSHDSACASA-N 1 2 248.330 1.983 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@@H]1CCSC1 ZINC000841638841 587964617 /nfs/dbraw/zinc/96/46/17/587964617.db2.gz ZHYULKMBSFVFGR-SECBINFHSA-N 1 2 224.333 1.332 20 30 BDEDLO CC[C@@H](CO[NH+]=C(N)c1ccc(F)cc1)OC ZINC000842019490 587988967 /nfs/dbraw/zinc/98/89/67/587988967.db2.gz PJJJAFHODRWWIW-NSHDSACASA-N 1 2 240.278 1.888 20 30 BDEDLO C#CC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000842634355 588047882 /nfs/dbraw/zinc/04/78/82/588047882.db2.gz VRHTXTWDHCBJAX-UHFFFAOYSA-N 1 2 223.707 1.839 20 30 BDEDLO C#CCCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655357 588049939 /nfs/dbraw/zinc/04/99/39/588049939.db2.gz FEDVLHBAFAHDLQ-LLVKDONJSA-N 1 2 240.303 1.094 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000844138591 588170012 /nfs/dbraw/zinc/17/00/12/588170012.db2.gz IMQMQJLMLBTWMX-NSHDSACASA-N 1 2 243.310 1.070 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000844321311 588184329 /nfs/dbraw/zinc/18/43/29/588184329.db2.gz RAWZYVNVMLZMNW-UHFFFAOYSA-N 1 2 218.300 1.934 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000844321311 588184331 /nfs/dbraw/zinc/18/43/31/588184331.db2.gz RAWZYVNVMLZMNW-UHFFFAOYSA-N 1 2 218.300 1.934 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](C[C@H](O)C1CC1)C2 ZINC000844471328 588198103 /nfs/dbraw/zinc/19/81/03/588198103.db2.gz BNXDURPZLWWOFG-AWEZNQCLSA-N 1 2 228.295 1.645 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](C[C@H](O)C1CC1)C2 ZINC000844471328 588198104 /nfs/dbraw/zinc/19/81/04/588198104.db2.gz BNXDURPZLWWOFG-AWEZNQCLSA-N 1 2 228.295 1.645 20 30 BDEDLO C[C@@H](CC(=O)OC(C)(C)C#N)n1cc[nH+]c1 ZINC000845490977 588230478 /nfs/dbraw/zinc/23/04/78/588230478.db2.gz ZXRPFDRJIZSUQY-VIFPVBQESA-N 1 2 221.260 1.680 20 30 BDEDLO N#CCCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845505114 588231108 /nfs/dbraw/zinc/23/11/08/588231108.db2.gz OXQKZJKWUTUELW-UHFFFAOYSA-N 1 2 247.298 1.609 20 30 BDEDLO CCn1nc(C)c(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000846010973 588253421 /nfs/dbraw/zinc/25/34/21/588253421.db2.gz PPUPHEPSGPNZFI-UHFFFAOYSA-N 1 2 247.346 1.780 20 30 BDEDLO C=C(C)CONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000846535726 588271467 /nfs/dbraw/zinc/27/14/67/588271467.db2.gz LHUQMZRHCPRODP-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000846549906 588275454 /nfs/dbraw/zinc/27/54/54/588275454.db2.gz KXHMUUDTYLZVDL-ZJUUUORDSA-N 1 2 235.287 1.068 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000846662765 588281373 /nfs/dbraw/zinc/28/13/73/588281373.db2.gz HRBHDOXWNITPKW-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO CC1(C#N)C[NH+](CCCCCCCO)C1 ZINC000846886718 588295656 /nfs/dbraw/zinc/29/56/56/588295656.db2.gz BJRCEBNPLIHPQG-UHFFFAOYSA-N 1 2 210.321 1.775 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000847018747 588301361 /nfs/dbraw/zinc/30/13/61/588301361.db2.gz MKZNEICBCRWKHC-SNVBAGLBSA-N 1 2 205.261 1.223 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000847018747 588301362 /nfs/dbraw/zinc/30/13/62/588301362.db2.gz MKZNEICBCRWKHC-SNVBAGLBSA-N 1 2 205.261 1.223 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000847021918 588302792 /nfs/dbraw/zinc/30/27/92/588302792.db2.gz QSOHNVLSLPRZHI-JTQLQIEISA-N 1 2 221.329 1.692 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000847021918 588302793 /nfs/dbraw/zinc/30/27/93/588302793.db2.gz QSOHNVLSLPRZHI-JTQLQIEISA-N 1 2 221.329 1.692 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000848274932 588369464 /nfs/dbraw/zinc/36/94/64/588369464.db2.gz GLVVSMVVDSAINQ-CHWSQXEVSA-N 1 2 245.326 1.706 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ncccn1 ZINC000848416354 588381392 /nfs/dbraw/zinc/38/13/92/588381392.db2.gz IIZZYEAMURYVEG-UHFFFAOYSA-N 1 2 244.302 1.077 20 30 BDEDLO C[C@H]1CSCC1=NNCCCn1cc[nH+]c1 ZINC000848417052 588381579 /nfs/dbraw/zinc/38/15/79/588381579.db2.gz IZZLWUGJNYZYBG-JTQLQIEISA-N 1 2 238.360 1.602 20 30 BDEDLO C[C@@H]1CC(=NNCCCn2cc[nH+]c2)CO1 ZINC000848416277 588381846 /nfs/dbraw/zinc/38/18/46/588381846.db2.gz FOQRPRQVAXMAJQ-SNVBAGLBSA-N 1 2 222.292 1.028 20 30 BDEDLO Cc1ncccc1C=NNCCCn1cc[nH+]c1 ZINC000848418829 588382271 /nfs/dbraw/zinc/38/22/71/588382271.db2.gz VMILEPQASXUZNW-UHFFFAOYSA-N 1 2 243.314 1.600 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)C(=O)OC ZINC000848916347 588420012 /nfs/dbraw/zinc/42/00/12/588420012.db2.gz GOGTXIQDEMDIMQ-VWYCJHECSA-N 1 2 241.356 1.425 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C)[nH]1)[C@H]1CCCO1 ZINC000850250711 588531920 /nfs/dbraw/zinc/53/19/20/588531920.db2.gz CFTSQZKXNCYOJT-VXGBXAGGSA-N 1 2 233.315 1.297 20 30 BDEDLO C#C[C@@H](NCc1[nH]c(C)c(C)[nH+]1)[C@H]1CCCO1 ZINC000850250711 588531921 /nfs/dbraw/zinc/53/19/21/588531921.db2.gz CFTSQZKXNCYOJT-VXGBXAGGSA-N 1 2 233.315 1.297 20 30 BDEDLO C#CC[N@H+](CC#CC)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000851785543 588628297 /nfs/dbraw/zinc/62/82/97/588628297.db2.gz QKJRSARRMDZHHL-GJZGRUSLSA-N 1 2 248.370 1.054 20 30 BDEDLO C#CC[N@@H+](CC#CC)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000851785543 588628298 /nfs/dbraw/zinc/62/82/98/588628298.db2.gz QKJRSARRMDZHHL-GJZGRUSLSA-N 1 2 248.370 1.054 20 30 BDEDLO C#CC[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000851798852 588630136 /nfs/dbraw/zinc/63/01/36/588630136.db2.gz IONLVRWADUDSEL-UHFFFAOYSA-N 1 2 223.232 1.346 20 30 BDEDLO C#CC[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000851798852 588630137 /nfs/dbraw/zinc/63/01/37/588630137.db2.gz IONLVRWADUDSEL-UHFFFAOYSA-N 1 2 223.232 1.346 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(COC)no1 ZINC000852100095 588662632 /nfs/dbraw/zinc/66/26/32/588662632.db2.gz FBFIDKRKHSOGSI-CABZTGNLSA-N 1 2 237.303 1.669 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(C)no1 ZINC000852100272 588662805 /nfs/dbraw/zinc/66/28/05/588662805.db2.gz VIWVIAYUKONWCT-LDYMZIIASA-N 1 2 207.277 1.831 20 30 BDEDLO C#CCCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852154343 588667748 /nfs/dbraw/zinc/66/77/48/588667748.db2.gz PAWNFRYDFCXTKD-JTQLQIEISA-N 1 2 234.303 1.194 20 30 BDEDLO C#CCOCC[NH2+]C(C)(C)C(=O)OCCCC ZINC000852218487 588673574 /nfs/dbraw/zinc/67/35/74/588673574.db2.gz JAEHBUVPIZXJAR-UHFFFAOYSA-N 1 2 241.331 1.348 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000852319451 588678040 /nfs/dbraw/zinc/67/80/40/588678040.db2.gz NBALKNVYLSEIGX-SECBINFHSA-N 1 2 206.249 1.195 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000852319451 588678041 /nfs/dbraw/zinc/67/80/41/588678041.db2.gz NBALKNVYLSEIGX-SECBINFHSA-N 1 2 206.249 1.195 20 30 BDEDLO C#CCC[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852603744 588692691 /nfs/dbraw/zinc/69/26/91/588692691.db2.gz VKKPWZRZEIUCHA-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852603744 588692692 /nfs/dbraw/zinc/69/26/92/588692692.db2.gz VKKPWZRZEIUCHA-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688214 588696136 /nfs/dbraw/zinc/69/61/36/588696136.db2.gz ZIULNPGCEUVAJC-WCQYABFASA-N 1 2 249.314 1.205 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688214 588696137 /nfs/dbraw/zinc/69/61/37/588696137.db2.gz ZIULNPGCEUVAJC-WCQYABFASA-N 1 2 249.314 1.205 20 30 BDEDLO C#CC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000852690397 588696320 /nfs/dbraw/zinc/69/63/20/588696320.db2.gz BZSHBUUDMVAEDG-UHFFFAOYSA-N 1 2 203.241 1.220 20 30 BDEDLO C#CC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000852690397 588696321 /nfs/dbraw/zinc/69/63/21/588696321.db2.gz BZSHBUUDMVAEDG-UHFFFAOYSA-N 1 2 203.241 1.220 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1snnc1C ZINC000852748927 588698538 /nfs/dbraw/zinc/69/85/38/588698538.db2.gz LNYDFKWERVIYPH-UHFFFAOYSA-N 1 2 239.344 1.318 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1snnc1C ZINC000852748927 588698539 /nfs/dbraw/zinc/69/85/39/588698539.db2.gz LNYDFKWERVIYPH-UHFFFAOYSA-N 1 2 239.344 1.318 20 30 BDEDLO CCOC(=O)c1cccc(C[NH2+][C@@H](C)CC#N)n1 ZINC000862324629 589200887 /nfs/dbraw/zinc/20/08/87/589200887.db2.gz QPAGNHWFXFMEDC-JTQLQIEISA-N 1 2 247.298 1.650 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000862564772 589222916 /nfs/dbraw/zinc/22/29/16/589222916.db2.gz HTPBETKAXLBYIR-GFCCVEGCSA-N 1 2 231.299 1.145 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000120471709 589416682 /nfs/dbraw/zinc/41/66/82/589416682.db2.gz BJXRKOMTSHVJFX-UONOGXRCSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CCOCCNc1ccc([C@H](C)O)c[nH+]1 ZINC000865674453 589455656 /nfs/dbraw/zinc/45/56/56/589455656.db2.gz MQPJZSPSHWPPDD-JTQLQIEISA-N 1 2 220.272 1.197 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc(NCCC)[nH+]cn1 ZINC000865977209 589471069 /nfs/dbraw/zinc/47/10/69/589471069.db2.gz IIGDSIVBQAZSGQ-NSHDSACASA-N 1 2 248.330 1.749 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc(NCCC)nc[nH+]1 ZINC000865977209 589471070 /nfs/dbraw/zinc/47/10/70/589471070.db2.gz IIGDSIVBQAZSGQ-NSHDSACASA-N 1 2 248.330 1.749 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865976828 589471135 /nfs/dbraw/zinc/47/11/35/589471135.db2.gz AMXSSSRTMPZJCN-AAEUAGOBSA-N 1 2 248.326 1.975 20 30 BDEDLO COCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866213866 589480858 /nfs/dbraw/zinc/48/08/58/589480858.db2.gz AQBQQNXKKWXRAY-SNVBAGLBSA-N 1 2 234.299 1.951 20 30 BDEDLO C[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866241003 589482193 /nfs/dbraw/zinc/48/21/93/589482193.db2.gz SSVPHTZOCPCPMQ-RKDXNWHRSA-N 1 2 220.272 1.295 20 30 BDEDLO Cc1ccn(C[NH+]2CCCCC2)c(=O)c1C#N ZINC000121185840 589512761 /nfs/dbraw/zinc/51/27/61/589512761.db2.gz FSUIRSPFEQRSFN-UHFFFAOYSA-N 1 2 231.299 1.472 20 30 BDEDLO C=C(C)CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867532509 589524596 /nfs/dbraw/zinc/52/45/96/589524596.db2.gz MRAFMODHBCZODV-JTQLQIEISA-N 1 2 246.301 1.656 20 30 BDEDLO C=C(C)CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867532509 589524598 /nfs/dbraw/zinc/52/45/98/589524598.db2.gz MRAFMODHBCZODV-JTQLQIEISA-N 1 2 246.301 1.656 20 30 BDEDLO C#CCOCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000121962938 589544169 /nfs/dbraw/zinc/54/41/69/589544169.db2.gz TXQMZVPIWZPBFR-UHFFFAOYSA-N 1 2 247.298 1.126 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000868621177 589568656 /nfs/dbraw/zinc/56/86/56/589568656.db2.gz REOWAYAAMWJAIR-JTQLQIEISA-N 1 2 231.299 1.800 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869294055 589596614 /nfs/dbraw/zinc/59/66/14/589596614.db2.gz FYOLRVUTBZMCCH-UMNHJUIQSA-N 1 2 247.298 1.153 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccnc(F)c1 ZINC000871913915 589831447 /nfs/dbraw/zinc/83/14/47/589831447.db2.gz GPNUUBVHWKFSPA-LLVKDONJSA-N 1 2 232.262 1.754 20 30 BDEDLO Cc1cc(C)nc(N=NC(C)c2cn(C)c[nH+]2)n1 ZINC000872324502 589912541 /nfs/dbraw/zinc/91/25/41/589912541.db2.gz STEFXXTYIQHFMO-UHFFFAOYSA-N 1 2 244.302 1.663 20 30 BDEDLO c1[nH+]c(CN=Nc2ncccn2)cn1C1CC1 ZINC000872341781 589915182 /nfs/dbraw/zinc/91/51/82/589915182.db2.gz BJZBKWXRNLTCHD-UHFFFAOYSA-N 1 2 228.259 1.454 20 30 BDEDLO CC[C@H](C)NN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872368919 589922604 /nfs/dbraw/zinc/92/26/04/589922604.db2.gz ULVSLQKEHKTUJD-QMMMGPOBSA-N 1 2 217.276 1.632 20 30 BDEDLO Cc1ccnc(N)c1C=[NH+]NCCC(F)(F)F ZINC000872370162 589923082 /nfs/dbraw/zinc/92/30/82/589923082.db2.gz SWBAOANBQLBCLB-UHFFFAOYSA-N 1 2 246.236 1.848 20 30 BDEDLO Cn1nncc1C[NH2+]Cc1cccc(F)c1C#N ZINC000873126268 589985367 /nfs/dbraw/zinc/98/53/67/589985367.db2.gz CKHFOKIGCIIZOS-UHFFFAOYSA-N 1 2 245.261 1.116 20 30 BDEDLO CC#CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891858 590153617 /nfs/dbraw/zinc/15/36/17/590153617.db2.gz WCPWNOCEXKJQOU-CYBMUJFWSA-N 1 2 246.285 1.322 20 30 BDEDLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000875706022 590168905 /nfs/dbraw/zinc/16/89/05/590168905.db2.gz YJSHVRFDIVRLHR-LARJDALCSA-N 1 2 249.358 1.239 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(OC)cnc1F ZINC000876638557 590225031 /nfs/dbraw/zinc/22/50/31/590225031.db2.gz CUEGXRQNBJHCQF-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(OC)cnc1F ZINC000876638557 590225032 /nfs/dbraw/zinc/22/50/32/590225032.db2.gz CUEGXRQNBJHCQF-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO C#CCCCCCC[NH+]1CCS(=O)CC1 ZINC000876693049 590231081 /nfs/dbraw/zinc/23/10/81/590231081.db2.gz OENUVVCAYHZIMV-UHFFFAOYSA-N 1 2 227.373 1.634 20 30 BDEDLO CCCn1cc(C[NH+]2CCC(CC#N)CC2)nn1 ZINC000877191421 590299230 /nfs/dbraw/zinc/29/92/30/590299230.db2.gz UMGLNZWFXBIKSV-UHFFFAOYSA-N 1 2 247.346 1.814 20 30 BDEDLO C[N@H+](CCCO)Cc1cc(C#N)cnc1Cl ZINC000877498320 590342102 /nfs/dbraw/zinc/34/21/02/590342102.db2.gz BOYKJYVAZFDRCO-UHFFFAOYSA-N 1 2 239.706 1.421 20 30 BDEDLO C[N@@H+](CCCO)Cc1cc(C#N)cnc1Cl ZINC000877498320 590342106 /nfs/dbraw/zinc/34/21/06/590342106.db2.gz BOYKJYVAZFDRCO-UHFFFAOYSA-N 1 2 239.706 1.421 20 30 BDEDLO CCc1nc(C[NH2+]Cc2cccc(C#N)n2)co1 ZINC000877570695 590362020 /nfs/dbraw/zinc/36/20/20/590362020.db2.gz NAPSWZBISTXRCO-UHFFFAOYSA-N 1 2 242.282 1.793 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](CCC)OC ZINC000877585612 590367581 /nfs/dbraw/zinc/36/75/81/590367581.db2.gz KFGUNVOGUPTYGX-VXGBXAGGSA-N 1 2 211.305 1.136 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](CCC)OC ZINC000877585612 590367584 /nfs/dbraw/zinc/36/75/84/590367584.db2.gz KFGUNVOGUPTYGX-VXGBXAGGSA-N 1 2 211.305 1.136 20 30 BDEDLO CCCn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000877623162 590376894 /nfs/dbraw/zinc/37/68/94/590376894.db2.gz YIRBBPQVSSCQCG-GFCCVEGCSA-N 1 2 247.346 1.814 20 30 BDEDLO CCCn1cc(C[N@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000877623162 590376895 /nfs/dbraw/zinc/37/68/95/590376895.db2.gz YIRBBPQVSSCQCG-GFCCVEGCSA-N 1 2 247.346 1.814 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(C)o1)C1CCOCC1 ZINC000877636340 590380538 /nfs/dbraw/zinc/38/05/38/590380538.db2.gz UFLHTNMVHIKAKO-GFCCVEGCSA-N 1 2 234.299 1.501 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000877689953 590392134 /nfs/dbraw/zinc/39/21/34/590392134.db2.gz MCUAZSZKDXMZIQ-RYUDHWBXSA-N 1 2 239.315 1.777 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@@H]1C[C@@H]1C ZINC000877710923 590398823 /nfs/dbraw/zinc/39/88/23/590398823.db2.gz ZHJHPMZTDMFAML-UWVGGRQHSA-N 1 2 210.277 1.031 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H]1C[C@@H]1C ZINC000877710923 590398825 /nfs/dbraw/zinc/39/88/25/590398825.db2.gz ZHJHPMZTDMFAML-UWVGGRQHSA-N 1 2 210.277 1.031 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878167016 590514176 /nfs/dbraw/zinc/51/41/76/590514176.db2.gz MDPVNZVWDJYVDH-SECBINFHSA-N 1 2 236.271 1.477 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878167016 590514177 /nfs/dbraw/zinc/51/41/77/590514177.db2.gz MDPVNZVWDJYVDH-SECBINFHSA-N 1 2 236.271 1.477 20 30 BDEDLO C#CCC[NH+]1CCN(CCCC2CC2)CC1 ZINC000878313287 590541088 /nfs/dbraw/zinc/54/10/88/590541088.db2.gz WCIYPIWBVGSACO-UHFFFAOYSA-N 1 2 220.360 1.818 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nocc1C)[C@H]1CCCO1 ZINC000878453968 590570573 /nfs/dbraw/zinc/57/05/73/590570573.db2.gz QCSYCMJKJKGPAM-CMPLNLGQSA-N 1 2 220.272 1.253 20 30 BDEDLO C=CC[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)OC ZINC000878509145 590582650 /nfs/dbraw/zinc/58/26/50/590582650.db2.gz JAUNTRUNKBHGGT-JBLDHEPKSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)OC ZINC000878509148 590582770 /nfs/dbraw/zinc/58/27/70/590582770.db2.gz JAUNTRUNKBHGGT-NHCYSSNCSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)C(=O)OC ZINC000878556356 590592243 /nfs/dbraw/zinc/59/22/43/590592243.db2.gz GDZRTIYLRCRMIL-TUAOUCFPSA-N 1 2 241.331 1.651 20 30 BDEDLO C#CC[N@@H+](CCN(C#N)CC)Cc1ccccc1 ZINC000878613576 590596047 /nfs/dbraw/zinc/59/60/47/590596047.db2.gz RLNUCMUIXLOYJQ-UHFFFAOYSA-N 1 2 241.338 1.925 20 30 BDEDLO C#CC[N@H+](CCN(C#N)CC)Cc1ccccc1 ZINC000878613576 590596048 /nfs/dbraw/zinc/59/60/48/590596048.db2.gz RLNUCMUIXLOYJQ-UHFFFAOYSA-N 1 2 241.338 1.925 20 30 BDEDLO C=CC[C@H](C)[NH+]1CC(S(=O)(=O)CC)C1 ZINC000878681349 590608820 /nfs/dbraw/zinc/60/88/20/590608820.db2.gz NXBLZEWPXLSYLT-VIFPVBQESA-N 1 2 217.334 1.070 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OCC)C(=O)OC ZINC000878689624 590610255 /nfs/dbraw/zinc/61/02/55/590610255.db2.gz FDYINODYLOEZHS-IJLUTSLNSA-N 1 2 241.331 1.651 20 30 BDEDLO Cc1conc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771523 590620319 /nfs/dbraw/zinc/62/03/19/590620319.db2.gz NZMLDOJIVHIFIG-TXEJJXNPSA-N 1 2 248.330 1.401 20 30 BDEDLO Cc1conc1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771523 590620321 /nfs/dbraw/zinc/62/03/21/590620321.db2.gz NZMLDOJIVHIFIG-TXEJJXNPSA-N 1 2 248.330 1.401 20 30 BDEDLO C=C(Cl)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878772079 590621020 /nfs/dbraw/zinc/62/10/20/590621020.db2.gz DTBVPTQSGOWQIV-QWRGUYRKSA-N 1 2 227.739 1.657 20 30 BDEDLO COc1ccc2nc(C[NH2+][C@H](C)CC#N)[nH]c2n1 ZINC000878820906 590627677 /nfs/dbraw/zinc/62/76/77/590627677.db2.gz QJOLAVOYJNYJDX-MRVPVSSYSA-N 1 2 245.286 1.358 20 30 BDEDLO C#CC[N@H+](Cc1ccc(OC)cn1)C1CSC1 ZINC000878909570 590645268 /nfs/dbraw/zinc/64/52/68/590645268.db2.gz GENMRWKZPWAEBF-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(OC)cn1)C1CSC1 ZINC000878909570 590645262 /nfs/dbraw/zinc/64/52/62/590645262.db2.gz GENMRWKZPWAEBF-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO COC(C[N@H+](C)[C@H]1CCC[C@@H]1C#N)OC ZINC000879311717 590728401 /nfs/dbraw/zinc/72/84/01/590728401.db2.gz UEECVOPYXBNPIK-ZJUUUORDSA-N 1 2 212.293 1.229 20 30 BDEDLO COC(C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)OC ZINC000879311717 590728404 /nfs/dbraw/zinc/72/84/04/590728404.db2.gz UEECVOPYXBNPIK-ZJUUUORDSA-N 1 2 212.293 1.229 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1CC=CC1 ZINC000879471532 590775782 /nfs/dbraw/zinc/77/57/82/590775782.db2.gz ALJAJXSLYUKAHL-UHFFFAOYSA-N 1 2 222.288 1.341 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1CC=CC1 ZINC000879471532 590775785 /nfs/dbraw/zinc/77/57/85/590775785.db2.gz ALJAJXSLYUKAHL-UHFFFAOYSA-N 1 2 222.288 1.341 20 30 BDEDLO C=C(C)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880337953 591008506 /nfs/dbraw/zinc/00/85/06/591008506.db2.gz TUIKNIFQANTNFD-NSHDSACASA-N 1 2 227.304 1.120 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC000128380406 591014159 /nfs/dbraw/zinc/01/41/59/591014159.db2.gz CUTDQGZUHNTGSY-LBPRGKRZSA-N 1 2 222.332 1.200 20 30 BDEDLO C=C(Br)C[N@H+]1CC=C[C@@H]1CO ZINC000880486391 591062118 /nfs/dbraw/zinc/06/21/18/591062118.db2.gz RISDAVCIFAAEOT-MRVPVSSYSA-N 1 2 218.094 1.128 20 30 BDEDLO C=C(Br)C[N@@H+]1CC=C[C@@H]1CO ZINC000880486391 591062122 /nfs/dbraw/zinc/06/21/22/591062122.db2.gz RISDAVCIFAAEOT-MRVPVSSYSA-N 1 2 218.094 1.128 20 30 BDEDLO OC[C@H]1C=CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000880489118 591065935 /nfs/dbraw/zinc/06/59/35/591065935.db2.gz QLYRZLRNVYVTQP-CYBMUJFWSA-N 1 2 247.725 1.924 20 30 BDEDLO OC[C@H]1C=CC[N@H+]1CC#Cc1ccccc1Cl ZINC000880489118 591065936 /nfs/dbraw/zinc/06/59/36/591065936.db2.gz QLYRZLRNVYVTQP-CYBMUJFWSA-N 1 2 247.725 1.924 20 30 BDEDLO C#CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC000882532233 591383406 /nfs/dbraw/zinc/38/34/06/591383406.db2.gz HYFCYEWFNHHCIJ-GFCCVEGCSA-N 1 2 245.326 1.896 20 30 BDEDLO C#CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000882532396 591384235 /nfs/dbraw/zinc/38/42/35/591384235.db2.gz MEIWJVCXAXQBCF-NSHDSACASA-N 1 2 245.326 1.651 20 30 BDEDLO C#CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000882532396 591384239 /nfs/dbraw/zinc/38/42/39/591384239.db2.gz MEIWJVCXAXQBCF-NSHDSACASA-N 1 2 245.326 1.651 20 30 BDEDLO Cc1[nH+]cnc(N2CC(CC#N)C2)c1C ZINC000882604662 591398654 /nfs/dbraw/zinc/39/86/54/591398654.db2.gz YHMLEDZYRRNIPF-UHFFFAOYSA-N 1 2 202.261 1.443 20 30 BDEDLO C#CC1(F)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000882886111 591463080 /nfs/dbraw/zinc/46/30/80/591463080.db2.gz DWFDHYAMZUVDQC-UHFFFAOYSA-N 1 2 217.247 1.516 20 30 BDEDLO C#CC1(F)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000882886198 591463593 /nfs/dbraw/zinc/46/35/93/591463593.db2.gz JIWBPDFTUMAAQQ-UHFFFAOYSA-N 1 2 219.263 1.563 20 30 BDEDLO CC(C)c1c[nH]c(CNc2n[nH]cc2C#N)[nH+]1 ZINC000883118522 591542598 /nfs/dbraw/zinc/54/25/98/591542598.db2.gz YTSACRZWVYDLOL-UHFFFAOYSA-N 1 2 230.275 1.740 20 30 BDEDLO C#C[C@@H]1CCCN(c2cc[nH+]c(CC)n2)C1 ZINC000884547722 591975094 /nfs/dbraw/zinc/97/50/94/591975094.db2.gz SKWBWJXCSGPYEK-LLVKDONJSA-N 1 2 215.300 1.889 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884583331 591987328 /nfs/dbraw/zinc/98/73/28/591987328.db2.gz AFMIDSHXAIFIAZ-JTQLQIEISA-N 1 2 221.304 1.778 20 30 BDEDLO C#CCSCC(=O)OCCCn1cc[nH+]c1 ZINC000885898582 592106587 /nfs/dbraw/zinc/10/65/87/592106587.db2.gz OIDRKTMRSAVZHF-UHFFFAOYSA-N 1 2 238.312 1.183 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@](C)(O)C(F)F ZINC000885979543 592119880 /nfs/dbraw/zinc/11/98/80/592119880.db2.gz FYEZSSAUVGFFHE-VXNVDRBHSA-N 1 2 206.236 1.094 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@](C)(O)C(F)F ZINC000885979543 592119883 /nfs/dbraw/zinc/11/98/83/592119883.db2.gz FYEZSSAUVGFFHE-VXNVDRBHSA-N 1 2 206.236 1.094 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@](C)(O)C(F)F ZINC000885979542 592120071 /nfs/dbraw/zinc/12/00/71/592120071.db2.gz FYEZSSAUVGFFHE-IONNQARKSA-N 1 2 206.236 1.094 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@](C)(O)C(F)F ZINC000885979542 592120072 /nfs/dbraw/zinc/12/00/72/592120072.db2.gz FYEZSSAUVGFFHE-IONNQARKSA-N 1 2 206.236 1.094 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886091889 592146335 /nfs/dbraw/zinc/14/63/35/592146335.db2.gz IWXHCSUSLLHSCZ-NSHDSACASA-N 1 2 248.330 1.286 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886091889 592146338 /nfs/dbraw/zinc/14/63/38/592146338.db2.gz IWXHCSUSLLHSCZ-NSHDSACASA-N 1 2 248.330 1.286 20 30 BDEDLO C=C(C)C[NH2+][C@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886959904 592402058 /nfs/dbraw/zinc/40/20/58/592402058.db2.gz YOCCXFCUODXUET-VXGBXAGGSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886963405 592402188 /nfs/dbraw/zinc/40/21/88/592402188.db2.gz PJDLNXGNOVRKDZ-VXGBXAGGSA-N 1 2 241.331 1.653 20 30 BDEDLO Cn1c[nH+]c(CNC(=O)C#CC(C)(C)C)c1 ZINC000890104649 592681846 /nfs/dbraw/zinc/68/18/46/592681846.db2.gz OOUIMWKQQDKPDF-UHFFFAOYSA-N 1 2 219.288 1.086 20 30 BDEDLO C=CCC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108424 592682533 /nfs/dbraw/zinc/68/25/33/592682533.db2.gz YRYYAXSGFYJMED-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000826663564 592703685 /nfs/dbraw/zinc/70/36/85/592703685.db2.gz LLHGYBITDVUCTJ-VIFPVBQESA-N 1 2 244.298 1.333 20 30 BDEDLO CC#CCC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933325897 631255473 /nfs/dbraw/zinc/25/54/73/631255473.db2.gz UIRXYXSKEDJDGX-AWEZNQCLSA-N 1 2 242.322 1.573 20 30 BDEDLO CC#CCC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933325897 631255479 /nfs/dbraw/zinc/25/54/79/631255479.db2.gz UIRXYXSKEDJDGX-AWEZNQCLSA-N 1 2 242.322 1.573 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC000934514007 631897218 /nfs/dbraw/zinc/89/72/18/631897218.db2.gz DUDURFZXLVHFSK-LBPRGKRZSA-N 1 2 203.289 1.408 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccn(C)n1 ZINC000934514007 631897221 /nfs/dbraw/zinc/89/72/21/631897221.db2.gz DUDURFZXLVHFSK-LBPRGKRZSA-N 1 2 203.289 1.408 20 30 BDEDLO COCC[N@H+](CCC#N)CCC1OCCCO1 ZINC000091465950 632019253 /nfs/dbraw/zinc/01/92/53/632019253.db2.gz PNEYROPBRJUITQ-UHFFFAOYSA-N 1 2 242.319 1.002 20 30 BDEDLO COCC[N@@H+](CCC#N)CCC1OCCCO1 ZINC000091465950 632019258 /nfs/dbraw/zinc/01/92/58/632019258.db2.gz PNEYROPBRJUITQ-UHFFFAOYSA-N 1 2 242.319 1.002 20 30 BDEDLO C[C@H]1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)=NO1 ZINC000935135503 632461805 /nfs/dbraw/zinc/46/18/05/632461805.db2.gz GJSKCNSJULWQGJ-ZETCQYMHSA-N 1 2 244.254 1.415 20 30 BDEDLO C[NH+](C)[C@@H](C(=O)NO)c1cccc(Cl)c1 ZINC000782172953 632488238 /nfs/dbraw/zinc/48/82/38/632488238.db2.gz FOJBOUIOVRYBJJ-SECBINFHSA-N 1 2 228.679 1.448 20 30 BDEDLO CC(C)CN(CCC#N)C(=O)Cn1cc[nH+]c1 ZINC000310538283 632754892 /nfs/dbraw/zinc/75/48/92/632754892.db2.gz PVTMYELLNIJTGQ-UHFFFAOYSA-N 1 2 234.303 1.281 20 30 BDEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1O)[NH+](C)C ZINC000179739250 632758941 /nfs/dbraw/zinc/75/89/41/632758941.db2.gz DMGAMRGRQGOEKW-NSHDSACASA-N 1 2 247.298 1.543 20 30 BDEDLO C#CCC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000309954841 633975128 /nfs/dbraw/zinc/97/51/28/633975128.db2.gz HVHOYGBKFCZENF-LBPRGKRZSA-N 1 2 223.316 1.721 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OCC ZINC000895591634 636166251 /nfs/dbraw/zinc/16/62/51/636166251.db2.gz CJFPZBUZZZGFOG-WOPDTQHZSA-N 1 2 243.347 1.897 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000950035103 635231825 /nfs/dbraw/zinc/23/18/25/635231825.db2.gz SPGXTNMISLPOPZ-RYUDHWBXSA-N 1 2 222.332 1.363 20 30 BDEDLO CC#CC[N@@H+]1CCCN(C(=O)C(C)(F)F)CC1 ZINC000980616624 635243435 /nfs/dbraw/zinc/24/34/35/635243435.db2.gz OUWAUJQDIYTWTK-UHFFFAOYSA-N 1 2 244.285 1.199 20 30 BDEDLO CC#CC[N@H+]1CCCN(C(=O)C(C)(F)F)CC1 ZINC000980616624 635243440 /nfs/dbraw/zinc/24/34/40/635243440.db2.gz OUWAUJQDIYTWTK-UHFFFAOYSA-N 1 2 244.285 1.199 20 30 BDEDLO C=C(Br)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000306320008 636335225 /nfs/dbraw/zinc/33/52/25/636335225.db2.gz WDJGGMSELHVRTJ-SNVBAGLBSA-N 1 2 247.180 1.921 20 30 BDEDLO C=C(Br)CN1CC[N@H+](CC)[C@H](C)C1 ZINC000306320008 636335233 /nfs/dbraw/zinc/33/52/33/636335233.db2.gz WDJGGMSELHVRTJ-SNVBAGLBSA-N 1 2 247.180 1.921 20 30 BDEDLO C#CCc1c(C)[nH]n(CC[NH+]2CCCCC2)c1=O ZINC000899348111 637081493 /nfs/dbraw/zinc/08/14/93/637081493.db2.gz PFNSFRJQXMHLAN-CYBMUJFWSA-N 1 2 247.342 1.330 20 30 BDEDLO C#CC[N@H+](CN1CCSC1=O)C(C)C ZINC000905743549 637903949 /nfs/dbraw/zinc/90/39/49/637903949.db2.gz UQMAEMADIAAVLK-UHFFFAOYSA-N 1 2 212.318 1.456 20 30 BDEDLO C#CC[N@@H+](CN1CCSC1=O)C(C)C ZINC000905743549 637903954 /nfs/dbraw/zinc/90/39/54/637903954.db2.gz UQMAEMADIAAVLK-UHFFFAOYSA-N 1 2 212.318 1.456 20 30 BDEDLO C#CC[N@H+](CN1CCSC1=S)C(C)C ZINC000905743510 637905120 /nfs/dbraw/zinc/90/51/20/637905120.db2.gz TZWCUGSVXPIHIY-UHFFFAOYSA-N 1 2 228.386 1.621 20 30 BDEDLO C#CC[N@@H+](CN1CCSC1=S)C(C)C ZINC000905743510 637905122 /nfs/dbraw/zinc/90/51/22/637905122.db2.gz TZWCUGSVXPIHIY-UHFFFAOYSA-N 1 2 228.386 1.621 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)CCSC)C(=O)OC ZINC000905760025 637914921 /nfs/dbraw/zinc/91/49/21/637914921.db2.gz FBABJYDIYRATNG-UWVGGRQHSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)CSC)C(=O)OC ZINC000905761225 637916273 /nfs/dbraw/zinc/91/62/73/637916273.db2.gz NBHKQYVOXJNNIC-IUCAKERBSA-N 1 2 217.334 1.445 20 30 BDEDLO C=CCSCC[NH2+][C@@H](CC=C)C(=O)OC ZINC000905761574 637916789 /nfs/dbraw/zinc/91/67/89/637916789.db2.gz HPHZALFXNHUNSD-JTQLQIEISA-N 1 2 229.345 1.613 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](CC)CSC)C(=O)OC ZINC000905762205 637919059 /nfs/dbraw/zinc/91/90/59/637919059.db2.gz LHOFQAFFRQYFJL-VHSXEESVSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@@H]([NH2+]CC1(CC)COC1)C(=O)OC ZINC000905769785 637925554 /nfs/dbraw/zinc/92/55/54/637925554.db2.gz JJZMWDHRIBPYNS-SNVBAGLBSA-N 1 2 227.304 1.120 20 30 BDEDLO C=CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C(=O)OC ZINC000905769980 637925626 /nfs/dbraw/zinc/92/56/26/637925626.db2.gz KYTSLONZAJZBKU-SNVBAGLBSA-N 1 2 243.347 1.491 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@H](C)F)C(=O)OC ZINC000905771310 637926742 /nfs/dbraw/zinc/92/67/42/637926742.db2.gz SCQMEQMPISEGSN-IUCAKERBSA-N 1 2 203.257 1.442 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@H](C)[C@H](C)O1 ZINC000930249795 639658663 /nfs/dbraw/zinc/65/86/63/639658663.db2.gz AWVYGRBIDGZCPE-UTUOFQBUSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@H](C)[C@H](C)O1 ZINC000930249795 639658668 /nfs/dbraw/zinc/65/86/68/639658668.db2.gz AWVYGRBIDGZCPE-UTUOFQBUSA-N 1 2 245.326 1.951 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000911514000 639660565 /nfs/dbraw/zinc/66/05/65/639660565.db2.gz HNUHFCYJNBMFIK-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO C[N@H+](Cc1ccc(N)nc1)CC(C)(C)C#N ZINC000930567949 639811393 /nfs/dbraw/zinc/81/13/93/639811393.db2.gz MEFLYBNYUPUEHB-UHFFFAOYSA-N 1 2 218.304 1.645 20 30 BDEDLO C[N@@H+](Cc1ccc(N)nc1)CC(C)(C)C#N ZINC000930567949 639811394 /nfs/dbraw/zinc/81/13/94/639811394.db2.gz MEFLYBNYUPUEHB-UHFFFAOYSA-N 1 2 218.304 1.645 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(OC)s1 ZINC000930601170 639816622 /nfs/dbraw/zinc/81/66/22/639816622.db2.gz QPSCQXZXLSXLIH-JTQLQIEISA-N 1 2 225.317 1.438 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cnn(CCF)c1 ZINC000930867703 639952896 /nfs/dbraw/zinc/95/28/96/639952896.db2.gz MDPMQGWCDDAEFN-VIFPVBQESA-N 1 2 210.256 1.244 20 30 BDEDLO C=CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000912390364 640050881 /nfs/dbraw/zinc/05/08/81/640050881.db2.gz ZGOVNIUEPCHOFV-NSHDSACASA-N 1 2 233.315 1.767 20 30 BDEDLO C[C@H](C#N)N(C(=O)CNc1cccc[nH+]1)C1CC1 ZINC000912411149 640056738 /nfs/dbraw/zinc/05/67/38/640056738.db2.gz LEQXHMSNLHDGPD-SNVBAGLBSA-N 1 2 244.298 1.397 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1coc(C(C)(C)C)n1 ZINC000931067452 640057228 /nfs/dbraw/zinc/05/72/28/640057228.db2.gz PSZITBWDGXZRAG-SECBINFHSA-N 1 2 224.304 1.609 20 30 BDEDLO N#CC[C@@H](O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000931556653 640272571 /nfs/dbraw/zinc/27/25/71/640272571.db2.gz BMLVIGZODPWDJK-NEPJUHHUSA-N 1 2 240.253 1.700 20 30 BDEDLO N#C[C@H]1CCC[N@H+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000932149859 640441992 /nfs/dbraw/zinc/44/19/92/640441992.db2.gz LXEXKRGGAIBBEI-NEPJUHHUSA-N 1 2 236.315 1.170 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000932149859 640441995 /nfs/dbraw/zinc/44/19/95/640441995.db2.gz LXEXKRGGAIBBEI-NEPJUHHUSA-N 1 2 236.315 1.170 20 30 BDEDLO C#CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)C(C)C ZINC000932388463 640517655 /nfs/dbraw/zinc/51/76/55/640517655.db2.gz LBAHLYRMBUJICQ-UHFFFAOYSA-N 1 2 233.315 1.588 20 30 BDEDLO C#CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)C(C)C ZINC000932388463 640517660 /nfs/dbraw/zinc/51/76/60/640517660.db2.gz LBAHLYRMBUJICQ-UHFFFAOYSA-N 1 2 233.315 1.588 20 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CCn1cnc2c1CC[N@H+]([C@H](C)CCC#N)C2 ZINC000933257825 640692395 /nfs/dbraw/zinc/69/23/95/640692395.db2.gz GIIDHKCKVAQJBU-LLVKDONJSA-N 1 2 232.331 1.953 20 30 BDEDLO CCn1c[nH+]c2c1CCN([C@H](C)CCC#N)C2 ZINC000933257825 640692401 /nfs/dbraw/zinc/69/24/01/640692401.db2.gz GIIDHKCKVAQJBU-LLVKDONJSA-N 1 2 232.331 1.953 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2=CCCCCC2)C1 ZINC001030249583 640706219 /nfs/dbraw/zinc/70/62/19/640706219.db2.gz ULNOJQZDPYBLPU-UHFFFAOYSA-N 1 2 246.354 1.701 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)coc2C)C1 ZINC001030271431 640719744 /nfs/dbraw/zinc/71/97/44/640719744.db2.gz GAMNQYRQLGCMSU-UHFFFAOYSA-N 1 2 246.310 1.334 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030283174 640728541 /nfs/dbraw/zinc/72/85/41/640728541.db2.gz RSNHEFOWHLMPNP-VIFPVBQESA-N 1 2 230.258 1.018 20 30 BDEDLO CC(C)(C)[C@H]1CNC(=O)C[N@@H+]1CC1(CC#N)CC1 ZINC000933833082 640768574 /nfs/dbraw/zinc/76/85/74/640768574.db2.gz UPZWVDAGYXKVLF-LLVKDONJSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)(C)[C@H]1CNC(=O)C[N@H+]1CC1(CC#N)CC1 ZINC000933833082 640768579 /nfs/dbraw/zinc/76/85/79/640768579.db2.gz UPZWVDAGYXKVLF-LLVKDONJSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1CCCC#N ZINC000933826760 640768598 /nfs/dbraw/zinc/76/85/98/640768598.db2.gz LKYHOPSFMYIIEE-JTQLQIEISA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1CCCC#N ZINC000933826760 640768602 /nfs/dbraw/zinc/76/86/02/640768602.db2.gz LKYHOPSFMYIIEE-JTQLQIEISA-N 1 2 223.320 1.137 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2)C1 ZINC001030537638 640903313 /nfs/dbraw/zinc/90/33/13/640903313.db2.gz CBUHXODRMXHNMJ-UHFFFAOYSA-N 1 2 242.322 1.053 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC000948809338 640934201 /nfs/dbraw/zinc/93/42/01/640934201.db2.gz YKERABVBJHNQJM-UHFFFAOYSA-N 1 2 249.289 1.165 20 30 BDEDLO Cn1cc(CC[N@@H+]2CCC[C@@H](C#N)C2)cn1 ZINC000230761113 641096746 /nfs/dbraw/zinc/09/67/46/641096746.db2.gz PIHJTHZIECQPNH-NSHDSACASA-N 1 2 218.304 1.198 20 30 BDEDLO Cn1cc(CC[N@H+]2CCC[C@@H](C#N)C2)cn1 ZINC000230761113 641096750 /nfs/dbraw/zinc/09/67/50/641096750.db2.gz PIHJTHZIECQPNH-NSHDSACASA-N 1 2 218.304 1.198 20 30 BDEDLO Cn1cc(CC[N@@H+]2CCC[C@H](C#N)C2)cn1 ZINC000230761114 641097541 /nfs/dbraw/zinc/09/75/41/641097541.db2.gz PIHJTHZIECQPNH-LLVKDONJSA-N 1 2 218.304 1.198 20 30 BDEDLO Cn1cc(CC[N@H+]2CCC[C@H](C#N)C2)cn1 ZINC000230761114 641097543 /nfs/dbraw/zinc/09/75/43/641097543.db2.gz PIHJTHZIECQPNH-LLVKDONJSA-N 1 2 218.304 1.198 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(C2CC2)nn1C ZINC000934460945 641152384 /nfs/dbraw/zinc/15/23/84/641152384.db2.gz UDVVNWVBEKQLTQ-NSHDSACASA-N 1 2 232.331 1.843 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000934460945 641152388 /nfs/dbraw/zinc/15/23/88/641152388.db2.gz UDVVNWVBEKQLTQ-NSHDSACASA-N 1 2 232.331 1.843 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000934470122 641165242 /nfs/dbraw/zinc/16/52/42/641165242.db2.gz BAVKWUPJYJGVGL-LLVKDONJSA-N 1 2 248.330 1.615 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000934470122 641165247 /nfs/dbraw/zinc/16/52/47/641165247.db2.gz BAVKWUPJYJGVGL-LLVKDONJSA-N 1 2 248.330 1.615 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC000934512277 641181115 /nfs/dbraw/zinc/18/11/15/641181115.db2.gz IZUHTALUFPHRAN-NSHDSACASA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC000934512277 641181121 /nfs/dbraw/zinc/18/11/21/641181121.db2.gz IZUHTALUFPHRAN-NSHDSACASA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1cnnn1CC ZINC000934515672 641183279 /nfs/dbraw/zinc/18/32/79/641183279.db2.gz OZMGFYLGICHLTF-NSHDSACASA-N 1 2 218.304 1.286 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cnnn1CC ZINC000934515672 641183280 /nfs/dbraw/zinc/18/32/80/641183280.db2.gz OZMGFYLGICHLTF-NSHDSACASA-N 1 2 218.304 1.286 20 30 BDEDLO CC[N@@H+](C/C(C)=C/C(=O)OC)C[C@@H](C)C#N ZINC000929430241 641315011 /nfs/dbraw/zinc/31/50/11/641315011.db2.gz YUUHBBYMBXQJDM-RUYJGKKWSA-N 1 2 224.304 1.587 20 30 BDEDLO CC[N@H+](C/C(C)=C/C(=O)OC)C[C@@H](C)C#N ZINC000929430241 641315017 /nfs/dbraw/zinc/31/50/17/641315017.db2.gz YUUHBBYMBXQJDM-RUYJGKKWSA-N 1 2 224.304 1.587 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935488502 641417943 /nfs/dbraw/zinc/41/79/43/641417943.db2.gz NQUDKEQUIWCPHH-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccn(C)c2C)C1 ZINC001030914574 641420400 /nfs/dbraw/zinc/42/04/00/641420400.db2.gz OVDCYPGDTKWNGA-UHFFFAOYSA-N 1 2 247.342 1.324 20 30 BDEDLO C#C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC000935801484 641488072 /nfs/dbraw/zinc/48/80/72/641488072.db2.gz RHSQCGNALZVJQX-NSHDSACASA-N 1 2 241.294 1.951 20 30 BDEDLO C=C(Br)C[N@H+]1CCC[C@H](O)C1 ZINC000048571306 641691557 /nfs/dbraw/zinc/69/15/57/641691557.db2.gz ZZIWQAXZIAGOCN-QMMMGPOBSA-N 1 2 220.110 1.352 20 30 BDEDLO C=C(Br)C[N@@H+]1CCC[C@H](O)C1 ZINC000048571306 641691559 /nfs/dbraw/zinc/69/15/59/641691559.db2.gz ZZIWQAXZIAGOCN-QMMMGPOBSA-N 1 2 220.110 1.352 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC001031177051 641776061 /nfs/dbraw/zinc/77/60/61/641776061.db2.gz ZEEJCPHXBNJCMH-GXTWGEPZSA-N 1 2 236.359 1.799 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000948967149 641835585 /nfs/dbraw/zinc/83/55/85/641835585.db2.gz DOUAIBKDAFBURJ-BFHYXJOUSA-N 1 2 248.370 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2C)CC1 ZINC000949941252 641875529 /nfs/dbraw/zinc/87/55/29/641875529.db2.gz RXLNVZYZXWMHJD-UHFFFAOYSA-N 1 2 245.326 1.334 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CC)CC1 ZINC000949958301 641876489 /nfs/dbraw/zinc/87/64/89/641876489.db2.gz OETFWSHXDHZDBG-UHFFFAOYSA-N 1 2 224.348 1.753 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC001031335569 641975571 /nfs/dbraw/zinc/97/55/71/641975571.db2.gz SPCYLHBIFOSKON-UHFFFAOYSA-N 1 2 248.301 1.355 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000847019798 642387771 /nfs/dbraw/zinc/38/77/71/642387771.db2.gz SROWQUIBQBELGK-GFCCVEGCSA-N 1 2 244.342 1.460 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000847019798 642387777 /nfs/dbraw/zinc/38/77/77/642387777.db2.gz SROWQUIBQBELGK-GFCCVEGCSA-N 1 2 244.342 1.460 20 30 BDEDLO CC(=NNCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000920947593 642565051 /nfs/dbraw/zinc/56/50/51/642565051.db2.gz NFRUNJGPMPRXGE-UHFFFAOYSA-N 1 2 244.298 1.178 20 30 BDEDLO NC(Cc1cccnc1)=[NH+]OCCOCC1CC1 ZINC000181719025 642896743 /nfs/dbraw/zinc/89/67/43/642896743.db2.gz VMYNQPZWSOWOMB-UHFFFAOYSA-N 1 2 249.314 1.340 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001017482684 642976674 /nfs/dbraw/zinc/97/66/74/642976674.db2.gz DALRMWIQJVRCSN-XQQFMLRXSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001017482684 642976683 /nfs/dbraw/zinc/97/66/83/642976683.db2.gz DALRMWIQJVRCSN-XQQFMLRXSA-N 1 2 246.354 1.341 20 30 BDEDLO NC(=[NH+]OCc1ccccn1)c1ccccc1 ZINC000184976896 643256746 /nfs/dbraw/zinc/25/67/46/643256746.db2.gz WKDAWPAGCKMMNY-UHFFFAOYSA-N 1 2 227.267 1.919 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCC1 ZINC001032270542 643422895 /nfs/dbraw/zinc/42/28/95/643422895.db2.gz UEMRJPHWGWQMFX-RDBSUJKOSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCC1 ZINC001032270542 643422901 /nfs/dbraw/zinc/42/29/01/643422901.db2.gz UEMRJPHWGWQMFX-RDBSUJKOSA-N 1 2 244.338 1.261 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)no1 ZINC001032276874 643430458 /nfs/dbraw/zinc/43/04/58/643430458.db2.gz IWLLTPPCYNMWNR-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)no1 ZINC001032276874 643430462 /nfs/dbraw/zinc/43/04/62/643430462.db2.gz IWLLTPPCYNMWNR-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC000921545177 643595964 /nfs/dbraw/zinc/59/59/64/643595964.db2.gz DOVAEYFSSLIWEO-LBPRGKRZSA-N 1 2 246.314 1.541 20 30 BDEDLO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC000921545177 643595970 /nfs/dbraw/zinc/59/59/70/643595970.db2.gz DOVAEYFSSLIWEO-LBPRGKRZSA-N 1 2 246.314 1.541 20 30 BDEDLO C#CCNC(=O)C[N@@H+](CC=C)Cc1cccs1 ZINC000050274378 643672246 /nfs/dbraw/zinc/67/22/46/643672246.db2.gz JLMRCODFTYYBOZ-UHFFFAOYSA-N 1 2 248.351 1.486 20 30 BDEDLO C#CCNC(=O)C[N@H+](CC=C)Cc1cccs1 ZINC000050274378 643672250 /nfs/dbraw/zinc/67/22/50/643672250.db2.gz JLMRCODFTYYBOZ-UHFFFAOYSA-N 1 2 248.351 1.486 20 30 BDEDLO CC[N@@H+](CC(OC)OC)C[C@@H](C)C#N ZINC000085351366 643746681 /nfs/dbraw/zinc/74/66/81/643746681.db2.gz SZASJIQZAVBJGI-VIFPVBQESA-N 1 2 200.282 1.087 20 30 BDEDLO CC[N@H+](CC(OC)OC)C[C@@H](C)C#N ZINC000085351366 643746685 /nfs/dbraw/zinc/74/66/85/643746685.db2.gz SZASJIQZAVBJGI-VIFPVBQESA-N 1 2 200.282 1.087 20 30 BDEDLO C#CC1(NC(=O)CNc2cccc[nH+]2)CCCC1 ZINC000922219390 643909046 /nfs/dbraw/zinc/90/90/46/643909046.db2.gz UNYQTCSJSXXIBY-UHFFFAOYSA-N 1 2 243.310 1.556 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922722704 644078553 /nfs/dbraw/zinc/07/85/53/644078553.db2.gz UTWIWSVLBXICRK-LBPRGKRZSA-N 1 2 233.271 1.647 20 30 BDEDLO C#CCN(C(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC000922819971 644109198 /nfs/dbraw/zinc/10/91/98/644109198.db2.gz AXUDTIUFJOOXMS-UHFFFAOYSA-N 1 2 248.330 1.016 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000951130893 644195993 /nfs/dbraw/zinc/19/59/93/644195993.db2.gz RQJYNFHAMXIIEW-GFCCVEGCSA-N 1 2 224.348 1.609 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC000952374925 644378674 /nfs/dbraw/zinc/37/86/74/644378674.db2.gz CILHDJWMMUHYSH-ZDUSSCGKSA-N 1 2 248.370 1.895 20 30 BDEDLO COCC[N@H+](CC#N)C[Si](C)(C)C ZINC000839086175 644557396 /nfs/dbraw/zinc/55/73/96/644557396.db2.gz RKLOKKQWXAJHHN-UHFFFAOYSA-N 1 2 200.358 1.336 20 30 BDEDLO COCC[N@@H+](CC#N)C[Si](C)(C)C ZINC000839086175 644557401 /nfs/dbraw/zinc/55/74/01/644557401.db2.gz RKLOKKQWXAJHHN-UHFFFAOYSA-N 1 2 200.358 1.336 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cccn2CC)CC1 ZINC000957661578 644747620 /nfs/dbraw/zinc/74/76/20/644747620.db2.gz MBVILWGKMWTCIB-UHFFFAOYSA-N 1 2 247.342 1.452 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000847017961 645418196 /nfs/dbraw/zinc/41/81/96/645418196.db2.gz GFNJVMGRYNQACB-GFCCVEGCSA-N 1 2 232.331 1.704 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000847017961 645418199 /nfs/dbraw/zinc/41/81/99/645418199.db2.gz GFNJVMGRYNQACB-GFCCVEGCSA-N 1 2 232.331 1.704 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)co2)CC1 ZINC000878423426 645814357 /nfs/dbraw/zinc/81/43/57/645814357.db2.gz HQGAQKHFZBZZOM-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO CC[C@H]([NH2+]CCO)c1cccc(C#N)c1O ZINC000924569711 646071090 /nfs/dbraw/zinc/07/10/90/646071090.db2.gz KOFYJYSOPAOHKJ-NSHDSACASA-N 1 2 220.272 1.297 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1snnc1C ZINC000929786158 646295348 /nfs/dbraw/zinc/29/53/48/646295348.db2.gz FMFOJIJAQYTQPZ-VIFPVBQESA-N 1 2 209.318 1.863 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1snnc1C ZINC000929786158 646295350 /nfs/dbraw/zinc/29/53/50/646295350.db2.gz FMFOJIJAQYTQPZ-VIFPVBQESA-N 1 2 209.318 1.863 20 30 BDEDLO COCC[N@@H+](C/C=C(/C)COC)CCC#N ZINC000929777235 646306047 /nfs/dbraw/zinc/30/60/47/646306047.db2.gz AMYXEWMYXYBWIF-XGICHPGQSA-N 1 2 226.320 1.441 20 30 BDEDLO COCC[N@H+](C/C=C(/C)COC)CCC#N ZINC000929777235 646306050 /nfs/dbraw/zinc/30/60/50/646306050.db2.gz AMYXEWMYXYBWIF-XGICHPGQSA-N 1 2 226.320 1.441 20 30 BDEDLO COC(=O)CN(CC#N)Cc1cc(C)cc(C)[nH+]1 ZINC000929789744 646316395 /nfs/dbraw/zinc/31/63/95/646316395.db2.gz YFPJYBDJISJUIX-UHFFFAOYSA-N 1 2 247.298 1.197 20 30 BDEDLO CC[C@H]([NH2+]CCN(C)C)c1cccc(C#N)c1O ZINC000926420838 646633977 /nfs/dbraw/zinc/63/39/77/646633977.db2.gz MZJVZTRBAIKPJM-ZDUSSCGKSA-N 1 2 247.342 1.866 20 30 BDEDLO N#CCCOCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000395406082 711694417 /nfs/dbraw/zinc/69/44/17/711694417.db2.gz VWLBRIMZCLBFNE-LLVKDONJSA-N 1 2 207.277 1.152 20 30 BDEDLO N#CCCOCC[N@H+]1CCC[C@H](C#N)C1 ZINC000395406082 711694418 /nfs/dbraw/zinc/69/44/18/711694418.db2.gz VWLBRIMZCLBFNE-LLVKDONJSA-N 1 2 207.277 1.152 20 30 BDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCC#N)CO1 ZINC000703310968 711874335 /nfs/dbraw/zinc/87/43/35/711874335.db2.gz ORFWMKXVZNWNQQ-VIFPVBQESA-N 1 2 241.291 1.041 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018206842 710662296 /nfs/dbraw/zinc/66/22/96/710662296.db2.gz YUZRVPNTXAYEDM-BETUJISGSA-N 1 2 248.370 1.731 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018206842 710662301 /nfs/dbraw/zinc/66/23/01/710662301.db2.gz YUZRVPNTXAYEDM-BETUJISGSA-N 1 2 248.370 1.731 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001038422580 710685391 /nfs/dbraw/zinc/68/53/91/710685391.db2.gz PTBPFSVGMMXWEU-LLVKDONJSA-N 1 2 248.326 1.832 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001038422580 710685394 /nfs/dbraw/zinc/68/53/94/710685394.db2.gz PTBPFSVGMMXWEU-LLVKDONJSA-N 1 2 248.326 1.832 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038660054 710699909 /nfs/dbraw/zinc/69/99/09/710699909.db2.gz DXASWHZNOMLJFI-AWEZNQCLSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038660054 710699912 /nfs/dbraw/zinc/69/99/12/710699912.db2.gz DXASWHZNOMLJFI-AWEZNQCLSA-N 1 2 246.354 1.557 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001038611548 710700234 /nfs/dbraw/zinc/70/02/34/710700234.db2.gz QJUABZPHTHWOTJ-LLVKDONJSA-N 1 2 234.299 1.578 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001038611548 710700238 /nfs/dbraw/zinc/70/02/38/710700238.db2.gz QJUABZPHTHWOTJ-LLVKDONJSA-N 1 2 234.299 1.578 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ocnc1CC ZINC001038674148 710701231 /nfs/dbraw/zinc/70/12/31/710701231.db2.gz LZRPLKKYCGSLAC-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ocnc1CC ZINC001038674148 710701234 /nfs/dbraw/zinc/70/12/34/710701234.db2.gz LZRPLKKYCGSLAC-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001038677832 710701767 /nfs/dbraw/zinc/70/17/67/710701767.db2.gz UPMQLERXPUJZCH-UMVBOHGHSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001038677832 710701769 /nfs/dbraw/zinc/70/17/69/710701769.db2.gz UPMQLERXPUJZCH-UMVBOHGHSA-N 1 2 246.354 1.390 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001042466097 710786572 /nfs/dbraw/zinc/78/65/72/710786572.db2.gz HHNJPZBFRYIBNQ-LBPRGKRZSA-N 1 2 234.343 1.671 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)C2CC2)C1 ZINC001042580802 710793206 /nfs/dbraw/zinc/79/32/06/710793206.db2.gz IHCYOCWZRICFNT-JTQLQIEISA-N 1 2 222.332 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC2(C)C)C1 ZINC001042616531 710793922 /nfs/dbraw/zinc/79/39/22/710793922.db2.gz PMDWYVPIZOIBJX-LLVKDONJSA-N 1 2 222.332 1.361 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001042694595 710796513 /nfs/dbraw/zinc/79/65/13/710796513.db2.gz MDJIMKIBPDQLAA-SNVBAGLBSA-N 1 2 244.285 1.360 20 30 BDEDLO CC(=[NH+]OC/C=C\Cl)c1ccc(N)nc1 ZINC000382168662 710802407 /nfs/dbraw/zinc/80/24/07/710802407.db2.gz VQNNJSFMJBPAHM-WLWPVCBVSA-N 1 2 225.679 1.987 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC001043553199 710808981 /nfs/dbraw/zinc/80/89/81/710808981.db2.gz CQWOSNKKKVFTMT-HNNXBMFYSA-N 1 2 246.354 1.509 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001043577873 710809656 /nfs/dbraw/zinc/80/96/56/710809656.db2.gz CDHMPRLVGFCFKC-GFCCVEGCSA-N 1 2 236.359 1.751 20 30 BDEDLO C#CCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000389903852 711097518 /nfs/dbraw/zinc/09/75/18/711097518.db2.gz FGNBPVHBWXFWGN-UHFFFAOYSA-N 1 2 200.245 1.653 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001038763699 710705462 /nfs/dbraw/zinc/70/54/62/710705462.db2.gz PYFHWGBUBXWLCF-NWDGAFQWSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001038763699 710705464 /nfs/dbraw/zinc/70/54/64/710705464.db2.gz PYFHWGBUBXWLCF-NWDGAFQWSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000383617923 710984948 /nfs/dbraw/zinc/98/49/48/710984948.db2.gz HEPSXEXSZPCQPS-AATRIKPKSA-N 1 2 244.294 1.070 20 30 BDEDLO Cc1cc(C)[nH+]c(Cn2ccnc2C#N)c1 ZINC000723637507 711528640 /nfs/dbraw/zinc/52/86/40/711528640.db2.gz WHFHDDYPYNIUIE-UHFFFAOYSA-N 1 2 212.256 1.815 20 30 BDEDLO N#Cc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000721501062 711566928 /nfs/dbraw/zinc/56/69/28/711566928.db2.gz QQKAOCQLFDRROA-PHIMTYICSA-N 1 2 235.237 1.650 20 30 BDEDLO N#Cc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000721501062 711566929 /nfs/dbraw/zinc/56/69/29/711566929.db2.gz QQKAOCQLFDRROA-PHIMTYICSA-N 1 2 235.237 1.650 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CCOC)no1 ZINC000934469629 711587782 /nfs/dbraw/zinc/58/77/82/711587782.db2.gz WUZFVFNETIPANM-JTQLQIEISA-N 1 2 237.303 1.409 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CCOC)no1 ZINC000934469629 711587783 /nfs/dbraw/zinc/58/77/83/711587783.db2.gz WUZFVFNETIPANM-JTQLQIEISA-N 1 2 237.303 1.409 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724646601 711604819 /nfs/dbraw/zinc/60/48/19/711604819.db2.gz NEMDZXFMQGFGOR-QNWHQSFQSA-N 1 2 236.315 1.026 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724646601 711604820 /nfs/dbraw/zinc/60/48/20/711604820.db2.gz NEMDZXFMQGFGOR-QNWHQSFQSA-N 1 2 236.315 1.026 20 30 BDEDLO CC[C@]1(C)COCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721545152 711620966 /nfs/dbraw/zinc/62/09/66/711620966.db2.gz QRBKVYZXJQPWKT-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@]1(C)COCC[N@H+]1Cc1cncc(C#N)c1 ZINC000721545152 711620967 /nfs/dbraw/zinc/62/09/67/711620967.db2.gz QRBKVYZXJQPWKT-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO C#CC[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721384814 711719311 /nfs/dbraw/zinc/71/93/11/711719311.db2.gz QMVIBJFJPJVGNU-ZETCQYMHSA-N 1 2 209.236 1.599 20 30 BDEDLO C#CC[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721384814 711719312 /nfs/dbraw/zinc/71/93/12/711719312.db2.gz QMVIBJFJPJVGNU-ZETCQYMHSA-N 1 2 209.236 1.599 20 30 BDEDLO C[C@@H]1C[N@H+](CCNc2cccnc2C#N)CCO1 ZINC000516693715 711768706 /nfs/dbraw/zinc/76/87/06/711768706.db2.gz QSIRVQWQYPHQMC-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1C[N@@H+](CCNc2cccnc2C#N)CCO1 ZINC000516693715 711768707 /nfs/dbraw/zinc/76/87/07/711768707.db2.gz QSIRVQWQYPHQMC-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN1CC[C@](F)(C#N)C1 ZINC000894531779 711771750 /nfs/dbraw/zinc/77/17/50/711771750.db2.gz COEGLAWHTPHAOI-LBPRGKRZSA-N 1 2 234.278 1.410 20 30 BDEDLO C#CC[N@@H+](Cc1nccnc1OC)C(C)C ZINC000897170816 711784872 /nfs/dbraw/zinc/78/48/72/711784872.db2.gz IPIMZXINBJOTTD-UHFFFAOYSA-N 1 2 219.288 1.329 20 30 BDEDLO C#CC[N@H+](Cc1nccnc1OC)C(C)C ZINC000897170816 711784873 /nfs/dbraw/zinc/78/48/73/711784873.db2.gz IPIMZXINBJOTTD-UHFFFAOYSA-N 1 2 219.288 1.329 20 30 BDEDLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928800131 711786852 /nfs/dbraw/zinc/78/68/52/711786852.db2.gz IUQRYUORRLMBPE-HTQZYQBOSA-N 1 2 249.236 1.041 20 30 BDEDLO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928800131 711786853 /nfs/dbraw/zinc/78/68/53/711786853.db2.gz IUQRYUORRLMBPE-HTQZYQBOSA-N 1 2 249.236 1.041 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)C)C1 ZINC001032928726 711968891 /nfs/dbraw/zinc/96/88/91/711968891.db2.gz NCTIEZKRZVUKKD-NSHDSACASA-N 1 2 244.766 1.928 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)C)C1 ZINC001032928726 711968893 /nfs/dbraw/zinc/96/88/93/711968893.db2.gz NCTIEZKRZVUKKD-NSHDSACASA-N 1 2 244.766 1.928 20 30 BDEDLO Cc1ccc(C[NH2+]Cc2cnn(C)n2)cc1C#N ZINC000701842500 712031405 /nfs/dbraw/zinc/03/14/05/712031405.db2.gz FDKISEGMHKLZJD-UHFFFAOYSA-N 1 2 241.298 1.285 20 30 BDEDLO C#CC1(O)CC[NH+](CC(=C)Br)CC1 ZINC000606289549 712352528 /nfs/dbraw/zinc/35/25/28/712352528.db2.gz DGURASQYYMNBQM-UHFFFAOYSA-N 1 2 244.132 1.355 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721502031 712390321 /nfs/dbraw/zinc/39/03/21/712390321.db2.gz KSRRWHQFHJTDOF-DTWKUNHWSA-N 1 2 236.237 1.942 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721502031 712390323 /nfs/dbraw/zinc/39/03/23/712390323.db2.gz KSRRWHQFHJTDOF-DTWKUNHWSA-N 1 2 236.237 1.942 20 30 BDEDLO C#CC[C@H](COC)Nc1[nH+]cccc1OC ZINC000716381130 712557606 /nfs/dbraw/zinc/55/76/06/712557606.db2.gz QWZCJSSBCQBUEM-SNVBAGLBSA-N 1 2 220.272 1.540 20 30 BDEDLO C#CCC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886967310 712658742 /nfs/dbraw/zinc/65/87/42/712658742.db2.gz XDHIZMAYCULQTD-RYUDHWBXSA-N 1 2 239.315 1.100 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C(=O)OC)[C@H](C)CC ZINC000930589964 712712989 /nfs/dbraw/zinc/71/29/89/712712989.db2.gz OYKBOHDCEPORMO-GHMZBOCLSA-N 1 2 211.305 1.529 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C(=O)OC)[C@H](C)CC ZINC000930589964 712712991 /nfs/dbraw/zinc/71/29/91/712712991.db2.gz OYKBOHDCEPORMO-GHMZBOCLSA-N 1 2 211.305 1.529 20 30 BDEDLO C=CC[NH+]1CCN(c2ncc(C)cc2F)CC1 ZINC001165033286 721863435 /nfs/dbraw/zinc/86/34/35/721863435.db2.gz JCVGQGBAVMBLEX-UHFFFAOYSA-N 1 2 235.306 1.837 20 30 BDEDLO C=C[C@H](CC)CC(=O)NC1C[NH+](CC(=C)C)C1 ZINC001268437124 961770654 /nfs/dbraw/zinc/77/06/54/961770654.db2.gz HAIZAVFLCDIKBY-GFCCVEGCSA-N 1 2 236.359 1.965 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC2CC(C)(C)C2)C1 ZINC001030831800 965509431 /nfs/dbraw/zinc/50/94/31/965509431.db2.gz SXGGYDYJJAIQDZ-UHFFFAOYSA-N 1 2 236.359 1.799 20 30 BDEDLO C=C1CC=C(F)C=C1[NH2+]CC1(O)CCOCC1 ZINC001252975707 969067506 /nfs/dbraw/zinc/06/75/06/969067506.db2.gz GQEMBBYADLHQSA-UHFFFAOYSA-N 1 2 239.290 1.815 20 30 BDEDLO C=C[C@@H](O)CNc1cc(Cl)c2[nH+]ccn2c1 ZINC001253571795 969242203 /nfs/dbraw/zinc/24/22/03/969242203.db2.gz IEPKXJFWESTTPD-SECBINFHSA-N 1 2 237.690 1.947 20 30 BDEDLO CC(=O)N1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001254416029 969613620 /nfs/dbraw/zinc/61/36/20/969613620.db2.gz KLLUSWWZIOKXBL-ZDUSSCGKSA-N 1 2 237.347 1.525 20 30 BDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)COC ZINC001255558866 970339918 /nfs/dbraw/zinc/33/99/18/970339918.db2.gz ZCKIEKVHKKVOIT-RYUDHWBXSA-N 1 2 243.347 1.755 20 30 BDEDLO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@H](C#N)C2)C1 ZINC001256037805 970622835 /nfs/dbraw/zinc/62/28/35/970622835.db2.gz JIKMPUYQHATPKB-MNOVXSKESA-N 1 2 237.303 1.063 20 30 BDEDLO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@H](C#N)C2)C1 ZINC001256037805 970622845 /nfs/dbraw/zinc/62/28/45/970622845.db2.gz JIKMPUYQHATPKB-MNOVXSKESA-N 1 2 237.303 1.063 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CCC(C)C ZINC001256352783 970749767 /nfs/dbraw/zinc/74/97/67/970749767.db2.gz KRENOJWQJBOZDD-ZJUUUORDSA-N 1 2 233.377 1.872 20 30 BDEDLO COC(=O)CCCC[C@@H](C)[N@H+](C)[C@@H](C)C#N ZINC001173460391 975396761 /nfs/dbraw/zinc/39/67/61/975396761.db2.gz XCSAVHMOPFFJOQ-MNOVXSKESA-N 1 2 226.320 1.952 20 30 BDEDLO COC(=O)CCCC[C@@H](C)[N@@H+](C)[C@@H](C)C#N ZINC001173460391 975396773 /nfs/dbraw/zinc/39/67/73/975396773.db2.gz XCSAVHMOPFFJOQ-MNOVXSKESA-N 1 2 226.320 1.952 20 30 BDEDLO Cc1nnn([NH+]=CC2(C)CCOCC2)c1C ZINC001333643453 975899546 /nfs/dbraw/zinc/89/95/46/975899546.db2.gz RDNDMPSJBPCCRF-UHFFFAOYSA-N 1 2 222.292 1.546 20 30 BDEDLO C#CC1(O)C[NH+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001176792628 978178821 /nfs/dbraw/zinc/17/88/21/978178821.db2.gz FMYHIFSIOLQAOT-STQMWFEESA-N 1 2 221.344 1.883 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232972961 978374314 /nfs/dbraw/zinc/37/43/14/978374314.db2.gz IFKIUEGQHAHOEC-UHFFFAOYSA-N 1 2 211.211 1.735 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232972961 978374325 /nfs/dbraw/zinc/37/43/25/978374325.db2.gz IFKIUEGQHAHOEC-UHFFFAOYSA-N 1 2 211.211 1.735 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000410 978486192 /nfs/dbraw/zinc/48/61/92/978486192.db2.gz NEWPUHHHLGLQMT-JTQLQIEISA-N 1 2 234.303 1.397 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC001602829443 979282113 /nfs/dbraw/zinc/28/21/13/979282113.db2.gz NVULXMBNEHWJNB-LLVKDONJSA-N 1 2 237.303 1.234 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC001602829443 979282120 /nfs/dbraw/zinc/28/21/20/979282120.db2.gz NVULXMBNEHWJNB-LLVKDONJSA-N 1 2 237.303 1.234 20 30 BDEDLO C#CCC1([NH2+]CC(=O)OC(C)C)CCOCC1 ZINC001331705706 974796157 /nfs/dbraw/zinc/79/61/57/974796157.db2.gz IJIUDJYZUUQCRW-UHFFFAOYSA-N 1 2 239.315 1.100 20 30 BDEDLO CCOC1CCC([NH+]2CC(C#N)C2)CC1 ZINC001256437309 970840629 /nfs/dbraw/zinc/84/06/29/970840629.db2.gz XVDCLWJWKPVMMK-UHFFFAOYSA-N 1 2 208.305 1.789 20 30 BDEDLO CC1(C#N)C[NH+](C2CCC(C#N)CC2)C1 ZINC001256965651 971043571 /nfs/dbraw/zinc/04/35/71/971043571.db2.gz WOHGZQABLWVYTP-UHFFFAOYSA-N 1 2 203.289 1.914 20 30 BDEDLO C#Cc1cc(Nc2cccc(O)c2OC)cc[nH+]1 ZINC001216346453 971056274 /nfs/dbraw/zinc/05/62/74/971056274.db2.gz ARRHUUCNDYDDDJ-UHFFFAOYSA-N 1 2 240.262 1.943 20 30 BDEDLO CC#CC[N@H+]1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001170537734 971125483 /nfs/dbraw/zinc/12/54/83/971125483.db2.gz MYRVXHPVTZTBBQ-BPCQOVAHSA-N 1 2 235.327 1.816 20 30 BDEDLO CC#CC[N@@H+]1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001170537734 971125491 /nfs/dbraw/zinc/12/54/91/971125491.db2.gz MYRVXHPVTZTBBQ-BPCQOVAHSA-N 1 2 235.327 1.816 20 30 BDEDLO C=C1C[C@@H]2CC(N3CC[NH2+]C[C@@H]3C#N)C[C@H](C1)C2 ZINC001257892302 971528251 /nfs/dbraw/zinc/52/82/51/971528251.db2.gz WYQSGSXQWMLDJK-IXXDHKBRSA-N 1 2 245.370 1.919 20 30 BDEDLO N#CC1C[NH+](C2CCC3(COC3)CC2)C1 ZINC001257904110 971533763 /nfs/dbraw/zinc/53/37/63/971533763.db2.gz AWWRXKOASYMRRZ-UHFFFAOYSA-N 1 2 206.289 1.401 20 30 BDEDLO C#C[C@](C)([NH3+])C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001218501186 971839629 /nfs/dbraw/zinc/83/96/29/971839629.db2.gz GQMXJPCEYLRILQ-ZDUSSCGKSA-N 1 2 242.282 1.160 20 30 BDEDLO C#Cc1cc(Nc2ccnn2CCC)cc[nH+]1 ZINC001210911940 957928640 /nfs/dbraw/zinc/92/86/40/957928640.db2.gz DXOKUOAFDHWRDG-UHFFFAOYSA-N 1 2 226.283 1.835 20 30 BDEDLO C#Cc1cc(Nc2cncc(OC)c2C)cc[nH+]1 ZINC001215730541 958293965 /nfs/dbraw/zinc/29/39/65/958293965.db2.gz QEBXDQZFVDTJBI-UHFFFAOYSA-N 1 2 239.278 1.940 20 30 BDEDLO CC(C)(C#N)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001143405014 958515978 /nfs/dbraw/zinc/51/59/78/958515978.db2.gz SEGCRDNRSRVCOY-UHFFFAOYSA-N 1 2 246.314 1.774 20 30 BDEDLO C#Cc1cc(Nc2cnc(F)c(OC)c2)cc[nH+]1 ZINC001216418849 958888935 /nfs/dbraw/zinc/88/89/35/958888935.db2.gz ZAMGZOWKJHKWJN-UHFFFAOYSA-N 1 2 243.241 1.771 20 30 BDEDLO N#CCc1cccnc1NCc1cc[nH+]c(N)c1 ZINC001167615195 959079721 /nfs/dbraw/zinc/07/97/21/959079721.db2.gz RSDNLSPWIDZSPK-UHFFFAOYSA-N 1 2 239.282 1.737 20 30 BDEDLO Cc1cnc(NCc2cc[nH+]c(N)c2)cc1C#N ZINC001167617042 959081664 /nfs/dbraw/zinc/08/16/64/959081664.db2.gz KDXCCORGHVVPJQ-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000692389624 959164971 /nfs/dbraw/zinc/16/49/71/959164971.db2.gz KYLLLXCEHSOUMR-LBPRGKRZSA-N 1 2 231.299 1.145 20 30 BDEDLO C=C(C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001167670062 959343911 /nfs/dbraw/zinc/34/39/11/959343911.db2.gz YNQQCMZJWWTOBT-UHFFFAOYSA-N 1 2 234.303 1.279 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H](C)C2CC2)C1 ZINC001267672279 960190307 /nfs/dbraw/zinc/19/03/07/960190307.db2.gz UDARTADSVDRZFO-NSHDSACASA-N 1 2 234.343 1.246 20 30 BDEDLO C[C@H](C(=O)NCC(C)(C)CC#N)n1cc[nH+]c1 ZINC001141962582 961193912 /nfs/dbraw/zinc/19/39/12/961193912.db2.gz VJGJBZGBNAXGTE-SNVBAGLBSA-N 1 2 234.303 1.500 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC001139772887 961500326 /nfs/dbraw/zinc/50/03/26/961500326.db2.gz SJGQOWRINIRMGL-UHFFFAOYSA-N 1 2 247.342 1.824 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCOCC23CCC3)cn1 ZINC001139772887 961500350 /nfs/dbraw/zinc/50/03/50/961500350.db2.gz SJGQOWRINIRMGL-UHFFFAOYSA-N 1 2 247.342 1.824 20 30 BDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1C[C@H]2C[C@H]2C1)C(=O)OCC ZINC001167908625 961806055 /nfs/dbraw/zinc/80/60/55/961806055.db2.gz IOPNXXIZKQIABH-GHMOJZLGSA-N 1 2 235.327 1.882 20 30 BDEDLO COC1C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911785 961827594 /nfs/dbraw/zinc/82/75/94/961827594.db2.gz JQRPJHYHZLFYPQ-UHFFFAOYSA-N 1 2 241.294 1.870 20 30 BDEDLO Cc1ccc(CN(C)[C@@H](C)C#N)c(N)[nH+]1 ZINC001143207464 961945546 /nfs/dbraw/zinc/94/55/46/961945546.db2.gz YDRDIARYQKDWKF-VIFPVBQESA-N 1 2 204.277 1.316 20 30 BDEDLO Cc1ccc(CN2CCCC[C@H]2C#N)c(N)[nH+]1 ZINC001143210022 961953994 /nfs/dbraw/zinc/95/39/94/961953994.db2.gz YCLRCKRPIYYFTD-LBPRGKRZSA-N 1 2 230.315 1.850 20 30 BDEDLO C#CCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000065304437 963264867 /nfs/dbraw/zinc/26/48/67/963264867.db2.gz QSPIBBVCIZFDMN-UHFFFAOYSA-N 1 2 247.298 1.139 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1ncc(C)cn1 ZINC000692631590 963442634 /nfs/dbraw/zinc/44/26/34/963442634.db2.gz CCVVQPWOHKBFLN-GFCCVEGCSA-N 1 2 203.289 1.677 20 30 BDEDLO C=C(C)CNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156974983 963505840 /nfs/dbraw/zinc/50/58/40/963505840.db2.gz DHNZRUXPVVBWBC-UHFFFAOYSA-N 1 2 230.271 1.451 20 30 BDEDLO C#CCN(CC#C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001157562523 963663321 /nfs/dbraw/zinc/66/33/21/963663321.db2.gz PZKSCYCVGPEDEB-UHFFFAOYSA-N 1 2 227.311 1.981 20 30 BDEDLO C#CCN(CC#C)c1[nH+]ccc(C)c1NC(C)=O ZINC001157562487 963664054 /nfs/dbraw/zinc/66/40/54/963664054.db2.gz NRPRZUHAZISZAG-UHFFFAOYSA-N 1 2 241.294 1.421 20 30 BDEDLO CC(C)(C)[C@H](CO)Nc1cc(CC#N)cc[nH+]1 ZINC001157758408 963720339 /nfs/dbraw/zinc/72/03/39/963720339.db2.gz FGSZDAPDNHOAJM-NSHDSACASA-N 1 2 233.315 1.967 20 30 BDEDLO N#Cc1cccc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095386 964251215 /nfs/dbraw/zinc/25/12/15/964251215.db2.gz FWTABCPKDUKKGH-UHFFFAOYSA-N 1 2 240.266 1.814 20 30 BDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C#CC1CCCCC1 ZINC001272147764 964287195 /nfs/dbraw/zinc/28/71/95/964287195.db2.gz CTGAFLRVTJGDNK-OKILXGFUSA-N 1 2 246.354 1.485 20 30 BDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C#CC1CCCCC1 ZINC001272147764 964287207 /nfs/dbraw/zinc/28/72/07/964287207.db2.gz CTGAFLRVTJGDNK-OKILXGFUSA-N 1 2 246.354 1.485 20 30 BDEDLO N#CCc1ccc[nH+]c1NCc1ccc(=O)[nH]c1 ZINC001168301472 964395993 /nfs/dbraw/zinc/39/59/93/964395993.db2.gz LYXCYFSEAFJQJP-UHFFFAOYSA-N 1 2 240.266 1.860 20 30 BDEDLO N#CCc1nccnc1NCCCn1cc[nH+]c1 ZINC001161681266 964681908 /nfs/dbraw/zinc/68/19/08/964681908.db2.gz NNGSOEMOZGKILL-UHFFFAOYSA-N 1 2 242.286 1.241 20 30 BDEDLO N#CCc1ccc[nH+]c1NC1CCOCC1 ZINC001161858802 964795441 /nfs/dbraw/zinc/79/54/41/964795441.db2.gz GYXIOXBDSCVKKZ-UHFFFAOYSA-N 1 2 217.272 1.739 20 30 BDEDLO N#CC1(c2cc[nH+]c(NC3(C(N)=O)CC3)c2)CC1 ZINC001162547357 965037179 /nfs/dbraw/zinc/03/71/79/965037179.db2.gz AWONHDUVDMEIIO-UHFFFAOYSA-N 1 2 242.282 1.067 20 30 BDEDLO C[N@@H+]1CCO[C@@H](CNc2cc(C#N)ccc2F)C1 ZINC001162683368 965113910 /nfs/dbraw/zinc/11/39/10/965113910.db2.gz FFZHVKPWGXWVHX-NSHDSACASA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCO[C@@H](CNc2cc(C#N)ccc2F)C1 ZINC001162683368 965113926 /nfs/dbraw/zinc/11/39/26/965113926.db2.gz FFZHVKPWGXWVHX-NSHDSACASA-N 1 2 249.289 1.440 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001030087828 965134542 /nfs/dbraw/zinc/13/45/42/965134542.db2.gz BDTXFTMDAWZSDK-GFCCVEGCSA-N 1 2 232.327 1.166 20 30 BDEDLO C#CCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001163366746 965370757 /nfs/dbraw/zinc/37/07/57/965370757.db2.gz HTKRBILMNZQLAH-UHFFFAOYSA-N 1 2 211.268 1.977 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001483678871 965438485 /nfs/dbraw/zinc/43/84/85/965438485.db2.gz CRMSOPUKFHGOIY-VIFPVBQESA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001483678871 965438489 /nfs/dbraw/zinc/43/84/89/965438489.db2.gz CRMSOPUKFHGOIY-VIFPVBQESA-N 1 2 244.285 1.101 20 30 BDEDLO C=CCC[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC001122463144 965852987 /nfs/dbraw/zinc/85/29/87/965852987.db2.gz XFUIVLNPUKYJCM-VHSXEESVSA-N 1 2 246.301 1.926 20 30 BDEDLO C=CCC[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC001122463142 965855147 /nfs/dbraw/zinc/85/51/47/965855147.db2.gz XFUIVLNPUKYJCM-NXEZZACHSA-N 1 2 246.301 1.926 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2ccccc2n1 ZINC001164626847 965934511 /nfs/dbraw/zinc/93/45/11/965934511.db2.gz OSHGWPBOMQQMJB-GFCCVEGCSA-N 1 2 238.294 1.537 20 30 BDEDLO CSCc1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164661325 965940074 /nfs/dbraw/zinc/94/00/74/965940074.db2.gz LHEJDSFPHNMFEV-LLVKDONJSA-N 1 2 248.355 1.246 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1cccc(C2CC2)n1 ZINC001164661700 965942900 /nfs/dbraw/zinc/94/29/00/965942900.db2.gz NKJAOEQSGOLNBH-LLVKDONJSA-N 1 2 228.299 1.261 20 30 BDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC)C1 ZINC001107689679 966818081 /nfs/dbraw/zinc/81/80/81/966818081.db2.gz VFFCJPZTABYJEZ-CYBMUJFWSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC)C1 ZINC001107689679 966818086 /nfs/dbraw/zinc/81/80/86/966818086.db2.gz VFFCJPZTABYJEZ-CYBMUJFWSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)n1 ZINC001032368598 966836515 /nfs/dbraw/zinc/83/65/15/966836515.db2.gz YOBSGEJKPDIPDR-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)n1 ZINC001032368598 966836518 /nfs/dbraw/zinc/83/65/18/966836518.db2.gz YOBSGEJKPDIPDR-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccoc2)CC1 ZINC001204243474 966943606 /nfs/dbraw/zinc/94/36/06/966943606.db2.gz UQJQMCMRESLJAI-UHFFFAOYSA-N 1 2 206.289 1.583 20 30 BDEDLO CCCCN(CC#N)Cc1[nH]c[nH+]c1C ZINC001204591729 967086776 /nfs/dbraw/zinc/08/67/76/967086776.db2.gz HJAYIUPRNJVRSU-UHFFFAOYSA-N 1 2 206.293 1.844 20 30 BDEDLO C=CCCCC(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001272884711 967210659 /nfs/dbraw/zinc/21/06/59/967210659.db2.gz CMKMPFGADDXSGA-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCCC(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001272884711 967210666 /nfs/dbraw/zinc/21/06/66/967210666.db2.gz CMKMPFGADDXSGA-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccn1 ZINC001249998088 967250754 /nfs/dbraw/zinc/25/07/54/967250754.db2.gz KUVRLLMGBAEYHP-UHFFFAOYSA-N 1 2 231.299 1.826 20 30 BDEDLO C[C@H]1CC(=O)C=C(CC[NH+]2CCOCC2)C1 ZINC001250277323 967607531 /nfs/dbraw/zinc/60/75/31/967607531.db2.gz DCICWMWMZKLOSS-LLVKDONJSA-N 1 2 223.316 1.634 20 30 BDEDLO C[NH+]1CC(OCc2ccccc2C#N)C1 ZINC001205580246 967705758 /nfs/dbraw/zinc/70/57/58/967705758.db2.gz WCGYZNNNMVVYOH-UHFFFAOYSA-N 1 2 202.257 1.389 20 30 BDEDLO CNc1ccc(Nc2ccnc(C#N)c2)c[nH+]1 ZINC001203448762 967766432 /nfs/dbraw/zinc/76/64/32/967766432.db2.gz IWLLJOIIJVCJIC-UHFFFAOYSA-N 1 2 225.255 1.555 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC001251195084 968272519 /nfs/dbraw/zinc/27/25/19/968272519.db2.gz XNNMVEPJCVKDKU-QWHCGFSZSA-N 1 2 246.310 1.272 20 30 BDEDLO N#C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC001251195084 968272523 /nfs/dbraw/zinc/27/25/23/968272523.db2.gz XNNMVEPJCVKDKU-QWHCGFSZSA-N 1 2 246.310 1.272 20 30 BDEDLO C#CCOC[C@H](O)CNc1ccc(C)[nH+]c1C ZINC001251819313 968351323 /nfs/dbraw/zinc/35/13/23/968351323.db2.gz MTUJSOSHEXMCLQ-GFCCVEGCSA-N 1 2 234.299 1.121 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc(=O)[nH]2)C1 ZINC001207065427 968594432 /nfs/dbraw/zinc/59/44/32/968594432.db2.gz PEUKMZFEAGISRA-UHFFFAOYSA-N 1 2 203.245 1.133 20 30 BDEDLO Cn1cc(C[NH+]2CC(CC#N)C2)cc1C#N ZINC001207101638 968631231 /nfs/dbraw/zinc/63/12/31/968631231.db2.gz NRUDWDCWICGPIH-UHFFFAOYSA-N 1 2 214.272 1.242 20 30 BDEDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109623 968633654 /nfs/dbraw/zinc/63/36/54/968633654.db2.gz OLMFWFZRAMOPJO-CQSZACIVSA-N 1 2 245.326 1.840 20 30 BDEDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109623 968633660 /nfs/dbraw/zinc/63/36/60/968633660.db2.gz OLMFWFZRAMOPJO-CQSZACIVSA-N 1 2 245.326 1.840 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2cncnc2)cc1C#N ZINC001207108886 968635608 /nfs/dbraw/zinc/63/56/08/968635608.db2.gz PMHPWGHRNSCGLF-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2cncnc2)cc1C#N ZINC001207108886 968635615 /nfs/dbraw/zinc/63/56/15/968635615.db2.gz PMHPWGHRNSCGLF-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO N#CCc1cc[nH+]c(NCc2ncon2)c1 ZINC001154896179 968730532 /nfs/dbraw/zinc/73/05/32/968730532.db2.gz KEXACZPZJFNVKV-UHFFFAOYSA-N 1 2 215.216 1.143 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520378 968781852 /nfs/dbraw/zinc/78/18/52/968781852.db2.gz LTUSGSDIQDWLFR-LLVKDONJSA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085520378 968781860 /nfs/dbraw/zinc/78/18/60/968781860.db2.gz LTUSGSDIQDWLFR-LLVKDONJSA-N 1 2 248.330 1.050 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001252571245 968821090 /nfs/dbraw/zinc/82/10/90/968821090.db2.gz GPICROQCPOGCBN-JOYOIKCWSA-N 1 2 229.320 1.243 20 30 BDEDLO CC1(C[N@@H+]2CCC3SC(=O)C=C3C2)COC1 ZINC001207791334 968881291 /nfs/dbraw/zinc/88/12/91/968881291.db2.gz NGHMVNWONPXAHZ-SNVBAGLBSA-N 1 2 239.340 1.297 20 30 BDEDLO CC1(C[N@H+]2CCC3SC(=O)C=C3C2)COC1 ZINC001207791334 968881300 /nfs/dbraw/zinc/88/13/00/968881300.db2.gz NGHMVNWONPXAHZ-SNVBAGLBSA-N 1 2 239.340 1.297 20 30 BDEDLO CC1(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)COC1 ZINC001207791334 968881304 /nfs/dbraw/zinc/88/13/04/968881304.db2.gz NGHMVNWONPXAHZ-SNVBAGLBSA-N 1 2 239.340 1.297 20 30 BDEDLO CC1(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)COC1 ZINC001207791334 968881309 /nfs/dbraw/zinc/88/13/09/968881309.db2.gz NGHMVNWONPXAHZ-SNVBAGLBSA-N 1 2 239.340 1.297 20 30 BDEDLO C#CCNc1[nH+]cc(C)cc1/C=C/C(=O)OC ZINC001155654504 969046172 /nfs/dbraw/zinc/04/61/72/969046172.db2.gz ZAUSYQRVSAQOMJ-AATRIKPKSA-N 1 2 230.267 1.621 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC001253455319 969183517 /nfs/dbraw/zinc/18/35/17/969183517.db2.gz FULMTZBTSGGTEB-MNOVXSKESA-N 1 2 226.320 1.008 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC001253455319 969183521 /nfs/dbraw/zinc/18/35/21/969183521.db2.gz FULMTZBTSGGTEB-MNOVXSKESA-N 1 2 226.320 1.008 20 30 BDEDLO Cc1cc(C#N)nc(-c2c[nH+]c(N)cc2C)n1 ZINC001242073106 969198141 /nfs/dbraw/zinc/19/81/41/969198141.db2.gz XYQHLJIDLYFPQZ-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001253580098 969255486 /nfs/dbraw/zinc/25/54/86/969255486.db2.gz WHBOKCNAVKDOKV-GHMZBOCLSA-N 1 2 237.303 1.452 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001253580098 969255494 /nfs/dbraw/zinc/25/54/94/969255494.db2.gz WHBOKCNAVKDOKV-GHMZBOCLSA-N 1 2 237.303 1.452 20 30 BDEDLO C=C[C@@H](O)CNc1cccc(Cn2cc[nH+]c2)c1 ZINC001253589893 969275817 /nfs/dbraw/zinc/27/58/17/969275817.db2.gz JLDNKRVDEOPDSK-CQSZACIVSA-N 1 2 243.310 1.890 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](CCCCC)C(=O)OC ZINC001253610465 969312901 /nfs/dbraw/zinc/31/29/01/969312901.db2.gz DVMVNFQQPWEZSK-MNOVXSKESA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCN(CC[N@H+](C)CC(C)=O)C(=O)OCC ZINC001209017463 969320258 /nfs/dbraw/zinc/32/02/58/969320258.db2.gz PNUGYNNNXAZEGV-UHFFFAOYSA-N 1 2 242.319 1.152 20 30 BDEDLO C=CCN(CC[N@@H+](C)CC(C)=O)C(=O)OCC ZINC001209017463 969320261 /nfs/dbraw/zinc/32/02/61/969320261.db2.gz PNUGYNNNXAZEGV-UHFFFAOYSA-N 1 2 242.319 1.152 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046906 969363859 /nfs/dbraw/zinc/36/38/59/969363859.db2.gz OGQNEMTYUFMROP-KXUCPTDWSA-N 1 2 211.265 1.276 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046906 969363863 /nfs/dbraw/zinc/36/38/63/969363863.db2.gz OGQNEMTYUFMROP-KXUCPTDWSA-N 1 2 211.265 1.276 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncoc1C(C)C ZINC001254076901 969480694 /nfs/dbraw/zinc/48/06/94/969480694.db2.gz JXBMLEMFDQCWSL-UHFFFAOYSA-N 1 2 236.315 1.880 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncoc1C(C)C ZINC001254076901 969480700 /nfs/dbraw/zinc/48/07/00/969480700.db2.gz JXBMLEMFDQCWSL-UHFFFAOYSA-N 1 2 236.315 1.880 20 30 BDEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccn1 ZINC001209637660 969569625 /nfs/dbraw/zinc/56/96/25/969569625.db2.gz MWMHGDHBIUAYJN-UHFFFAOYSA-N 1 2 217.272 1.436 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1cc(C2CC2)ccn1 ZINC001156320325 969637921 /nfs/dbraw/zinc/63/79/21/969637921.db2.gz XNLOMKNJHILZIB-LBPRGKRZSA-N 1 2 228.299 1.261 20 30 BDEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H]2NC(=O)c3ccccc32)C1 ZINC001254646023 969760458 /nfs/dbraw/zinc/76/04/58/969760458.db2.gz JAUNBFYZSUTFLA-NRUUGDAUSA-N 1 2 241.294 1.710 20 30 BDEDLO Cc1nnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC001254647954 969762793 /nfs/dbraw/zinc/76/27/93/969762793.db2.gz JAUXKBGTVJBSPK-DTWKUNHWSA-N 1 2 206.249 1.160 20 30 BDEDLO CC1(C#N)C[NH+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169939038 969886294 /nfs/dbraw/zinc/88/62/94/969886294.db2.gz UAGYLBWIJJLSBE-NSHDSACASA-N 1 2 236.315 1.518 20 30 BDEDLO CNC(=O)[C@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001169985201 969935461 /nfs/dbraw/zinc/93/54/61/969935461.db2.gz YNCIPWBKEJKCJA-VIFPVBQESA-N 1 2 244.298 1.183 20 30 BDEDLO CC1(C)CC([NH+]2CC(C#N)C2)CC(C)(C)N1O ZINC001169994143 969967913 /nfs/dbraw/zinc/96/79/13/969967913.db2.gz ZJZQAVBAUCHHNL-UHFFFAOYSA-N 1 2 237.347 1.853 20 30 BDEDLO CC[C@@H](CC#N)N1CCn2c[nH+]cc2C1 ZINC001255172471 969985485 /nfs/dbraw/zinc/98/54/85/969985485.db2.gz ASEHJXYFJAHDAM-JTQLQIEISA-N 1 2 204.277 1.391 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001255177358 969991995 /nfs/dbraw/zinc/99/19/95/969991995.db2.gz QHTDRBUWTBNXTC-NWDGAFQWSA-N 1 2 246.314 1.622 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001255177358 969992004 /nfs/dbraw/zinc/99/20/04/969992004.db2.gz QHTDRBUWTBNXTC-NWDGAFQWSA-N 1 2 246.314 1.622 20 30 BDEDLO Cc1nc(C#N)cc(NCc2cc[nH+]c(N)c2)n1 ZINC001156764027 969997464 /nfs/dbraw/zinc/99/74/64/969997464.db2.gz OJPFJTRHMJWSLD-UHFFFAOYSA-N 1 2 240.270 1.246 20 30 BDEDLO O=C1C=C2C[N@H+]([C@H]3CCSC3)CCC2S1 ZINC001255283813 970043697 /nfs/dbraw/zinc/04/36/97/970043697.db2.gz CDIVEVZIZVGIFH-UWVGGRQHSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@H]3CCSC3)CCC2S1 ZINC001255283813 970043704 /nfs/dbraw/zinc/04/37/04/970043704.db2.gz CDIVEVZIZVGIFH-UWVGGRQHSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@H+]([C@H]3CCSC3)CC[C@@H]2S1 ZINC001255283813 970043712 /nfs/dbraw/zinc/04/37/12/970043712.db2.gz CDIVEVZIZVGIFH-UWVGGRQHSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@H]3CCSC3)CC[C@@H]2S1 ZINC001255283813 970043716 /nfs/dbraw/zinc/04/37/16/970043716.db2.gz CDIVEVZIZVGIFH-UWVGGRQHSA-N 1 2 241.381 1.766 20 30 BDEDLO C#CCCCC(=O)N1CC[NH+](CC=C)CC1 ZINC001112801279 970187754 /nfs/dbraw/zinc/18/77/54/970187754.db2.gz MNVZEFKXBMGYBY-UHFFFAOYSA-N 1 2 220.316 1.120 20 30 BDEDLO CC[C@@H]1C[C@H]([NH2+][C@@H](CS)C(=O)OC)CCO1 ZINC001170170178 970544079 /nfs/dbraw/zinc/54/40/79/970544079.db2.gz RYFUZWCSEDBTOQ-BBBLOLIVSA-N 1 2 247.360 1.005 20 30 BDEDLO C=C1O[C@H](C)C(=O)C1OCc1c[nH+]cn1C ZINC001222594004 972592431 /nfs/dbraw/zinc/59/24/31/972592431.db2.gz BFRZPQSSEIFBQF-SSDOTTSWSA-N 1 2 222.244 1.156 20 30 BDEDLO COC(=O)C[C@H](C)Nc1cc(CC#N)cc[nH+]1 ZINC001160533153 972727990 /nfs/dbraw/zinc/72/79/90/972727990.db2.gz NJMPFEBUTSRZJR-VIFPVBQESA-N 1 2 233.271 1.511 20 30 BDEDLO COC(=O)C[C@@H](C)Nc1cc(CC#N)cc[nH+]1 ZINC001160533152 972730474 /nfs/dbraw/zinc/73/04/74/972730474.db2.gz NJMPFEBUTSRZJR-SECBINFHSA-N 1 2 233.271 1.511 20 30 BDEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC2(CCO2)C1 ZINC001171224678 973006258 /nfs/dbraw/zinc/00/62/58/973006258.db2.gz UCTWUHQJXDNYIW-LBPRGKRZSA-N 1 2 242.322 1.964 20 30 BDEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C)C2)cc1 ZINC001148463424 973844369 /nfs/dbraw/zinc/84/43/69/973844369.db2.gz BOKJXIXWVWHFMO-UHFFFAOYSA-N 1 2 246.310 1.295 20 30 BDEDLO CN(C)c1ncccc1C=[NH+]NCC(F)(F)F ZINC001329715446 973893032 /nfs/dbraw/zinc/89/30/32/973893032.db2.gz RKBDBBNUHYGHQE-UHFFFAOYSA-N 1 2 246.236 1.633 20 30 BDEDLO C=CC(C)(C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094060649 974043046 /nfs/dbraw/zinc/04/30/46/974043046.db2.gz NGSKBDSBDQDOFH-UHFFFAOYSA-N 1 2 248.330 1.525 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171794168 974188293 /nfs/dbraw/zinc/18/82/93/974188293.db2.gz OJQYLCMXESUGDB-NEPJUHHUSA-N 1 2 245.301 1.090 20 30 BDEDLO Cc1[nH+]cc(C=NNC2CCSCC2)n1C ZINC001331350957 974691397 /nfs/dbraw/zinc/69/13/97/974691397.db2.gz VFVAIHIJBULDFI-UHFFFAOYSA-N 1 2 238.360 1.548 20 30 BDEDLO Cc1ccc(N2CCn3c[nH+]cc3C2)c(C#N)n1 ZINC001331910999 974860826 /nfs/dbraw/zinc/86/08/26/974860826.db2.gz KHJPBTNPGLDHSV-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cn(CC)nn2)C1 ZINC001332800824 975288833 /nfs/dbraw/zinc/28/88/33/975288833.db2.gz SIHGRKWGUCTGGT-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2cn(CC)nn2)C1 ZINC001332800824 975288841 /nfs/dbraw/zinc/28/88/41/975288841.db2.gz SIHGRKWGUCTGGT-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO COC(=O)CCCC[C@@H](C)[N@H+](C)[C@H](C)C#N ZINC001173460390 975394449 /nfs/dbraw/zinc/39/44/49/975394449.db2.gz XCSAVHMOPFFJOQ-GHMZBOCLSA-N 1 2 226.320 1.952 20 30 BDEDLO COC(=O)CCCC[C@@H](C)[N@@H+](C)[C@H](C)C#N ZINC001173460390 975394461 /nfs/dbraw/zinc/39/44/61/975394461.db2.gz XCSAVHMOPFFJOQ-GHMZBOCLSA-N 1 2 226.320 1.952 20 30 BDEDLO CC[C@H](C#N)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173749207 975542476 /nfs/dbraw/zinc/54/24/76/975542476.db2.gz GJNPFEMTIRKQIR-VWYCJHECSA-N 1 2 234.307 1.049 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001334060330 976264477 /nfs/dbraw/zinc/26/44/77/976264477.db2.gz PEUOIWGLVIMJSB-JTQLQIEISA-N 1 2 233.315 1.864 20 30 BDEDLO CC[N@H+](CCC#N)CCc1nnc(C)o1 ZINC001334605713 976562912 /nfs/dbraw/zinc/56/29/12/976562912.db2.gz YMYWTGGGHWLZLC-UHFFFAOYSA-N 1 2 208.265 1.156 20 30 BDEDLO CC[N@@H+](CCC#N)CCc1nnc(C)o1 ZINC001334605713 976562923 /nfs/dbraw/zinc/56/29/23/976562923.db2.gz YMYWTGGGHWLZLC-UHFFFAOYSA-N 1 2 208.265 1.156 20 30 BDEDLO COc1ncnc([NH+]=c2cc[nH]cc2C)c1C#N ZINC001174537362 976819280 /nfs/dbraw/zinc/81/92/80/976819280.db2.gz HPCNCUJCUZCJIN-UHFFFAOYSA-N 1 2 241.254 1.226 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC000260221809 977341533 /nfs/dbraw/zinc/34/15/33/977341533.db2.gz WALTYIYVGRKCSW-JTQLQIEISA-N 1 2 204.277 1.372 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C#N)C1 ZINC000260221809 977341538 /nfs/dbraw/zinc/34/15/38/977341538.db2.gz WALTYIYVGRKCSW-JTQLQIEISA-N 1 2 204.277 1.372 20 30 BDEDLO O=C1C=C[C@@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230921625 977383203 /nfs/dbraw/zinc/38/32/03/977383203.db2.gz PTLJCTNUQOUYGK-GFCCVEGCSA-N 1 2 243.262 1.644 20 30 BDEDLO Cc1nocc1C[NH2+]C[C@@H](C#N)CCC#N ZINC001335970611 977396914 /nfs/dbraw/zinc/39/69/14/977396914.db2.gz QQBYBSFSPBZXRO-SNVBAGLBSA-N 1 2 218.260 1.516 20 30 BDEDLO COc1cc(C[N@@H+]2CC[C@@H](C#N)C2)c(O)cc1O ZINC001231638395 977654660 /nfs/dbraw/zinc/65/46/60/977654660.db2.gz ZDCBCFMYPPKFDA-VIFPVBQESA-N 1 2 248.282 1.452 20 30 BDEDLO COc1cc(C[N@H+]2CC[C@@H](C#N)C2)c(O)cc1O ZINC001231638395 977654668 /nfs/dbraw/zinc/65/46/68/977654668.db2.gz ZDCBCFMYPPKFDA-VIFPVBQESA-N 1 2 248.282 1.452 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCOCC)C1 ZINC001277571103 977756401 /nfs/dbraw/zinc/75/64/01/977756401.db2.gz RFQOYJQUQOEZPH-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO COc1cc[nH+]c(CN2CC(C#N)C2)c1 ZINC001231966748 977814273 /nfs/dbraw/zinc/81/42/73/977814273.db2.gz JKMFXHCLIHNIBR-UHFFFAOYSA-N 1 2 203.245 1.046 20 30 BDEDLO COc1cc[nH+]cc1Nc1c(C#N)cnn1C ZINC001176116813 977943893 /nfs/dbraw/zinc/94/38/93/977943893.db2.gz LEPSHLMHIMMMCH-UHFFFAOYSA-N 1 2 229.243 1.439 20 30 BDEDLO COc1cc[nH+]cc1-n1c(C)c(C)c(C#N)c1N ZINC001176116461 977945202 /nfs/dbraw/zinc/94/52/02/977945202.db2.gz FLIDCXNDRAJNPL-UHFFFAOYSA-N 1 2 242.282 1.952 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1cccnc1 ZINC001336778784 977953128 /nfs/dbraw/zinc/95/31/28/977953128.db2.gz CLVDQSYTADKMSV-WCQYABFASA-N 1 2 244.298 1.148 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CCn2cccc2)C1 ZINC001277676493 978163668 /nfs/dbraw/zinc/16/36/68/978163668.db2.gz ZCPHSMVJGQSGDP-UHFFFAOYSA-N 1 2 247.342 1.207 20 30 BDEDLO CCCCN(CC#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001176830688 978195744 /nfs/dbraw/zinc/19/57/44/978195744.db2.gz ATBKMLJZFKJSBS-UHFFFAOYSA-N 1 2 220.276 1.104 20 30 BDEDLO C#CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001176836193 978202887 /nfs/dbraw/zinc/20/28/87/978202887.db2.gz LDPWCRDXUGQYFP-UHFFFAOYSA-N 1 2 231.299 1.405 20 30 BDEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673435 978235099 /nfs/dbraw/zinc/23/50/99/978235099.db2.gz GHXQIYUWGINVPV-SKDRFNHKSA-N 1 2 232.283 1.219 20 30 BDEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673435 978235109 /nfs/dbraw/zinc/23/51/09/978235109.db2.gz GHXQIYUWGINVPV-SKDRFNHKSA-N 1 2 232.283 1.219 20 30 BDEDLO COc1cc(O)cc(C[NH+]2CC(CC#N)C2)c1 ZINC001232802026 978291975 /nfs/dbraw/zinc/29/19/75/978291975.db2.gz QZBWNJUVQMZPAG-UHFFFAOYSA-N 1 2 232.283 1.746 20 30 BDEDLO C=CCC[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001337551243 978399333 /nfs/dbraw/zinc/39/93/33/978399333.db2.gz PBGFLJJOGHWXJJ-GFCCVEGCSA-N 1 2 233.315 1.909 20 30 BDEDLO CCOC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233044277 978424214 /nfs/dbraw/zinc/42/42/14/978424214.db2.gz LZZIEGWRGJZYIV-UHFFFAOYSA-N 1 2 233.315 1.887 20 30 BDEDLO CO[C@H](C)C1C[NH+](Cc2[nH]ccc2C#N)C1 ZINC001233048794 978441595 /nfs/dbraw/zinc/44/15/95/978441595.db2.gz MLSPENRRMHHHIP-SECBINFHSA-N 1 2 219.288 1.353 20 30 BDEDLO C[C@H](C(=O)Nc1cc(C#N)ccn1)n1cc[nH+]c1 ZINC001177917855 978472341 /nfs/dbraw/zinc/47/23/41/978472341.db2.gz MPCVNJDCGGLEEI-SECBINFHSA-N 1 2 241.254 1.349 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cccc3c2CCO3)C1 ZINC001233277308 978528482 /nfs/dbraw/zinc/52/84/82/978528482.db2.gz WTMXPZFSOXDHSR-NSHDSACASA-N 1 2 228.295 1.967 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc3c2CCO3)C1 ZINC001233277308 978528485 /nfs/dbraw/zinc/52/84/85/978528485.db2.gz WTMXPZFSOXDHSR-NSHDSACASA-N 1 2 228.295 1.967 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001337944920 978573101 /nfs/dbraw/zinc/57/31/01/978573101.db2.gz ZHTHCSYIUXZVEE-UWVGGRQHSA-N 1 2 220.276 1.253 20 30 BDEDLO N#C[C@H]1CCCCN1Cc1cccc(N)[nH+]1 ZINC001233371751 978584062 /nfs/dbraw/zinc/58/40/62/978584062.db2.gz HIGWBHSRMVTDDR-LLVKDONJSA-N 1 2 216.288 1.542 20 30 BDEDLO C#CC[C@@H](CO)[NH2+]Cc1c(F)ccc(O)c1F ZINC001338291033 978651865 /nfs/dbraw/zinc/65/18/65/978651865.db2.gz XHFDCEKMVXFXPB-QMMMGPOBSA-N 1 2 241.237 1.144 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001339171679 978810413 /nfs/dbraw/zinc/81/04/13/978810413.db2.gz CJQDXSFZZKYFSP-VHSXEESVSA-N 1 2 207.277 1.525 20 30 BDEDLO C#Cc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001180210643 978840082 /nfs/dbraw/zinc/84/00/82/978840082.db2.gz KLNSZTHCPCFHDN-UHFFFAOYSA-N 1 2 239.278 1.881 20 30 BDEDLO Cc1noc(NC(=O)[C@H](C)[NH+]2CCCC2)c1C#N ZINC001180576422 978897662 /nfs/dbraw/zinc/89/76/62/978897662.db2.gz NVPSJZYDPPUOHZ-VIFPVBQESA-N 1 2 248.286 1.278 20 30 BDEDLO O=C1C=C2C[N@H+](CCCCO)CCC2S1 ZINC001235466563 979049265 /nfs/dbraw/zinc/04/92/65/979049265.db2.gz OMKQPGHTSWTHKS-JTQLQIEISA-N 1 2 227.329 1.033 20 30 BDEDLO O=C1C=C2C[N@@H+](CCCCO)CCC2S1 ZINC001235466563 979049271 /nfs/dbraw/zinc/04/92/71/979049271.db2.gz OMKQPGHTSWTHKS-JTQLQIEISA-N 1 2 227.329 1.033 20 30 BDEDLO O=C1C=C2C[N@H+](CCCCO)CC[C@@H]2S1 ZINC001235466563 979049274 /nfs/dbraw/zinc/04/92/74/979049274.db2.gz OMKQPGHTSWTHKS-JTQLQIEISA-N 1 2 227.329 1.033 20 30 BDEDLO O=C1C=C2C[N@@H+](CCCCO)CC[C@@H]2S1 ZINC001235466563 979049281 /nfs/dbraw/zinc/04/92/81/979049281.db2.gz OMKQPGHTSWTHKS-JTQLQIEISA-N 1 2 227.329 1.033 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccccc2CC#N)CC(=O)N1 ZINC001235511041 979060678 /nfs/dbraw/zinc/06/06/78/979060678.db2.gz FQQDWLXJQKRMJS-LLVKDONJSA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2CC#N)CC(=O)N1 ZINC001235511041 979060689 /nfs/dbraw/zinc/06/06/89/979060689.db2.gz FQQDWLXJQKRMJS-LLVKDONJSA-N 1 2 243.310 1.073 20 30 BDEDLO C#CC[N@@H+](Cc1cnc(CC)o1)C1CC1 ZINC001341095084 979232381 /nfs/dbraw/zinc/23/23/81/979232381.db2.gz UHKUCYCTJDJWMU-UHFFFAOYSA-N 1 2 204.273 1.835 20 30 BDEDLO C#CC[N@H+](Cc1cnc(CC)o1)C1CC1 ZINC001341095084 979232413 /nfs/dbraw/zinc/23/24/13/979232413.db2.gz UHKUCYCTJDJWMU-UHFFFAOYSA-N 1 2 204.273 1.835 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC001602835343 979285826 /nfs/dbraw/zinc/28/58/26/979285826.db2.gz OHUUXIWPUPUFKR-RYUDHWBXSA-N 1 2 249.314 1.549 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC001602835343 979285832 /nfs/dbraw/zinc/28/58/32/979285832.db2.gz OHUUXIWPUPUFKR-RYUDHWBXSA-N 1 2 249.314 1.549 20 30 BDEDLO N#CCCc1cc[nH+]c(N2CCOCC2)c1 ZINC001250057514 979537678 /nfs/dbraw/zinc/53/76/78/979537678.db2.gz STQFTWUFJJVGER-UHFFFAOYSA-N 1 2 217.272 1.374 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCn3nccc3C2)ccn1 ZINC001237461978 979904252 /nfs/dbraw/zinc/90/42/52/979904252.db2.gz GCSQPVCZEKBRAT-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCn3nccc3C2)ccn1 ZINC001237461978 979904257 /nfs/dbraw/zinc/90/42/57/979904257.db2.gz GCSQPVCZEKBRAT-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO CCc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)ccc1C#N ZINC001238767307 980322964 /nfs/dbraw/zinc/32/29/64/980322964.db2.gz SYGHJTPDCRLUQT-UONOGXRCSA-N 1 2 248.301 1.635 20 30 BDEDLO CCc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)ccc1C#N ZINC001238767307 980322967 /nfs/dbraw/zinc/32/29/67/980322967.db2.gz SYGHJTPDCRLUQT-UONOGXRCSA-N 1 2 248.301 1.635 20 30 BDEDLO CCn1c[nH+]cc1COC(=O)[C@H](C)CC#N ZINC001344970658 980509672 /nfs/dbraw/zinc/50/96/72/980509672.db2.gz CVURMIUZOZNEGJ-SECBINFHSA-N 1 2 221.260 1.496 20 30 BDEDLO N#Cc1cc(F)ccc1CC[NH+]1CCOCC1 ZINC001250277341 980650299 /nfs/dbraw/zinc/65/02/99/980650299.db2.gz FEZOEMQLFRQDKM-UHFFFAOYSA-N 1 2 234.274 1.572 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cc(C(=O)OCC)n[nH]1 ZINC001346043790 980737193 /nfs/dbraw/zinc/73/71/93/980737193.db2.gz IYTLHQXXJKFILM-UHFFFAOYSA-N 1 2 243.694 1.429 20 30 BDEDLO N#Cc1cnc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240213433 981162489 /nfs/dbraw/zinc/16/24/89/981162489.db2.gz AIXZJFQJCJKBBH-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO Cc1ncc(C#N)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240495939 981415699 /nfs/dbraw/zinc/41/56/99/981415699.db2.gz AUQBQESWLQZXPS-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C=CCOC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001194310098 981648582 /nfs/dbraw/zinc/64/85/82/981648582.db2.gz JITNJESBXWLQIA-LBPRGKRZSA-N 1 2 248.282 1.857 20 30 BDEDLO C=CCOC(=O)NCCOc1cc[nH+]cc1 ZINC001194349685 981711961 /nfs/dbraw/zinc/71/19/61/981711961.db2.gz YHUUXIRYKUHNGZ-UHFFFAOYSA-N 1 2 222.244 1.373 20 30 BDEDLO C#CCC(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001583333792 981810983 /nfs/dbraw/zinc/81/09/83/981810983.db2.gz QIJFVQZGERKEHU-UHFFFAOYSA-N 1 2 233.315 1.128 20 30 BDEDLO N#CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001584461311 981872074 /nfs/dbraw/zinc/87/20/74/981872074.db2.gz UKLCAFYONGHUTN-UHFFFAOYSA-N 1 2 240.266 1.055 20 30 BDEDLO CC(C)([NH2+]Cc1nnc[nH]1)c1cccc(C#N)c1 ZINC001350381884 981951726 /nfs/dbraw/zinc/95/17/26/981951726.db2.gz QJALWTKKATYIOS-UHFFFAOYSA-N 1 2 241.298 1.701 20 30 BDEDLO C=CCCCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001586737109 982013141 /nfs/dbraw/zinc/01/31/41/982013141.db2.gz DIVOAXCXOSPMCR-UHFFFAOYSA-N 1 2 245.326 1.905 20 30 BDEDLO N#Cc1cnc2ccc(-c3cc[nH+]c(N)c3)cn12 ZINC001241169737 982313109 /nfs/dbraw/zinc/31/31/09/982313109.db2.gz NLYGOLZBXMWYPO-UHFFFAOYSA-N 1 2 235.250 1.850 20 30 BDEDLO Cc1ncc(C#N)cc1Nc1ccc(N)[nH+]c1 ZINC001201278882 983179089 /nfs/dbraw/zinc/17/90/89/983179089.db2.gz OZSMINSWHZAERW-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1nccnc1CC#N ZINC001242071144 983304564 /nfs/dbraw/zinc/30/45/64/983304564.db2.gz VNNZBPKWFBXSTF-UHFFFAOYSA-N 1 2 225.255 1.495 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC001137080553 983919080 /nfs/dbraw/zinc/91/90/80/983919080.db2.gz LSFMRKCIVXNUQN-UHFFFAOYSA-N 1 2 246.358 1.215 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001253567290 984238316 /nfs/dbraw/zinc/23/83/16/984238316.db2.gz MLZYFHAQYQHJSU-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001253567290 984238329 /nfs/dbraw/zinc/23/83/29/984238329.db2.gz MLZYFHAQYQHJSU-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO CCc1ccc(CCN2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001578257712 984900474 /nfs/dbraw/zinc/90/04/74/984900474.db2.gz LQKWOEYWCJKKKO-HNNXBMFYSA-N 1 2 243.354 1.589 20 30 BDEDLO C#CCCCCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456144502 985116089 /nfs/dbraw/zinc/11/60/89/985116089.db2.gz ONRJDKNZZZTSRM-UHFFFAOYSA-N 1 2 233.315 1.782 20 30 BDEDLO C#CCCCCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456144502 985116098 /nfs/dbraw/zinc/11/60/98/985116098.db2.gz ONRJDKNZZZTSRM-UHFFFAOYSA-N 1 2 233.315 1.782 20 30 BDEDLO C=CCCOCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456141269 985116429 /nfs/dbraw/zinc/11/64/29/985116429.db2.gz HCDOMOAKLYNWHY-UHFFFAOYSA-N 1 2 237.303 1.181 20 30 BDEDLO C=CCCOCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456141269 985116434 /nfs/dbraw/zinc/11/64/34/985116434.db2.gz HCDOMOAKLYNWHY-UHFFFAOYSA-N 1 2 237.303 1.181 20 30 BDEDLO N#Cc1cccc(NCc2ccc[nH+]c2N)n1 ZINC001458383957 985302913 /nfs/dbraw/zinc/30/29/13/985302913.db2.gz OEFPTDPVNAIULH-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO CCc1nc(C#N)c(C#N)nc1C1=C[NH2+]CCC1 ZINC001243950013 985644851 /nfs/dbraw/zinc/64/48/51/985644851.db2.gz STIRFXJGBQNNEC-UHFFFAOYSA-N 1 2 239.282 1.507 20 30 BDEDLO COc1cccc(CN2CC[NH2+]C[C@H]2C#N)c1C ZINC001579277628 985827323 /nfs/dbraw/zinc/82/73/23/985827323.db2.gz IEVIMUUCLDPJCK-CYBMUJFWSA-N 1 2 245.326 1.301 20 30 BDEDLO C#CCOc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC001461518837 986074021 /nfs/dbraw/zinc/07/40/21/986074021.db2.gz HLKPEUYNTVWLLA-UHFFFAOYSA-N 1 2 241.294 1.712 20 30 BDEDLO C=C[C@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001253590281 986196667 /nfs/dbraw/zinc/19/66/67/986196667.db2.gz UFGYVZAFRVTMPQ-ZDUSSCGKSA-N 1 2 229.283 1.831 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H](CC)COC)C(=O)OCC ZINC001462250141 986321660 /nfs/dbraw/zinc/32/16/60/986321660.db2.gz QZVUVBWFIWKSKZ-RYUDHWBXSA-N 1 2 243.347 1.899 20 30 BDEDLO Cc1c(CN2CC[C@H](C#N)C2)[nH+]c2ccccn12 ZINC001137273751 986711776 /nfs/dbraw/zinc/71/17/76/986711776.db2.gz RAZLDXSZIFLTEF-GFCCVEGCSA-N 1 2 240.310 1.988 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)C#Cc1cccs1 ZINC001465604290 986726375 /nfs/dbraw/zinc/72/63/75/986726375.db2.gz JTHSLWMHJSEQKA-UHFFFAOYSA-N 1 2 245.307 1.448 20 30 BDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001466646998 986819553 /nfs/dbraw/zinc/81/95/53/986819553.db2.gz KGBXJCAPTUJWRX-LBPRGKRZSA-N 1 2 243.310 1.149 20 30 BDEDLO COc1cc(-c2c[nH+]c(N)c(C)c2)ncc1C#N ZINC001245536308 986913913 /nfs/dbraw/zinc/91/39/13/986913913.db2.gz OUEFDHGLWOJIBZ-UHFFFAOYSA-N 1 2 240.266 1.915 20 30 BDEDLO CCc1nc(C#N)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245537707 986919212 /nfs/dbraw/zinc/91/92/12/986919212.db2.gz UTZOXGWLYSIDQF-UHFFFAOYSA-N 1 2 239.282 1.863 20 30 BDEDLO C[C@@H](CC(F)(F)F)N1CC[NH2+]C[C@@H]1C#N ZINC001255647109 987044320 /nfs/dbraw/zinc/04/43/20/987044320.db2.gz SGNHHUHFBAESCD-YUMQZZPRSA-N 1 2 221.226 1.125 20 30 BDEDLO C=CCN1N=C(C2CC[NH2+]CC2)CC1=O ZINC001245916868 987151428 /nfs/dbraw/zinc/15/14/28/987151428.db2.gz AXPJAQFAUYGHCJ-UHFFFAOYSA-N 1 2 207.277 1.242 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1ccoc1C(=O)OC ZINC001116621905 987649490 /nfs/dbraw/zinc/64/94/90/987649490.db2.gz HNQMXVFHDVUWDJ-JTQLQIEISA-N 1 2 239.271 1.357 20 30 BDEDLO CCCn1cc(C[NH2+]C[C@@H](C)C#N)c(C)n1 ZINC001474294214 987678739 /nfs/dbraw/zinc/67/87/39/987678739.db2.gz KVKOEOYGXKBXHH-JTQLQIEISA-N 1 2 220.320 1.851 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C(C)(C)C)nn1)CC1CC1 ZINC001116765043 987699957 /nfs/dbraw/zinc/69/99/57/987699957.db2.gz HCINLVAZZRIIAS-UHFFFAOYSA-N 1 2 246.358 1.878 20 30 BDEDLO C#CC[N@H+](Cc1cn(C(C)(C)C)nn1)CC1CC1 ZINC001116765043 987699960 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N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000602166827 349467330 /nfs/dbraw/zinc/46/73/30/349467330.db2.gz KNUNUFFKIDPIOP-LNFKQOIKSA-N 1 2 244.298 1.322 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161727098 349490553 /nfs/dbraw/zinc/49/05/53/349490553.db2.gz ZUZIWVFKYFQAJM-GHMZBOCLSA-N 1 2 233.315 1.526 20 30 BDEDLO CN(C(=O)C[NH+]1CC(C)(C)C1)C1(C#N)CCC1 ZINC000576357958 365576891 /nfs/dbraw/zinc/57/68/91/365576891.db2.gz VXTHZFYBAMFULE-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO CC#CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000127645198 398222662 /nfs/dbraw/zinc/22/26/62/398222662.db2.gz GPDHSQUTODBCDX-CQSZACIVSA-N 1 2 242.322 1.491 20 30 BDEDLO CC#CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000127645198 398222665 /nfs/dbraw/zinc/22/26/65/398222665.db2.gz GPDHSQUTODBCDX-CQSZACIVSA-N 1 2 242.322 1.491 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602437078 349523068 /nfs/dbraw/zinc/52/30/68/349523068.db2.gz DVEDLNDYILVAAF-UHFFFAOYSA-N 1 2 249.314 1.845 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602437078 349523071 /nfs/dbraw/zinc/52/30/71/349523071.db2.gz DVEDLNDYILVAAF-UHFFFAOYSA-N 1 2 249.314 1.845 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602428675 349533124 /nfs/dbraw/zinc/53/31/24/349533124.db2.gz IXBPWSYRVRAZSF-UHFFFAOYSA-N 1 2 236.275 1.502 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ncnn1CCC ZINC000286148754 398248913 /nfs/dbraw/zinc/24/89/13/398248913.db2.gz NMASETBOCDYSIA-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1ncnn1CCC ZINC000286148754 398248918 /nfs/dbraw/zinc/24/89/18/398248918.db2.gz NMASETBOCDYSIA-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO CC[N@@H+](Cc1cnc(C)o1)C[C@@H](C)C#N ZINC000600112973 342671260 /nfs/dbraw/zinc/67/12/60/342671260.db2.gz PFXBLGCZMVDFBX-VIFPVBQESA-N 1 2 207.277 1.965 20 30 BDEDLO CC[N@H+](Cc1cnc(C)o1)C[C@@H](C)C#N ZINC000600112973 342671262 /nfs/dbraw/zinc/67/12/62/342671262.db2.gz PFXBLGCZMVDFBX-VIFPVBQESA-N 1 2 207.277 1.965 20 30 BDEDLO Cc1[nH]c(CNCC(C)(C)C#N)[nH+]c1C ZINC000600144572 342689879 /nfs/dbraw/zinc/68/98/79/342689879.db2.gz LZWVSRLKUBDLLV-UHFFFAOYSA-N 1 2 206.293 1.666 20 30 BDEDLO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000042488915 342776911 /nfs/dbraw/zinc/77/69/11/342776911.db2.gz OKILQBLNJCJAHZ-NEPJUHHUSA-N 1 2 235.331 1.233 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000042488915 342776912 /nfs/dbraw/zinc/77/69/12/342776912.db2.gz OKILQBLNJCJAHZ-NEPJUHHUSA-N 1 2 235.331 1.233 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)C(=O)OC ZINC000309663640 342779408 /nfs/dbraw/zinc/77/94/08/342779408.db2.gz SJCGKIHBWIRMIV-MXWKQRLJSA-N 1 2 227.304 1.119 20 30 BDEDLO CC#CC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000607725205 342781872 /nfs/dbraw/zinc/78/18/72/342781872.db2.gz ZFIXHTFVMHSMKU-UHFFFAOYSA-N 1 2 241.294 1.791 20 30 BDEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000607725205 342781873 /nfs/dbraw/zinc/78/18/73/342781873.db2.gz ZFIXHTFVMHSMKU-UHFFFAOYSA-N 1 2 241.294 1.791 20 30 BDEDLO N#CCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281603512 342796210 /nfs/dbraw/zinc/79/62/10/342796210.db2.gz GLFQWUGGPRBNLY-OLZOCXBDSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281603512 342796212 /nfs/dbraw/zinc/79/62/12/342796212.db2.gz GLFQWUGGPRBNLY-OLZOCXBDSA-N 1 2 234.274 1.847 20 30 BDEDLO C=CC[C@@H]1CC[C@@]2(C1)NC(=O)C[N@H+]2CCC ZINC000649490872 398287949 /nfs/dbraw/zinc/28/79/49/398287949.db2.gz TZSNIINQRKHQHS-DGCLKSJQSA-N 1 2 222.332 1.901 20 30 BDEDLO C=CC[C@@H]1CC[C@@]2(C1)NC(=O)C[N@@H+]2CCC ZINC000649490872 398287952 /nfs/dbraw/zinc/28/79/52/398287952.db2.gz TZSNIINQRKHQHS-DGCLKSJQSA-N 1 2 222.332 1.901 20 30 BDEDLO CC(C)(C#N)CNc1[nH+]cnc2[nH]ccc21 ZINC000336699627 342816551 /nfs/dbraw/zinc/81/65/51/342816551.db2.gz ZVDYEBWHROLPNY-UHFFFAOYSA-N 1 2 215.260 1.341 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2nc(C#N)cs2)C[C@H]1O ZINC000356123890 398289332 /nfs/dbraw/zinc/28/93/32/398289332.db2.gz JBYLOGNIYIOXNV-WCBMZHEXSA-N 1 2 237.328 1.217 20 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C=CC[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000626016661 398333006 /nfs/dbraw/zinc/33/30/06/398333006.db2.gz GSXPJSHEXCKXEW-HTQZYQBOSA-N 1 2 209.211 1.824 20 30 BDEDLO C=CC[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000626016661 398333007 /nfs/dbraw/zinc/33/30/07/398333007.db2.gz GSXPJSHEXCKXEW-HTQZYQBOSA-N 1 2 209.211 1.824 20 30 BDEDLO Cc1ccc(NCc2[nH+]ccn2C)nc1C#N ZINC000344934626 398343793 /nfs/dbraw/zinc/34/37/93/398343793.db2.gz AWXBJYIRFOIOJI-UHFFFAOYSA-N 1 2 227.271 1.029 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2ccc(F)cn2)n1 ZINC000352844879 187205618 /nfs/dbraw/zinc/20/56/18/187205618.db2.gz RGWPIBHGHFDVIB-UHFFFAOYSA-N 1 2 248.286 1.839 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000019834127 342959177 /nfs/dbraw/zinc/95/91/77/342959177.db2.gz UYSHPCAAVAGSJX-UHFFFAOYSA-N 1 2 219.244 1.940 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000019834127 342959178 /nfs/dbraw/zinc/95/91/78/342959178.db2.gz UYSHPCAAVAGSJX-UHFFFAOYSA-N 1 2 219.244 1.940 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H](C)COCC)C(=O)OC ZINC000602733428 349718921 /nfs/dbraw/zinc/71/89/21/349718921.db2.gz IEGPWLJMMHNMQL-GHMZBOCLSA-N 1 2 229.320 1.509 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CC[S@](=O)C1 ZINC000602819349 349759857 /nfs/dbraw/zinc/75/98/57/349759857.db2.gz HJHKDTAPIAQVBM-BZNIZROVSA-N 1 2 240.372 1.381 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC[S@](=O)C1 ZINC000602819349 349759859 /nfs/dbraw/zinc/75/98/59/349759859.db2.gz HJHKDTAPIAQVBM-BZNIZROVSA-N 1 2 240.372 1.381 20 30 BDEDLO N#CCC1(C[N@@H+]2CCOCC23CC3)CC1 ZINC000602828798 349766154 /nfs/dbraw/zinc/76/61/54/349766154.db2.gz UVSXIYAYMOKBLR-UHFFFAOYSA-N 1 2 206.289 1.545 20 30 BDEDLO N#CCC1(C[N@H+]2CCOCC23CC3)CC1 ZINC000602828798 349766155 /nfs/dbraw/zinc/76/61/55/349766155.db2.gz UVSXIYAYMOKBLR-UHFFFAOYSA-N 1 2 206.289 1.545 20 30 BDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602783382 349747996 /nfs/dbraw/zinc/74/79/96/349747996.db2.gz YZGSNLXTDGCVDC-OHUAYANFSA-N 1 2 240.372 1.522 20 30 BDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CC1(CC#N)CC1 ZINC000602783382 349748000 /nfs/dbraw/zinc/74/80/00/349748000.db2.gz YZGSNLXTDGCVDC-OHUAYANFSA-N 1 2 240.372 1.522 20 30 BDEDLO Cc1noc(C)c1C[NH2+]CC1(C#N)CC1 ZINC000308943050 259340986 /nfs/dbraw/zinc/34/09/86/259340986.db2.gz MUUXVAFDCRLCKC-UHFFFAOYSA-N 1 2 205.261 1.685 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602789402 349752342 /nfs/dbraw/zinc/75/23/42/349752342.db2.gz WTLZZDXSHQQNDM-NSHDSACASA-N 1 2 238.331 1.952 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602789402 349752343 /nfs/dbraw/zinc/75/23/43/349752343.db2.gz WTLZZDXSHQQNDM-NSHDSACASA-N 1 2 238.331 1.952 20 30 BDEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CC1(CC#N)CC1 ZINC000602810446 349755047 /nfs/dbraw/zinc/75/50/47/349755047.db2.gz FUUQHDWRHYZGMI-GFCCVEGCSA-N 1 2 249.358 1.623 20 30 BDEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602810446 349755050 /nfs/dbraw/zinc/75/50/50/349755050.db2.gz FUUQHDWRHYZGMI-GFCCVEGCSA-N 1 2 249.358 1.623 20 30 BDEDLO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602862054 349773445 /nfs/dbraw/zinc/77/34/45/349773445.db2.gz KTMJZANNIDJCGQ-GHMZBOCLSA-N 1 2 225.336 1.429 20 30 BDEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000309169685 259342153 /nfs/dbraw/zinc/34/21/53/259342153.db2.gz KTJXVURYKZNBIR-VHSXEESVSA-N 1 2 202.261 1.889 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000602863140 349774438 /nfs/dbraw/zinc/77/44/38/349774438.db2.gz LSDXHUBLDHTSHA-QWRGUYRKSA-N 1 2 237.347 1.716 20 30 BDEDLO CCCn1nccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602859704 349770539 /nfs/dbraw/zinc/77/05/39/349770539.db2.gz AESVKXTUAYBSDX-SNVBAGLBSA-N 1 2 249.318 1.123 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cc1ncnn1C ZINC000177267296 187228312 /nfs/dbraw/zinc/22/83/12/187228312.db2.gz ZJBSDAZWHHFMRG-UHFFFAOYSA-N 1 2 222.336 1.993 20 30 BDEDLO C=CCCCCC[N@H+](C)Cc1ncnn1C ZINC000177267296 187228313 /nfs/dbraw/zinc/22/83/13/187228313.db2.gz ZJBSDAZWHHFMRG-UHFFFAOYSA-N 1 2 222.336 1.993 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000175599133 343065956 /nfs/dbraw/zinc/06/59/56/343065956.db2.gz YQGVCCXMOZADDQ-UHFFFAOYSA-N 1 2 226.239 1.842 20 30 BDEDLO C[C@H]1C[N@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000373795437 136269557 /nfs/dbraw/zinc/26/95/57/136269557.db2.gz DVVWTHUTDAABMZ-RYUDHWBXSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@H]1C[N@@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000373795437 136269558 /nfs/dbraw/zinc/26/95/58/136269558.db2.gz DVVWTHUTDAABMZ-RYUDHWBXSA-N 1 2 224.304 1.170 20 30 BDEDLO C=CCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640939416 362077267 /nfs/dbraw/zinc/07/72/67/362077267.db2.gz PJHMNPPEALQBPC-UHFFFAOYSA-N 1 2 231.303 1.879 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H](C)CCC)nn1 ZINC000640941778 362083010 /nfs/dbraw/zinc/08/30/10/362083010.db2.gz FDXFZOOXBYPGAO-LLVKDONJSA-N 1 2 220.320 1.752 20 30 BDEDLO CC#CC[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000079497732 187233687 /nfs/dbraw/zinc/23/36/87/187233687.db2.gz HMJDZVJKJIAHKC-LLVKDONJSA-N 1 2 237.372 1.119 20 30 BDEDLO C#CC[N@@H+](CC)Cc1ccoc1C(=O)OC ZINC000267306774 187235875 /nfs/dbraw/zinc/23/58/75/187235875.db2.gz LVFHFRKNMXVXEW-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO C#CC[N@H+](CC)Cc1ccoc1C(=O)OC ZINC000267306774 187235877 /nfs/dbraw/zinc/23/58/77/187235877.db2.gz LVFHFRKNMXVXEW-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO C=C(C)CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275042872 187237857 /nfs/dbraw/zinc/23/78/57/187237857.db2.gz SMYHTKTVUYSDQV-UHFFFAOYSA-N 1 2 248.330 1.875 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000602865693 349797975 /nfs/dbraw/zinc/79/79/75/349797975.db2.gz XNDKJRWKNINTNF-GRYCIOLGSA-N 1 2 237.347 1.383 20 30 BDEDLO C=CCOCC[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000339084395 136271350 /nfs/dbraw/zinc/27/13/50/136271350.db2.gz IAIYRVDGJOZQKG-GHMZBOCLSA-N 1 2 229.320 1.366 20 30 BDEDLO C=C1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000276855911 187239099 /nfs/dbraw/zinc/23/90/99/187239099.db2.gz VROOSNPMAZTQDM-JTQLQIEISA-N 1 2 233.319 1.721 20 30 BDEDLO C#CCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277512085 187239577 /nfs/dbraw/zinc/23/95/77/187239577.db2.gz OBFYIDPGBNQBBH-UHFFFAOYSA-N 1 2 245.326 1.919 20 30 BDEDLO C=C(Cl)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000267024809 187235477 /nfs/dbraw/zinc/23/54/77/187235477.db2.gz LAOOKUKCBPTBOK-UHFFFAOYSA-N 1 2 240.738 1.295 20 30 BDEDLO C#CC[N@@H+](CC)Cc1c(C)nn(C)c1Cl ZINC000267252167 187235544 /nfs/dbraw/zinc/23/55/44/187235544.db2.gz HAHOEGQEDCARLB-UHFFFAOYSA-N 1 2 225.723 1.837 20 30 BDEDLO C#CC[N@H+](CC)Cc1c(C)nn(C)c1Cl ZINC000267252167 187235546 /nfs/dbraw/zinc/23/55/46/187235546.db2.gz HAHOEGQEDCARLB-UHFFFAOYSA-N 1 2 225.723 1.837 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000127895034 343179198 /nfs/dbraw/zinc/17/91/98/343179198.db2.gz FVFRBVGQISFSNM-SNVBAGLBSA-N 1 2 234.347 1.967 20 30 BDEDLO N#CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000308939029 136274427 /nfs/dbraw/zinc/27/44/27/136274427.db2.gz PGGKECVFNDSOPS-GMTAPVOTSA-N 1 2 206.289 1.447 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1sccc1C#N ZINC000602869942 349800647 /nfs/dbraw/zinc/80/06/47/349800647.db2.gz QXQVOTBAGVZELJ-QMMMGPOBSA-N 1 2 248.311 1.450 20 30 BDEDLO NC(COc1ccccc1F)=[NH+]OCC1CC1 ZINC000186866272 136275619 /nfs/dbraw/zinc/27/56/19/136275619.db2.gz ZDZUVJPQULHXEF-UHFFFAOYSA-N 1 2 238.262 1.903 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1sccc1C#N ZINC000602869941 349800793 /nfs/dbraw/zinc/80/07/93/349800793.db2.gz QXQVOTBAGVZELJ-MRVPVSSYSA-N 1 2 248.311 1.450 20 30 BDEDLO COc1cc(C[NH2+][C@@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000602871160 349802618 /nfs/dbraw/zinc/80/26/18/349802618.db2.gz YNQRPSSOHAGGGG-VIFPVBQESA-N 1 2 249.270 1.995 20 30 BDEDLO CC#CC[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000293098708 136289287 /nfs/dbraw/zinc/28/92/87/136289287.db2.gz KYHMEVWYFZERAC-UHFFFAOYSA-N 1 2 219.288 1.200 20 30 BDEDLO COC[C@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000299240209 136291474 /nfs/dbraw/zinc/29/14/74/136291474.db2.gz JTARTEGWWLZUTG-MRACZJACSA-N 1 2 223.272 1.799 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000034674315 343277057 /nfs/dbraw/zinc/27/70/57/343277057.db2.gz QKOVIQMQXJMGPU-UHFFFAOYSA-N 1 2 229.283 1.783 20 30 BDEDLO C[N@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000034674315 343277058 /nfs/dbraw/zinc/27/70/58/343277058.db2.gz QKOVIQMQXJMGPU-UHFFFAOYSA-N 1 2 229.283 1.783 20 30 BDEDLO C=CCCOCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000148235459 343390583 /nfs/dbraw/zinc/39/05/83/343390583.db2.gz AGBXZDXEDGTGOF-UHFFFAOYSA-N 1 2 249.314 1.679 20 30 BDEDLO C=CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335708719 136336933 /nfs/dbraw/zinc/33/69/33/136336933.db2.gz WEVAUNMQKYCQAA-UHFFFAOYSA-N 1 2 216.244 1.642 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000165481032 343437243 /nfs/dbraw/zinc/43/72/43/343437243.db2.gz UVQYEGDQKVCFQI-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000165481032 343437246 /nfs/dbraw/zinc/43/72/46/343437246.db2.gz UVQYEGDQKVCFQI-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO O=C(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000329326393 136365230 /nfs/dbraw/zinc/36/52/30/136365230.db2.gz JGUYOKKRYSOZTP-SNVBAGLBSA-N 1 2 247.298 1.381 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC1CCC1 ZINC000580557717 365763137 /nfs/dbraw/zinc/76/31/37/365763137.db2.gz VSNVETPUTLRBSZ-CYBMUJFWSA-N 1 2 237.347 1.527 20 30 BDEDLO N#CCN(Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000076745661 344034333 /nfs/dbraw/zinc/03/43/33/344034333.db2.gz QAYGVJIUJAPNLC-UHFFFAOYSA-N 1 2 226.283 1.822 20 30 BDEDLO N#Cc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990175 343582111 /nfs/dbraw/zinc/58/21/11/343582111.db2.gz OPIUZLDZDOYCCI-UHFFFAOYSA-N 1 2 226.239 1.211 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1=CCCCC1 ZINC000577038789 365782760 /nfs/dbraw/zinc/78/27/60/365782760.db2.gz CVHVDRHFIMDYKO-CQSZACIVSA-N 1 2 249.358 1.837 20 30 BDEDLO Cn1ccnc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000071273663 343647423 /nfs/dbraw/zinc/64/74/23/343647423.db2.gz HVCMZMQLQDGQOO-UHFFFAOYSA-N 1 2 244.273 1.721 20 30 BDEDLO C[N@H+](CCCS(C)(=O)=O)[C@H]1CCC[C@H]1C#N ZINC000602975670 349840421 /nfs/dbraw/zinc/84/04/21/349840421.db2.gz FOFNXVHQPKZBTG-QWRGUYRKSA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CCCS(C)(=O)=O)[C@H]1CCC[C@H]1C#N ZINC000602975670 349840424 /nfs/dbraw/zinc/84/04/24/349840424.db2.gz FOFNXVHQPKZBTG-QWRGUYRKSA-N 1 2 244.360 1.045 20 30 BDEDLO COc1cccc(C[NH2+][C@H](C)CC#N)n1 ZINC000380250489 343711693 /nfs/dbraw/zinc/71/16/93/343711693.db2.gz PCROWQZOABKJQG-SECBINFHSA-N 1 2 205.261 1.482 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603094743 349868360 /nfs/dbraw/zinc/86/83/60/349868360.db2.gz WRQAITCENIGVMX-DGCLKSJQSA-N 1 2 232.258 1.264 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603094743 349868362 /nfs/dbraw/zinc/86/83/62/349868362.db2.gz WRQAITCENIGVMX-DGCLKSJQSA-N 1 2 232.258 1.264 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCOCC23CC3)c1 ZINC000334193655 343833794 /nfs/dbraw/zinc/83/37/94/343833794.db2.gz JDUMOEAWMJQOML-UHFFFAOYSA-N 1 2 234.324 1.985 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCOCC23CC3)c1 ZINC000334193655 343833796 /nfs/dbraw/zinc/83/37/96/343833796.db2.gz JDUMOEAWMJQOML-UHFFFAOYSA-N 1 2 234.324 1.985 20 30 BDEDLO CCC#C[C@H](C)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625474295 343873828 /nfs/dbraw/zinc/87/38/28/343873828.db2.gz KZLQUJNTNJIAGA-ZDUSSCGKSA-N 1 2 246.358 1.329 20 30 BDEDLO C=CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCOCC1 ZINC000618248117 344438117 /nfs/dbraw/zinc/43/81/17/344438117.db2.gz VNXBDCOSBATUTP-UHFFFAOYSA-N 1 2 249.314 1.573 20 30 BDEDLO C=C[C@@H]([NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000381451333 344507467 /nfs/dbraw/zinc/50/74/67/344507467.db2.gz HKMIFMKBGDVMRQ-SNVBAGLBSA-N 1 2 224.304 1.634 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)C(=O)OC ZINC000381475078 344510616 /nfs/dbraw/zinc/51/06/16/344510616.db2.gz QFSCLJLUXPZDTL-DCAQKATOSA-N 1 2 227.304 1.119 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(N(C)C)nc1 ZINC000127675206 344596481 /nfs/dbraw/zinc/59/64/81/344596481.db2.gz PWZUZASNBRWKSL-UHFFFAOYSA-N 1 2 232.331 1.883 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(N(C)C)nc1 ZINC000127675206 344596485 /nfs/dbraw/zinc/59/64/85/344596485.db2.gz PWZUZASNBRWKSL-UHFFFAOYSA-N 1 2 232.331 1.883 20 30 BDEDLO C#CC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119271 344797339 /nfs/dbraw/zinc/79/73/39/344797339.db2.gz KCZQQYLEOHOCEZ-CYBMUJFWSA-N 1 2 201.269 1.693 20 30 BDEDLO C#CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119271 344797342 /nfs/dbraw/zinc/79/73/42/344797342.db2.gz KCZQQYLEOHOCEZ-CYBMUJFWSA-N 1 2 201.269 1.693 20 30 BDEDLO C=CCCCN(C)C(=O)NCc1[nH+]ccn1C ZINC000076979955 344811887 /nfs/dbraw/zinc/81/18/87/344811887.db2.gz POGTUBJIGIXSLX-UHFFFAOYSA-N 1 2 236.319 1.528 20 30 BDEDLO Cc1ccc(NCC[NH+]2CCOCC2)nc1C#N ZINC000302724405 178758521 /nfs/dbraw/zinc/75/85/21/178758521.db2.gz RATNZAHPRFQACP-UHFFFAOYSA-N 1 2 246.314 1.006 20 30 BDEDLO N#CCN[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000120156987 344880164 /nfs/dbraw/zinc/88/01/64/344880164.db2.gz WJMZUJLCADHFAH-CQSZACIVSA-N 1 2 245.326 1.173 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC000121569080 344929830 /nfs/dbraw/zinc/92/98/30/344929830.db2.gz AZUAYFDUEUXVKC-UHFFFAOYSA-N 1 2 209.249 1.039 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC000121569080 344929833 /nfs/dbraw/zinc/92/98/33/344929833.db2.gz AZUAYFDUEUXVKC-UHFFFAOYSA-N 1 2 209.249 1.039 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000334469675 187295679 /nfs/dbraw/zinc/29/56/79/187295679.db2.gz ZOXOYYXANGYVBY-NSHDSACASA-N 1 2 240.303 1.526 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000334469675 187295681 /nfs/dbraw/zinc/29/56/81/187295681.db2.gz ZOXOYYXANGYVBY-NSHDSACASA-N 1 2 240.303 1.526 20 30 BDEDLO Cc1cc(N2CC[S@](=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425224976 192084616 /nfs/dbraw/zinc/08/46/16/192084616.db2.gz FGJRXTWDMWJOAN-BTDLBPIBSA-N 1 2 249.339 1.219 20 30 BDEDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC000425223382 192084813 /nfs/dbraw/zinc/08/48/13/192084813.db2.gz ILFPILKVWXDQNY-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO CC[C@H](C)[C@@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000425221685 192084339 /nfs/dbraw/zinc/08/43/39/192084339.db2.gz FNUGRSWHYQTLHH-HZMBPMFUSA-N 1 2 247.342 1.893 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000154949403 345061293 /nfs/dbraw/zinc/06/12/93/345061293.db2.gz GRUJTJWFRRXRIK-SECBINFHSA-N 1 2 216.712 1.339 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000154949403 345061294 /nfs/dbraw/zinc/06/12/94/345061294.db2.gz GRUJTJWFRRXRIK-SECBINFHSA-N 1 2 216.712 1.339 20 30 BDEDLO Cc1cc(NCC[C@@H](C)F)c(C#N)c[nH+]1 ZINC000425274332 192087275 /nfs/dbraw/zinc/08/72/75/192087275.db2.gz ZQHBPJRTEMSNOM-MRVPVSSYSA-N 1 2 207.252 1.844 20 30 BDEDLO C=C1CCN(C(=O)Cc2[nH]cc(CC)[nH+]2)CC1 ZINC000635504049 345403565 /nfs/dbraw/zinc/40/35/65/345403565.db2.gz RGRYWOMIWLICOU-UHFFFAOYSA-N 1 2 233.315 1.693 20 30 BDEDLO Cc1ccc(C)c(CO[NH+]=C(N)CCO)c1 ZINC000136065207 345472289 /nfs/dbraw/zinc/47/22/89/345472289.db2.gz FLJDFGQVQDHDMC-UHFFFAOYSA-N 1 2 222.288 1.475 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335553905 534997868 /nfs/dbraw/zinc/99/78/68/534997868.db2.gz RJKFPRSKYXJBJA-JTQLQIEISA-N 1 2 246.314 1.111 20 30 BDEDLO C=C(C)C[NH2+][C@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000359828053 345602019 /nfs/dbraw/zinc/60/20/19/345602019.db2.gz COPUVQWJRWEDDE-RYUDHWBXSA-N 1 2 241.331 1.510 20 30 BDEDLO C[N@@H+]1CCO[C@@H](CSc2cccc(C#N)n2)C1 ZINC000400771001 345790646 /nfs/dbraw/zinc/79/06/46/345790646.db2.gz LRRORQZNQIPYJZ-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@@H](CSc2cccc(C#N)n2)C1 ZINC000400771001 345790650 /nfs/dbraw/zinc/79/06/50/345790650.db2.gz LRRORQZNQIPYJZ-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO C=CCNc1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000601098974 346025155 /nfs/dbraw/zinc/02/51/55/346025155.db2.gz MOBJWYGFBOZUCE-UHFFFAOYSA-N 1 2 249.314 1.301 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635892229 346103445 /nfs/dbraw/zinc/10/34/45/346103445.db2.gz VHXMIALFFVYGOK-GMTAPVOTSA-N 1 2 233.315 1.984 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635892229 346103447 /nfs/dbraw/zinc/10/34/47/346103447.db2.gz VHXMIALFFVYGOK-GMTAPVOTSA-N 1 2 233.315 1.984 20 30 BDEDLO CC#CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635778081 346062963 /nfs/dbraw/zinc/06/29/63/346062963.db2.gz JDMJRULMDLUUSQ-CYBMUJFWSA-N 1 2 247.342 2.000 20 30 BDEDLO Cn1cc[nH+]c1CNc1cccc(C#N)c1 ZINC000034937804 346108677 /nfs/dbraw/zinc/10/86/77/346108677.db2.gz BQQJFYYFNLDHJD-UHFFFAOYSA-N 1 2 212.256 1.904 20 30 BDEDLO CCCCNc1cc(C)[nH+]c(NC[C@@H](C)C#N)n1 ZINC000601125438 346151475 /nfs/dbraw/zinc/15/14/75/346151475.db2.gz QUUDYLVCXUBTKN-JTQLQIEISA-N 1 2 247.346 1.412 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601126149 346152177 /nfs/dbraw/zinc/15/21/77/346152177.db2.gz MZNBCEOKTIZLIM-UHFFFAOYSA-N 1 2 244.298 1.452 20 30 BDEDLO C=CC[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000051961438 346215612 /nfs/dbraw/zinc/21/56/12/346215612.db2.gz XRDFYBBASWJRDT-UHFFFAOYSA-N 1 2 211.305 1.884 20 30 BDEDLO N#CC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000603406822 349957214 /nfs/dbraw/zinc/95/72/14/349957214.db2.gz WIAASWBDIVHXSV-NSHDSACASA-N 1 2 231.299 1.704 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000380030333 365815058 /nfs/dbraw/zinc/81/50/58/365815058.db2.gz YXCAURXPZOSOOE-UHFFFAOYSA-N 1 2 234.303 1.664 20 30 BDEDLO N#Cc1cncc(NCCCn2cc[nH+]c2)n1 ZINC000401233483 346502521 /nfs/dbraw/zinc/50/25/21/346502521.db2.gz PKEUUDNCUUZVRJ-UHFFFAOYSA-N 1 2 228.259 1.047 20 30 BDEDLO N#Cc1cncc(NCCCCn2cc[nH+]c2)n1 ZINC000401440752 346711688 /nfs/dbraw/zinc/71/16/88/346711688.db2.gz YRLRGNPNEFYAHJ-UHFFFAOYSA-N 1 2 242.286 1.437 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000589278438 346684755 /nfs/dbraw/zinc/68/47/55/346684755.db2.gz FFWJUPWKKYQTDB-RKDXNWHRSA-N 1 2 233.258 1.691 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000589278438 346684758 /nfs/dbraw/zinc/68/47/58/346684758.db2.gz FFWJUPWKKYQTDB-RKDXNWHRSA-N 1 2 233.258 1.691 20 30 BDEDLO Cn1cnc2c1CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000590158179 346782905 /nfs/dbraw/zinc/78/29/05/346782905.db2.gz FMZXSOKHNXAAPD-MNOVXSKESA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1cnc2c1CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000590158179 346782908 /nfs/dbraw/zinc/78/29/08/346782908.db2.gz FMZXSOKHNXAAPD-MNOVXSKESA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1c[nH+]c2c1CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000590158179 346782910 /nfs/dbraw/zinc/78/29/10/346782910.db2.gz FMZXSOKHNXAAPD-MNOVXSKESA-N 1 2 230.315 1.470 20 30 BDEDLO C=C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000577189483 365868780 /nfs/dbraw/zinc/86/87/80/365868780.db2.gz WUJOTZBVEYEVOG-LLVKDONJSA-N 1 2 233.315 1.767 20 30 BDEDLO C=C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000577189483 365868786 /nfs/dbraw/zinc/86/87/86/365868786.db2.gz WUJOTZBVEYEVOG-LLVKDONJSA-N 1 2 233.315 1.767 20 30 BDEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309659565 347131984 /nfs/dbraw/zinc/13/19/84/347131984.db2.gz QWJLTJAKHXLINB-JMJZKYOTSA-N 1 2 222.288 1.220 20 30 BDEDLO CC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC000308321121 347364823 /nfs/dbraw/zinc/36/48/23/347364823.db2.gz YPPPOHJWBDTSIP-UHFFFAOYSA-N 1 2 231.299 1.126 20 30 BDEDLO CC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC000308321121 347364825 /nfs/dbraw/zinc/36/48/25/347364825.db2.gz YPPPOHJWBDTSIP-UHFFFAOYSA-N 1 2 231.299 1.126 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000380829332 347376603 /nfs/dbraw/zinc/37/66/03/347376603.db2.gz OSYDZDFXDXQSKR-MRVPVSSYSA-N 1 2 228.246 1.397 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC)no1 ZINC000590594199 347478910 /nfs/dbraw/zinc/47/89/10/347478910.db2.gz CVOLZYUNRZFOKI-MRVPVSSYSA-N 1 2 237.259 1.243 20 30 BDEDLO Cc1cc(NC(=O)N2CC(C#N)C2)c(C)c[nH+]1 ZINC000590824455 347566981 /nfs/dbraw/zinc/56/69/81/347566981.db2.gz JUORMYCRYQXXEN-UHFFFAOYSA-N 1 2 230.271 1.108 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccncc2F)CC1 ZINC000590954551 347594265 /nfs/dbraw/zinc/59/42/65/347594265.db2.gz KMLHAMPRCQPELC-UHFFFAOYSA-N 1 2 248.305 1.252 20 30 BDEDLO C=C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000590973070 347598960 /nfs/dbraw/zinc/59/89/60/347598960.db2.gz XERGCLJBENRTAM-YTWAJWBKSA-N 1 2 209.289 1.492 20 30 BDEDLO CC(C)(C(=O)N[C@@H]1CC[C@H](C#N)C1)c1c[nH]c[nH+]1 ZINC000591797548 347697188 /nfs/dbraw/zinc/69/71/88/347697188.db2.gz FJBZCUAWKXTRTM-VHSXEESVSA-N 1 2 246.314 1.496 20 30 BDEDLO Cc1cc(N(C)C[C@@H](O)C2CC2)c(C#N)c[nH+]1 ZINC000591821033 347701404 /nfs/dbraw/zinc/70/14/04/347701404.db2.gz GDACVPUWPKIPLP-CYBMUJFWSA-N 1 2 231.299 1.469 20 30 BDEDLO Cc1cc(N2CC(C(C)(C)O)C2)c(C#N)c[nH+]1 ZINC000591823966 347702152 /nfs/dbraw/zinc/70/21/52/347702152.db2.gz WKDFKYPQNUAQKO-UHFFFAOYSA-N 1 2 231.299 1.469 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000592441763 347779200 /nfs/dbraw/zinc/77/92/00/347779200.db2.gz JDELOQPHZPLZGG-NXEZZACHSA-N 1 2 223.320 1.278 20 30 BDEDLO N#CC[N@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000592066731 347726448 /nfs/dbraw/zinc/72/64/48/347726448.db2.gz NCHXGBXAXZDLDR-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO N#CC[N@@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000592066731 347726450 /nfs/dbraw/zinc/72/64/50/347726450.db2.gz NCHXGBXAXZDLDR-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO C[N@H+](CCn1cccn1)Cc1ccncc1C#N ZINC000592070158 347727556 /nfs/dbraw/zinc/72/75/56/347727556.db2.gz GWQICIPNGNPFAO-UHFFFAOYSA-N 1 2 241.298 1.282 20 30 BDEDLO C[N@@H+](CCn1cccn1)Cc1ccncc1C#N ZINC000592070158 347727559 /nfs/dbraw/zinc/72/75/59/347727559.db2.gz GWQICIPNGNPFAO-UHFFFAOYSA-N 1 2 241.298 1.282 20 30 BDEDLO CO[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592071782 347727945 /nfs/dbraw/zinc/72/79/45/347727945.db2.gz PSXHMRNELSJALG-LBPRGKRZSA-N 1 2 217.272 1.174 20 30 BDEDLO CO[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071782 347727948 /nfs/dbraw/zinc/72/79/48/347727948.db2.gz PSXHMRNELSJALG-LBPRGKRZSA-N 1 2 217.272 1.174 20 30 BDEDLO CC[N@H+](Cc1ccncc1C#N)[C@H]1CCOC1 ZINC000592123091 347737602 /nfs/dbraw/zinc/73/76/02/347737602.db2.gz VCNLADPBOMHCIJ-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[N@@H+](Cc1ccncc1C#N)[C@H]1CCOC1 ZINC000592123091 347737605 /nfs/dbraw/zinc/73/76/05/347737605.db2.gz VCNLADPBOMHCIJ-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO CC(C)[C@H]([NH2+]CC#N)C1(CO)CC=CC1 ZINC000592177091 347759163 /nfs/dbraw/zinc/75/91/63/347759163.db2.gz AMXPBTDOGHJPDA-NSHDSACASA-N 1 2 208.305 1.453 20 30 BDEDLO C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000593082514 347851443 /nfs/dbraw/zinc/85/14/43/347851443.db2.gz WNCQFGCYOSYNKT-GHMZBOCLSA-N 1 2 248.330 1.889 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125792 347863694 /nfs/dbraw/zinc/86/36/94/347863694.db2.gz GGSUQYQBQXCDST-AWEZNQCLSA-N 1 2 228.295 1.811 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125792 347863695 /nfs/dbraw/zinc/86/36/95/347863695.db2.gz GGSUQYQBQXCDST-AWEZNQCLSA-N 1 2 228.295 1.811 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000593386288 347885926 /nfs/dbraw/zinc/88/59/26/347885926.db2.gz GAADVUNUJAJVDH-SNVBAGLBSA-N 1 2 242.282 1.500 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000593448306 347892700 /nfs/dbraw/zinc/89/27/00/347892700.db2.gz PQMUTLZCFIIZNN-QWRGUYRKSA-N 1 2 246.314 1.665 20 30 BDEDLO COc1nccc(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000593654364 347922125 /nfs/dbraw/zinc/92/21/25/347922125.db2.gz BFIKZHUNRXMSOF-UHFFFAOYSA-N 1 2 246.314 1.659 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)NCC1(C#N)CCCC1 ZINC000593773196 347945443 /nfs/dbraw/zinc/94/54/43/347945443.db2.gz CNQLAVOOOWSGFR-UHFFFAOYSA-N 1 2 246.314 1.163 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000594010830 347985896 /nfs/dbraw/zinc/98/58/96/347985896.db2.gz PCRQPQOJILASRG-GFCCVEGCSA-N 1 2 249.358 1.573 20 30 BDEDLO Cc1noc(C[N@@H+](C)[C@H](C)CCC#N)n1 ZINC000594055446 348009962 /nfs/dbraw/zinc/00/99/62/348009962.db2.gz LBMDMUZJOIQPOB-MRVPVSSYSA-N 1 2 208.265 1.502 20 30 BDEDLO Cc1noc(C[N@H+](C)[C@H](C)CCC#N)n1 ZINC000594055446 348009964 /nfs/dbraw/zinc/00/99/64/348009964.db2.gz LBMDMUZJOIQPOB-MRVPVSSYSA-N 1 2 208.265 1.502 20 30 BDEDLO COc1c(C)[nH+]cnc1NCCCCC#N ZINC000594548617 348067442 /nfs/dbraw/zinc/06/74/42/348067442.db2.gz PJYYEXJXOGCNMT-UHFFFAOYSA-N 1 2 220.276 1.321 20 30 BDEDLO N#CCCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000594357219 348032943 /nfs/dbraw/zinc/03/29/43/348032943.db2.gz BCJYIFMOPPHPSP-NSHDSACASA-N 1 2 246.314 1.398 20 30 BDEDLO Cc1c[nH]c(CNc2n[nH]c(C3CC3)c2C#N)[nH+]1 ZINC000594946969 348146040 /nfs/dbraw/zinc/14/60/40/348146040.db2.gz UZUUNCZTOROCTK-UHFFFAOYSA-N 1 2 242.286 1.224 20 30 BDEDLO CC(C)(C)C[N@H+](CCC#N)CCc1c[nH]nn1 ZINC000595329263 348227547 /nfs/dbraw/zinc/22/75/47/348227547.db2.gz PCUHCQSCXZRWDR-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO CC(C)(C)C[N@@H+](CCC#N)CCc1c[nH]nn1 ZINC000595329263 348227549 /nfs/dbraw/zinc/22/75/49/348227549.db2.gz PCUHCQSCXZRWDR-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO CC(C)(C)C[N@H+](CCC#N)CCc1cn[nH]n1 ZINC000595329263 348227551 /nfs/dbraw/zinc/22/75/51/348227551.db2.gz PCUHCQSCXZRWDR-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO CC(C)(C)C[N@@H+](CCC#N)CCc1cn[nH]n1 ZINC000595329263 348227552 /nfs/dbraw/zinc/22/75/52/348227552.db2.gz PCUHCQSCXZRWDR-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO C[C@H](C#N)CN(Cc1cn(C)c[nH+]1)C1CC1 ZINC000595390045 348244063 /nfs/dbraw/zinc/24/40/63/348244063.db2.gz SYWKTLNDSMJDKH-SNVBAGLBSA-N 1 2 218.304 1.544 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCn3cncc3C2)C1 ZINC000595488007 348261499 /nfs/dbraw/zinc/26/14/99/348261499.db2.gz AVWGQQGXTDZSLR-WDEREUQCSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCn3cncc3C2)C1 ZINC000595488007 348261500 /nfs/dbraw/zinc/26/15/00/348261500.db2.gz AVWGQQGXTDZSLR-WDEREUQCSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@H]1CC[C@@H](N2CCn3c[nH+]cc3C2)C1 ZINC000595488007 348261502 /nfs/dbraw/zinc/26/15/02/348261502.db2.gz AVWGQQGXTDZSLR-WDEREUQCSA-N 1 2 216.288 1.391 20 30 BDEDLO C[N@H+](CCC#N)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595344107 348234369 /nfs/dbraw/zinc/23/43/69/348234369.db2.gz LQQRQCQFWYOTPJ-QJPTWQEYSA-N 1 2 235.331 1.279 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595344107 348234371 /nfs/dbraw/zinc/23/43/71/348234371.db2.gz LQQRQCQFWYOTPJ-QJPTWQEYSA-N 1 2 235.331 1.279 20 30 BDEDLO C=CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)COC ZINC000595644247 348295455 /nfs/dbraw/zinc/29/54/55/348295455.db2.gz BGKGLMGYDARXBB-NSHDSACASA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)COC ZINC000595644247 348295458 /nfs/dbraw/zinc/29/54/58/348295458.db2.gz BGKGLMGYDARXBB-NSHDSACASA-N 1 2 243.347 1.851 20 30 BDEDLO COC[C@@H]([NH2+]CCC#N)c1cccc(OC)c1 ZINC000595682998 348312268 /nfs/dbraw/zinc/31/22/68/348312268.db2.gz DITPBAOTHKSWDA-CYBMUJFWSA-N 1 2 234.299 1.886 20 30 BDEDLO C[C@H](C#N)[N@H+](CC[C@H]1CCCO1)C1CC1 ZINC000595710369 348322503 /nfs/dbraw/zinc/32/25/03/348322503.db2.gz RADQJQHMQRYIFW-ZYHUDNBSSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@H](C#N)[N@@H+](CC[C@H]1CCCO1)C1CC1 ZINC000595710369 348322506 /nfs/dbraw/zinc/32/25/06/348322506.db2.gz RADQJQHMQRYIFW-ZYHUDNBSSA-N 1 2 208.305 1.932 20 30 BDEDLO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC#N)cn1 ZINC000595771951 348336311 /nfs/dbraw/zinc/33/63/11/348336311.db2.gz QZUQBTNWEXWEPY-NEPJUHHUSA-N 1 2 218.304 1.244 20 30 BDEDLO C=C(C)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595776448 348338878 /nfs/dbraw/zinc/33/88/78/348338878.db2.gz WAWZLZLAGUJNIS-SNVBAGLBSA-N 1 2 203.257 1.443 20 30 BDEDLO CC[N@H+](CCCC(=O)NCC(C)C)[C@@H](C)C#N ZINC000595815437 348343395 /nfs/dbraw/zinc/34/33/95/348343395.db2.gz AWPMCHPOEDKWLE-LBPRGKRZSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[N@@H+](CCCC(=O)NCC(C)C)[C@@H](C)C#N ZINC000595815437 348343398 /nfs/dbraw/zinc/34/33/98/348343398.db2.gz AWPMCHPOEDKWLE-LBPRGKRZSA-N 1 2 239.363 1.773 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835481 348369298 /nfs/dbraw/zinc/36/92/98/348369298.db2.gz QWVIUSVAYRLHDB-LBPRGKRZSA-N 1 2 223.320 1.090 20 30 BDEDLO CCN(CC)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835481 348369301 /nfs/dbraw/zinc/36/93/01/348369301.db2.gz QWVIUSVAYRLHDB-LBPRGKRZSA-N 1 2 223.320 1.090 20 30 BDEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836015 348370104 /nfs/dbraw/zinc/37/01/04/348370104.db2.gz USHVBEKFUXJATE-GXTWGEPZSA-N 1 2 249.358 1.480 20 30 BDEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595836015 348370106 /nfs/dbraw/zinc/37/01/06/348370106.db2.gz USHVBEKFUXJATE-GXTWGEPZSA-N 1 2 249.358 1.480 20 30 BDEDLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841724 348377333 /nfs/dbraw/zinc/37/73/33/348377333.db2.gz WXYDKRNTWOIPOJ-DGCLKSJQSA-N 1 2 238.331 1.954 20 30 BDEDLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841724 348377335 /nfs/dbraw/zinc/37/73/35/348377335.db2.gz WXYDKRNTWOIPOJ-DGCLKSJQSA-N 1 2 238.331 1.954 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc(C)n1 ZINC000595842224 348377738 /nfs/dbraw/zinc/37/77/38/348377738.db2.gz QBZNLCACQNMZIB-ZDUSSCGKSA-N 1 2 230.315 1.829 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)nc(C)n1 ZINC000595842224 348377741 /nfs/dbraw/zinc/37/77/41/348377741.db2.gz QBZNLCACQNMZIB-ZDUSSCGKSA-N 1 2 230.315 1.829 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)nc(C)n1 ZINC000595842222 348378270 /nfs/dbraw/zinc/37/82/70/348378270.db2.gz QBZNLCACQNMZIB-CYBMUJFWSA-N 1 2 230.315 1.829 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)nc(C)n1 ZINC000595842222 348378273 /nfs/dbraw/zinc/37/82/73/348378273.db2.gz QBZNLCACQNMZIB-CYBMUJFWSA-N 1 2 230.315 1.829 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000595842352 348378352 /nfs/dbraw/zinc/37/83/52/348378352.db2.gz DQKKAKUUKLDEIC-LBPRGKRZSA-N 1 2 216.288 1.230 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000595842352 348378355 /nfs/dbraw/zinc/37/83/55/348378355.db2.gz DQKKAKUUKLDEIC-LBPRGKRZSA-N 1 2 216.288 1.230 20 30 BDEDLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844354 348382268 /nfs/dbraw/zinc/38/22/68/348382268.db2.gz SAOHEUHNMRSUAR-PWSUYJOCSA-N 1 2 222.288 1.174 20 30 BDEDLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844354 348382270 /nfs/dbraw/zinc/38/22/70/348382270.db2.gz 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XRWJGKWRJAWNKP-HTQZYQBOSA-N 1 2 239.237 1.892 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C#N)nn1 ZINC000596256804 348476664 /nfs/dbraw/zinc/47/66/64/348476664.db2.gz GJUUAXIMFAWNGD-SECBINFHSA-N 1 2 242.286 1.160 20 30 BDEDLO Cc1ccc(C#N)c(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000596236369 348482133 /nfs/dbraw/zinc/48/21/33/348482133.db2.gz HWOSVJYPGNJZMT-UHFFFAOYSA-N 1 2 239.282 1.548 20 30 BDEDLO N#Cc1cccc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000596237121 348482590 /nfs/dbraw/zinc/48/25/90/348482590.db2.gz QINLKXPKDIPEMB-UHFFFAOYSA-N 1 2 225.255 1.239 20 30 BDEDLO C[C@H](CC#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000596661272 348601304 /nfs/dbraw/zinc/60/13/04/348601304.db2.gz MEFLFMZWVAVPHT-SNVBAGLBSA-N 1 2 242.282 1.500 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597042580 348649447 /nfs/dbraw/zinc/64/94/47/348649447.db2.gz UKXYOXYWPLMHCE-UWVGGRQHSA-N 1 2 246.314 1.323 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597042580 348649449 /nfs/dbraw/zinc/64/94/49/348649449.db2.gz UKXYOXYWPLMHCE-UWVGGRQHSA-N 1 2 246.314 1.323 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597042582 348649463 /nfs/dbraw/zinc/64/94/63/348649463.db2.gz UKXYOXYWPLMHCE-ZJUUUORDSA-N 1 2 246.314 1.323 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597042582 348649465 /nfs/dbraw/zinc/64/94/65/348649465.db2.gz UKXYOXYWPLMHCE-ZJUUUORDSA-N 1 2 246.314 1.323 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000597079861 348658006 /nfs/dbraw/zinc/65/80/06/348658006.db2.gz IPUYSOBWMUCADF-AWEZNQCLSA-N 1 2 244.342 1.955 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000597079861 348658008 /nfs/dbraw/zinc/65/80/08/348658008.db2.gz IPUYSOBWMUCADF-AWEZNQCLSA-N 1 2 244.342 1.955 20 30 BDEDLO Cc1cccc2ncc(C[NH+]3CC(CC#N)C3)n21 ZINC000597192954 348671319 /nfs/dbraw/zinc/67/13/19/348671319.db2.gz BBRQFMUIAUXUOL-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596932875 348635414 /nfs/dbraw/zinc/63/54/14/348635414.db2.gz SOOAUODNLTZIAZ-ZJUUUORDSA-N 1 2 249.318 1.282 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn2c1CCC2 ZINC000596995596 348640481 /nfs/dbraw/zinc/64/04/81/348640481.db2.gz KWAUBWVXTMIGMZ-JTQLQIEISA-N 1 2 218.304 1.563 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn2c1CCC2 ZINC000596995596 348640483 /nfs/dbraw/zinc/64/04/83/348640483.db2.gz KWAUBWVXTMIGMZ-JTQLQIEISA-N 1 2 218.304 1.563 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)onc1CC ZINC000119529140 348719076 /nfs/dbraw/zinc/71/90/76/348719076.db2.gz VGZYECLHTVAKNY-UHFFFAOYSA-N 1 2 216.284 1.614 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000597361059 348723184 /nfs/dbraw/zinc/72/31/84/348723184.db2.gz NGPIQCXPVQBRJF-JTQLQIEISA-N 1 2 246.314 1.665 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000597361059 348723187 /nfs/dbraw/zinc/72/31/87/348723187.db2.gz NGPIQCXPVQBRJF-JTQLQIEISA-N 1 2 246.314 1.665 20 30 BDEDLO CCN(C)c1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597203569 348677186 /nfs/dbraw/zinc/67/71/86/348677186.db2.gz LDLIQESRDLLSGU-UHFFFAOYSA-N 1 2 244.342 1.883 20 30 BDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)cn1C ZINC000597204217 348677533 /nfs/dbraw/zinc/67/75/33/348677533.db2.gz UKXDDXZJGDGLRN-UHFFFAOYSA-N 1 2 247.298 1.157 20 30 BDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c[nH]1 ZINC000597231111 348698490 /nfs/dbraw/zinc/69/84/90/348698490.db2.gz WJYQFJZZWXFMPS-ZDUSSCGKSA-N 1 2 247.298 1.537 20 30 BDEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c[nH]1 ZINC000597231111 348698492 /nfs/dbraw/zinc/69/84/92/348698492.db2.gz WJYQFJZZWXFMPS-ZDUSSCGKSA-N 1 2 247.298 1.537 20 30 BDEDLO CCn1c[nH+]cc1CN1CC[C@@](C)(C#N)C1 ZINC000597232717 348700663 /nfs/dbraw/zinc/70/06/63/348700663.db2.gz WBVHCYBKJSYSDZ-LBPRGKRZSA-N 1 2 218.304 1.639 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)[C@H](C)CC#N ZINC000597715392 348789457 /nfs/dbraw/zinc/78/94/57/348789457.db2.gz KASFDWOZGNIWKE-SECBINFHSA-N 1 2 220.276 1.069 20 30 BDEDLO Cc1c(C[N@H+](C)CC(C)(C)C#N)cnn1C ZINC000354019308 348819942 /nfs/dbraw/zinc/81/99/42/348819942.db2.gz WVRHINPKJAJWTG-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO Cc1c(C[N@@H+](C)CC(C)(C)C#N)cnn1C ZINC000354019308 348819944 /nfs/dbraw/zinc/81/99/44/348819944.db2.gz WVRHINPKJAJWTG-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO C[C@H](CC#N)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000597739066 348803407 /nfs/dbraw/zinc/80/34/07/348803407.db2.gz WYKJZKUTOJQJKC-BBBLOLIVSA-N 1 2 232.287 1.555 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H](C)C#N ZINC000598356569 348940234 /nfs/dbraw/zinc/94/02/34/348940234.db2.gz RMCQNRYYTPQQCC-QWRGUYRKSA-N 1 2 246.314 1.206 20 30 BDEDLO CCc1ncc(C[NH2+]C[C@@H](C)C#N)s1 ZINC000054181609 348896035 /nfs/dbraw/zinc/89/60/35/348896035.db2.gz PHOLHHFKSYFMDO-QMMMGPOBSA-N 1 2 209.318 1.955 20 30 BDEDLO CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H](C)C#N ZINC000598361898 348947271 /nfs/dbraw/zinc/94/72/71/348947271.db2.gz RWIRKEYVRYHPEP-VIFPVBQESA-N 1 2 220.276 1.103 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354025468 348976551 /nfs/dbraw/zinc/97/65/51/348976551.db2.gz DTRDLFGMSZNAFC-JTQLQIEISA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354025468 348976553 /nfs/dbraw/zinc/97/65/53/348976553.db2.gz DTRDLFGMSZNAFC-JTQLQIEISA-N 1 2 232.331 1.853 20 30 BDEDLO C[C@H](CC#N)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464354 348978309 /nfs/dbraw/zinc/97/83/09/348978309.db2.gz IQFTZUUPOQXQIB-RKDXNWHRSA-N 1 2 220.276 1.147 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465344 348978517 /nfs/dbraw/zinc/97/85/17/348978517.db2.gz QLHLILJRNRGFDV-DTWKUNHWSA-N 1 2 220.276 1.147 20 30 BDEDLO Cc1nccnc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000598672577 349019689 /nfs/dbraw/zinc/01/96/89/349019689.db2.gz BPUTYKUAMBBIDD-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1nccnc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000598672577 349019690 /nfs/dbraw/zinc/01/96/90/349019690.db2.gz BPUTYKUAMBBIDD-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000599159966 349108751 /nfs/dbraw/zinc/10/87/51/349108751.db2.gz JAIRDOSNRHRJDG-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000599159966 349108753 /nfs/dbraw/zinc/10/87/53/349108753.db2.gz JAIRDOSNRHRJDG-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO COc1cncc(C[N@H+](CCC#N)CC2CC2)n1 ZINC000599307687 349143264 /nfs/dbraw/zinc/14/32/64/349143264.db2.gz MEWQNGJRVFJQDJ-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO COc1cncc(C[N@@H+](CCC#N)CC2CC2)n1 ZINC000599307687 349143267 /nfs/dbraw/zinc/14/32/67/349143267.db2.gz MEWQNGJRVFJQDJ-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO CCO[C@@H](C[N@@H+](CCC#N)CCOC)C1CC1 ZINC000599308609 349144453 /nfs/dbraw/zinc/14/44/53/349144453.db2.gz VBMBBSSNGAYFIJ-ZDUSSCGKSA-N 1 2 240.347 1.664 20 30 BDEDLO CCO[C@@H](C[N@H+](CCC#N)CCOC)C1CC1 ZINC000599308609 349144456 /nfs/dbraw/zinc/14/44/56/349144456.db2.gz VBMBBSSNGAYFIJ-ZDUSSCGKSA-N 1 2 240.347 1.664 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(C)(C)C ZINC000599438808 349177923 /nfs/dbraw/zinc/17/79/23/349177923.db2.gz XYWQDXIVMNKGOD-SNVBAGLBSA-N 1 2 225.336 1.431 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)nc1 ZINC000599644241 349239394 /nfs/dbraw/zinc/23/93/94/349239394.db2.gz XNSGCNWPINXVKY-CYBMUJFWSA-N 1 2 249.289 1.514 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)nc1 ZINC000599644241 349239398 /nfs/dbraw/zinc/23/93/98/349239398.db2.gz XNSGCNWPINXVKY-CYBMUJFWSA-N 1 2 249.289 1.514 20 30 BDEDLO COC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686778 349244575 /nfs/dbraw/zinc/24/45/75/349244575.db2.gz YQIVUWQHNMOLNN-UHFFFAOYSA-N 1 2 244.294 1.284 20 30 BDEDLO COC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686778 349244576 /nfs/dbraw/zinc/24/45/76/349244576.db2.gz YQIVUWQHNMOLNN-UHFFFAOYSA-N 1 2 244.294 1.284 20 30 BDEDLO Cc1cc(C(=O)NCCCC#N)c2[nH+]ccn2c1 ZINC000599751015 349254696 /nfs/dbraw/zinc/25/46/96/349254696.db2.gz PVBKMMLUIVKQRG-UHFFFAOYSA-N 1 2 242.282 1.676 20 30 BDEDLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCC[C@H]1C#N ZINC000601812874 349348444 /nfs/dbraw/zinc/34/84/44/349348444.db2.gz ZNGYBGGNHLLTSW-RYUDHWBXSA-N 1 2 246.314 1.424 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OC ZINC000300767694 349306945 /nfs/dbraw/zinc/30/69/45/349306945.db2.gz ADZGHJFZVIKJPP-GXSJLCMTSA-N 1 2 211.305 1.882 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCCC12CC2)C(=O)OC ZINC000601934243 349388140 /nfs/dbraw/zinc/38/81/40/349388140.db2.gz LFLFHQAWIZHKFB-VHSXEESVSA-N 1 2 209.289 1.636 20 30 BDEDLO Cc1cn2ccc(C(=O)N(C)CCC#N)cc2[nH+]1 ZINC000602079869 349430121 /nfs/dbraw/zinc/43/01/21/349430121.db2.gz FJWSOSAYOYJJMZ-UHFFFAOYSA-N 1 2 242.282 1.628 20 30 BDEDLO CC[C@@H](C[N@@H+](CCC#N)CCOC)OC ZINC000397117731 350092551 /nfs/dbraw/zinc/09/25/51/350092551.db2.gz WSXPMFVJTSFHAG-NSHDSACASA-N 1 2 214.309 1.273 20 30 BDEDLO CC[C@@H](C[N@H+](CCC#N)CCOC)OC ZINC000397117731 350092553 /nfs/dbraw/zinc/09/25/53/350092553.db2.gz WSXPMFVJTSFHAG-NSHDSACASA-N 1 2 214.309 1.273 20 30 BDEDLO CC(C)n1ncnc1C[NH+]1CCC(CC#N)CC1 ZINC000397179491 350124619 /nfs/dbraw/zinc/12/46/19/350124619.db2.gz IHSWRTTXOFUWDA-UHFFFAOYSA-N 1 2 247.346 1.985 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1ccncc1 ZINC000304194376 350238710 /nfs/dbraw/zinc/23/87/10/350238710.db2.gz AMORJKMPPAMDBD-GFCCVEGCSA-N 1 2 234.299 1.284 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1ccncc1 ZINC000304194376 350238712 /nfs/dbraw/zinc/23/87/12/350238712.db2.gz AMORJKMPPAMDBD-GFCCVEGCSA-N 1 2 234.299 1.284 20 30 BDEDLO C[C@H](C#N)CN(Cc1[nH+]ccn1C)C1CC1 ZINC000336709308 350461542 /nfs/dbraw/zinc/46/15/42/350461542.db2.gz WPRURQTXZMMMSE-SNVBAGLBSA-N 1 2 218.304 1.544 20 30 BDEDLO CCn1ccnc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000581721920 350762465 /nfs/dbraw/zinc/76/24/65/350762465.db2.gz WQUYYMSVQAYROP-VXGBXAGGSA-N 1 2 245.330 1.997 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC[C@@H](C#N)CCC#N ZINC000581721920 350762469 /nfs/dbraw/zinc/76/24/69/350762469.db2.gz WQUYYMSVQAYROP-VXGBXAGGSA-N 1 2 245.330 1.997 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000339757482 350817499 /nfs/dbraw/zinc/81/74/99/350817499.db2.gz SDUMBIXKIDYYMC-NSHDSACASA-N 1 2 210.321 1.102 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000339757482 350817501 /nfs/dbraw/zinc/81/75/01/350817501.db2.gz SDUMBIXKIDYYMC-NSHDSACASA-N 1 2 210.321 1.102 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000577614679 366018687 /nfs/dbraw/zinc/01/86/87/366018687.db2.gz MHBOVCFYKZFGPM-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000336698797 351041599 /nfs/dbraw/zinc/04/15/99/351041599.db2.gz ORLTWKUXWPKMQM-JGVFFNPUSA-N 1 2 224.226 1.391 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000336698797 351041600 /nfs/dbraw/zinc/04/16/00/351041600.db2.gz ORLTWKUXWPKMQM-JGVFFNPUSA-N 1 2 224.226 1.391 20 30 BDEDLO C=CC(C)(C)CCNC(=O)CCn1cc[nH+]c1 ZINC000628316293 351048347 /nfs/dbraw/zinc/04/83/47/351048347.db2.gz PVQQUKVQGCMFTC-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+](C)C[C@@H](C)C#N)n1 ZINC000271112519 351401242 /nfs/dbraw/zinc/40/12/42/351401242.db2.gz CCJWXVAUMGZLBR-VIFPVBQESA-N 1 2 219.288 1.687 20 30 BDEDLO Cc1ccc(O)c(C[N@H+](C)C[C@@H](C)C#N)n1 ZINC000271112519 351401246 /nfs/dbraw/zinc/40/12/46/351401246.db2.gz CCJWXVAUMGZLBR-VIFPVBQESA-N 1 2 219.288 1.687 20 30 BDEDLO N#CCCCNC(=O)NCCNc1cccc[nH+]1 ZINC000273143110 351509581 /nfs/dbraw/zinc/50/95/81/351509581.db2.gz VZUNARACIKMUAT-UHFFFAOYSA-N 1 2 247.302 1.096 20 30 BDEDLO CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC000336727834 351547227 /nfs/dbraw/zinc/54/72/27/351547227.db2.gz GUDRMRMREXJFSI-VWYCJHECSA-N 1 2 224.304 1.610 20 30 BDEDLO N#CCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275919287 351607160 /nfs/dbraw/zinc/60/71/60/351607160.db2.gz ZBIRFSCBGKYKGK-LBPRGKRZSA-N 1 2 241.298 1.787 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccncc2C)nn1 ZINC000577620902 366020832 /nfs/dbraw/zinc/02/08/32/366020832.db2.gz KKTGSHDBQGYFGQ-UHFFFAOYSA-N 1 2 243.314 1.457 20 30 BDEDLO C#CCN(CC#N)Cc1[nH+]ccn1C(C)C ZINC000281395918 351890361 /nfs/dbraw/zinc/89/03/61/351890361.db2.gz OLPZZALYVZEUSG-UHFFFAOYSA-N 1 2 216.288 1.423 20 30 BDEDLO NC(=[NH+]OCc1cccnc1)[C@@H]1CCCO1 ZINC000284492106 351998582 /nfs/dbraw/zinc/99/85/82/351998582.db2.gz SKEJNDIKHFZZMB-JTQLQIEISA-N 1 2 221.260 1.049 20 30 BDEDLO CCCCNc1cc(NCCCC#N)nc(N)[nH+]1 ZINC000286928805 352108193 /nfs/dbraw/zinc/10/81/93/352108193.db2.gz QOKJLXTUVYOGDK-UHFFFAOYSA-N 1 2 248.334 1.986 20 30 BDEDLO CCCCNc1cc(NCCCC#N)[nH+]c(N)n1 ZINC000286928805 352108195 /nfs/dbraw/zinc/10/81/95/352108195.db2.gz QOKJLXTUVYOGDK-UHFFFAOYSA-N 1 2 248.334 1.986 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2cccnc2n1 ZINC000291387346 352274586 /nfs/dbraw/zinc/27/45/86/352274586.db2.gz BZODFFBXRFEXMO-JTQLQIEISA-N 1 2 229.287 1.511 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C#N)C(C)(C)C ZINC000291798077 352289855 /nfs/dbraw/zinc/28/98/55/352289855.db2.gz BNGBOIDGNFAHNK-SNVBAGLBSA-N 1 2 234.303 1.315 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C#N)C(C)(C)C ZINC000291798077 352289857 /nfs/dbraw/zinc/28/98/57/352289857.db2.gz BNGBOIDGNFAHNK-SNVBAGLBSA-N 1 2 234.303 1.315 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCc1cncs1 ZINC000411228205 191171612 /nfs/dbraw/zinc/17/16/12/191171612.db2.gz QOMFNSSBEJOGMH-SECBINFHSA-N 1 2 209.318 1.777 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCc1cncs1 ZINC000411228205 191171615 /nfs/dbraw/zinc/17/16/15/191171615.db2.gz QOMFNSSBEJOGMH-SECBINFHSA-N 1 2 209.318 1.777 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411622047 191198477 /nfs/dbraw/zinc/19/84/77/191198477.db2.gz GBESGDZHNMKJSI-VIFPVBQESA-N 1 2 224.308 1.309 20 30 BDEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411622047 191198479 /nfs/dbraw/zinc/19/84/79/191198479.db2.gz GBESGDZHNMKJSI-VIFPVBQESA-N 1 2 224.308 1.309 20 30 BDEDLO CC[N@H+](CC(=O)NCC#N)Cc1occc1C ZINC000412033047 191243094 /nfs/dbraw/zinc/24/30/94/191243094.db2.gz ZZNBYUBNFGSTLB-UHFFFAOYSA-N 1 2 235.287 1.050 20 30 BDEDLO 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BDEDLO C=C(C)C[N@@H+](C)CC(=O)c1cccn1C ZINC000181261575 134334350 /nfs/dbraw/zinc/33/43/50/134334350.db2.gz DSARNMAYGRKZQV-UHFFFAOYSA-N 1 2 206.289 1.716 20 30 BDEDLO C=C(C)C[N@H+](C)CC(=O)c1cccn1C ZINC000181261575 134334351 /nfs/dbraw/zinc/33/43/51/134334351.db2.gz DSARNMAYGRKZQV-UHFFFAOYSA-N 1 2 206.289 1.716 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCNC1=O ZINC000298422150 383879548 /nfs/dbraw/zinc/87/95/48/383879548.db2.gz FYVFLLPQUAPASS-CYBMUJFWSA-N 1 2 228.295 1.010 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H]1CCNC1=O ZINC000298422150 383879550 /nfs/dbraw/zinc/87/95/50/383879550.db2.gz FYVFLLPQUAPASS-CYBMUJFWSA-N 1 2 228.295 1.010 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C ZINC000298528344 383914503 /nfs/dbraw/zinc/91/45/03/383914503.db2.gz LZSWPAJZJPUZEU-ZDUSSCGKSA-N 1 2 244.338 1.599 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C ZINC000298528344 383914509 /nfs/dbraw/zinc/91/45/09/383914509.db2.gz LZSWPAJZJPUZEU-ZDUSSCGKSA-N 1 2 244.338 1.599 20 30 BDEDLO N#CCCN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131897641 383885463 /nfs/dbraw/zinc/88/54/63/383885463.db2.gz WLQDCXADXDVSQS-GFCCVEGCSA-N 1 2 217.272 1.448 20 30 BDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000339577043 383997655 /nfs/dbraw/zinc/99/76/55/383997655.db2.gz CKJSNGWMRSXDSJ-NRUUGDAUSA-N 1 2 243.310 1.425 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000339577043 383997661 /nfs/dbraw/zinc/99/76/61/383997661.db2.gz CKJSNGWMRSXDSJ-NRUUGDAUSA-N 1 2 243.310 1.425 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@@H](CF)C2)cc1C#N ZINC000334858508 383970315 /nfs/dbraw/zinc/97/03/15/383970315.db2.gz CBMZIKRITMEKLJ-LBPRGKRZSA-N 1 2 237.278 1.067 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@@H](CF)C2)cc1C#N ZINC000334858508 383970317 /nfs/dbraw/zinc/97/03/17/383970317.db2.gz CBMZIKRITMEKLJ-LBPRGKRZSA-N 1 2 237.278 1.067 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(C#N)o1 ZINC000335071173 384019417 /nfs/dbraw/zinc/01/94/17/384019417.db2.gz BYJYLYMUYIGVMU-UHFFFAOYSA-N 1 2 227.223 1.529 20 30 BDEDLO C[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000234334254 384056811 /nfs/dbraw/zinc/05/68/11/384056811.db2.gz UGGLNHWXBNHZEV-UHFFFAOYSA-N 1 2 236.706 1.358 20 30 BDEDLO C=CCN(c1cc(NC[C@H](C)O)[nH+]cn1)C1CC1 ZINC000299081791 384107958 /nfs/dbraw/zinc/10/79/58/384107958.db2.gz VSZFQAUAMCFGEY-JTQLQIEISA-N 1 2 248.330 1.424 20 30 BDEDLO C=CCN(c1cc(NC[C@H](C)O)nc[nH+]1)C1CC1 ZINC000299081791 384107963 /nfs/dbraw/zinc/10/79/63/384107963.db2.gz VSZFQAUAMCFGEY-JTQLQIEISA-N 1 2 248.330 1.424 20 30 BDEDLO CC(C)(O)CC[N@H+](CC#N)C1CCCC1 ZINC000081676540 384196315 /nfs/dbraw/zinc/19/63/15/384196315.db2.gz KMNDLGUNNXTZEP-UHFFFAOYSA-N 1 2 210.321 1.916 20 30 BDEDLO CC(C)(O)CC[N@@H+](CC#N)C1CCCC1 ZINC000081676540 384196319 /nfs/dbraw/zinc/19/63/19/384196319.db2.gz KMNDLGUNNXTZEP-UHFFFAOYSA-N 1 2 210.321 1.916 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc2cnccn12 ZINC000093090546 384211940 /nfs/dbraw/zinc/21/19/40/384211940.db2.gz XLIKLADRIMLMIZ-JTQLQIEISA-N 1 2 229.287 1.463 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc2cnccn12 ZINC000093090546 384211947 /nfs/dbraw/zinc/21/19/47/384211947.db2.gz XLIKLADRIMLMIZ-JTQLQIEISA-N 1 2 229.287 1.463 20 30 BDEDLO C#CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153294462 384220420 /nfs/dbraw/zinc/22/04/20/384220420.db2.gz CDONARYLZDXCNA-UHFFFAOYSA-N 1 2 216.240 1.586 20 30 BDEDLO C#CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153294462 384220429 /nfs/dbraw/zinc/22/04/29/384220429.db2.gz CDONARYLZDXCNA-UHFFFAOYSA-N 1 2 216.240 1.586 20 30 BDEDLO N#Cc1nn(CC2CC[NH2+]CC2)c2ccccc12 ZINC000335448191 384289314 /nfs/dbraw/zinc/28/93/14/384289314.db2.gz WLFCZTGCYZYQSF-UHFFFAOYSA-N 1 2 240.310 1.908 20 30 BDEDLO Cc1cc(NC[C@H]2CCSC2)c(C#N)c[nH+]1 ZINC000335514727 384295768 /nfs/dbraw/zinc/29/57/68/384295768.db2.gz YDLGWTLEFZEFRO-SNVBAGLBSA-N 1 2 233.340 1.849 20 30 BDEDLO C#CCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000372114946 533057510 /nfs/dbraw/zinc/05/75/10/533057510.db2.gz BFAOKVQKNHQXAP-UHFFFAOYSA-N 1 2 212.256 1.124 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N1CCO[C@H](C#N)C1 ZINC000121424928 384417402 /nfs/dbraw/zinc/41/74/02/384417402.db2.gz XCHQLDULENMRCK-SNVBAGLBSA-N 1 2 246.270 1.146 20 30 BDEDLO C#CCN(CC#C)Cc1c[nH+]c2cccc(C)n12 ZINC000490899212 384480491 /nfs/dbraw/zinc/48/04/91/384480491.db2.gz NQRMSSKZDSHPKS-UHFFFAOYSA-N 1 2 237.306 1.711 20 30 BDEDLO Cc1nsc(N2CC[NH+](C)CC2)c1C#N ZINC000285463354 384488964 /nfs/dbraw/zinc/48/89/64/384488964.db2.gz BNXAEJQQPSLYEJ-UHFFFAOYSA-N 1 2 222.317 1.075 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000049000970 384514292 /nfs/dbraw/zinc/51/42/92/384514292.db2.gz JVBPIDKZVLGQFC-SNVBAGLBSA-N 1 2 231.299 1.377 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000049000970 384514300 /nfs/dbraw/zinc/51/43/00/384514300.db2.gz JVBPIDKZVLGQFC-SNVBAGLBSA-N 1 2 231.299 1.377 20 30 BDEDLO N#CC[N@@H+](C[C@@H](O)Cn1cccn1)C1CCCC1 ZINC000172572342 384604637 /nfs/dbraw/zinc/60/46/37/384604637.db2.gz MKAZFUFNRHJRSH-CYBMUJFWSA-N 1 2 248.330 1.012 20 30 BDEDLO N#CC[N@H+](C[C@@H](O)Cn1cccn1)C1CCCC1 ZINC000172572342 384604647 /nfs/dbraw/zinc/60/46/47/384604647.db2.gz MKAZFUFNRHJRSH-CYBMUJFWSA-N 1 2 248.330 1.012 20 30 BDEDLO C=C(Br)C[NH2+][C@@H](C)c1nncn1C ZINC000050418957 384624869 /nfs/dbraw/zinc/62/48/69/384624869.db2.gz XBPDIKJQIDXRAX-ZETCQYMHSA-N 1 2 245.124 1.374 20 30 BDEDLO C#CC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000041636173 384631783 /nfs/dbraw/zinc/63/17/83/384631783.db2.gz YXYPAEAOSVIZLL-AWEZNQCLSA-N 1 2 214.312 1.608 20 30 BDEDLO C#CC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000041636173 384631790 /nfs/dbraw/zinc/63/17/90/384631790.db2.gz YXYPAEAOSVIZLL-AWEZNQCLSA-N 1 2 214.312 1.608 20 30 BDEDLO C#C[C@H](CCC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000491393617 384673972 /nfs/dbraw/zinc/67/39/72/384673972.db2.gz IVURBRRSCFDQKC-SNVBAGLBSA-N 1 2 219.288 1.260 20 30 BDEDLO C=CCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363598557 384647130 /nfs/dbraw/zinc/64/71/30/384647130.db2.gz AUWRARSIYIRNRX-UHFFFAOYSA-N 1 2 247.342 1.844 20 30 BDEDLO C#CC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000306481096 384762350 /nfs/dbraw/zinc/76/23/50/384762350.db2.gz FSRKCFPIVZLUQK-ZETCQYMHSA-N 1 2 240.104 1.523 20 30 BDEDLO N#Cc1nccn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000188135572 384818841 /nfs/dbraw/zinc/81/88/41/384818841.db2.gz RXUUZZCOJAPJEN-UHFFFAOYSA-N 1 2 249.277 1.989 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@H](C)COC)C(=O)OCC ZINC000449658677 384833165 /nfs/dbraw/zinc/83/31/65/384833165.db2.gz UCIGLKHHIURHOO-GHMZBOCLSA-N 1 2 229.320 1.509 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C(=O)C1(C#N)CCC1 ZINC000083798191 384797559 /nfs/dbraw/zinc/79/75/59/384797559.db2.gz IEPDOFHUYDUYGT-UHFFFAOYSA-N 1 2 232.287 1.072 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000119717978 384871412 /nfs/dbraw/zinc/87/14/12/384871412.db2.gz LZDAWJSUUUQVOD-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000119717978 384871418 /nfs/dbraw/zinc/87/14/18/384871418.db2.gz LZDAWJSUUUQVOD-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCn1cc(Cl)cn1 ZINC000312901266 384876381 /nfs/dbraw/zinc/87/63/81/384876381.db2.gz UDSHSIDGGNOERF-SECBINFHSA-N 1 2 226.711 1.770 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000312901266 384876394 /nfs/dbraw/zinc/87/63/94/384876394.db2.gz UDSHSIDGGNOERF-SECBINFHSA-N 1 2 226.711 1.770 20 30 BDEDLO C=CCN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000161289519 384960979 /nfs/dbraw/zinc/96/09/79/384960979.db2.gz CVOUOFQHBJMNMH-UHFFFAOYSA-N 1 2 244.298 1.662 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000192221642 384913370 /nfs/dbraw/zinc/91/33/70/384913370.db2.gz FJLZTXDTMMVCLD-JTQLQIEISA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000192221642 384913377 /nfs/dbraw/zinc/91/33/77/384913377.db2.gz FJLZTXDTMMVCLD-JTQLQIEISA-N 1 2 211.305 1.672 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491542779 385124703 /nfs/dbraw/zinc/12/47/03/385124703.db2.gz BYVCBQAKCNBNGI-NXEZZACHSA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491542779 385124707 /nfs/dbraw/zinc/12/47/07/385124707.db2.gz BYVCBQAKCNBNGI-NXEZZACHSA-N 1 2 219.288 1.116 20 30 BDEDLO CC#CCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000360448110 385162976 /nfs/dbraw/zinc/16/29/76/385162976.db2.gz OWGUZESPMRHGKC-GYSYKLTISA-N 1 2 213.346 1.241 20 30 BDEDLO CC#CCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000360448110 385162981 /nfs/dbraw/zinc/16/29/81/385162981.db2.gz OWGUZESPMRHGKC-GYSYKLTISA-N 1 2 213.346 1.241 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000119727355 385171520 /nfs/dbraw/zinc/17/15/20/385171520.db2.gz LRQJULIJNXZSSI-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000119727355 385171523 /nfs/dbraw/zinc/17/15/23/385171523.db2.gz LRQJULIJNXZSSI-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CC#N ZINC000153493512 385258506 /nfs/dbraw/zinc/25/85/06/385258506.db2.gz CDPPRQOFRLQKHE-UHFFFAOYSA-N 1 2 242.282 1.375 20 30 BDEDLO C=CC[C@H](CC)NC(=O)NCc1c[nH+]cn1C ZINC000292173907 385278413 /nfs/dbraw/zinc/27/84/13/385278413.db2.gz AEIRGNSYCRLANR-JTQLQIEISA-N 1 2 236.319 1.574 20 30 BDEDLO C#C[C@@H]1COCCN1Cc1[nH+]ccn1C(C)C ZINC000491660946 385400005 /nfs/dbraw/zinc/40/00/05/385400005.db2.gz PEPDOKVYJLHVOQ-GFCCVEGCSA-N 1 2 233.315 1.298 20 30 BDEDLO C=CCCOCC(=O)Nc1ccc(N)[nH+]c1 ZINC000644084445 385434806 /nfs/dbraw/zinc/43/48/06/385434806.db2.gz PJNIEUVEKOUKDV-UHFFFAOYSA-N 1 2 221.260 1.025 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000072907077 533120197 /nfs/dbraw/zinc/12/01/97/533120197.db2.gz ZDNOOXFWVCHEGH-AWEZNQCLSA-N 1 2 248.370 1.448 20 30 BDEDLO N#CCCCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000171417202 385483865 /nfs/dbraw/zinc/48/38/65/385483865.db2.gz YPPFAYXOVRVXHB-RIYZIHGNSA-N 1 2 234.255 1.916 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](C)[C@H](C)CC#N ZINC000180056995 385506313 /nfs/dbraw/zinc/50/63/13/385506313.db2.gz HRVNBGYGLXPVNE-SNVBAGLBSA-N 1 2 220.320 1.716 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000180056995 385506315 /nfs/dbraw/zinc/50/63/15/385506315.db2.gz HRVNBGYGLXPVNE-SNVBAGLBSA-N 1 2 220.320 1.716 20 30 BDEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592152672 385567362 /nfs/dbraw/zinc/56/73/62/385567362.db2.gz ZWINONSZTOFOSD-ZDUSSCGKSA-N 1 2 248.330 1.314 20 30 BDEDLO CC(C)n1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592152672 385567365 /nfs/dbraw/zinc/56/73/65/385567365.db2.gz ZWINONSZTOFOSD-ZDUSSCGKSA-N 1 2 248.330 1.314 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC(F)(F)CC1 ZINC000599553252 385661825 /nfs/dbraw/zinc/66/18/25/385661825.db2.gz WTIICVQDWFXPIJ-VIFPVBQESA-N 1 2 233.258 1.835 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCC(F)(F)CC1 ZINC000599553252 385661854 /nfs/dbraw/zinc/66/18/54/385661854.db2.gz WTIICVQDWFXPIJ-VIFPVBQESA-N 1 2 233.258 1.835 20 30 BDEDLO Cc1oc(NC(=O)Cn2cc[nH+]c2)c(C#N)c1C ZINC000120543948 385693765 /nfs/dbraw/zinc/69/37/65/385693765.db2.gz USZAHZGQZVENFG-UHFFFAOYSA-N 1 2 244.254 1.603 20 30 BDEDLO C#C[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000491740652 385754630 /nfs/dbraw/zinc/75/46/30/385754630.db2.gz QWEXZXDAYHARIG-LBPRGKRZSA-N 1 2 245.326 1.900 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1nc2ccccc2n1C ZINC000070163176 385857621 /nfs/dbraw/zinc/85/76/21/385857621.db2.gz JEGOSSVXLBMCQH-SNVBAGLBSA-N 1 2 228.299 1.823 20 30 BDEDLO C#CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000274150170 386077438 /nfs/dbraw/zinc/07/74/38/386077438.db2.gz KVWUEYJRJGAPFI-AWEZNQCLSA-N 1 2 247.342 1.138 20 30 BDEDLO C#CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000274150170 386077442 /nfs/dbraw/zinc/07/74/42/386077442.db2.gz KVWUEYJRJGAPFI-AWEZNQCLSA-N 1 2 247.342 1.138 20 30 BDEDLO Cc1c(C[N@H+](C)Cc2ccc(C#N)o2)cnn1C ZINC000571866112 386232921 /nfs/dbraw/zinc/23/29/21/386232921.db2.gz IIMIHUBDEDVBOG-UHFFFAOYSA-N 1 2 244.298 1.825 20 30 BDEDLO Cc1c(C[N@@H+](C)Cc2ccc(C#N)o2)cnn1C ZINC000571866112 386232931 /nfs/dbraw/zinc/23/29/31/386232931.db2.gz IIMIHUBDEDVBOG-UHFFFAOYSA-N 1 2 244.298 1.825 20 30 BDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(C)(C)C#N ZINC000347178357 386269370 /nfs/dbraw/zinc/26/93/70/386269370.db2.gz YMYNWKFTFPGFIA-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347178357 386269377 /nfs/dbraw/zinc/26/93/77/386269377.db2.gz YMYNWKFTFPGFIA-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[N@H+](CCC(C)(C)C#N)CC1=O ZINC000347178131 386269488 /nfs/dbraw/zinc/26/94/88/386269488.db2.gz YDNPSNNBCKSULK-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO CCN1CC[N@@H+](CCC(C)(C)C#N)CC1=O ZINC000347178131 386269493 /nfs/dbraw/zinc/26/94/93/386269493.db2.gz YDNPSNNBCKSULK-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccc(C#N)cc1 ZINC000184691282 386374992 /nfs/dbraw/zinc/37/49/92/386374992.db2.gz KVYRYCXCSKGXEN-SECBINFHSA-N 1 2 240.253 1.836 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1CC(F)(F)F ZINC000191042843 386445878 /nfs/dbraw/zinc/44/58/78/386445878.db2.gz BRRDJXAPZXSXRF-UHFFFAOYSA-N 1 2 249.240 1.243 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnnn1CC(F)(F)F ZINC000191042843 386445882 /nfs/dbraw/zinc/44/58/82/386445882.db2.gz BRRDJXAPZXSXRF-UHFFFAOYSA-N 1 2 249.240 1.243 20 30 BDEDLO Cc1cc(N2CC[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000399209971 386492723 /nfs/dbraw/zinc/49/27/23/386492723.db2.gz XLOSCNPOGNXCSR-SNVBAGLBSA-N 1 2 217.272 1.080 20 30 BDEDLO Cc1cc(N[C@@H]2CCC[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000399001952 386504742 /nfs/dbraw/zinc/50/47/42/386504742.db2.gz UAZRJHUVKXFJNX-WCQYABFASA-N 1 2 245.326 1.647 20 30 BDEDLO Cc1cc(NC[C@@H](O)CC(C)(C)C)c(C#N)c[nH+]1 ZINC000399002899 386504859 /nfs/dbraw/zinc/50/48/59/386504859.db2.gz UXBZMDJMKNNBTR-LBPRGKRZSA-N 1 2 247.342 1.893 20 30 BDEDLO Cc1cc(N2C[C@H](C)[C@H](O)C2)c(C#N)c[nH+]1 ZINC000399003273 386505121 /nfs/dbraw/zinc/50/51/21/386505121.db2.gz UWJNVTRQMPGKSS-QPUJVOFHSA-N 1 2 217.272 1.079 20 30 BDEDLO CC#CC[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000645405053 386464694 /nfs/dbraw/zinc/46/46/94/386464694.db2.gz XWNNDEYPIONMKO-SNVBAGLBSA-N 1 2 244.298 1.453 20 30 BDEDLO N#CC1(C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000343236588 386533063 /nfs/dbraw/zinc/53/30/63/386533063.db2.gz IMLYTLLNJQXUHR-UHFFFAOYSA-N 1 2 242.326 1.507 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)CC2(CCC2)O1 ZINC000335465111 386551876 /nfs/dbraw/zinc/55/18/76/386551876.db2.gz SUBGGCTYBYXQQC-LLVKDONJSA-N 1 2 220.316 1.934 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC2(CCC2)O1 ZINC000335465111 386551881 /nfs/dbraw/zinc/55/18/81/386551881.db2.gz SUBGGCTYBYXQQC-LLVKDONJSA-N 1 2 220.316 1.934 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCO1 ZINC000328982022 386665985 /nfs/dbraw/zinc/66/59/85/386665985.db2.gz YKAQQQRURKWNOH-LDYMZIIASA-N 1 2 235.287 1.403 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCO1 ZINC000328982022 386665992 /nfs/dbraw/zinc/66/59/92/386665992.db2.gz YKAQQQRURKWNOH-LDYMZIIASA-N 1 2 235.287 1.403 20 30 BDEDLO Cc1[nH]c(C(=O)NCc2noc(C3CC3)n2)c[nH+]1 ZINC000328991283 386668452 /nfs/dbraw/zinc/66/84/52/386668452.db2.gz SJALZLOTMKGLKN-UHFFFAOYSA-N 1 2 247.258 1.483 20 30 BDEDLO Cc1cc(N[C@@H](C)CC(C)(C)O)c(C#N)c[nH+]1 ZINC000399061123 386670451 /nfs/dbraw/zinc/67/04/51/386670451.db2.gz LNQOKGDVRRLCEZ-JTQLQIEISA-N 1 2 233.315 1.645 20 30 BDEDLO CO[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399356359 386691545 /nfs/dbraw/zinc/69/15/45/386691545.db2.gz FXWRGFGMOCCDIQ-NEPJUHHUSA-N 1 2 231.299 1.663 20 30 BDEDLO Cc1cc(N2CCCOCC2)c(C#N)c[nH+]1 ZINC000399362790 386706992 /nfs/dbraw/zinc/70/69/92/386706992.db2.gz ABJVCMCYMNWQKW-UHFFFAOYSA-N 1 2 217.272 1.488 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000645090513 386708411 /nfs/dbraw/zinc/70/84/11/386708411.db2.gz DYLMQEICBQTVNZ-UHFFFAOYSA-N 1 2 246.314 1.364 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1nnc2ccccn21 ZINC000645090513 386708415 /nfs/dbraw/zinc/70/84/15/386708415.db2.gz DYLMQEICBQTVNZ-UHFFFAOYSA-N 1 2 246.314 1.364 20 30 BDEDLO Cc1[nH]c(C(=O)NCC[C@@H](O)C(C)C)c[nH+]1 ZINC000330444661 386740032 /nfs/dbraw/zinc/74/00/32/386740032.db2.gz GMCSBMXFQQSJEI-SNVBAGLBSA-N 1 2 225.292 1.430 20 30 BDEDLO CC[C@@H](O)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000330466091 386726054 /nfs/dbraw/zinc/72/60/54/386726054.db2.gz WXUPATWLJRGIMZ-SECBINFHSA-N 1 2 225.292 1.574 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000336668115 386789747 /nfs/dbraw/zinc/78/97/47/386789747.db2.gz ZQYYDXVOPIBQKQ-ZCFIWIBFSA-N 1 2 218.709 1.433 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(C(=O)OC)n1 ZINC000518865778 386839005 /nfs/dbraw/zinc/83/90/05/386839005.db2.gz IIMIMYYXEPPBKA-SNVBAGLBSA-N 1 2 247.298 1.650 20 30 BDEDLO CO[C@@](C)(CNc1cc(C)[nH+]cc1C#N)C1CC1 ZINC000399538252 386971454 /nfs/dbraw/zinc/97/14/54/386971454.db2.gz XNZNYNXPAGEWNG-AWEZNQCLSA-N 1 2 245.326 1.911 20 30 BDEDLO Cc1cc(NCCOCC(F)F)c(C#N)c[nH+]1 ZINC000399555098 387001713 /nfs/dbraw/zinc/00/17/13/387001713.db2.gz CNGZSVGLCGYLIZ-UHFFFAOYSA-N 1 2 241.241 1.377 20 30 BDEDLO Cc1cc(NC[C@@H](O)C(C)C)c(C#N)c[nH+]1 ZINC000399163323 387010831 /nfs/dbraw/zinc/01/08/31/387010831.db2.gz FYPLZXLRWVNJKG-GFCCVEGCSA-N 1 2 219.288 1.112 20 30 BDEDLO CCOC(=O)CCN(C)c1cc(C)[nH+]cc1C#N ZINC000399582319 387025998 /nfs/dbraw/zinc/02/59/98/387025998.db2.gz NWGBJUDIHUDONR-UHFFFAOYSA-N 1 2 247.298 1.651 20 30 BDEDLO C#CC[C@H](C)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000372715098 533211684 /nfs/dbraw/zinc/21/16/84/533211684.db2.gz MMZANMDIVIOUBQ-WDEREUQCSA-N 1 2 231.299 1.289 20 30 BDEDLO Cn1c[nH+]cc1CN1CCc2ccc(C#N)cc21 ZINC000270305937 387194146 /nfs/dbraw/zinc/19/41/46/387194146.db2.gz PBKHGQDRDFZHDU-UHFFFAOYSA-N 1 2 238.294 1.854 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000525950173 387325510 /nfs/dbraw/zinc/32/55/10/387325510.db2.gz FJBGPFMZPRMLTP-ZDUSSCGKSA-N 1 2 233.315 1.869 20 30 BDEDLO Cc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000515833650 387432877 /nfs/dbraw/zinc/43/28/77/387432877.db2.gz JHEWXQXTFOYYSU-CQSZACIVSA-N 1 2 247.342 1.613 20 30 BDEDLO Cc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000515833650 387432880 /nfs/dbraw/zinc/43/28/80/387432880.db2.gz JHEWXQXTFOYYSU-CQSZACIVSA-N 1 2 247.342 1.613 20 30 BDEDLO CC#CCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274259442 387465214 /nfs/dbraw/zinc/46/52/14/387465214.db2.gz BIGLHYNUCREKDO-GFCCVEGCSA-N 1 2 233.315 1.581 20 30 BDEDLO C#CC[N@@H+](Cc1cc(=O)c(OC)co1)C1CC1 ZINC000274248862 387466825 /nfs/dbraw/zinc/46/68/25/387466825.db2.gz ZEUAXXWHHZBOLY-UHFFFAOYSA-N 1 2 233.267 1.246 20 30 BDEDLO C#CC[N@H+](Cc1cc(=O)c(OC)co1)C1CC1 ZINC000274248862 387466830 /nfs/dbraw/zinc/46/68/30/387466830.db2.gz ZEUAXXWHHZBOLY-UHFFFAOYSA-N 1 2 233.267 1.246 20 30 BDEDLO CC#CCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000516250022 387488212 /nfs/dbraw/zinc/48/82/12/387488212.db2.gz VDUFFPAFOFONOF-UHFFFAOYSA-N 1 2 231.299 1.607 20 30 BDEDLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000293697447 387547717 /nfs/dbraw/zinc/54/77/17/387547717.db2.gz WVLUABDMFGVCGF-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000293697447 387547721 /nfs/dbraw/zinc/54/77/21/387547721.db2.gz WVLUABDMFGVCGF-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO CC#CCCNc1[nH+]cnc2c1cnn2C ZINC000125868503 387666203 /nfs/dbraw/zinc/66/62/03/387666203.db2.gz YFDMULJFXJBVGM-UHFFFAOYSA-N 1 2 215.260 1.189 20 30 BDEDLO Cc1cc(NCCc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000399496704 387748974 /nfs/dbraw/zinc/74/89/74/387748974.db2.gz JJTKRMMVCLXEBT-UHFFFAOYSA-N 1 2 241.298 1.072 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccccc1 ZINC000424140789 387700598 /nfs/dbraw/zinc/70/05/98/387700598.db2.gz SXIABWQAIJUQAS-ZDUSSCGKSA-N 1 2 233.315 1.305 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccccc1 ZINC000424140789 387700602 /nfs/dbraw/zinc/70/06/02/387700602.db2.gz SXIABWQAIJUQAS-ZDUSSCGKSA-N 1 2 233.315 1.305 20 30 BDEDLO COC(=O)CC1(C[N@H+](C)CCC#N)CC1 ZINC000440798718 387704892 /nfs/dbraw/zinc/70/48/92/387704892.db2.gz QGBMPBVZPWWJGI-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO COC(=O)CC1(C[N@@H+](C)CCC#N)CC1 ZINC000440798718 387704896 /nfs/dbraw/zinc/70/48/96/387704896.db2.gz QGBMPBVZPWWJGI-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)C[N@H+](CC)Cc1cccc(C#N)c1 ZINC000049948077 387803958 /nfs/dbraw/zinc/80/39/58/387803958.db2.gz HJISZYUEBZUVJC-UHFFFAOYSA-N 1 2 246.310 1.943 20 30 BDEDLO CCOC(=O)C[N@@H+](CC)Cc1cccc(C#N)c1 ZINC000049948077 387803961 /nfs/dbraw/zinc/80/39/61/387803961.db2.gz HJISZYUEBZUVJC-UHFFFAOYSA-N 1 2 246.310 1.943 20 30 BDEDLO C[N@@H+](Cc1cc[nH]n1)Cc1cc(C#N)cs1 ZINC000353541835 387808080 /nfs/dbraw/zinc/80/80/80/387808080.db2.gz IZJIKRRRSJGMRD-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO C[N@H+](Cc1cc[nH]n1)Cc1cc(C#N)cs1 ZINC000353541835 387808085 /nfs/dbraw/zinc/80/80/85/387808085.db2.gz IZJIKRRRSJGMRD-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO N#CCCCC[N@@H+](CCO)CC(F)F ZINC000194836185 387810690 /nfs/dbraw/zinc/81/06/90/387810690.db2.gz IRQIOVDJIKTCGA-UHFFFAOYSA-N 1 2 206.236 1.240 20 30 BDEDLO N#CCCCC[N@H+](CCO)CC(F)F ZINC000194836185 387810692 /nfs/dbraw/zinc/81/06/92/387810692.db2.gz IRQIOVDJIKTCGA-UHFFFAOYSA-N 1 2 206.236 1.240 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000425279311 387834213 /nfs/dbraw/zinc/83/42/13/387834213.db2.gz IJUAKKVUFNTZIA-QWRGUYRKSA-N 1 2 219.288 1.210 20 30 BDEDLO N#CCCCC(=O)NCCCCn1cc[nH+]c1 ZINC000582579958 387851427 /nfs/dbraw/zinc/85/14/27/387851427.db2.gz NWMDIWNQXFLITO-UHFFFAOYSA-N 1 2 234.303 1.473 20 30 BDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCCC#N ZINC000433165650 387875453 /nfs/dbraw/zinc/87/54/53/387875453.db2.gz CPADBSKYACKLIW-YGRLFVJLSA-N 1 2 214.334 1.133 20 30 BDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCCC#N ZINC000433165650 387875455 /nfs/dbraw/zinc/87/54/55/387875455.db2.gz CPADBSKYACKLIW-YGRLFVJLSA-N 1 2 214.334 1.133 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000448712579 387912403 /nfs/dbraw/zinc/91/24/03/387912403.db2.gz ZGYSYIYEUFSVLB-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO CCOC(=O)[C@@H](CC)[NH+]1CCC(C#N)CC1 ZINC000084103404 388071593 /nfs/dbraw/zinc/07/15/93/388071593.db2.gz VDTMKARTXRMGBE-LLVKDONJSA-N 1 2 224.304 1.564 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccc(C#N)cc1 ZINC000085167731 388084406 /nfs/dbraw/zinc/08/44/06/388084406.db2.gz SWPDEQKVILHTFY-UHFFFAOYSA-N 1 2 212.256 1.904 20 30 BDEDLO C#CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117744778 388091466 /nfs/dbraw/zinc/09/14/66/388091466.db2.gz MKEIMOFHRUXMBO-UHFFFAOYSA-N 1 2 225.251 1.235 20 30 BDEDLO CC(C)n1cc[nH+]c1CN1CCO[C@H](C#N)C1 ZINC000170959067 388115881 /nfs/dbraw/zinc/11/58/81/388115881.db2.gz LPDGIMGODGUTCU-LLVKDONJSA-N 1 2 234.303 1.188 20 30 BDEDLO C=C(C)CCNC(=O)NCc1[nH+]ccn1C ZINC000454520839 388121706 /nfs/dbraw/zinc/12/17/06/388121706.db2.gz DLAKHNUYRIPXND-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454674485 388129277 /nfs/dbraw/zinc/12/92/77/388129277.db2.gz ODEBXBKHFCPTSP-AEJSXWLSSA-N 1 2 234.303 1.763 20 30 BDEDLO C=CCC[C@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000455039043 388146339 /nfs/dbraw/zinc/14/63/39/388146339.db2.gz UPPDQKZQACAMDD-LLVKDONJSA-N 1 2 249.314 1.261 20 30 BDEDLO C#CC[N@@H+](CC)Cc1ncc(COC)s1 ZINC000490923932 388260555 /nfs/dbraw/zinc/26/05/55/388260555.db2.gz NFTQVNZNOHHMII-UHFFFAOYSA-N 1 2 224.329 1.745 20 30 BDEDLO C#CC[N@H+](CC)Cc1ncc(COC)s1 ZINC000490923932 388260556 /nfs/dbraw/zinc/26/05/56/388260556.db2.gz NFTQVNZNOHHMII-UHFFFAOYSA-N 1 2 224.329 1.745 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H]1CCOC1)C(=O)OCC ZINC000449658028 388249869 /nfs/dbraw/zinc/24/98/69/388249869.db2.gz RWJWHGQYHFQYOR-QWRGUYRKSA-N 1 2 227.304 1.263 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC000490740957 388251777 /nfs/dbraw/zinc/25/17/77/388251777.db2.gz PDOIQEPGCOCLAT-UHFFFAOYSA-N 1 2 231.255 1.785 20 30 BDEDLO C#CC[N@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC000490740957 388251778 /nfs/dbraw/zinc/25/17/78/388251778.db2.gz PDOIQEPGCOCLAT-UHFFFAOYSA-N 1 2 231.255 1.785 20 30 BDEDLO C=CCn1cccc1C(=O)Nc1cc[nH+]cc1O ZINC000488852242 388197792 /nfs/dbraw/zinc/19/77/92/388197792.db2.gz KGLNBWBTBPPGQU-UHFFFAOYSA-N 1 2 243.266 1.449 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccccc1F ZINC000490687413 388247450 /nfs/dbraw/zinc/24/74/50/388247450.db2.gz BLDDOACUBWWEDG-HNNXBMFYSA-N 1 2 245.297 1.818 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccccc1F ZINC000490687413 388247451 /nfs/dbraw/zinc/24/74/51/388247451.db2.gz BLDDOACUBWWEDG-HNNXBMFYSA-N 1 2 245.297 1.818 20 30 BDEDLO CC(C)CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000518986604 256640848 /nfs/dbraw/zinc/64/08/48/256640848.db2.gz SQVUXVRPKLWZHR-ZDUSSCGKSA-N 1 2 239.363 1.773 20 30 BDEDLO C#CC[N@@H+](CCOC)Cc1cncs1 ZINC000491394678 388291827 /nfs/dbraw/zinc/29/18/27/388291827.db2.gz NRUSVLOBBUZYFU-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO C#CC[N@H+](CCOC)Cc1cncs1 ZINC000491394678 388291828 /nfs/dbraw/zinc/29/18/28/388291828.db2.gz NRUSVLOBBUZYFU-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nccc(OC)c1OC ZINC000491428272 388292336 /nfs/dbraw/zinc/29/23/36/388292336.db2.gz OAYZTXNRFBDFEN-SNVBAGLBSA-N 1 2 234.299 1.552 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nccc(OC)c1OC ZINC000491428272 388292339 /nfs/dbraw/zinc/29/23/39/388292339.db2.gz OAYZTXNRFBDFEN-SNVBAGLBSA-N 1 2 234.299 1.552 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCSCCOC ZINC000491404740 388292368 /nfs/dbraw/zinc/29/23/68/388292368.db2.gz DVZZOXGVCRHXAT-LBPRGKRZSA-N 1 2 243.372 1.090 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCSCCOC ZINC000491404740 388292369 /nfs/dbraw/zinc/29/23/69/388292369.db2.gz DVZZOXGVCRHXAT-LBPRGKRZSA-N 1 2 243.372 1.090 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)OCCCC ZINC000491404924 388292371 /nfs/dbraw/zinc/29/23/71/388292371.db2.gz FNPPNRYIPDASPP-MNOVXSKESA-N 1 2 211.305 1.672 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)[C@@H](C)C(=O)OCCCC ZINC000491404924 388292372 /nfs/dbraw/zinc/29/23/72/388292372.db2.gz FNPPNRYIPDASPP-MNOVXSKESA-N 1 2 211.305 1.672 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451795317 388296820 /nfs/dbraw/zinc/29/68/20/388296820.db2.gz ILOZUWXWJRMMAK-JTQLQIEISA-N 1 2 244.285 1.246 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451795317 388296822 /nfs/dbraw/zinc/29/68/22/388296822.db2.gz ILOZUWXWJRMMAK-JTQLQIEISA-N 1 2 244.285 1.246 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000491618561 388305180 /nfs/dbraw/zinc/30/51/80/388305180.db2.gz CIFQCSSGMNWWHY-UHFFFAOYSA-N 1 2 246.358 1.926 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000491618561 388305181 /nfs/dbraw/zinc/30/51/81/388305181.db2.gz CIFQCSSGMNWWHY-UHFFFAOYSA-N 1 2 246.358 1.926 20 30 BDEDLO C#CC[N@@H+](C)Cc1cncn1Cc1ccccc1 ZINC000491634993 388307109 /nfs/dbraw/zinc/30/71/09/388307109.db2.gz KDOBLSOZZYHJJV-UHFFFAOYSA-N 1 2 239.322 1.996 20 30 BDEDLO C#CC[N@H+](C)Cc1cncn1Cc1ccccc1 ZINC000491634993 388307110 /nfs/dbraw/zinc/30/71/10/388307110.db2.gz KDOBLSOZZYHJJV-UHFFFAOYSA-N 1 2 239.322 1.996 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000491637048 388307311 /nfs/dbraw/zinc/30/73/11/388307311.db2.gz UFKIRCSXHBBCAC-QMMMGPOBSA-N 1 2 248.355 1.861 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000491637048 388307312 /nfs/dbraw/zinc/30/73/12/388307312.db2.gz UFKIRCSXHBBCAC-QMMMGPOBSA-N 1 2 248.355 1.861 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC2(CCCC2)CC1=O ZINC000491663718 388309146 /nfs/dbraw/zinc/30/91/46/388309146.db2.gz SLYKGJKFDRIPAV-GFCCVEGCSA-N 1 2 234.343 1.690 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC2(CCCC2)CC1=O ZINC000491663718 388309147 /nfs/dbraw/zinc/30/91/47/388309147.db2.gz SLYKGJKFDRIPAV-GFCCVEGCSA-N 1 2 234.343 1.690 20 30 BDEDLO CCCN(CC#N)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492315343 388341049 /nfs/dbraw/zinc/34/10/49/388341049.db2.gz AXKSTIVZNCCNLE-WAYWQWQTSA-N 1 2 246.314 1.678 20 30 BDEDLO CCn1cc[nH+]c1C=CC(=O)NC1=NO[C@H](C)C1 ZINC000492333274 388341753 /nfs/dbraw/zinc/34/17/53/388341753.db2.gz VZIHCIRPLNXATF-XNPJLODASA-N 1 2 248.286 1.155 20 30 BDEDLO C#C[C@@H](CCC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000233295734 388345355 /nfs/dbraw/zinc/34/53/55/388345355.db2.gz PKVANGMGCMZAEG-QWRGUYRKSA-N 1 2 209.289 1.330 20 30 BDEDLO COc1ccc(CNc2c[nH]c[nH+]2)cc1C#N ZINC000556271262 388353699 /nfs/dbraw/zinc/35/36/99/388353699.db2.gz RZRVZVDNTYDSTA-UHFFFAOYSA-N 1 2 228.255 1.902 20 30 BDEDLO C#CCCCCNc1nc[nH+]c(N)c1Cl ZINC000236360950 388379604 /nfs/dbraw/zinc/37/96/04/388379604.db2.gz UYFODOLWMRUZCP-UHFFFAOYSA-N 1 2 224.695 1.928 20 30 BDEDLO C#CCCCCNc1[nH+]cnc(N)c1Cl ZINC000236360950 388379606 /nfs/dbraw/zinc/37/96/06/388379606.db2.gz UYFODOLWMRUZCP-UHFFFAOYSA-N 1 2 224.695 1.928 20 30 BDEDLO CCc1cnc(C[NH+]2CCC(C#N)CC2)o1 ZINC000524750382 388406532 /nfs/dbraw/zinc/40/65/32/388406532.db2.gz CSPKPEODQBXBNV-UHFFFAOYSA-N 1 2 219.288 1.973 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649226275 388462690 /nfs/dbraw/zinc/46/26/90/388462690.db2.gz KGNQNEQWMHBFEV-NSHDSACASA-N 1 2 247.342 1.774 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000547971121 388499495 /nfs/dbraw/zinc/49/94/95/388499495.db2.gz UHRVXWYODJODRE-UHFFFAOYSA-N 1 2 220.316 1.942 20 30 BDEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000547971121 388499497 /nfs/dbraw/zinc/49/94/97/388499497.db2.gz UHRVXWYODJODRE-UHFFFAOYSA-N 1 2 220.316 1.942 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]CC1(C#N)CCC1 ZINC000516965887 388528425 /nfs/dbraw/zinc/52/84/25/388528425.db2.gz PTJOBUDFSQOWPP-NSHDSACASA-N 1 2 216.288 1.713 20 30 BDEDLO N#CC1(C[N@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000549078767 388572832 /nfs/dbraw/zinc/57/28/32/388572832.db2.gz HMTPPLYUFACZBS-QMMMGPOBSA-N 1 2 216.231 1.604 20 30 BDEDLO N#CC1(C[N@@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000549078767 388572834 /nfs/dbraw/zinc/57/28/34/388572834.db2.gz HMTPPLYUFACZBS-QMMMGPOBSA-N 1 2 216.231 1.604 20 30 BDEDLO C#CC[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185285895 388585558 /nfs/dbraw/zinc/58/55/58/388585558.db2.gz ATOGKAAHUXNTIP-CQSZACIVSA-N 1 2 213.346 1.243 20 30 BDEDLO C#CC[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185285895 388585560 /nfs/dbraw/zinc/58/55/60/388585560.db2.gz ATOGKAAHUXNTIP-CQSZACIVSA-N 1 2 213.346 1.243 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)CCCCC ZINC000192221904 388677057 /nfs/dbraw/zinc/67/70/57/388677057.db2.gz WDPWUIIIWZZVON-LBPRGKRZSA-N 1 2 224.348 1.636 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)CCCCC ZINC000192221904 388677059 /nfs/dbraw/zinc/67/70/59/388677059.db2.gz WDPWUIIIWZZVON-LBPRGKRZSA-N 1 2 224.348 1.636 20 30 BDEDLO C[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000078601732 388682726 /nfs/dbraw/zinc/68/27/26/388682726.db2.gz QNWABEOXXGLNMJ-UHFFFAOYSA-N 1 2 235.718 1.963 20 30 BDEDLO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)n(C)n1 ZINC000551373704 388627458 /nfs/dbraw/zinc/62/74/58/388627458.db2.gz VTGADKZOBXYKNS-NSHDSACASA-N 1 2 231.303 1.262 20 30 BDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000403991388 388631898 /nfs/dbraw/zinc/63/18/98/388631898.db2.gz DUAHFNSKEBQDGD-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000403991388 388631901 /nfs/dbraw/zinc/63/19/01/388631901.db2.gz DUAHFNSKEBQDGD-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO C#CCN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000191142831 388660625 /nfs/dbraw/zinc/66/06/25/388660625.db2.gz ZWUJWUGQXDHBRN-UHFFFAOYSA-N 1 2 239.278 1.578 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccon1 ZINC000309765656 388664546 /nfs/dbraw/zinc/66/45/46/388664546.db2.gz JMNRDUSZABBISC-MRVPVSSYSA-N 1 2 217.228 1.990 20 30 BDEDLO N#Cc1ccc(N2CC(n3cc[nH+]c3)C2)nc1 ZINC000532343579 388721863 /nfs/dbraw/zinc/72/18/63/388721863.db2.gz RDXPKMWTTYVXHE-UHFFFAOYSA-N 1 2 225.255 1.211 20 30 BDEDLO COc1cc[nH+]cc1CNc1cnc(C#N)cn1 ZINC000431489875 388731393 /nfs/dbraw/zinc/73/13/93/388731393.db2.gz WJOZKHRXZZOLOR-UHFFFAOYSA-N 1 2 241.254 1.364 20 30 BDEDLO CCCC[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565050637 388910635 /nfs/dbraw/zinc/91/06/35/388910635.db2.gz HLZRYKJMFXKOON-YPMHNXCESA-N 1 2 239.363 1.773 20 30 BDEDLO C=CCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565314466 388936949 /nfs/dbraw/zinc/93/69/49/388936949.db2.gz MZUJAIGOHODBOC-NSHDSACASA-N 1 2 246.314 1.517 20 30 BDEDLO C=CCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565314466 388936952 /nfs/dbraw/zinc/93/69/52/388936952.db2.gz MZUJAIGOHODBOC-NSHDSACASA-N 1 2 246.314 1.517 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCCC1 ZINC000565809718 388969060 /nfs/dbraw/zinc/96/90/60/388969060.db2.gz IXLHRSUPXCKEDK-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000565483773 388949032 /nfs/dbraw/zinc/94/90/32/388949032.db2.gz OUUILGBNCFFGCH-GHMZBOCLSA-N 1 2 244.360 1.188 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000565483773 388949034 /nfs/dbraw/zinc/94/90/34/388949034.db2.gz OUUILGBNCFFGCH-GHMZBOCLSA-N 1 2 244.360 1.188 20 30 BDEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)ccn2)CCO1 ZINC000565968969 388982167 /nfs/dbraw/zinc/98/21/67/388982167.db2.gz OOUMECFHECSRPK-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)ccn2)CCO1 ZINC000565968969 388982171 /nfs/dbraw/zinc/98/21/71/388982171.db2.gz OOUMECFHECSRPK-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C=C(C)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000334641062 533514752 /nfs/dbraw/zinc/51/47/52/533514752.db2.gz KRYHRGKQMHVFNE-JTQLQIEISA-N 1 2 234.303 1.073 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000362156953 533533242 /nfs/dbraw/zinc/53/32/42/533533242.db2.gz DWMUBRPNDBIETQ-LLVKDONJSA-N 1 2 235.331 1.981 20 30 BDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000331949184 134003033 /nfs/dbraw/zinc/00/30/33/134003033.db2.gz KGQBRITZRBJFNV-NWDGAFQWSA-N 1 2 238.331 1.152 20 30 BDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000331949184 134003034 /nfs/dbraw/zinc/00/30/34/134003034.db2.gz KGQBRITZRBJFNV-NWDGAFQWSA-N 1 2 238.331 1.152 20 30 BDEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC1(C#N)CCC1 ZINC000332026993 134003448 /nfs/dbraw/zinc/00/34/48/134003448.db2.gz XRTZEQLZNWZUQV-CYBMUJFWSA-N 1 2 249.358 1.671 20 30 BDEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC1(C#N)CCC1 ZINC000332026993 134003449 /nfs/dbraw/zinc/00/34/49/134003449.db2.gz XRTZEQLZNWZUQV-CYBMUJFWSA-N 1 2 249.358 1.671 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)c1cscc1C#N ZINC000336114174 134087872 /nfs/dbraw/zinc/08/78/72/134087872.db2.gz MAXMIKYWHQYFEE-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO Cc1cc(NC(=O)c2ccc(C#N)s2)cc[nH+]1 ZINC000336180901 134119494 /nfs/dbraw/zinc/11/94/94/134119494.db2.gz FSNTVGIGHMNICG-UHFFFAOYSA-N 1 2 243.291 1.997 20 30 BDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC1(C#N)CCC1 ZINC000336190938 134123250 /nfs/dbraw/zinc/12/32/50/134123250.db2.gz ZYGGOPYEMKBJSZ-LLVKDONJSA-N 1 2 235.331 1.137 20 30 BDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC1(C#N)CCC1 ZINC000336190938 134123251 /nfs/dbraw/zinc/12/32/51/134123251.db2.gz ZYGGOPYEMKBJSZ-LLVKDONJSA-N 1 2 235.331 1.137 20 30 BDEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000336304995 134142914 /nfs/dbraw/zinc/14/29/14/134142914.db2.gz ZVZXBZXCTJMNAC-NOZJJQNGSA-N 1 2 244.298 1.708 20 30 BDEDLO CC[C@@H]1C[N@H+](CCCC#N)C[C@@H](C)[S@@]1=O ZINC000352878785 134156531 /nfs/dbraw/zinc/15/65/31/134156531.db2.gz USDPNUWVBNLMJV-HFAKWTLXSA-N 1 2 228.361 1.522 20 30 BDEDLO CC[C@@H]1C[N@@H+](CCCC#N)C[C@@H](C)[S@@]1=O ZINC000352878785 134156532 /nfs/dbraw/zinc/15/65/32/134156532.db2.gz USDPNUWVBNLMJV-HFAKWTLXSA-N 1 2 228.361 1.522 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)C#N ZINC000353781056 134164950 /nfs/dbraw/zinc/16/49/50/134164950.db2.gz ONQLVGQNRCDIBG-ZETCQYMHSA-N 1 2 205.217 1.188 20 30 BDEDLO C[N@H+](CCc1cnccn1)C[C@@H](C#N)CCC#N ZINC000357040821 134181628 /nfs/dbraw/zinc/18/16/28/134181628.db2.gz OVHFXUNOZMKBFU-GFCCVEGCSA-N 1 2 243.314 1.394 20 30 BDEDLO C[N@@H+](CCc1cnccn1)C[C@@H](C#N)CCC#N ZINC000357040821 134181629 /nfs/dbraw/zinc/18/16/29/134181629.db2.gz OVHFXUNOZMKBFU-GFCCVEGCSA-N 1 2 243.314 1.394 20 30 BDEDLO C[N@H+](CCc1cnccn1)C[C@H](C#N)CCC#N ZINC000357040822 134181764 /nfs/dbraw/zinc/18/17/64/134181764.db2.gz OVHFXUNOZMKBFU-LBPRGKRZSA-N 1 2 243.314 1.394 20 30 BDEDLO C[N@@H+](CCc1cnccn1)C[C@H](C#N)CCC#N ZINC000357040822 134181765 /nfs/dbraw/zinc/18/17/65/134181765.db2.gz OVHFXUNOZMKBFU-LBPRGKRZSA-N 1 2 243.314 1.394 20 30 BDEDLO C=CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 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/nfs/dbraw/zinc/62/06/00/411620600.db2.gz PFUJWTVIQWHIBY-UHFFFAOYSA-N 1 2 219.288 1.339 20 30 BDEDLO C=CCN(CC=C)C(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661085242 411696894 /nfs/dbraw/zinc/69/68/94/411696894.db2.gz ZEBOILDTBQDSCK-UHFFFAOYSA-N 1 2 248.330 1.042 20 30 BDEDLO C=CCN(CC=C)C(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661085242 411696898 /nfs/dbraw/zinc/69/68/98/411696898.db2.gz ZEBOILDTBQDSCK-UHFFFAOYSA-N 1 2 248.330 1.042 20 30 BDEDLO C=CC[N@H+](Cc1cc(OC)no1)[C@@H](C)COC ZINC000661239218 411739468 /nfs/dbraw/zinc/73/94/68/411739468.db2.gz DDSZTXCOWIFHFH-JTQLQIEISA-N 1 2 240.303 1.706 20 30 BDEDLO C=CC[N@@H+](Cc1cc(OC)no1)[C@@H](C)COC ZINC000661239218 411739471 /nfs/dbraw/zinc/73/94/71/411739471.db2.gz DDSZTXCOWIFHFH-JTQLQIEISA-N 1 2 240.303 1.706 20 30 BDEDLO C=CC[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661380433 411762046 /nfs/dbraw/zinc/76/20/46/411762046.db2.gz HAFBLPYKXPNTLL-VIFPVBQESA-N 1 2 222.292 1.298 20 30 BDEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245463 412041569 /nfs/dbraw/zinc/04/15/69/412041569.db2.gz QTWDOEBAMMDYPM-UHFFFAOYSA-N 1 2 234.347 1.967 20 30 BDEDLO C=C(C)C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245463 412041571 /nfs/dbraw/zinc/04/15/71/412041571.db2.gz QTWDOEBAMMDYPM-UHFFFAOYSA-N 1 2 234.347 1.967 20 30 BDEDLO C[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000177392117 173070777 /nfs/dbraw/zinc/07/07/77/173070777.db2.gz OGXPFYMDVWPWNJ-UHFFFAOYSA-N 1 2 235.312 1.007 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H]1CCCO1 ZINC000070845914 174290074 /nfs/dbraw/zinc/29/00/74/174290074.db2.gz SWFJNRCALNNSKI-LLVKDONJSA-N 1 2 212.293 1.027 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H]1CCCO1 ZINC000070845914 174290075 /nfs/dbraw/zinc/29/00/75/174290075.db2.gz SWFJNRCALNNSKI-LLVKDONJSA-N 1 2 212.293 1.027 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)C(C)(C)C#N ZINC000294693110 175370580 /nfs/dbraw/zinc/37/05/80/175370580.db2.gz URJBNAGOZSHEHY-UHFFFAOYSA-N 1 2 233.271 1.256 20 30 BDEDLO COc1cc[nH+]cc1Cn1ccnc1C#N ZINC000336648510 175373517 /nfs/dbraw/zinc/37/35/17/175373517.db2.gz GEUJMPAKDWPBBL-UHFFFAOYSA-N 1 2 214.228 1.207 20 30 BDEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000034673967 177253412 /nfs/dbraw/zinc/25/34/12/177253412.db2.gz MLMWKQJNIACGHA-LBPRGKRZSA-N 1 2 246.310 1.658 20 30 BDEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000034673967 177253414 /nfs/dbraw/zinc/25/34/14/177253414.db2.gz MLMWKQJNIACGHA-LBPRGKRZSA-N 1 2 246.310 1.658 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCC1=O ZINC000168867353 177263437 /nfs/dbraw/zinc/26/34/37/177263437.db2.gz PNVFVIVGIJHXBC-NSHDSACASA-N 1 2 228.295 1.969 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCC1=O ZINC000168867353 177263439 /nfs/dbraw/zinc/26/34/39/177263439.db2.gz PNVFVIVGIJHXBC-NSHDSACASA-N 1 2 228.295 1.969 20 30 BDEDLO N#C[C@H]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493184811 226147495 /nfs/dbraw/zinc/14/74/95/226147495.db2.gz IBGHLDYGNCMSSU-RWCMCFKCSA-N 1 2 230.271 1.231 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790663 226289197 /nfs/dbraw/zinc/28/91/97/226289197.db2.gz AUHQXAMXQYQLBS-KOLCDFICSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790663 226289198 /nfs/dbraw/zinc/28/91/98/226289198.db2.gz AUHQXAMXQYQLBS-KOLCDFICSA-N 1 2 237.303 1.061 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668854983 487668145 /nfs/dbraw/zinc/66/81/45/487668145.db2.gz RNMCRBKMJCYQQC-GMTAPVOTSA-N 1 2 233.315 1.604 20 30 BDEDLO C=CC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671711447 487701789 /nfs/dbraw/zinc/70/17/89/487701789.db2.gz BUCOMZCBDTYBHZ-JGVFFNPUSA-N 1 2 209.211 1.824 20 30 BDEDLO C=CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671711447 487701791 /nfs/dbraw/zinc/70/17/91/487701791.db2.gz BUCOMZCBDTYBHZ-JGVFFNPUSA-N 1 2 209.211 1.824 20 30 BDEDLO Cc1cc(NC[C@@H]2CCC[C@H]2O)c(C#N)c[nH+]1 ZINC000398966406 267299807 /nfs/dbraw/zinc/29/98/07/267299807.db2.gz RLXOXHQIMBOTNA-GXFFZTMASA-N 1 2 231.299 1.257 20 30 BDEDLO Cc1cc(NC[C@H]2CCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000398966408 267300431 /nfs/dbraw/zinc/30/04/31/267300431.db2.gz RLXOXHQIMBOTNA-MFKMUULPSA-N 1 2 231.299 1.257 20 30 BDEDLO C=CCN(c1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665710191 487737335 /nfs/dbraw/zinc/73/73/35/487737335.db2.gz HUTARWQMNASZLG-UHFFFAOYSA-N 1 2 232.287 1.436 20 30 BDEDLO C=CCN(c1[nH+]cnc2c1OCCN2)C1CC1 ZINC000665710191 487737336 /nfs/dbraw/zinc/73/73/36/487737336.db2.gz HUTARWQMNASZLG-UHFFFAOYSA-N 1 2 232.287 1.436 20 30 BDEDLO C=C(CC)CNc1nc[nH+]c2c1OCCN2 ZINC000665722572 487740502 /nfs/dbraw/zinc/74/05/02/487740502.db2.gz DACHDPPVESZXCV-UHFFFAOYSA-N 1 2 220.276 1.659 20 30 BDEDLO C=C(CC)CNc1[nH+]cnc2c1OCCN2 ZINC000665722572 487740503 /nfs/dbraw/zinc/74/05/03/487740503.db2.gz DACHDPPVESZXCV-UHFFFAOYSA-N 1 2 220.276 1.659 20 30 BDEDLO C=C(Br)C[NH2+]Cc1cnn(CC)n1 ZINC000838936292 585081674 /nfs/dbraw/zinc/08/16/74/585081674.db2.gz CICVJVHHUFPUGI-UHFFFAOYSA-N 1 2 245.124 1.296 20 30 BDEDLO Cc1ccnc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000591767850 487798703 /nfs/dbraw/zinc/79/87/03/487798703.db2.gz SNWICHVMVTZAKQ-LBPRGKRZSA-N 1 2 228.299 1.923 20 30 BDEDLO C=CCCNC(=O)Nc1cc[nH+]cc1C ZINC000666493611 487820772 /nfs/dbraw/zinc/82/07/72/487820772.db2.gz JXGUZWBITWLNQZ-UHFFFAOYSA-N 1 2 205.261 1.510 20 30 BDEDLO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCOC1 ZINC000335829731 487837974 /nfs/dbraw/zinc/83/79/74/487837974.db2.gz RTDZGBLWWHOUPQ-NSHDSACASA-N 1 2 234.274 1.918 20 30 BDEDLO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCOC1 ZINC000335829731 487837980 /nfs/dbraw/zinc/83/79/80/487837980.db2.gz RTDZGBLWWHOUPQ-NSHDSACASA-N 1 2 234.274 1.918 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000681696586 487841315 /nfs/dbraw/zinc/84/13/15/487841315.db2.gz HPKZURLGKYNCNL-UHFFFAOYSA-N 1 2 230.271 1.749 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000681696586 487841322 /nfs/dbraw/zinc/84/13/22/487841322.db2.gz HPKZURLGKYNCNL-UHFFFAOYSA-N 1 2 230.271 1.749 20 30 BDEDLO C=CC[C@@H]([NH2+]CCSC(C)C)C(=O)OC ZINC000905767876 637922173 /nfs/dbraw/zinc/92/21/73/637922173.db2.gz PEDINMXRWLGIPU-SNVBAGLBSA-N 1 2 231.361 1.835 20 30 BDEDLO CCc1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595609423 487872432 /nfs/dbraw/zinc/87/24/32/487872432.db2.gz JOYWIOXMIATNEV-JTQLQIEISA-N 1 2 234.303 1.758 20 30 BDEDLO CCc1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595609423 487872438 /nfs/dbraw/zinc/87/24/38/487872438.db2.gz JOYWIOXMIATNEV-JTQLQIEISA-N 1 2 234.303 1.758 20 30 BDEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000569658650 323035745 /nfs/dbraw/zinc/03/57/45/323035745.db2.gz ZUZQGQSSVKKWGT-UHFFFAOYSA-N 1 2 248.267 1.082 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(C#N)CCC1 ZINC000570341064 323056970 /nfs/dbraw/zinc/05/69/70/323056970.db2.gz ASDWVKKLKMHRLU-JTQLQIEISA-N 1 2 246.314 1.493 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(C#N)CCC1 ZINC000570341064 323056971 /nfs/dbraw/zinc/05/69/71/323056971.db2.gz ASDWVKKLKMHRLU-JTQLQIEISA-N 1 2 246.314 1.493 20 30 BDEDLO CC[N@H+](Cc1cn(C)nn1)[C@@H](C)CCC#N ZINC000570847522 323072601 /nfs/dbraw/zinc/07/26/01/323072601.db2.gz HVAXBJWXUNNTCT-JTQLQIEISA-N 1 2 221.308 1.329 20 30 BDEDLO CC[N@@H+](Cc1cn(C)nn1)[C@@H](C)CCC#N ZINC000570847522 323072602 /nfs/dbraw/zinc/07/26/02/323072602.db2.gz HVAXBJWXUNNTCT-JTQLQIEISA-N 1 2 221.308 1.329 20 30 BDEDLO CC1(C)C[NH+](CC(=O)N(CC#N)C2CCCC2)C1 ZINC000571578940 323148300 /nfs/dbraw/zinc/14/83/00/323148300.db2.gz CXZCIHQNHDWIRB-UHFFFAOYSA-N 1 2 249.358 1.623 20 30 BDEDLO CC(C)[N@H+](CCC#N)Cc1cnc2cnccn12 ZINC000535077447 323165712 /nfs/dbraw/zinc/16/57/12/323165712.db2.gz LELGIDSLCSFDMJ-UHFFFAOYSA-N 1 2 243.314 1.853 20 30 BDEDLO CC(C)[N@@H+](CCC#N)Cc1cnc2cnccn12 ZINC000535077447 323165713 /nfs/dbraw/zinc/16/57/13/323165713.db2.gz LELGIDSLCSFDMJ-UHFFFAOYSA-N 1 2 243.314 1.853 20 30 BDEDLO Cc1cc(NC(=O)N(C)C[C@H](C)C#N)c(C)c[nH+]1 ZINC000535772390 323190858 /nfs/dbraw/zinc/19/08/58/323190858.db2.gz CSUVYDKZHFYVHI-SECBINFHSA-N 1 2 246.314 1.744 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](CCC#N)C(C)C ZINC000536638952 323199255 /nfs/dbraw/zinc/19/92/55/323199255.db2.gz ZBMILUDEYLZIIL-UHFFFAOYSA-N 1 2 220.320 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](CCC#N)C(C)C ZINC000536638952 323199256 /nfs/dbraw/zinc/19/92/56/323199256.db2.gz ZBMILUDEYLZIIL-UHFFFAOYSA-N 1 2 220.320 1.853 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC000121558530 324017485 /nfs/dbraw/zinc/01/74/85/324017485.db2.gz HXZWHVOAMUKTIX-UHFFFAOYSA-N 1 2 236.319 1.093 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC000121558530 324017486 /nfs/dbraw/zinc/01/74/86/324017486.db2.gz HXZWHVOAMUKTIX-UHFFFAOYSA-N 1 2 236.319 1.093 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC(C)(C)C#N ZINC000492453968 324163761 /nfs/dbraw/zinc/16/37/61/324163761.db2.gz IAGGMGRWBBBABI-AATRIKPKSA-N 1 2 232.287 1.335 20 30 BDEDLO CCC(C#N)(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000529516620 324321165 /nfs/dbraw/zinc/32/11/65/324321165.db2.gz GKPHQVQOUXFKPB-UHFFFAOYSA-N 1 2 234.303 1.698 20 30 BDEDLO CCC(C#N)(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000529516620 324321167 /nfs/dbraw/zinc/32/11/67/324321167.db2.gz GKPHQVQOUXFKPB-UHFFFAOYSA-N 1 2 234.303 1.698 20 30 BDEDLO CCn1cc[nH+]c1CN(C)[C@@H](C)CC#N ZINC000129697609 324976341 /nfs/dbraw/zinc/97/63/41/324976341.db2.gz URCWSVGZRSLVCL-JTQLQIEISA-N 1 2 206.293 1.637 20 30 BDEDLO N#CCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000082275293 325535249 /nfs/dbraw/zinc/53/52/49/325535249.db2.gz CODNFVJPOISLEC-UHFFFAOYSA-N 1 2 226.239 1.929 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000086573708 325617320 /nfs/dbraw/zinc/61/73/20/325617320.db2.gz INGLCEVVEXTKIU-SSDOTTSWSA-N 1 2 223.301 1.096 20 30 BDEDLO C=CCCCCNC(=O)Cn1cc[nH+]c1 ZINC000564649799 325800978 /nfs/dbraw/zinc/80/09/78/325800978.db2.gz BAKXMDCWYHJSHT-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565050836 325851846 /nfs/dbraw/zinc/85/18/46/325851846.db2.gz HYDAGMDODQFWAV-AAEUAGOBSA-N 1 2 237.347 1.549 20 30 BDEDLO C=C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682492986 487970927 /nfs/dbraw/zinc/97/09/27/487970927.db2.gz IVKHCPAXFNJSGH-GFCCVEGCSA-N 1 2 245.326 1.624 20 30 BDEDLO CCn1ccc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000566119891 325998858 /nfs/dbraw/zinc/99/88/58/325998858.db2.gz CXDLCIHXQMBQRN-LLVKDONJSA-N 1 2 231.303 1.436 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC#N ZINC000566452381 326050037 /nfs/dbraw/zinc/05/00/37/326050037.db2.gz ZKHJZWJFDJZDIO-SECBINFHSA-N 1 2 220.276 1.008 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC#N ZINC000566452381 326050039 /nfs/dbraw/zinc/05/00/39/326050039.db2.gz ZKHJZWJFDJZDIO-SECBINFHSA-N 1 2 220.276 1.008 20 30 BDEDLO COc1cc(C)nc(C[NH2+]C[C@H](C)C#N)c1 ZINC000309867790 326173218 /nfs/dbraw/zinc/17/32/18/326173218.db2.gz PIMJXOMAGONQJR-SECBINFHSA-N 1 2 219.288 1.648 20 30 BDEDLO COc1cc(C)[nH+]c(CNC[C@H](C)C#N)c1 ZINC000309867790 326173219 /nfs/dbraw/zinc/17/32/19/326173219.db2.gz PIMJXOMAGONQJR-SECBINFHSA-N 1 2 219.288 1.648 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)c2cscc2C#N)C1 ZINC000567446420 326193978 /nfs/dbraw/zinc/19/39/78/326193978.db2.gz JIKSYZRCQNHKLN-UHFFFAOYSA-N 1 2 249.339 1.442 20 30 BDEDLO N#CC1(C[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000567825800 326264452 /nfs/dbraw/zinc/26/44/52/326264452.db2.gz HNNALGMQWYRAFB-UHFFFAOYSA-N 1 2 244.294 1.851 20 30 BDEDLO CC[C@H](C)CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995876 326294070 /nfs/dbraw/zinc/29/40/70/326294070.db2.gz XTRDTQURKCVNIA-WCQYABFASA-N 1 2 239.363 1.773 20 30 BDEDLO C=C(C)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545132 487983947 /nfs/dbraw/zinc/98/39/47/487983947.db2.gz AMQSFKWGKIHDRM-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=C(C)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545132 487983951 /nfs/dbraw/zinc/98/39/51/487983951.db2.gz AMQSFKWGKIHDRM-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000192224349 487991899 /nfs/dbraw/zinc/99/18/99/487991899.db2.gz JAEBTXYAYBFQQH-RYUDHWBXSA-N 1 2 222.332 1.341 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000192224349 487991903 /nfs/dbraw/zinc/99/19/03/487991903.db2.gz JAEBTXYAYBFQQH-RYUDHWBXSA-N 1 2 222.332 1.341 20 30 BDEDLO CCC#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477639 488047360 /nfs/dbraw/zinc/04/73/60/488047360.db2.gz PJVFXTZKQPBQEE-SNVBAGLBSA-N 1 2 249.314 1.655 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477639 488047363 /nfs/dbraw/zinc/04/73/63/488047363.db2.gz PJVFXTZKQPBQEE-SNVBAGLBSA-N 1 2 249.314 1.655 20 30 BDEDLO CCNC(=O)C[N@H+](C)CC#Cc1ccccc1 ZINC000683005254 488085849 /nfs/dbraw/zinc/08/58/49/488085849.db2.gz PYEGRUWBJMWQHS-UHFFFAOYSA-N 1 2 230.311 1.106 20 30 BDEDLO CCNC(=O)C[N@@H+](C)CC#Cc1ccccc1 ZINC000683005254 488085854 /nfs/dbraw/zinc/08/58/54/488085854.db2.gz PYEGRUWBJMWQHS-UHFFFAOYSA-N 1 2 230.311 1.106 20 30 BDEDLO COCC#CCN1CC[NH+](Cc2ccco2)CC1 ZINC000677817102 488129824 /nfs/dbraw/zinc/12/98/24/488129824.db2.gz HOMQXNXURSUABH-UHFFFAOYSA-N 1 2 248.326 1.047 20 30 BDEDLO C=CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000680115317 487538381 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240.347 1.180 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C#N)CC1 ZINC001172800413 974954188 /nfs/dbraw/zinc/95/41/88/974954188.db2.gz RXZIFFDHAHRXRY-HBNTYKKESA-N 1 2 224.304 1.610 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493319983 534635797 /nfs/dbraw/zinc/63/57/97/534635797.db2.gz LQDGSHTWCKTTAV-SNAWJCMRSA-N 1 2 244.298 1.575 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCCc1ccc(C)cc1 ZINC000123326882 582849304 /nfs/dbraw/zinc/84/93/04/582849304.db2.gz DCWWKNSHRVWFFN-NSHDSACASA-N 1 2 236.315 1.861 20 30 BDEDLO C=CCCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368209186 534729956 /nfs/dbraw/zinc/72/99/56/534729956.db2.gz PWFJRMUXSOADTJ-JTQLQIEISA-N 1 2 248.330 1.532 20 30 BDEDLO C=CCCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368209186 534729957 /nfs/dbraw/zinc/72/99/57/534729957.db2.gz PWFJRMUXSOADTJ-JTQLQIEISA-N 1 2 248.330 1.532 20 30 BDEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000367475703 534760587 /nfs/dbraw/zinc/76/05/87/534760587.db2.gz 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/nfs/dbraw/zinc/88/06/69/534880669.db2.gz XDXIGOKYTLBXRY-TUAOUCFPSA-N 1 2 241.331 1.509 20 30 BDEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000491048428 526754511 /nfs/dbraw/zinc/75/45/11/526754511.db2.gz YETBKNHLKOOLHE-BQYQJAHWSA-N 1 2 243.310 1.827 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc([N+](=O)[O-])c1 ZINC000174525399 526846998 /nfs/dbraw/zinc/84/69/98/526846998.db2.gz NVVIOBAIGQTCSV-UHFFFAOYSA-N 1 2 228.251 1.663 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(C2CC2)nc1 ZINC000491639417 526847110 /nfs/dbraw/zinc/84/71/10/526847110.db2.gz WMWAHRNASPEPKU-UHFFFAOYSA-N 1 2 225.295 1.422 20 30 BDEDLO C#CCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491660968 526895920 /nfs/dbraw/zinc/89/59/20/526895920.db2.gz AFQICTCXHFZKDD-UHFFFAOYSA-N 1 2 241.294 1.738 20 30 BDEDLO C=CC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493770601 526951410 /nfs/dbraw/zinc/95/14/10/526951410.db2.gz JZRDKBGGZJIOKU-WAYWQWQTSA-N 1 2 219.288 1.751 20 30 BDEDLO C#C[C@@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000491395184 527216517 /nfs/dbraw/zinc/21/65/17/527216517.db2.gz RCBKODDJJNDAMC-MRVPVSSYSA-N 1 2 214.272 1.724 20 30 BDEDLO C#C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000491505924 527267300 /nfs/dbraw/zinc/26/73/00/527267300.db2.gz NPXYBZHOCQQGRP-VXGBXAGGSA-N 1 2 233.315 1.608 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000491734049 527311511 /nfs/dbraw/zinc/31/15/11/527311511.db2.gz BCOGTPQJUHSCLL-ZIAGYGMSSA-N 1 2 249.354 1.812 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000491734049 527311519 /nfs/dbraw/zinc/31/15/19/527311519.db2.gz BCOGTPQJUHSCLL-ZIAGYGMSSA-N 1 2 249.354 1.812 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000491670188 527332347 /nfs/dbraw/zinc/33/23/47/527332347.db2.gz LSPPNEKJJBGLMJ-QMMMGPOBSA-N 1 2 225.723 1.835 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000491670188 527332350 /nfs/dbraw/zinc/33/23/50/527332350.db2.gz LSPPNEKJJBGLMJ-QMMMGPOBSA-N 1 2 225.723 1.835 20 30 BDEDLO C#C[C@H](CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000491096819 527352532 /nfs/dbraw/zinc/35/25/32/527352532.db2.gz WUDVAGSRYXRVTF-SNVBAGLBSA-N 1 2 217.272 1.345 20 30 BDEDLO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000491505921 527382934 /nfs/dbraw/zinc/38/29/34/527382934.db2.gz NPXYBZHOCQQGRP-NEPJUHHUSA-N 1 2 233.315 1.608 20 30 BDEDLO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC000491505923 527383294 /nfs/dbraw/zinc/38/32/94/527383294.db2.gz NPXYBZHOCQQGRP-RYUDHWBXSA-N 1 2 233.315 1.608 20 30 BDEDLO CCc1c[nH+]ccc1NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000336223782 536086022 /nfs/dbraw/zinc/08/60/22/536086022.db2.gz VTRGACVPQQJVCP-ZANVPECISA-N 1 2 229.283 1.554 20 30 BDEDLO C[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000060196894 536418220 /nfs/dbraw/zinc/41/82/20/536418220.db2.gz JUWNSQSBFKRNKZ-UHFFFAOYSA-N 1 2 237.253 1.588 20 30 BDEDLO COc1ccc(N=NCc2c[nH+]c(C)n2C)nc1 ZINC000853336255 588734652 /nfs/dbraw/zinc/73/46/52/588734652.db2.gz UAJCMFACKWTGTR-UHFFFAOYSA-N 1 2 245.286 1.578 20 30 BDEDLO COc1ccc(NN=Cc2c[nH+]c(C)n2C)nc1 ZINC000853336255 588734653 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583789942 /nfs/dbraw/zinc/78/99/42/583789942.db2.gz CAIOPMAKSYSAPS-UHFFFAOYSA-N 1 2 219.288 1.772 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)CCCC#N)CCN2 ZINC000858001381 588930551 /nfs/dbraw/zinc/93/05/51/588930551.db2.gz XFPMYNXAILCUFW-UHFFFAOYSA-N 1 2 244.298 1.842 20 30 BDEDLO Cc1[nH]c(CNC(=O)CC2(C#N)CC2)[nH+]c1C ZINC000896909231 583852371 /nfs/dbraw/zinc/85/23/71/583852371.db2.gz FDBPIQGAWQMTGM-UHFFFAOYSA-N 1 2 232.287 1.337 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911059 583853079 /nfs/dbraw/zinc/85/30/79/583853079.db2.gz ZDNQWSAKVQMDJI-LBPRGKRZSA-N 1 2 234.303 1.583 20 30 BDEDLO C#CC[N@@H+](Cc1cc(COC)on1)C(C)C ZINC000897171101 583888885 /nfs/dbraw/zinc/88/88/85/583888885.db2.gz QEKFQLXJXWSKFO-UHFFFAOYSA-N 1 2 222.288 1.665 20 30 BDEDLO C#CC[N@H+](Cc1cc(COC)on1)C(C)C ZINC000897171101 583888887 /nfs/dbraw/zinc/88/88/87/583888887.db2.gz QEKFQLXJXWSKFO-UHFFFAOYSA-N 1 2 222.288 1.665 20 30 BDEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)ccn1 ZINC000863127297 583978528 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/nfs/dbraw/zinc/46/08/86/584460886.db2.gz RKKWNOVZNYCBQI-RJRFIUFISA-N 1 2 228.255 1.837 20 30 BDEDLO CCn1ccnc1C(=O)/C=C/c1c[nH+]cn1C ZINC000901556607 584462288 /nfs/dbraw/zinc/46/22/88/584462288.db2.gz HHYLJHXVHRDQNV-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO Cc1cc(C)[nH+]c(Cn2cc(C#N)nn2)c1 ZINC000901546647 584464274 /nfs/dbraw/zinc/46/42/74/584464274.db2.gz FOXXLJLCPKRUJN-UHFFFAOYSA-N 1 2 213.244 1.210 20 30 BDEDLO CCCn1cc(C(=O)/C=C/c2c[nH+]cn2C)nn1 ZINC000901581198 584467229 /nfs/dbraw/zinc/46/72/29/584467229.db2.gz IRCARIBYLCZNAM-SNAWJCMRSA-N 1 2 245.286 1.318 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C(=O)OC ZINC000901585003 584467938 /nfs/dbraw/zinc/46/79/38/584467938.db2.gz CEQNXFQNEBTAGZ-XLPZGREQSA-N 1 2 237.221 1.502 20 30 BDEDLO C=CC[C@H]([NH2+]CCc1cccnc1C)C(=O)OC ZINC000901702152 584483240 /nfs/dbraw/zinc/48/32/40/584483240.db2.gz PXPHVBZGZAQYSI-ZDUSSCGKSA-N 1 2 248.326 1.640 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902227839 584542096 /nfs/dbraw/zinc/54/20/96/584542096.db2.gz CNSYBYHHUGNFMM-VXGBXAGGSA-N 1 2 238.331 1.089 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902227839 584542097 /nfs/dbraw/zinc/54/20/97/584542097.db2.gz CNSYBYHHUGNFMM-VXGBXAGGSA-N 1 2 238.331 1.089 20 30 BDEDLO Cc1cc(C#N)cc(C)c1CO[NH+]=C(N)CO ZINC000902536811 584628302 /nfs/dbraw/zinc/62/83/02/584628302.db2.gz PLFGHXVBCJKTOK-UHFFFAOYSA-N 1 2 233.271 1.166 20 30 BDEDLO N#Cc1c[nH]nc1NCc1[nH+]ccn1C1CC1 ZINC000902557762 584634538 /nfs/dbraw/zinc/63/45/38/584634538.db2.gz IXJCTMUKLFXLJZ-UHFFFAOYSA-N 1 2 228.259 1.425 20 30 BDEDLO C#CCCOC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000859101679 589002105 /nfs/dbraw/zinc/00/21/05/589002105.db2.gz QQEAFHZIEJIYFP-JTQLQIEISA-N 1 2 233.271 1.707 20 30 BDEDLO CC#CCOc1ccc2c(c1)[nH+]cn2C ZINC000902781055 584670199 /nfs/dbraw/zinc/67/01/99/584670199.db2.gz CWJDHMPAALMZKB-UHFFFAOYSA-N 1 2 200.241 1.975 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1nccn1C ZINC000903030441 584718108 /nfs/dbraw/zinc/71/81/08/584718108.db2.gz BJQHHDZEGJVEIV-JTQLQIEISA-N 1 2 218.304 1.765 20 30 BDEDLO C[C@H](NCC1(C#N)CCC1)c1[nH+]ccn1C ZINC000903030441 584718109 /nfs/dbraw/zinc/71/81/09/584718109.db2.gz BJQHHDZEGJVEIV-JTQLQIEISA-N 1 2 218.304 1.765 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000801940234 584720561 /nfs/dbraw/zinc/72/05/61/584720561.db2.gz LADRBNQSDPBZRR-MNOVXSKESA-N 1 2 234.303 1.475 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000801940234 584720562 /nfs/dbraw/zinc/72/05/62/584720562.db2.gz LADRBNQSDPBZRR-MNOVXSKESA-N 1 2 234.303 1.475 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cn(C)nn1 ZINC000903052341 584724168 /nfs/dbraw/zinc/72/41/68/584724168.db2.gz GGGGRZKCIAQEQE-NSHDSACASA-N 1 2 247.346 1.940 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc2n(n1)CCC2 ZINC000903106227 584728425 /nfs/dbraw/zinc/72/84/25/584728425.db2.gz NOHJYTJEVIZHMW-JTQLQIEISA-N 1 2 230.315 1.784 20 30 BDEDLO Clc1cccnc1N=NCc1[nH]cc[nH+]1 ZINC000731151846 584922549 /nfs/dbraw/zinc/92/25/49/584922549.db2.gz PXUWLTMATKAPLT-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2[nH]cc[nH+]2)o1 ZINC000731152177 584922614 /nfs/dbraw/zinc/92/26/14/584922614.db2.gz XTAKEOHTBXUKDW-UHFFFAOYSA-N 1 2 216.204 1.024 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NOC[C@@H]1CCOC1 ZINC000788033607 584923471 /nfs/dbraw/zinc/92/34/71/584923471.db2.gz JUWXXWZRIOVVTM-SECBINFHSA-N 1 2 209.249 1.105 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1cnn(CC)n1 ZINC000838782010 585069780 /nfs/dbraw/zinc/06/97/80/585069780.db2.gz FHCPINWWVJCZFM-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1cnn(CC)n1 ZINC000838782010 585069781 /nfs/dbraw/zinc/06/97/81/585069781.db2.gz FHCPINWWVJCZFM-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO C=C1CC[NH+](Cc2cnn(CC)n2)CC1 ZINC000838820151 585072006 /nfs/dbraw/zinc/07/20/06/585072006.db2.gz ALNQQMAYQJLWKP-UHFFFAOYSA-N 1 2 206.293 1.450 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)N1CCCC1 ZINC000839023877 585088178 /nfs/dbraw/zinc/08/81/78/585088178.db2.gz QDVHAVMWYRLXAV-UHFFFAOYSA-N 1 2 235.331 1.401 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)N1CCCC1 ZINC000839023877 585088179 /nfs/dbraw/zinc/08/81/79/585088179.db2.gz QDVHAVMWYRLXAV-UHFFFAOYSA-N 1 2 235.331 1.401 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000839133370 585094049 /nfs/dbraw/zinc/09/40/49/585094049.db2.gz QGLUHTWIUFOZNQ-UHFFFAOYSA-N 1 2 236.340 1.822 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)C1CCC1)C(=O)OC ZINC000839166816 585095239 /nfs/dbraw/zinc/09/52/39/585095239.db2.gz ARUVHFYPLWPBRK-KOLCDFICSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCc1ccco1)C(=O)OC ZINC000839167220 585095374 /nfs/dbraw/zinc/09/53/74/585095374.db2.gz CYYIXHHAELSGKQ-AAEUAGOBSA-N 1 2 249.310 1.755 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)C(=O)OC ZINC000839168105 585095581 /nfs/dbraw/zinc/09/55/81/585095581.db2.gz JOBMJQJSOWKVDE-DCAQKATOSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCC=C)C(=O)OC ZINC000839167997 585095583 /nfs/dbraw/zinc/09/55/83/585095583.db2.gz HTHOBSJGFPNNOW-QWRGUYRKSA-N 1 2 209.289 1.496 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OC ZINC000839169493 585095917 /nfs/dbraw/zinc/09/59/17/585095917.db2.gz SNMVASWSCWFTON-VXGBXAGGSA-N 1 2 221.300 1.497 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C(=O)OC ZINC000839170349 585096068 /nfs/dbraw/zinc/09/60/68/585096068.db2.gz YXCZGSASQGLGAL-RYUDHWBXSA-N 1 2 225.332 1.823 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](COC)CC(C)C)C(=O)OC ZINC000839170273 585096150 /nfs/dbraw/zinc/09/61/50/585096150.db2.gz YFNNCQNCMCSFCX-RYUDHWBXSA-N 1 2 241.331 1.202 20 30 BDEDLO NC(=[NH+]OC[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000741753064 585117563 /nfs/dbraw/zinc/11/75/63/585117563.db2.gz RQUHZEXLEVYLOH-SECBINFHSA-N 1 2 238.262 1.499 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)c1cccc(C#N)c1 ZINC000753144589 585254316 /nfs/dbraw/zinc/25/43/16/585254316.db2.gz NISCFSNBCRFHEH-UHFFFAOYSA-N 1 2 241.250 1.649 20 30 BDEDLO C#CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000753963439 585273747 /nfs/dbraw/zinc/27/37/47/585273747.db2.gz LXAUHCSUTIRIRH-UHFFFAOYSA-N 1 2 225.251 1.659 20 30 BDEDLO C#CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000754053592 585276713 /nfs/dbraw/zinc/27/67/13/585276713.db2.gz JRPCUPNNBKIJAS-UHFFFAOYSA-N 1 2 239.278 1.396 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1cccc([N+](=O)[O-])c1 ZINC000755481902 585300553 /nfs/dbraw/zinc/30/05/53/585300553.db2.gz RJGMGLFIKAQVBM-UHFFFAOYSA-N 1 2 245.242 1.774 20 30 BDEDLO Cc1cc(N=NCc2c[nH+]cn2C)nc(C)n1 ZINC000755648067 585303268 /nfs/dbraw/zinc/30/32/68/585303268.db2.gz IHAJGNQEERUHFG-UHFFFAOYSA-N 1 2 230.275 1.273 20 30 BDEDLO CC(=NN=Cc1[nH+]c[nH]c1C)c1cnccn1 ZINC000755754684 585305576 /nfs/dbraw/zinc/30/55/76/585305576.db2.gz POEXUCISCMRFOC-UHFFFAOYSA-N 1 2 228.259 1.351 20 30 BDEDLO N#Cc1cccn(C[N@@H+]2CCCSCC2)c1=O ZINC000758196968 585351570 /nfs/dbraw/zinc/35/15/70/585351570.db2.gz NIQGMFWMCJIQEC-UHFFFAOYSA-N 1 2 249.339 1.116 20 30 BDEDLO N#Cc1cccn(C[N@H+]2CCCSCC2)c1=O ZINC000758196968 585351571 /nfs/dbraw/zinc/35/15/71/585351571.db2.gz NIQGMFWMCJIQEC-UHFFFAOYSA-N 1 2 249.339 1.116 20 30 BDEDLO CC1(C)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758223842 585352241 /nfs/dbraw/zinc/35/22/41/585352241.db2.gz IFBBMHJAFYILJJ-UHFFFAOYSA-N 1 2 245.326 1.799 20 30 BDEDLO CC1(C)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758223842 585352242 /nfs/dbraw/zinc/35/22/42/585352242.db2.gz IFBBMHJAFYILJJ-UHFFFAOYSA-N 1 2 245.326 1.799 20 30 BDEDLO C[C@@H]1CSCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758223254 585352293 /nfs/dbraw/zinc/35/22/93/585352293.db2.gz MVBJLQTXBBISAS-SNVBAGLBSA-N 1 2 249.339 1.115 20 30 BDEDLO C[C@@H]1CSCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758223254 585352294 /nfs/dbraw/zinc/35/22/94/585352294.db2.gz MVBJLQTXBBISAS-SNVBAGLBSA-N 1 2 249.339 1.115 20 30 BDEDLO C#CCCCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000758461463 585356183 /nfs/dbraw/zinc/35/61/83/585356183.db2.gz QCGMNAUCPVQFDZ-GFCCVEGCSA-N 1 2 248.330 1.374 20 30 BDEDLO N#Cc1cccc(SCC[NH+]2CCOCC2)c1 ZINC000759048910 585364027 /nfs/dbraw/zinc/36/40/27/585364027.db2.gz QRLCYTLVVFJVCC-UHFFFAOYSA-N 1 2 248.351 1.983 20 30 BDEDLO C[C@H](C(=O)OCCCC#N)[NH+]1CCSCC1 ZINC000759811413 585380708 /nfs/dbraw/zinc/38/07/08/585380708.db2.gz OTCJCAXYKSGCSH-SNVBAGLBSA-N 1 2 242.344 1.271 20 30 BDEDLO Cc1nonc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000809744312 585385150 /nfs/dbraw/zinc/38/51/50/585385150.db2.gz FPSLVISMEYEJLA-UHFFFAOYSA-N 1 2 246.245 1.679 20 30 BDEDLO C#CCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000760233043 585386905 /nfs/dbraw/zinc/38/69/05/585386905.db2.gz DEZSFXGYGOVFJR-UHFFFAOYSA-N 1 2 244.294 1.475 20 30 BDEDLO C#CCC[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000760840974 585398619 /nfs/dbraw/zinc/39/86/19/585398619.db2.gz LPUPHNAYBOGAEJ-SNVBAGLBSA-N 1 2 237.303 1.622 20 30 BDEDLO C#CCC[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000760840974 585398620 /nfs/dbraw/zinc/39/86/20/585398620.db2.gz LPUPHNAYBOGAEJ-SNVBAGLBSA-N 1 2 237.303 1.622 20 30 BDEDLO COCC#CCO[NH+]=C(N)Cc1ccccc1 ZINC000764214371 585461582 /nfs/dbraw/zinc/46/15/82/585461582.db2.gz ZCZGFOPAUSFXDY-UHFFFAOYSA-N 1 2 232.283 1.377 20 30 BDEDLO CC#CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000764416437 585465002 /nfs/dbraw/zinc/46/50/02/585465002.db2.gz JEYCIQUENKOVFP-UHFFFAOYSA-N 1 2 243.241 1.973 20 30 BDEDLO CC(=NN=Cc1ccc[nH+]c1N)c1cnccn1 ZINC000764699536 585471121 /nfs/dbraw/zinc/47/11/21/585471121.db2.gz RXLSNZCWQGYWJC-UHFFFAOYSA-N 1 2 240.270 1.297 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C/C(=C\C)CC)CC1 ZINC000765525398 585489104 /nfs/dbraw/zinc/48/91/04/585489104.db2.gz GMQDBAXHWUWFRG-JBEPJTDQSA-N 1 2 246.354 1.676 20 30 BDEDLO C#CCCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000768534028 585539802 /nfs/dbraw/zinc/53/98/02/585539802.db2.gz OQTGVVBSYYEXOI-UHFFFAOYSA-N 1 2 233.319 1.461 20 30 BDEDLO C#CCCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000768534028 585539803 /nfs/dbraw/zinc/53/98/03/585539803.db2.gz OQTGVVBSYYEXOI-UHFFFAOYSA-N 1 2 233.319 1.461 20 30 BDEDLO CC1(C)CCC[N@H+](CCC2OCCO2)[C@H]1C#N ZINC000769893588 585566324 /nfs/dbraw/zinc/56/63/24/585566324.db2.gz QLZSOKBUKYVMSI-NSHDSACASA-N 1 2 238.331 1.764 20 30 BDEDLO CC1(C)CCC[N@@H+](CCC2OCCO2)[C@H]1C#N ZINC000769893588 585566325 /nfs/dbraw/zinc/56/63/25/585566325.db2.gz QLZSOKBUKYVMSI-NSHDSACASA-N 1 2 238.331 1.764 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(CC)[nH]1)C(C)C ZINC000771758127 585600001 /nfs/dbraw/zinc/60/00/01/585600001.db2.gz ZDJTVXZZZQGUKG-UHFFFAOYSA-N 1 2 208.309 1.764 20 30 BDEDLO C=CC[N@H+](Cc1nnc(CC)[nH]1)C(C)C ZINC000771758127 585600002 /nfs/dbraw/zinc/60/00/02/585600002.db2.gz ZDJTVXZZZQGUKG-UHFFFAOYSA-N 1 2 208.309 1.764 20 30 BDEDLO C[C@@H](CC#N)NN=Cc1cccc2[nH+]ccn21 ZINC000771888290 585603748 /nfs/dbraw/zinc/60/37/48/585603748.db2.gz ZXTFHNITFNOAHW-JTQLQIEISA-N 1 2 227.271 1.560 20 30 BDEDLO C#C[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000772258913 585611306 /nfs/dbraw/zinc/61/13/06/585611306.db2.gz TVWLVONFBWYLEY-VXGBXAGGSA-N 1 2 243.310 1.947 20 30 BDEDLO C=C(C)CCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805470553 585622842 /nfs/dbraw/zinc/62/28/42/585622842.db2.gz YJIXWGVNDVIRAJ-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(C)CCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805470553 585622843 /nfs/dbraw/zinc/62/28/43/585622843.db2.gz YJIXWGVNDVIRAJ-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774154721 585651999 /nfs/dbraw/zinc/65/19/99/585651999.db2.gz BGNVZONBSVQQHU-NXEZZACHSA-N 1 2 210.277 1.316 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000774154721 585652000 /nfs/dbraw/zinc/65/20/00/585652000.db2.gz BGNVZONBSVQQHU-NXEZZACHSA-N 1 2 210.277 1.316 20 30 BDEDLO Oc1ccccc1/C=[NH+]\CCc1cnccn1 ZINC000774542392 585660990 /nfs/dbraw/zinc/66/09/90/585660990.db2.gz PBFXZFWLRNMCRO-ZROIWOOFSA-N 1 2 227.267 1.844 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@H]1CCCO1 ZINC000775808063 585685494 /nfs/dbraw/zinc/68/54/94/585685494.db2.gz XUDLZNMATIUFEM-GRYCIOLGSA-N 1 2 234.299 1.814 20 30 BDEDLO C=CCCOCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777454083 585712517 /nfs/dbraw/zinc/71/25/17/585712517.db2.gz HIQWWFNQVVHFRD-LLVKDONJSA-N 1 2 249.314 1.666 20 30 BDEDLO C=CC[N@@H+](C)CN1CC2(CCCC2)CC1=O ZINC000777541869 585714565 /nfs/dbraw/zinc/71/45/65/585714565.db2.gz ULJQOLQUUARUOR-UHFFFAOYSA-N 1 2 222.332 1.854 20 30 BDEDLO C=CC[N@H+](C)CN1CC2(CCCC2)CC1=O ZINC000777541869 585714566 /nfs/dbraw/zinc/71/45/66/585714566.db2.gz ULJQOLQUUARUOR-UHFFFAOYSA-N 1 2 222.332 1.854 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H](c2cccnc2)CC1=O ZINC000777547505 585714985 /nfs/dbraw/zinc/71/49/85/585714985.db2.gz AUAKDUBCUKLCQC-CYBMUJFWSA-N 1 2 245.326 1.473 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H](c2cccnc2)CC1=O ZINC000777547505 585714986 /nfs/dbraw/zinc/71/49/86/585714986.db2.gz AUAKDUBCUKLCQC-CYBMUJFWSA-N 1 2 245.326 1.473 20 30 BDEDLO COc1ccc(C#N)cc1NCc1[nH]cc[nH+]1 ZINC000779591802 585756650 /nfs/dbraw/zinc/75/66/50/585756650.db2.gz VRSQICRVOMKJCE-UHFFFAOYSA-N 1 2 228.255 1.902 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1ccc(OC)cn1 ZINC000780271848 585776458 /nfs/dbraw/zinc/77/64/58/585776458.db2.gz YIOQRLBRJILSBN-UHFFFAOYSA-N 1 2 245.286 1.753 20 30 BDEDLO CC[C@@H](C#N)OC(=O)c1ccc(C)[nH+]c1NC ZINC000781160433 585791848 /nfs/dbraw/zinc/79/18/48/585791848.db2.gz PMBNRWGJMDUMGF-VIFPVBQESA-N 1 2 233.271 1.891 20 30 BDEDLO CCc1cc(Nc2cnn(CC#N)c2)nc(C)[nH+]1 ZINC000782135931 585808426 /nfs/dbraw/zinc/80/84/26/585808426.db2.gz PBICEWPTUSBKGV-UHFFFAOYSA-N 1 2 242.286 1.811 20 30 BDEDLO CC1CC(C#N)(C(=O)OCCCn2cc[nH+]c2)C1 ZINC000784199141 585852751 /nfs/dbraw/zinc/85/27/51/585852751.db2.gz BFSNNQDNKDMWCU-UHFFFAOYSA-N 1 2 247.298 1.756 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000786889468 585898302 /nfs/dbraw/zinc/89/83/02/585898302.db2.gz HEEBKRAXVAXAIA-GFCCVEGCSA-N 1 2 247.342 1.869 20 30 BDEDLO CC(C)(C#N)CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789627222 585947163 /nfs/dbraw/zinc/94/71/63/585947163.db2.gz MFZZYQSNRINMFB-VIFPVBQESA-N 1 2 225.292 1.604 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c(c1)CCO2 ZINC000790299540 585962697 /nfs/dbraw/zinc/96/26/97/585962697.db2.gz FAZRXVWKPGDQJP-UHFFFAOYSA-N 1 2 242.282 1.801 20 30 BDEDLO Cn1ccc(C=NNc2[nH+]ccn2C)c1 ZINC000790302655 585963112 /nfs/dbraw/zinc/96/31/12/585963112.db2.gz WLOCXTWLSZAZMC-UHFFFAOYSA-N 1 2 203.249 1.205 20 30 BDEDLO COc1ccc(C=NNc2[nH+]ccn2C)cn1 ZINC000790306326 585963357 /nfs/dbraw/zinc/96/33/57/585963357.db2.gz XYKIVYCTZQJVLU-UHFFFAOYSA-N 1 2 231.259 1.270 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792218348 585997903 /nfs/dbraw/zinc/99/79/03/585997903.db2.gz OEKFGXKEFANHCF-QWRGUYRKSA-N 1 2 236.315 1.564 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792218348 585997904 /nfs/dbraw/zinc/99/79/04/585997904.db2.gz OEKFGXKEFANHCF-QWRGUYRKSA-N 1 2 236.315 1.564 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ncccc2[N+](=O)[O-])c1 ZINC000794519605 586041613 /nfs/dbraw/zinc/04/16/13/586041613.db2.gz COAWPFJLYYNFRV-UHFFFAOYSA-N 1 2 246.230 1.169 20 30 BDEDLO COc1cccc(N=NCc2cn(C)c[nH+]2)n1 ZINC000794530926 586042302 /nfs/dbraw/zinc/04/23/02/586042302.db2.gz PUJXUYZPRRHOFP-UHFFFAOYSA-N 1 2 231.259 1.270 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCO[C@H](C)C#N ZINC000794746094 586048184 /nfs/dbraw/zinc/04/81/84/586048184.db2.gz SQRWVDONHBOOCA-LLVKDONJSA-N 1 2 207.277 1.317 20 30 BDEDLO C=CC[N@H+](CCC#N)CCO[C@H](C)C#N ZINC000794746094 586048185 /nfs/dbraw/zinc/04/81/85/586048185.db2.gz SQRWVDONHBOOCA-LLVKDONJSA-N 1 2 207.277 1.317 20 30 BDEDLO COCCN(C)N=CCCc1c[nH+]ccc1C ZINC000794970494 586059395 /nfs/dbraw/zinc/05/93/95/586059395.db2.gz NIALINLHFGUDLS-UHFFFAOYSA-N 1 2 235.331 1.887 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1ncccc1F ZINC000794991287 586062089 /nfs/dbraw/zinc/06/20/89/586062089.db2.gz YPAFKNWEZPXBFS-UHFFFAOYSA-N 1 2 219.223 1.698 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1ncccc1F ZINC000794990300 586062152 /nfs/dbraw/zinc/06/21/52/586062152.db2.gz LBCAWKQGGFOICJ-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO Fc1cccc(N=NCc2c[nH+]c[nH]2)n1 ZINC000795006781 586064597 /nfs/dbraw/zinc/06/45/97/586064597.db2.gz KUOBMWUPFWIYJH-UHFFFAOYSA-N 1 2 205.196 1.390 20 30 BDEDLO Fc1cccc(N=NCc2c[nH]c[nH+]2)n1 ZINC000795006781 586064598 /nfs/dbraw/zinc/06/45/98/586064598.db2.gz KUOBMWUPFWIYJH-UHFFFAOYSA-N 1 2 205.196 1.390 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000796585167 586108030 /nfs/dbraw/zinc/10/80/30/586108030.db2.gz GTTSOSSJQRQORL-VHSXEESVSA-N 1 2 248.273 1.271 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000796585167 586108031 /nfs/dbraw/zinc/10/80/31/586108031.db2.gz GTTSOSSJQRQORL-VHSXEESVSA-N 1 2 248.273 1.271 20 30 BDEDLO Cn1c[nH+]c(/C=C2\Cc3c(cccc3O)C2=O)c1 ZINC000798232248 586141263 /nfs/dbraw/zinc/14/12/63/586141263.db2.gz PELNJPYSJICZJB-WEVVVXLNSA-N 1 2 240.262 1.948 20 30 BDEDLO C#CCC[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000798419161 586143786 /nfs/dbraw/zinc/14/37/86/586143786.db2.gz BOGANTSEIMJGRM-NSHDSACASA-N 1 2 231.299 1.540 20 30 BDEDLO CON(C)C(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000799124866 586160043 /nfs/dbraw/zinc/16/00/43/586160043.db2.gz WHQKSVJUHZXYCA-UHFFFAOYSA-N 1 2 239.319 1.164 20 30 BDEDLO CON(C)C(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000799124866 586160044 /nfs/dbraw/zinc/16/00/44/586160044.db2.gz WHQKSVJUHZXYCA-UHFFFAOYSA-N 1 2 239.319 1.164 20 30 BDEDLO O=C1C=C(N[NH2+]C2CCCC2)[C@@H]2CCCN12 ZINC000799478361 586178284 /nfs/dbraw/zinc/17/82/84/586178284.db2.gz CNGBIYPBSKWNTI-NSHDSACASA-N 1 2 221.304 1.269 20 30 BDEDLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1C#N ZINC000799629327 586186811 /nfs/dbraw/zinc/18/68/11/586186811.db2.gz ULWZKHOBKITPFU-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO CC(=NN[C@@H]1CCCOC1)c1cn(C)c(C)[nH+]1 ZINC000800816131 586232424 /nfs/dbraw/zinc/23/24/24/586232424.db2.gz BINXMATZTGFFGT-LLVKDONJSA-N 1 2 236.319 1.221 20 30 BDEDLO CC#CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000801111402 586242598 /nfs/dbraw/zinc/24/25/98/586242598.db2.gz PTCPNYALAZYWAO-UHFFFAOYSA-N 1 2 248.351 1.416 20 30 BDEDLO CC#CCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562489 586263677 /nfs/dbraw/zinc/26/36/77/586263677.db2.gz ZZMGBDSHKWLXOG-SECBINFHSA-N 1 2 203.232 1.366 20 30 BDEDLO CC#CCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562489 586263679 /nfs/dbraw/zinc/26/36/79/586263679.db2.gz ZZMGBDSHKWLXOG-SECBINFHSA-N 1 2 203.232 1.366 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562201 586262292 /nfs/dbraw/zinc/26/22/92/586262292.db2.gz XFTOEQZSTBNETI-NXEZZACHSA-N 1 2 217.259 1.754 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562201 586262294 /nfs/dbraw/zinc/26/22/94/586262294.db2.gz XFTOEQZSTBNETI-NXEZZACHSA-N 1 2 217.259 1.754 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000801938858 586280589 /nfs/dbraw/zinc/28/05/89/586280589.db2.gz NNHINORAJZXDEZ-VXGBXAGGSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000801938858 586280590 /nfs/dbraw/zinc/28/05/90/586280590.db2.gz NNHINORAJZXDEZ-VXGBXAGGSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000801940233 586280844 /nfs/dbraw/zinc/28/08/44/586280844.db2.gz LADRBNQSDPBZRR-GHMZBOCLSA-N 1 2 234.303 1.475 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000801940233 586280848 /nfs/dbraw/zinc/28/08/48/586280848.db2.gz LADRBNQSDPBZRR-GHMZBOCLSA-N 1 2 234.303 1.475 20 30 BDEDLO C=C(C)C[N@H+](C)CN1C(=O)CC2(CCC2)C1=O ZINC000840042859 586392179 /nfs/dbraw/zinc/39/21/79/586392179.db2.gz QJYKEZALIOSBIS-UHFFFAOYSA-N 1 2 236.315 1.381 20 30 BDEDLO C=C(C)C[N@@H+](C)CN1C(=O)CC2(CCC2)C1=O ZINC000840042859 586392181 /nfs/dbraw/zinc/39/21/81/586392181.db2.gz QJYKEZALIOSBIS-UHFFFAOYSA-N 1 2 236.315 1.381 20 30 BDEDLO C#C[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000806289261 586408616 /nfs/dbraw/zinc/40/86/16/586408616.db2.gz IVWOPZIZATXOPE-VIFPVBQESA-N 1 2 228.255 1.478 20 30 BDEDLO CS[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840113084 586449067 /nfs/dbraw/zinc/44/90/67/586449067.db2.gz KJUSTRVJZMMHHS-LLVKDONJSA-N 1 2 249.339 1.115 20 30 BDEDLO CS[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840113084 586449068 /nfs/dbraw/zinc/44/90/68/586449068.db2.gz KJUSTRVJZMMHHS-LLVKDONJSA-N 1 2 249.339 1.115 20 30 BDEDLO CC1(C)CCC(=O)N1C[N@@H+]1CCC[C@@](C)(C#N)C1 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/nfs/dbraw/zinc/60/04/74/586600474.db2.gz HMAQIHPRDORKNK-UHFFFAOYSA-N 1 2 216.244 1.506 20 30 BDEDLO CC(=[NH+]NC(=S)NC1CC1)c1ccc(N)nc1 ZINC000814734172 586630947 /nfs/dbraw/zinc/63/09/47/586630947.db2.gz WBIPLIHJJDVMAR-UHFFFAOYSA-N 1 2 249.343 1.014 20 30 BDEDLO CC(=NNC(=S)NC1CC1)c1ccc(N)[nH+]c1 ZINC000814734172 586630949 /nfs/dbraw/zinc/63/09/49/586630949.db2.gz WBIPLIHJJDVMAR-UHFFFAOYSA-N 1 2 249.343 1.014 20 30 BDEDLO Cc1ccc(N=NC(C)c2ccc(N)[nH+]c2)nn1 ZINC000814840962 586638024 /nfs/dbraw/zinc/63/80/24/586638024.db2.gz VJLQLDDCERUYQW-UHFFFAOYSA-N 1 2 242.286 1.598 20 30 BDEDLO Cc1ccc2c(N[NH2+]C[C@H](C)O)csc2c1 ZINC000814961593 586659852 /nfs/dbraw/zinc/65/98/52/586659852.db2.gz NFWZQRUYCUVSHR-VIFPVBQESA-N 1 2 236.340 1.775 20 30 BDEDLO CC(C[NH+]1Cc2ccccc2C1)=NNC[C@@H](C)O ZINC000814964979 586660990 /nfs/dbraw/zinc/66/09/90/586660990.db2.gz GVBKCWDXHDPZLF-GFCCVEGCSA-N 1 2 247.342 1.349 20 30 BDEDLO CCS(=O)(=O)CC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000815077118 586665083 /nfs/dbraw/zinc/66/50/83/586665083.db2.gz YWEKHZWFOIPGCI-WDEREUQCSA-N 1 2 244.360 1.045 20 30 BDEDLO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000815077118 586665084 /nfs/dbraw/zinc/66/50/84/586665084.db2.gz YWEKHZWFOIPGCI-WDEREUQCSA-N 1 2 244.360 1.045 20 30 BDEDLO C=CCC(F)(F)C(=O)NCCc1c[nH+]cn1C ZINC000816046675 586705881 /nfs/dbraw/zinc/70/58/81/586705881.db2.gz HGYGBWKMIDXTPM-UHFFFAOYSA-N 1 2 243.257 1.290 20 30 BDEDLO CC[C@H](O)CNN=C1CCc2ccc[nH+]c2CC1 ZINC000817328532 586794840 /nfs/dbraw/zinc/79/48/40/586794840.db2.gz FNLJNZZAJVPBTQ-ZDUSSCGKSA-N 1 2 247.342 1.677 20 30 BDEDLO C[C@@H](O)CNN=C1CCc2ccc[nH+]c2CC1 ZINC000817329567 586795316 /nfs/dbraw/zinc/79/53/16/586795316.db2.gz NVLGWLOVJSGFKU-SNVBAGLBSA-N 1 2 233.315 1.287 20 30 BDEDLO CCc1nc(CNc2cc(C)[nH+]cc2C#N)co1 ZINC000819929751 587002645 /nfs/dbraw/zinc/00/26/45/587002645.db2.gz BZVCONSPQXGMRT-UHFFFAOYSA-N 1 2 242.282 1.846 20 30 BDEDLO C#CCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000820346825 587044460 /nfs/dbraw/zinc/04/44/60/587044460.db2.gz NWQBUILNMNENKL-CYBMUJFWSA-N 1 2 247.342 2.000 20 30 BDEDLO C#CCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000820346535 587044648 /nfs/dbraw/zinc/04/46/48/587044648.db2.gz INQQJUNJRBCKFE-UHFFFAOYSA-N 1 2 219.288 1.044 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N(C)C[C@H](C)O ZINC000820640012 587060757 /nfs/dbraw/zinc/06/07/57/587060757.db2.gz NYRMWQZRQUVQQR-LBPRGKRZSA-N 1 2 248.326 1.691 20 30 BDEDLO CCn1cc(C(=O)/C=C\c2ccc(N)[nH+]c2)cn1 ZINC000821039142 587090597 /nfs/dbraw/zinc/09/05/97/587090597.db2.gz POQTXECJLVZKMQ-HYXAFXHYSA-N 1 2 242.282 1.776 20 30 BDEDLO C=C(Br)CN1CCc2[nH+]c[nH]c2C1 ZINC000821272135 587104638 /nfs/dbraw/zinc/10/46/38/587104638.db2.gz VCPQKVMTUDZCPJ-UHFFFAOYSA-N 1 2 242.120 1.676 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000821379106 587114018 /nfs/dbraw/zinc/11/40/18/587114018.db2.gz AXZRXHFQXNMNIZ-UHFFFAOYSA-N 1 2 230.271 1.958 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000821379106 587114020 /nfs/dbraw/zinc/11/40/20/587114020.db2.gz AXZRXHFQXNMNIZ-UHFFFAOYSA-N 1 2 230.271 1.958 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000822396871 587165713 /nfs/dbraw/zinc/16/57/13/587165713.db2.gz OAYMDRJIHSBHKJ-JTQLQIEISA-N 1 2 233.315 1.433 20 30 BDEDLO C#C[C@@H](CC)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000822406764 587166626 /nfs/dbraw/zinc/16/66/26/587166626.db2.gz KBHGXUINVOZVAX-LBPRGKRZSA-N 1 2 241.294 1.784 20 30 BDEDLO C#CC[C@@H](NCc1c[nH+]cn1C(C)C)C(=O)OC ZINC000822489335 587171531 /nfs/dbraw/zinc/17/15/31/587171531.db2.gz APUKRRHGWCIZGV-GFCCVEGCSA-N 1 2 249.314 1.119 20 30 BDEDLO CCC(C#N)(CC)C(=O)OCCc1c[nH+]cn1C ZINC000860200689 589089020 /nfs/dbraw/zinc/08/90/20/589089020.db2.gz ZHNQJTVZQWOJFN-UHFFFAOYSA-N 1 2 249.314 1.836 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824233768 587262139 /nfs/dbraw/zinc/26/21/39/587262139.db2.gz XXFCZHRYGTZMNP-RKDXNWHRSA-N 1 2 221.260 1.137 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824233768 587262140 /nfs/dbraw/zinc/26/21/40/587262140.db2.gz XXFCZHRYGTZMNP-RKDXNWHRSA-N 1 2 221.260 1.137 20 30 BDEDLO CCN(C(=O)/C=C\c1cn(C)c[nH+]1)[C@@H](C)C#N ZINC000825635137 587327932 /nfs/dbraw/zinc/32/79/32/587327932.db2.gz LTADEUJXCJZZED-OMMCCPJFSA-N 1 2 232.287 1.194 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCCO1 ZINC000828307553 587433500 /nfs/dbraw/zinc/43/35/00/587433500.db2.gz QFLFSHIXXXRIJL-UONOGXRCSA-N 1 2 241.294 1.224 20 30 BDEDLO C#CC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000830345715 587546586 /nfs/dbraw/zinc/54/65/86/587546586.db2.gz PAXJDLOISKIZBF-SECBINFHSA-N 1 2 219.288 1.784 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831608054 587623087 /nfs/dbraw/zinc/62/30/87/587623087.db2.gz ZRDFDWHLVPUEMV-NXEZZACHSA-N 1 2 232.287 1.623 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000101728448 587767410 /nfs/dbraw/zinc/76/74/10/587767410.db2.gz CAVZIKDQFBHNKW-NSHDSACASA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000101728448 587767411 /nfs/dbraw/zinc/76/74/11/587767411.db2.gz CAVZIKDQFBHNKW-NSHDSACASA-N 1 2 244.766 1.976 20 30 BDEDLO Cc1nc(C#N)c(N[NH2+]C=C2CC2(F)F)o1 ZINC000834941229 587772159 /nfs/dbraw/zinc/77/21/59/587772159.db2.gz FBVKLGRMTXBVBT-LURJTMIESA-N 1 2 226.186 1.908 20 30 BDEDLO C#C[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000836407153 587832725 /nfs/dbraw/zinc/83/27/25/587832725.db2.gz NGZQUHJTNHIQNT-ZJUUUORDSA-N 1 2 234.303 1.285 20 30 BDEDLO C[C@H](CNC(=O)C#CC(C)(C)C)Cn1cc[nH+]c1 ZINC000837431362 587872496 /nfs/dbraw/zinc/87/24/96/587872496.db2.gz RYNFTUUSPMGNMD-GFCCVEGCSA-N 1 2 247.342 1.685 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C)nn1 ZINC000840917094 587929198 /nfs/dbraw/zinc/92/91/98/587929198.db2.gz GMQHSTURGSIETE-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C)nn1 ZINC000840917094 587929199 /nfs/dbraw/zinc/92/91/99/587929199.db2.gz GMQHSTURGSIETE-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO CC[C@H](C)CON=C(N)C[NH+]1CCSCC1 ZINC000121495866 587947584 /nfs/dbraw/zinc/94/75/84/587947584.db2.gz DAROKBIGBYEJCO-JTQLQIEISA-N 1 2 245.392 1.370 20 30 BDEDLO CCn1c[nH+]cc1C=NNCCC(F)(F)F ZINC000841635950 587963692 /nfs/dbraw/zinc/96/36/92/587963692.db2.gz HWWQUGIUTHGUQT-UHFFFAOYSA-N 1 2 234.225 1.779 20 30 BDEDLO Cc1cccn2c(C=NN(C)C[C@H](C)O)c[nH+]c12 ZINC000841652003 587967536 /nfs/dbraw/zinc/96/75/36/587967536.db2.gz PWIDBMLFECIUCP-NSHDSACASA-N 1 2 246.314 1.289 20 30 BDEDLO C#CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000842634450 588047444 /nfs/dbraw/zinc/04/74/44/588047444.db2.gz WXBQOFJBHZTLPA-UHFFFAOYSA-N 1 2 241.294 1.023 20 30 BDEDLO CC#CCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842658077 588050334 /nfs/dbraw/zinc/05/03/34/588050334.db2.gz WLXWHUOZVNOTFL-NSHDSACASA-N 1 2 240.303 1.094 20 30 BDEDLO C=C(C)CONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000844279476 588180011 /nfs/dbraw/zinc/18/00/11/588180011.db2.gz AJCFCLSSNPZUHP-JTQLQIEISA-N 1 2 238.291 1.079 20 30 BDEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000844527765 588200628 /nfs/dbraw/zinc/20/06/28/588200628.db2.gz BUWRDJCPAJJDGH-GXFFZTMASA-N 1 2 237.347 1.383 20 30 BDEDLO CC/C=C(/C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844529775 588200911 /nfs/dbraw/zinc/20/09/11/588200911.db2.gz WXWIGSUSPPYUMB-MQGYJPLLSA-N 1 2 223.320 1.303 20 30 BDEDLO CC/C=C(\C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844529776 588200920 /nfs/dbraw/zinc/20/09/20/588200920.db2.gz WXWIGSUSPPYUMB-OFFHKIPUSA-N 1 2 223.320 1.303 20 30 BDEDLO C=C[C@H](C)ON=CC(C)(C)[NH+]1CCOCC1 ZINC000844619512 588209227 /nfs/dbraw/zinc/20/92/27/588209227.db2.gz ALAJZPOHNJTBGJ-NSHDSACASA-N 1 2 226.320 1.674 20 30 BDEDLO C[C@H](C#N)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278869 588225449 /nfs/dbraw/zinc/22/54/49/588225449.db2.gz WPCICTFMJIRXGY-RKDXNWHRSA-N 1 2 207.233 1.289 20 30 BDEDLO C#C[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845478815 588229896 /nfs/dbraw/zinc/22/98/96/588229896.db2.gz CUBYZMNJRPEZMC-SNVBAGLBSA-N 1 2 232.283 1.327 20 30 BDEDLO C#C[C@@H](CC)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845516775 588231135 /nfs/dbraw/zinc/23/11/35/588231135.db2.gz PIZRRBTVYSATRN-QWRGUYRKSA-N 1 2 220.272 1.789 20 30 BDEDLO C=C[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845522113 588231855 /nfs/dbraw/zinc/23/18/55/588231855.db2.gz JUIJRMDCHAWXKG-VHSXEESVSA-N 1 2 208.261 1.952 20 30 BDEDLO C#CCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846248875 588262763 /nfs/dbraw/zinc/26/27/63/588262763.db2.gz XTFATIZZJRITDA-UHFFFAOYSA-N 1 2 219.288 1.565 20 30 BDEDLO CCN1C[C@H](C[N@H+](C)[C@@H](C)CC#N)OC1=O ZINC000846816518 588289399 /nfs/dbraw/zinc/28/93/99/588289399.db2.gz XUOHJGALHJAZQB-UWVGGRQHSA-N 1 2 225.292 1.061 20 30 BDEDLO CCN1C[C@H](C[N@@H+](C)[C@@H](C)CC#N)OC1=O ZINC000846816518 588289400 /nfs/dbraw/zinc/28/94/00/588289400.db2.gz XUOHJGALHJAZQB-UWVGGRQHSA-N 1 2 225.292 1.061 20 30 BDEDLO C[N@H+](CCC#N)CC1(Br)CC1 ZINC000846813844 588291033 /nfs/dbraw/zinc/29/10/33/588291033.db2.gz LYCBDEYMGFCRMU-UHFFFAOYSA-N 1 2 217.110 1.759 20 30 BDEDLO C[N@@H+](CCC#N)CC1(Br)CC1 ZINC000846813844 588291034 /nfs/dbraw/zinc/29/10/34/588291034.db2.gz LYCBDEYMGFCRMU-UHFFFAOYSA-N 1 2 217.110 1.759 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000847021694 588302461 /nfs/dbraw/zinc/30/24/61/588302461.db2.gz AUBBCVYRASETPS-LLVKDONJSA-N 1 2 247.298 1.267 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000847021694 588302462 /nfs/dbraw/zinc/30/24/62/588302462.db2.gz AUBBCVYRASETPS-LLVKDONJSA-N 1 2 247.298 1.267 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(CCC)no2)C1 ZINC000847032713 588304494 /nfs/dbraw/zinc/30/44/94/588304494.db2.gz YUUUXXGXGRZPBL-LLVKDONJSA-N 1 2 233.315 1.867 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(CCC)no2)C1 ZINC000847032713 588304495 /nfs/dbraw/zinc/30/44/95/588304495.db2.gz YUUUXXGXGRZPBL-LLVKDONJSA-N 1 2 233.315 1.867 20 30 BDEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)no1 ZINC000848416226 588381836 /nfs/dbraw/zinc/38/18/36/588381836.db2.gz CXVSBGHSUGHXJL-UHFFFAOYSA-N 1 2 233.275 1.193 20 30 BDEDLO CCn1cc(C=NNCCCn2cc[nH+]c2)cn1 ZINC000848417854 588382118 /nfs/dbraw/zinc/38/21/18/588382118.db2.gz FSLMGRBSNDHSJA-UHFFFAOYSA-N 1 2 246.318 1.113 20 30 BDEDLO C[C@H]1OCCC1N=NCCCn1cc[nH+]c1 ZINC000848418145 588382127 /nfs/dbraw/zinc/38/21/27/588382127.db2.gz JCNPTMKBWGVVKH-SNVBAGLBSA-N 1 2 222.292 1.028 20 30 BDEDLO CCC(COC)N=NCCCn1cc[nH+]c1 ZINC000848418337 588382547 /nfs/dbraw/zinc/38/25/47/588382547.db2.gz MCYXVVAAJHHLMH-UHFFFAOYSA-N 1 2 224.308 1.275 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000848493942 588387586 /nfs/dbraw/zinc/38/75/86/588387586.db2.gz MXQULENEGWIDRB-JTQLQIEISA-N 1 2 242.269 1.157 20 30 BDEDLO C#C[C@H]1CCC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000848493942 588387588 /nfs/dbraw/zinc/38/75/88/588387588.db2.gz MXQULENEGWIDRB-JTQLQIEISA-N 1 2 242.269 1.157 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](C)SC1)C(=O)OC ZINC000848916341 588419902 /nfs/dbraw/zinc/41/99/02/588419902.db2.gz GOGTXIQDEMDIMQ-DCAQKATOSA-N 1 2 241.356 1.425 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)C(=O)OC ZINC000848916344 588420256 /nfs/dbraw/zinc/42/02/56/588420256.db2.gz GOGTXIQDEMDIMQ-MXWKQRLJSA-N 1 2 241.356 1.425 20 30 BDEDLO C#CCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000848950475 588422086 /nfs/dbraw/zinc/42/20/86/588422086.db2.gz FSCMDMNSHJNXOU-AWEZNQCLSA-N 1 2 242.322 1.491 20 30 BDEDLO C#CCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000848950475 588422088 /nfs/dbraw/zinc/42/20/88/588422088.db2.gz FSCMDMNSHJNXOU-AWEZNQCLSA-N 1 2 242.322 1.491 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C)c(C)[nH]1)[C@H]1CCCO1 ZINC000850250709 588531751 /nfs/dbraw/zinc/53/17/51/588531751.db2.gz CFTSQZKXNCYOJT-NWDGAFQWSA-N 1 2 233.315 1.297 20 30 BDEDLO C#C[C@H](NCc1[nH]c(C)c(C)[nH+]1)[C@H]1CCCO1 ZINC000850250709 588531752 /nfs/dbraw/zinc/53/17/52/588531752.db2.gz CFTSQZKXNCYOJT-NWDGAFQWSA-N 1 2 233.315 1.297 20 30 BDEDLO CCn1ncc(C[NH2+]CC2(C#N)CCCCC2)n1 ZINC000850391124 588543030 /nfs/dbraw/zinc/54/30/30/588543030.db2.gz FXILYYOSYMDFPT-UHFFFAOYSA-N 1 2 247.346 1.862 20 30 BDEDLO CC(C)CN(CCC#N)Cc1cn(C)c[nH+]1 ZINC000851777731 588626765 /nfs/dbraw/zinc/62/67/65/588626765.db2.gz ASOLSYVOTDDQFM-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO COCC[N@@H+](CCC#N)CCOC(F)F ZINC000851797212 588629993 /nfs/dbraw/zinc/62/99/93/588629993.db2.gz IDMMXVURFSZIKV-UHFFFAOYSA-N 1 2 222.235 1.088 20 30 BDEDLO COCC[N@H+](CCC#N)CCOC(F)F ZINC000851797212 588629994 /nfs/dbraw/zinc/62/99/94/588629994.db2.gz IDMMXVURFSZIKV-UHFFFAOYSA-N 1 2 222.235 1.088 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851808558 588632278 /nfs/dbraw/zinc/63/22/78/588632278.db2.gz ITFQPAQUEBJDJT-UWVGGRQHSA-N 1 2 212.293 1.372 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851808558 588632279 /nfs/dbraw/zinc/63/22/79/588632279.db2.gz ITFQPAQUEBJDJT-UWVGGRQHSA-N 1 2 212.293 1.372 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1CCC(=O)O1)C1CC1 ZINC000851866290 588635778 /nfs/dbraw/zinc/63/57/78/588635778.db2.gz MLNXKYXZYYZFDZ-ONGXEEELSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCC(=O)O1)C1CC1 ZINC000851866290 588635779 /nfs/dbraw/zinc/63/57/79/588635779.db2.gz MLNXKYXZYYZFDZ-ONGXEEELSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000851922375 588644121 /nfs/dbraw/zinc/64/41/21/588644121.db2.gz HVECOTGDDWOOFL-ZIAGYGMSSA-N 1 2 245.326 1.741 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000851922375 588644122 /nfs/dbraw/zinc/64/41/22/588644122.db2.gz HVECOTGDDWOOFL-ZIAGYGMSSA-N 1 2 245.326 1.741 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215501 588673257 /nfs/dbraw/zinc/67/32/57/588673257.db2.gz JSEQRGZAKDDTMM-QWRGUYRKSA-N 1 2 232.331 1.773 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215501 588673258 /nfs/dbraw/zinc/67/32/58/588673258.db2.gz JSEQRGZAKDDTMM-QWRGUYRKSA-N 1 2 232.331 1.773 20 30 BDEDLO C[C@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332663 588678686 /nfs/dbraw/zinc/67/86/86/588678686.db2.gz UJVHUZGYVRCXMX-GXTWGEPZSA-N 1 2 245.326 1.320 20 30 BDEDLO C[C@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332663 588678687 /nfs/dbraw/zinc/67/86/87/588678687.db2.gz UJVHUZGYVRCXMX-GXTWGEPZSA-N 1 2 245.326 1.320 20 30 BDEDLO C#CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330441 588678823 /nfs/dbraw/zinc/67/88/23/588678823.db2.gz CNFYFULWSWQUKH-HNNXBMFYSA-N 1 2 239.322 1.962 20 30 BDEDLO C#CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330441 588678824 /nfs/dbraw/zinc/67/88/24/588678824.db2.gz CNFYFULWSWQUKH-HNNXBMFYSA-N 1 2 239.322 1.962 20 30 BDEDLO C#CC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000852472317 588683182 /nfs/dbraw/zinc/68/31/82/588683182.db2.gz BYEYODFWIXXHKA-UMSPYCQHSA-N 1 2 209.289 1.331 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000852687827 588696371 /nfs/dbraw/zinc/69/63/71/588696371.db2.gz VYZBDROIAXWTHB-CYBMUJFWSA-N 1 2 242.282 1.958 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000852687827 588696372 /nfs/dbraw/zinc/69/63/72/588696372.db2.gz VYZBDROIAXWTHB-CYBMUJFWSA-N 1 2 242.282 1.958 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1ccncc1C#N ZINC000852750246 588700122 /nfs/dbraw/zinc/70/01/22/588700122.db2.gz PLHOBYGRXFVUNE-UHFFFAOYSA-N 1 2 243.310 1.425 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1ccncc1C#N ZINC000852750246 588700123 /nfs/dbraw/zinc/70/01/23/588700123.db2.gz PLHOBYGRXFVUNE-UHFFFAOYSA-N 1 2 243.310 1.425 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nccn1C(C)C ZINC000852751384 588700321 /nfs/dbraw/zinc/70/03/21/588700321.db2.gz ZURLEULIAAEAPV-UHFFFAOYSA-N 1 2 249.358 1.936 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nccn1C(C)C ZINC000852751384 588700322 /nfs/dbraw/zinc/70/03/22/588700322.db2.gz ZURLEULIAAEAPV-UHFFFAOYSA-N 1 2 249.358 1.936 20 30 BDEDLO CCC(C#N)(CC)C(=O)OCc1c[nH+]cn1C ZINC000860575815 589106878 /nfs/dbraw/zinc/10/68/78/589106878.db2.gz IKCSMIIJBFSFFG-UHFFFAOYSA-N 1 2 235.287 1.793 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)[C@H]1CCCO1 ZINC000862332919 589201136 /nfs/dbraw/zinc/20/11/36/589201136.db2.gz ZOUQHVWWIZTKJM-CHWSQXEVSA-N 1 2 246.310 1.822 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(=O)OC ZINC000862392641 589208375 /nfs/dbraw/zinc/20/83/75/589208375.db2.gz OAOXEKSRYKIWJQ-PSASIEDQSA-N 1 2 245.269 1.575 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000862564773 589222776 /nfs/dbraw/zinc/22/27/76/589222776.db2.gz HTPBETKAXLBYIR-LBPRGKRZSA-N 1 2 231.299 1.145 20 30 BDEDLO CCO[C@H]1CC(=[NH+]n2cccn2)[C@H]1SC ZINC000863163804 589266197 /nfs/dbraw/zinc/26/61/97/589266197.db2.gz PQDBXAUHDPNISW-VHSXEESVSA-N 1 2 225.317 1.628 20 30 BDEDLO C#CCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478444 589291998 /nfs/dbraw/zinc/29/19/98/589291998.db2.gz PHAYUVDYCQPNQB-UHFFFAOYSA-N 1 2 210.277 1.467 20 30 BDEDLO N#Cc1cc(C(=O)NCCCn2cc[nH+]c2)co1 ZINC000864413183 589360022 /nfs/dbraw/zinc/36/00/22/589360022.db2.gz CMUKRTPYRLSEEY-UHFFFAOYSA-N 1 2 244.254 1.168 20 30 BDEDLO N#Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)co1 ZINC000865029762 589405465 /nfs/dbraw/zinc/40/54/65/589405465.db2.gz MJDJVICKSDGUNI-UHFFFAOYSA-N 1 2 245.282 1.071 20 30 BDEDLO Cn1cc(C(=O)/C=C/c2cn(C3CC3)c[nH+]2)cn1 ZINC000865217944 589414599 /nfs/dbraw/zinc/41/45/99/589414599.db2.gz KHSHVFRMIFDNRJ-GORDUTHDSA-N 1 2 242.282 1.848 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865976833 589471098 /nfs/dbraw/zinc/47/10/98/589471098.db2.gz AMXSSSRTMPZJCN-YPMHNXCESA-N 1 2 248.326 1.975 20 30 BDEDLO CCOC(=O)c1cc(C[NH2+][C@@H](C)CC#N)on1 ZINC000866129147 589477650 /nfs/dbraw/zinc/47/76/50/589477650.db2.gz AUCHXZYCGCXDJS-QMMMGPOBSA-N 1 2 237.259 1.243 20 30 BDEDLO COC(=O)C1CC(Nc2cc(C)[nH+]cc2C#N)C1 ZINC000866169163 589478795 /nfs/dbraw/zinc/47/87/95/589478795.db2.gz PMQYLVFPKKYPGI-UHFFFAOYSA-N 1 2 245.282 1.047 20 30 BDEDLO C[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866241002 589482092 /nfs/dbraw/zinc/48/20/92/589482092.db2.gz SSVPHTZOCPCPMQ-BDAKNGLRSA-N 1 2 220.272 1.295 20 30 BDEDLO C[C@H]([NH2+]C[C@H]1CCOC1)c1cccc(C#N)c1O ZINC000866242207 589482478 /nfs/dbraw/zinc/48/24/78/589482478.db2.gz IVJQOQJWXFDHPP-WDEREUQCSA-N 1 2 246.310 1.951 20 30 BDEDLO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cccc(C#N)c1O ZINC000866260831 589483418 /nfs/dbraw/zinc/48/34/18/589483418.db2.gz XYUORUKATLIMGX-PWSUYJOCSA-N 1 2 245.326 1.619 20 30 BDEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)N(C)C ZINC000866259345 589483486 /nfs/dbraw/zinc/48/34/86/589483486.db2.gz LNQGGINFGPMJKR-MNOVXSKESA-N 1 2 247.342 1.865 20 30 BDEDLO C[C@@H]([NH2+]CC[C@H](C)O)c1cccc(C#N)c1O ZINC000866267577 589483658 /nfs/dbraw/zinc/48/36/58/589483658.db2.gz MAIHHHLFALMITO-VHSXEESVSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@H]([NH2+]CCN1CCC1)c1cccc(C#N)c1O ZINC000866309498 589485766 /nfs/dbraw/zinc/48/57/66/589485766.db2.gz PFAPKJOQQYWCAO-NSHDSACASA-N 1 2 245.326 1.620 20 30 BDEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[C@@H]1C#N ZINC000870669844 589681949 /nfs/dbraw/zinc/68/19/49/589681949.db2.gz CUOUQWJTMFVHBG-ZJUUUORDSA-N 1 2 232.287 1.103 20 30 BDEDLO CCCNN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872342021 589915167 /nfs/dbraw/zinc/91/51/67/589915167.db2.gz MFSSFSBLZCYMCL-UHFFFAOYSA-N 1 2 203.249 1.243 20 30 BDEDLO C1[C@@H]2[C@H]1CCC2N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000872360059 589918869 /nfs/dbraw/zinc/91/88/69/589918869.db2.gz ZCEJDARGZRXHMZ-LUTQBAROSA-N 1 2 232.331 1.632 20 30 BDEDLO CC(C)OCCNN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872364167 589920873 /nfs/dbraw/zinc/92/08/73/589920873.db2.gz DUVNMXDDSIEHRE-UHFFFAOYSA-N 1 2 247.302 1.258 20 30 BDEDLO C=CC[N@@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872599743 589956096 /nfs/dbraw/zinc/95/60/96/589956096.db2.gz BOJNVHUHTFZJSN-UHFFFAOYSA-N 1 2 222.332 1.854 20 30 BDEDLO C=CC[N@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872599743 589956097 /nfs/dbraw/zinc/95/60/97/589956097.db2.gz BOJNVHUHTFZJSN-UHFFFAOYSA-N 1 2 222.332 1.854 20 30 BDEDLO CC(C)(C)C#CC(=O)Nc1ccc(N)[nH+]c1 ZINC000876523421 590207782 /nfs/dbraw/zinc/20/77/82/590207782.db2.gz VSRHLWAQQKHDEX-UHFFFAOYSA-N 1 2 217.272 1.652 20 30 BDEDLO CCCn1cc(C[NH+]2CCC(C#N)CC2)nn1 ZINC000876653605 590226085 /nfs/dbraw/zinc/22/60/85/590226085.db2.gz QDNQRYHMCLKHHE-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO Cn1cc(C[NH+]2CCC(C#N)CC2)c([N+](=O)[O-])n1 ZINC000876652656 590226159 /nfs/dbraw/zinc/22/61/59/590226159.db2.gz GTRRQSQNLYMJLI-UHFFFAOYSA-N 1 2 249.274 1.064 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C)cc1O ZINC000877585551 590367790 /nfs/dbraw/zinc/36/77/90/590367790.db2.gz JEEOMPYSXHCHAM-ZDUSSCGKSA-N 1 2 231.295 1.535 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877585551 590367792 /nfs/dbraw/zinc/36/77/92/590367792.db2.gz JEEOMPYSXHCHAM-ZDUSSCGKSA-N 1 2 231.295 1.535 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000877616718 590374823 /nfs/dbraw/zinc/37/48/23/590374823.db2.gz GIPDMFCWYSRORP-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000877616718 590374825 /nfs/dbraw/zinc/37/48/25/590374825.db2.gz GIPDMFCWYSRORP-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncc(C)o1)C1CCOCC1 ZINC000877636341 590380788 /nfs/dbraw/zinc/38/07/88/590380788.db2.gz UFLHTNMVHIKAKO-LBPRGKRZSA-N 1 2 234.299 1.501 20 30 BDEDLO C=C(C)C[C@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000877690305 590393260 /nfs/dbraw/zinc/39/32/60/590393260.db2.gz QGYAXPRDPYTAJP-LBPRGKRZSA-N 1 2 249.310 1.990 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1(C)CCC1 ZINC000877710019 590398589 /nfs/dbraw/zinc/39/85/89/590398589.db2.gz CKSXGVMULFPHCG-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1(C)CCC1 ZINC000877710019 590398591 /nfs/dbraw/zinc/39/85/91/590398591.db2.gz CKSXGVMULFPHCG-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(C)n1 ZINC000878254806 590530006 /nfs/dbraw/zinc/53/00/06/590530006.db2.gz HARUWKVRNARQOZ-ZDUSSCGKSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)n1 ZINC000878254806 590530010 /nfs/dbraw/zinc/53/00/10/590530010.db2.gz HARUWKVRNARQOZ-ZDUSSCGKSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000878659405 590604729 /nfs/dbraw/zinc/60/47/29/590604729.db2.gz CYDWDMPNEPHSGX-PWSUYJOCSA-N 1 2 229.295 1.928 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@](C)(F)C1 ZINC000878659405 590604731 /nfs/dbraw/zinc/60/47/31/590604731.db2.gz CYDWDMPNEPHSGX-PWSUYJOCSA-N 1 2 229.295 1.928 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1nccn1CC(F)F ZINC000878698625 590611076 /nfs/dbraw/zinc/61/10/76/590611076.db2.gz FWSGBVSQFTUSPB-SECBINFHSA-N 1 2 242.273 1.930 20 30 BDEDLO CC[C@H](CC#N)NCc1[nH+]ccn1CC(F)F ZINC000878698625 590611078 /nfs/dbraw/zinc/61/10/78/590611078.db2.gz FWSGBVSQFTUSPB-SECBINFHSA-N 1 2 242.273 1.930 20 30 BDEDLO CC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000878801139 590624910 /nfs/dbraw/zinc/62/49/10/590624910.db2.gz NAJRZQUNWGESTH-CYBMUJFWSA-N 1 2 232.283 1.112 20 30 BDEDLO CC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000878801139 590624911 /nfs/dbraw/zinc/62/49/11/590624911.db2.gz NAJRZQUNWGESTH-CYBMUJFWSA-N 1 2 232.283 1.112 20 30 BDEDLO CC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000878801140 590624962 /nfs/dbraw/zinc/62/49/62/590624962.db2.gz NAJRZQUNWGESTH-ZDUSSCGKSA-N 1 2 232.283 1.112 20 30 BDEDLO CC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000878801140 590624963 /nfs/dbraw/zinc/62/49/63/590624963.db2.gz NAJRZQUNWGESTH-ZDUSSCGKSA-N 1 2 232.283 1.112 20 30 BDEDLO Cc1cccnc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000878821192 590628003 /nfs/dbraw/zinc/62/80/03/590628003.db2.gz SQZZTUIBYXYSAJ-JTQLQIEISA-N 1 2 232.287 1.220 20 30 BDEDLO C#CC[N@@H+](Cc1cnc(C)nc1)C1CSC1 ZINC000878910904 590647446 /nfs/dbraw/zinc/64/74/46/590647446.db2.gz ZHOSIHUTEMLQGD-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CC[N@H+](Cc1cnc(C)nc1)C1CSC1 ZINC000878910904 590647450 /nfs/dbraw/zinc/64/74/50/590647450.db2.gz ZHOSIHUTEMLQGD-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CCCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878915005 590650701 /nfs/dbraw/zinc/65/07/01/590650701.db2.gz NZAHHPRRXCGFAS-NSHDSACASA-N 1 2 231.286 1.882 20 30 BDEDLO C#CCCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878915005 590650702 /nfs/dbraw/zinc/65/07/02/590650702.db2.gz NZAHHPRRXCGFAS-NSHDSACASA-N 1 2 231.286 1.882 20 30 BDEDLO C[N@H+](C[C@H](O)c1ccccn1)[C@@H]1CCC[C@@H]1C#N ZINC000879310626 590734326 /nfs/dbraw/zinc/73/43/26/590734326.db2.gz XRNDHGXDBXYZCA-BNOWGMLFSA-N 1 2 245.326 1.739 20 30 BDEDLO C[N@@H+](C[C@H](O)c1ccccn1)[C@@H]1CCC[C@@H]1C#N ZINC000879310626 590734330 /nfs/dbraw/zinc/73/43/30/590734330.db2.gz XRNDHGXDBXYZCA-BNOWGMLFSA-N 1 2 245.326 1.739 20 30 BDEDLO C#C[C@@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000879604540 590826528 /nfs/dbraw/zinc/82/65/28/590826528.db2.gz AUHUMGMANPIVBE-NSHDSACASA-N 1 2 247.298 1.122 20 30 BDEDLO C#CCC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762575 590866580 /nfs/dbraw/zinc/86/65/80/590866580.db2.gz DSOJVXYDXQVAOO-JTQLQIEISA-N 1 2 248.248 1.153 20 30 BDEDLO C#CCC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762575 590866582 /nfs/dbraw/zinc/86/65/82/590866582.db2.gz DSOJVXYDXQVAOO-JTQLQIEISA-N 1 2 248.248 1.153 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000879929314 590890756 /nfs/dbraw/zinc/89/07/56/590890756.db2.gz VYMMIVJLTGFSBM-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880419509 591027162 /nfs/dbraw/zinc/02/71/62/591027162.db2.gz MEUVDGVXGOTISM-GWCFXTLKSA-N 1 2 232.258 1.264 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880419509 591027166 /nfs/dbraw/zinc/02/71/66/591027166.db2.gz MEUVDGVXGOTISM-GWCFXTLKSA-N 1 2 232.258 1.264 20 30 BDEDLO CC#CC[NH2+]Cc1cn(C/C=C\Cl)nn1 ZINC000881427023 591203654 /nfs/dbraw/zinc/20/36/54/591203654.db2.gz ASEWGGYMPSWBJY-PLNGDYQASA-N 1 2 224.695 1.144 20 30 BDEDLO C#CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000882532395 591384749 /nfs/dbraw/zinc/38/47/49/591384749.db2.gz MEIWJVCXAXQBCF-LLVKDONJSA-N 1 2 245.326 1.651 20 30 BDEDLO C#CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000882532395 591384754 /nfs/dbraw/zinc/38/47/54/591384754.db2.gz MEIWJVCXAXQBCF-LLVKDONJSA-N 1 2 245.326 1.651 20 30 BDEDLO Cc1nc(C#N)cc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000882625486 591402517 /nfs/dbraw/zinc/40/25/17/591402517.db2.gz AYFSUEVLFQYYES-UHFFFAOYSA-N 1 2 242.286 1.727 20 30 BDEDLO C#CC[C@H](COC)Nc1nc[nH+]c(C)c1C ZINC000882672074 591409364 /nfs/dbraw/zinc/40/93/64/591409364.db2.gz VQUDVDOAYNJIGU-LLVKDONJSA-N 1 2 219.288 1.544 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000883006063 591507255 /nfs/dbraw/zinc/50/72/55/591507255.db2.gz ICQGFOVSDLHJIS-SECBINFHSA-N 1 2 247.302 1.102 20 30 BDEDLO CCn1cc[nH+]c1CNc1cccc(CC#N)n1 ZINC000883356537 591627368 /nfs/dbraw/zinc/62/73/68/591627368.db2.gz QJHOYEKPWKJUJK-UHFFFAOYSA-N 1 2 241.298 1.976 20 30 BDEDLO C=CCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800177697 591832136 /nfs/dbraw/zinc/83/21/36/591832136.db2.gz LNNSJTOWIFBALE-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800177697 591832138 /nfs/dbraw/zinc/83/21/38/591832138.db2.gz LNNSJTOWIFBALE-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc[nH+]c(CC)n1 ZINC000884567265 591981484 /nfs/dbraw/zinc/98/14/84/591981484.db2.gz GCQSOJMXHGVJPE-JTQLQIEISA-N 1 2 219.288 1.489 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886173358 592169565 /nfs/dbraw/zinc/16/95/65/592169565.db2.gz NEOQGRNVYUSNRD-VIFPVBQESA-N 1 2 219.244 1.443 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886173358 592169568 /nfs/dbraw/zinc/16/95/68/592169568.db2.gz NEOQGRNVYUSNRD-VIFPVBQESA-N 1 2 219.244 1.443 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000886242774 592183832 /nfs/dbraw/zinc/18/38/32/592183832.db2.gz CSNHNTIEKNSMOP-UONOGXRCSA-N 1 2 249.354 1.670 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000886242774 592183834 /nfs/dbraw/zinc/18/38/34/592183834.db2.gz CSNHNTIEKNSMOP-UONOGXRCSA-N 1 2 249.354 1.670 20 30 BDEDLO N#C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573104 592265594 /nfs/dbraw/zinc/26/55/94/592265594.db2.gz SYBYFMKHBXQOCH-CBBWQLFWSA-N 1 2 242.322 1.954 20 30 BDEDLO N#C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573104 592265595 /nfs/dbraw/zinc/26/55/95/592265595.db2.gz SYBYFMKHBXQOCH-CBBWQLFWSA-N 1 2 242.322 1.954 20 30 BDEDLO C#CCC1(NC(=O)CCc2c[nH+]cn2C)CCC1 ZINC000886795863 592327355 /nfs/dbraw/zinc/32/73/55/592327355.db2.gz GZBQJVQPOKJMPT-UHFFFAOYSA-N 1 2 245.326 1.415 20 30 BDEDLO C#CC[N@@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886871917 592377996 /nfs/dbraw/zinc/37/79/96/592377996.db2.gz DVUOLSXNIPGWHY-CMPLNLGQSA-N 1 2 227.279 1.233 20 30 BDEDLO C#CC[N@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886871917 592378001 /nfs/dbraw/zinc/37/80/01/592378001.db2.gz DVUOLSXNIPGWHY-CMPLNLGQSA-N 1 2 227.279 1.233 20 30 BDEDLO C=C(C)C[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886950512 592400277 /nfs/dbraw/zinc/40/02/77/592400277.db2.gz MNIBYVILZAMCKM-WDEREUQCSA-N 1 2 227.304 1.263 20 30 BDEDLO C=C(CC)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887075514 592435494 /nfs/dbraw/zinc/43/54/94/592435494.db2.gz HJRBMERESSSNCC-SNVBAGLBSA-N 1 2 229.345 1.543 20 30 BDEDLO C=C(CC)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887075514 592435491 /nfs/dbraw/zinc/43/54/91/592435491.db2.gz HJRBMERESSSNCC-SNVBAGLBSA-N 1 2 229.345 1.543 20 30 BDEDLO C=C1CCC(C(=O)NC2=[NH+]CCS2)CC1 ZINC000887914830 592558117 /nfs/dbraw/zinc/55/81/17/592558117.db2.gz RWZJHTVUUGMELF-UHFFFAOYSA-N 1 2 224.329 1.952 20 30 BDEDLO Cn1c[nH+]c(CNC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000890099953 592678926 /nfs/dbraw/zinc/67/89/26/592678926.db2.gz MJLQWJIMPYZUDN-UHFFFAOYSA-N 1 2 244.298 1.120 20 30 BDEDLO C[N@H+](Cc1ccc(N)nc1)[C@H]1CCC[C@H]1C#N ZINC000931477535 634503141 /nfs/dbraw/zinc/50/31/41/634503141.db2.gz YHWHWKJXUVNBJJ-RYUDHWBXSA-N 1 2 230.315 1.788 20 30 BDEDLO C[N@@H+](Cc1ccc(N)nc1)[C@H]1CCC[C@H]1C#N ZINC000931477535 634503147 /nfs/dbraw/zinc/50/31/47/634503147.db2.gz YHWHWKJXUVNBJJ-RYUDHWBXSA-N 1 2 230.315 1.788 20 30 BDEDLO C#CCC1([NH2+]Cc2noc(C)n2)CCC1 ZINC000933303974 631217703 /nfs/dbraw/zinc/21/77/03/631217703.db2.gz VRFJJORLXVGRCZ-UHFFFAOYSA-N 1 2 205.261 1.414 20 30 BDEDLO Cc1nc(C#N)cc(NCc2c[nH+]cn2C)n1 ZINC000308256176 631228121 /nfs/dbraw/zinc/22/81/21/631228121.db2.gz JLXZAOJELWWYJT-UHFFFAOYSA-N 1 2 228.259 1.002 20 30 BDEDLO CC(=[NH+]OCC1CC1)c1csc(N)n1 ZINC000308502662 631411865 /nfs/dbraw/zinc/41/18/65/631411865.db2.gz AXLFXLVTXWKUTF-UHFFFAOYSA-N 1 2 211.290 1.876 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1cnn(CC)n1 ZINC000934458668 631846530 /nfs/dbraw/zinc/84/65/30/631846530.db2.gz BSBKPSIXWDASKD-LLVKDONJSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cnn(CC)n1 ZINC000934458668 631846535 /nfs/dbraw/zinc/84/65/35/631846535.db2.gz BSBKPSIXWDASKD-LLVKDONJSA-N 1 2 206.293 1.448 20 30 BDEDLO C#CC[N@@H+](C[C@H](O)c1ccccn1)C1CSC1 ZINC000878910139 635814722 /nfs/dbraw/zinc/81/47/22/635814722.db2.gz HWSVWLUPISVHKA-ZDUSSCGKSA-N 1 2 248.351 1.166 20 30 BDEDLO C#CC[N@H+](C[C@H](O)c1ccccn1)C1CSC1 ZINC000878910139 635814725 /nfs/dbraw/zinc/81/47/25/635814725.db2.gz HWSVWLUPISVHKA-ZDUSSCGKSA-N 1 2 248.351 1.166 20 30 BDEDLO C#CC[N@@H+](C[C@@H](O)c1ccccn1)C1CSC1 ZINC000878910136 635815271 /nfs/dbraw/zinc/81/52/71/635815271.db2.gz HWSVWLUPISVHKA-CYBMUJFWSA-N 1 2 248.351 1.166 20 30 BDEDLO C#CC[N@H+](C[C@@H](O)c1ccccn1)C1CSC1 ZINC000878910136 635815276 /nfs/dbraw/zinc/81/52/76/635815276.db2.gz HWSVWLUPISVHKA-CYBMUJFWSA-N 1 2 248.351 1.166 20 30 BDEDLO C=C(C)CNC(=S)NCCCn1cc[nH+]c1 ZINC000047805736 635773411 /nfs/dbraw/zinc/77/34/11/635773411.db2.gz VDOAWABEPOTUEV-UHFFFAOYSA-N 1 2 238.360 1.313 20 30 BDEDLO C=C(Br)CN1CC[NH+](CC)CC1 ZINC000052440578 632411223 /nfs/dbraw/zinc/41/12/23/632411223.db2.gz XFSTUWPGZKQPOS-UHFFFAOYSA-N 1 2 233.153 1.533 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C)cs1)[C@@H]1CCCO1 ZINC000309728585 632661119 /nfs/dbraw/zinc/66/11/19/632661119.db2.gz YYLMZGOFMQRIAO-QWRGUYRKSA-N 1 2 236.340 1.722 20 30 BDEDLO C#CCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180775397 633051460 /nfs/dbraw/zinc/05/14/60/633051460.db2.gz RQGNFAQCDAZBCF-UHFFFAOYSA-N 1 2 226.235 1.662 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccn(C)c2)C1 ZINC000949894118 633140567 /nfs/dbraw/zinc/14/05/67/633140567.db2.gz LYPFRJBDBOSEOB-UHFFFAOYSA-N 1 2 247.342 1.357 20 30 BDEDLO C#CC[C@H]([NH2+]C1CC2(C1)CCCC2)C(=O)OC ZINC000894857595 635956814 /nfs/dbraw/zinc/95/68/14/635956814.db2.gz CIRYMVPASVQYGJ-LBPRGKRZSA-N 1 2 235.327 1.864 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000895173222 636115448 /nfs/dbraw/zinc/11/54/48/636115448.db2.gz WUOMSLLFMUOCPS-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000895173222 636115450 /nfs/dbraw/zinc/11/54/50/636115450.db2.gz WUOMSLLFMUOCPS-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000895599407 636163680 /nfs/dbraw/zinc/16/36/80/636163680.db2.gz ZNQGYMIEBHUEIS-MNOVXSKESA-N 1 2 243.372 1.979 20 30 BDEDLO CC#CC[NH+]1CCN(CCc2ccncc2)CC1 ZINC000931343508 634367233 /nfs/dbraw/zinc/36/72/33/634367233.db2.gz FLLPHGDYFIBNNU-UHFFFAOYSA-N 1 2 243.354 1.265 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000928624820 636216212 /nfs/dbraw/zinc/21/62/12/636216212.db2.gz IACVRJSODICXFF-LBPRGKRZSA-N 1 2 245.326 1.316 20 30 BDEDLO C#CCCc1noc([C@@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923883413 636938494 /nfs/dbraw/zinc/93/84/94/636938494.db2.gz SQUCUPIAXJBIEW-ZJUUUORDSA-N 1 2 235.287 1.027 20 30 BDEDLO C#CCCc1noc([C@@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923883413 636938496 /nfs/dbraw/zinc/93/84/96/636938496.db2.gz SQUCUPIAXJBIEW-ZJUUUORDSA-N 1 2 235.287 1.027 20 30 BDEDLO C#CCc1c(C)[nH]n(CC[NH+]2CCCCC2)c1=O ZINC000899348112 637082029 /nfs/dbraw/zinc/08/20/29/637082029.db2.gz PFNSFRJQXMHLAN-ZDUSSCGKSA-N 1 2 247.342 1.330 20 30 BDEDLO C#CC[N@H+](CN1C[C@@H]2CCCCN2C1=O)C(C)C ZINC000905749201 637896765 /nfs/dbraw/zinc/89/67/65/637896765.db2.gz OVEBYUAUSSGXIP-ZDUSSCGKSA-N 1 2 249.358 1.578 20 30 BDEDLO C#CC[N@@H+](CN1C[C@@H]2CCCCN2C1=O)C(C)C ZINC000905749201 637896768 /nfs/dbraw/zinc/89/67/68/637896768.db2.gz OVEBYUAUSSGXIP-ZDUSSCGKSA-N 1 2 249.358 1.578 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CC12CCC2)C(=O)OC ZINC000905775603 637906260 /nfs/dbraw/zinc/90/62/60/637906260.db2.gz BPBQTJJTMJCLPK-ZJUUUORDSA-N 1 2 209.289 1.636 20 30 BDEDLO C=CC[C@@H]([NH2+]CC[C@H]1CCCS1)C(=O)OC ZINC000905777336 637907947 /nfs/dbraw/zinc/90/79/47/637907947.db2.gz KLVCNYJBJOOJKH-GHMZBOCLSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000905765466 637921780 /nfs/dbraw/zinc/92/17/80/637921780.db2.gz DJUYDOAXUUBWFD-BDAKNGLRSA-N 1 2 233.258 1.882 20 30 BDEDLO C=CC[C@H]([NH2+]CCCSCC)C(=O)OC ZINC000905768401 637922494 /nfs/dbraw/zinc/92/24/94/637922494.db2.gz WZZMZGWMUIKXBE-JTQLQIEISA-N 1 2 231.361 1.837 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000905773932 637928612 /nfs/dbraw/zinc/92/86/12/637928612.db2.gz LNPLKAKEIYHPJW-BDAKNGLRSA-N 1 2 247.285 1.985 20 30 BDEDLO C#C[C@@H](CC)NC(=O)CNc1cccc[nH+]1 ZINC000907714994 638455395 /nfs/dbraw/zinc/45/53/95/638455395.db2.gz MJFGEMYHLUPZAG-JTQLQIEISA-N 1 2 217.272 1.022 20 30 BDEDLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1n[nH]cc1C#N ZINC000910943473 639547904 /nfs/dbraw/zinc/54/79/04/639547904.db2.gz HSCQVSTUCXOEPD-SECBINFHSA-N 1 2 247.302 1.093 20 30 BDEDLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1n[nH]cc1C#N ZINC000910943473 639547912 /nfs/dbraw/zinc/54/79/12/639547912.db2.gz HSCQVSTUCXOEPD-SECBINFHSA-N 1 2 247.302 1.093 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1[nH]nc2c1COCC2 ZINC000930693820 639864672 /nfs/dbraw/zinc/86/46/72/639864672.db2.gz UDBJWOYMVNYUTO-VIFPVBQESA-N 1 2 234.303 1.264 20 30 BDEDLO N#CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC000930795243 639908802 /nfs/dbraw/zinc/90/88/02/639908802.db2.gz SURGVGSTXGUXNJ-UHFFFAOYSA-N 1 2 240.266 1.739 20 30 BDEDLO Cc1cc(C[NH2+][C@H](C)CC#N)c(C)nn1 ZINC000930868322 639959870 /nfs/dbraw/zinc/95/98/70/639959870.db2.gz PWHLLPDEIADWGX-MRVPVSSYSA-N 1 2 204.277 1.485 20 30 BDEDLO C#CC[N@H+](Cc1cncc(C#N)c1)C1CSC1 ZINC000930961170 639998913 /nfs/dbraw/zinc/99/89/13/639998913.db2.gz WWTUPAJNECQRRI-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C#CC[N@@H+](Cc1cncc(C#N)c1)C1CSC1 ZINC000930961170 639998916 /nfs/dbraw/zinc/99/89/16/639998916.db2.gz WWTUPAJNECQRRI-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C=CCCSCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912378432 640033107 /nfs/dbraw/zinc/03/31/07/640033107.db2.gz DQRBGEOUBBSZMH-UHFFFAOYSA-N 1 2 239.344 1.378 20 30 BDEDLO C=CCC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000912524570 640111945 /nfs/dbraw/zinc/11/19/45/640111945.db2.gz ZDBZUZPRZSQDLA-UHFFFAOYSA-N 1 2 233.315 1.957 20 30 BDEDLO CCOCCOCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932150156 640442590 /nfs/dbraw/zinc/44/25/90/640442590.db2.gz NRIVSZKBVOAZAQ-LBPRGKRZSA-N 1 2 226.320 1.275 20 30 BDEDLO CCOCCOCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932150156 640442592 /nfs/dbraw/zinc/44/25/92/640442592.db2.gz NRIVSZKBVOAZAQ-LBPRGKRZSA-N 1 2 226.320 1.275 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001030050682 640548052 /nfs/dbraw/zinc/54/80/52/640548052.db2.gz NJRJQOSQXJEKGH-UHFFFAOYSA-N 1 2 218.247 1.018 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2cncs2)C1 ZINC001030133975 640625779 /nfs/dbraw/zinc/62/57/79/640625779.db2.gz ZULAQJJZQIBNHQ-UHFFFAOYSA-N 1 2 237.328 1.133 20 30 BDEDLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CC1(CC#N)CC1 ZINC000933168382 640675123 /nfs/dbraw/zinc/67/51/23/640675123.db2.gz YWSXNHFUQNOSAS-RISCZKNCSA-N 1 2 248.326 1.708 20 30 BDEDLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CC1(CC#N)CC1 ZINC000933168382 640675126 /nfs/dbraw/zinc/67/51/26/640675126.db2.gz YWSXNHFUQNOSAS-RISCZKNCSA-N 1 2 248.326 1.708 20 30 BDEDLO C#CCC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933322144 640704350 /nfs/dbraw/zinc/70/43/50/640704350.db2.gz GWMUAEQLMLGXQZ-CYBMUJFWSA-N 1 2 228.295 1.183 20 30 BDEDLO C#CCC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933322144 640704353 /nfs/dbraw/zinc/70/43/53/640704353.db2.gz GWMUAEQLMLGXQZ-CYBMUJFWSA-N 1 2 228.295 1.183 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933527780 640723995 /nfs/dbraw/zinc/72/39/95/640723995.db2.gz QTODJHCETWUNIZ-LBPRGKRZSA-N 1 2 221.304 1.370 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933527780 640723997 /nfs/dbraw/zinc/72/39/97/640723997.db2.gz QTODJHCETWUNIZ-LBPRGKRZSA-N 1 2 221.304 1.370 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001030356994 640787445 /nfs/dbraw/zinc/78/74/45/640787445.db2.gz WYCJYYUEYHYFMY-NWDGAFQWSA-N 1 2 236.359 1.799 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(CC)o2)C1 ZINC001030538470 640905543 /nfs/dbraw/zinc/90/55/43/640905543.db2.gz LCJKOOYGRVBXGE-UHFFFAOYSA-N 1 2 248.326 1.832 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(COC)no1 ZINC000934460910 641153345 /nfs/dbraw/zinc/15/33/45/641153345.db2.gz KYUCDSRKJNYGCL-NXEZZACHSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(COC)no1 ZINC000934460910 641153349 /nfs/dbraw/zinc/15/33/49/641153349.db2.gz KYUCDSRKJNYGCL-NXEZZACHSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1ncnn1CC ZINC000934464064 641157124 /nfs/dbraw/zinc/15/71/24/641157124.db2.gz MBWNNRKGYKCCTP-SNVBAGLBSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ncnn1CC ZINC000934464064 641157126 /nfs/dbraw/zinc/15/71/26/641157126.db2.gz MBWNNRKGYKCCTP-SNVBAGLBSA-N 1 2 206.293 1.448 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC000934512276 641180292 /nfs/dbraw/zinc/18/02/92/641180292.db2.gz IZUHTALUFPHRAN-LLVKDONJSA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC000934512276 641180296 /nfs/dbraw/zinc/18/02/96/641180296.db2.gz IZUHTALUFPHRAN-LLVKDONJSA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1snnc1C ZINC000934515996 641184989 /nfs/dbraw/zinc/18/49/89/641184989.db2.gz ATOYRGCEWOFOJL-JTQLQIEISA-N 1 2 221.329 1.834 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1snnc1C ZINC000934515996 641184992 /nfs/dbraw/zinc/18/49/92/641184992.db2.gz ATOYRGCEWOFOJL-JTQLQIEISA-N 1 2 221.329 1.834 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC001030693239 641257117 /nfs/dbraw/zinc/25/71/17/641257117.db2.gz LPWKNCJCYPKDSP-UHFFFAOYSA-N 1 2 237.278 1.144 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(C3CC3)CCC2)C1 ZINC001030751209 641334164 /nfs/dbraw/zinc/33/41/64/641334164.db2.gz YZYJENWXKJSEGS-UHFFFAOYSA-N 1 2 246.354 1.390 20 30 BDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)N=C1C[C@H](C)ON1 ZINC000935136308 641347172 /nfs/dbraw/zinc/34/71/72/641347172.db2.gz AJVIPQCQPCQOHV-UWVGGRQHSA-N 1 2 239.319 1.098 20 30 BDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)N=C1C[C@H](C)ON1 ZINC000935136308 641347181 /nfs/dbraw/zinc/34/71/81/641347181.db2.gz AJVIPQCQPCQOHV-UWVGGRQHSA-N 1 2 239.319 1.098 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)C=CCC2)C1 ZINC001030803722 641361269 /nfs/dbraw/zinc/36/12/69/641361269.db2.gz WYQWSIWMKLIWOP-CQSZACIVSA-N 1 2 232.327 1.166 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001030898483 641409305 /nfs/dbraw/zinc/40/93/05/641409305.db2.gz UBNMPOUAYPDULC-QWRGUYRKSA-N 1 2 222.332 1.409 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935488503 641417474 /nfs/dbraw/zinc/41/74/74/641417474.db2.gz NQUDKEQUIWCPHH-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2conc2CC)C1 ZINC001030913317 641419089 /nfs/dbraw/zinc/41/90/89/641419089.db2.gz FKSNVUJQKAOEDC-UHFFFAOYSA-N 1 2 249.314 1.227 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001031043338 641638236 /nfs/dbraw/zinc/63/82/36/641638236.db2.gz BABCUSWFIPBBDR-RYUDHWBXSA-N 1 2 236.359 1.799 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2nc(C)oc2C)C1 ZINC001031139992 641732250 /nfs/dbraw/zinc/73/22/50/641732250.db2.gz MRUPYQHIMJIJTA-UHFFFAOYSA-N 1 2 249.314 1.282 20 30 BDEDLO COC(=O)[C@@H]1CC[N@H+](CCC#N)[C@H](C)C1 ZINC000933179279 642377301 /nfs/dbraw/zinc/37/73/01/642377301.db2.gz QWOOCJXKCAWQNM-NXEZZACHSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)[C@@H]1CC[N@@H+](CCC#N)[C@H](C)C1 ZINC000933179279 642377307 /nfs/dbraw/zinc/37/73/07/642377307.db2.gz QWOOCJXKCAWQNM-NXEZZACHSA-N 1 2 210.277 1.174 20 30 BDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001010396770 642863796 /nfs/dbraw/zinc/86/37/96/642863796.db2.gz KJQHXVDILHLHQD-LLVKDONJSA-N 1 2 248.330 1.017 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001010396770 642863799 /nfs/dbraw/zinc/86/37/99/642863799.db2.gz KJQHXVDILHLHQD-LLVKDONJSA-N 1 2 248.330 1.017 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCF)C2)C1 ZINC001015677743 642924282 /nfs/dbraw/zinc/92/42/82/642924282.db2.gz ZEEJXWYGYYHBIF-NSHDSACASA-N 1 2 240.322 1.503 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001015677743 642924287 /nfs/dbraw/zinc/92/42/87/642924287.db2.gz ZEEJXWYGYYHBIF-NSHDSACASA-N 1 2 240.322 1.503 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C ZINC001017324370 642970700 /nfs/dbraw/zinc/97/07/00/642970700.db2.gz OGCDSSSUKAHQBR-MQYQWHSLSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C ZINC001017324370 642970705 /nfs/dbraw/zinc/97/07/05/642970705.db2.gz OGCDSSSUKAHQBR-MQYQWHSLSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001017901580 642983254 /nfs/dbraw/zinc/98/32/54/642983254.db2.gz XXXRZZLUOJXWSN-BETUJISGSA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001017901580 642983263 /nfs/dbraw/zinc/98/32/63/642983263.db2.gz XXXRZZLUOJXWSN-BETUJISGSA-N 1 2 246.354 1.485 20 30 BDEDLO CCOC(C[N@H+](CC)C[C@@H](C)C#N)OCC ZINC000082486248 643321982 /nfs/dbraw/zinc/32/19/82/643321982.db2.gz MQTMDYTUUUYKIG-NSHDSACASA-N 1 2 228.336 1.867 20 30 BDEDLO CCOC(C[N@@H+](CC)C[C@@H](C)C#N)OCC ZINC000082486248 643321984 /nfs/dbraw/zinc/32/19/84/643321984.db2.gz MQTMDYTUUUYKIG-NSHDSACASA-N 1 2 228.336 1.867 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001032322927 643504298 /nfs/dbraw/zinc/50/42/98/643504298.db2.gz FMIVCMHOKWVGAT-STQMWFEESA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001032322927 643504302 /nfs/dbraw/zinc/50/43/02/643504302.db2.gz FMIVCMHOKWVGAT-STQMWFEESA-N 1 2 232.327 1.095 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC=CC1 ZINC001032326949 643510387 /nfs/dbraw/zinc/51/03/87/643510387.db2.gz DOCRIBYODGSTCI-KBPBESRZSA-N 1 2 244.338 1.261 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC=CC1 ZINC001032326949 643510399 /nfs/dbraw/zinc/51/03/99/643510399.db2.gz DOCRIBYODGSTCI-KBPBESRZSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCC1 ZINC001032342476 643540668 /nfs/dbraw/zinc/54/06/68/643540668.db2.gz XXAYZPFNTUSTTR-KBPBESRZSA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCC1 ZINC001032342476 643540676 /nfs/dbraw/zinc/54/06/76/643540676.db2.gz XXAYZPFNTUSTTR-KBPBESRZSA-N 1 2 246.354 1.485 20 30 BDEDLO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cnn[nH]1 ZINC000922275367 643942074 /nfs/dbraw/zinc/94/20/74/643942074.db2.gz BAZQVVRSKOARHF-UHFFFAOYSA-N 1 2 241.298 1.583 20 30 BDEDLO CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004293253 644064495 /nfs/dbraw/zinc/06/44/95/644064495.db2.gz JTURESAAZCEYOJ-ZDUSSCGKSA-N 1 2 235.331 1.233 20 30 BDEDLO CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004293253 644064499 /nfs/dbraw/zinc/06/44/99/644064499.db2.gz JTURESAAZCEYOJ-ZDUSSCGKSA-N 1 2 235.331 1.233 20 30 BDEDLO C#CCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000192322479 644144166 /nfs/dbraw/zinc/14/41/66/644144166.db2.gz JJJSQDPJAUMWIP-UHFFFAOYSA-N 1 2 230.315 1.902 20 30 BDEDLO C#CCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000192322479 644144171 /nfs/dbraw/zinc/14/41/71/644144171.db2.gz JJJSQDPJAUMWIP-UHFFFAOYSA-N 1 2 230.315 1.902 20 30 BDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000192977870 644203870 /nfs/dbraw/zinc/20/38/70/644203870.db2.gz REYNGHXAUUJUON-JTQLQIEISA-N 1 2 249.314 1.238 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000089667572 644560301 /nfs/dbraw/zinc/56/03/01/644560301.db2.gz WFSAOIIVJTUMFD-UHFFFAOYSA-N 1 2 230.311 1.761 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001017286037 644620536 /nfs/dbraw/zinc/62/05/36/644620536.db2.gz HJLZBAVKSBQJDR-OKILXGFUSA-N 1 2 246.354 1.485 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001017286037 644620541 /nfs/dbraw/zinc/62/05/41/644620541.db2.gz HJLZBAVKSBQJDR-OKILXGFUSA-N 1 2 246.354 1.485 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000956965403 644673236 /nfs/dbraw/zinc/67/32/36/644673236.db2.gz SLRSZBNPOXVZMB-CHWSQXEVSA-N 1 2 236.359 1.609 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCO[C@H](C)C#N ZINC000801927344 644846576 /nfs/dbraw/zinc/84/65/76/644846576.db2.gz NJUZEGLKARENQT-GHMZBOCLSA-N 1 2 242.319 1.187 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCO[C@H](C)C#N ZINC000801927344 644846582 /nfs/dbraw/zinc/84/65/82/644846582.db2.gz NJUZEGLKARENQT-GHMZBOCLSA-N 1 2 242.319 1.187 20 30 BDEDLO C#CC1CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC000830345516 645120852 /nfs/dbraw/zinc/12/08/52/645120852.db2.gz GWTUSKYBPCWDSG-UHFFFAOYSA-N 1 2 232.331 1.704 20 30 BDEDLO CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C#N)c1O ZINC000926548271 645269172 /nfs/dbraw/zinc/26/91/72/645269172.db2.gz ALGSTYOQDXCFRC-NTZNESFSSA-N 1 2 246.310 1.828 20 30 BDEDLO C=C1CC[NH+](C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929603119 646196319 /nfs/dbraw/zinc/19/63/19/646196319.db2.gz GAKPXTXYTSIMBC-NSHDSACASA-N 1 2 229.345 1.216 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925979821 646551422 /nfs/dbraw/zinc/55/14/22/646551422.db2.gz SEPCUFUZIMOOCP-SNVBAGLBSA-N 1 2 249.314 1.252 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CF)C1 ZINC000711454511 712303985 /nfs/dbraw/zinc/30/39/85/712303985.db2.gz WPVYFAWNSOLQHA-UWVGGRQHSA-N 1 2 215.268 1.396 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CF)C1 ZINC000711454511 712303987 /nfs/dbraw/zinc/30/39/87/712303987.db2.gz WPVYFAWNSOLQHA-UWVGGRQHSA-N 1 2 215.268 1.396 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000712529743 712441337 /nfs/dbraw/zinc/44/13/37/712441337.db2.gz AXUOFAKDBHGEFY-NSHDSACASA-N 1 2 208.305 1.934 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000712529743 712441338 /nfs/dbraw/zinc/44/13/38/712441338.db2.gz AXUOFAKDBHGEFY-NSHDSACASA-N 1 2 208.305 1.934 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCCN2CCOC2=O)C1 ZINC000932159248 712716639 /nfs/dbraw/zinc/71/66/39/712716639.db2.gz WPDKWDSEGBOZJQ-LLVKDONJSA-N 1 2 237.303 1.064 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCc1ccns1 ZINC000719854834 712825840 /nfs/dbraw/zinc/82/58/40/712825840.db2.gz JBWOMONXYJFVNB-SECBINFHSA-N 1 2 209.318 1.920 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCc1ccns1 ZINC000719854834 712825843 /nfs/dbraw/zinc/82/58/43/712825843.db2.gz JBWOMONXYJFVNB-SECBINFHSA-N 1 2 209.318 1.920 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCCCC1 ZINC001038001568 712897848 /nfs/dbraw/zinc/89/78/48/712897848.db2.gz CBYIXCOSBDBJJQ-ZDUSSCGKSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCCCC1 ZINC001038001568 712897849 /nfs/dbraw/zinc/89/78/49/712897849.db2.gz CBYIXCOSBDBJJQ-ZDUSSCGKSA-N 1 2 234.343 1.390 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccco1 ZINC001038012365 712898178 /nfs/dbraw/zinc/89/81/78/712898178.db2.gz ZGYUDBLUNVHMJL-JTQLQIEISA-N 1 2 220.272 1.270 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccco1 ZINC001038012365 712898179 /nfs/dbraw/zinc/89/81/79/712898179.db2.gz ZGYUDBLUNVHMJL-JTQLQIEISA-N 1 2 220.272 1.270 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CCCC2)C1 ZINC001042427212 710783121 /nfs/dbraw/zinc/78/31/21/710783121.db2.gz RMHILMBIFOZXIV-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC=CC2)C1 ZINC001042562109 710790767 /nfs/dbraw/zinc/79/07/67/710790767.db2.gz GTGLVGAEVVMCSS-UHFFFAOYSA-N 1 2 234.343 1.671 20 30 BDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001042544875 710791916 /nfs/dbraw/zinc/79/19/16/710791916.db2.gz WDEKNBHINLJRCS-UHFFFAOYSA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC(F)(F)C2)C1 ZINC001042594234 710795004 /nfs/dbraw/zinc/79/50/04/710795004.db2.gz XJWMDRBIMFCCEY-UHFFFAOYSA-N 1 2 244.285 1.360 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001042624542 710795597 /nfs/dbraw/zinc/79/55/97/710795597.db2.gz PMDWYVPIZOIBJX-NSHDSACASA-N 1 2 222.332 1.361 20 30 BDEDLO CC(=[NH+]OC/C=C/Cl)c1ccc(N)nc1 ZINC000382168661 710803163 /nfs/dbraw/zinc/80/31/63/710803163.db2.gz VQNNJSFMJBPAHM-MSVOIAIGSA-N 1 2 225.679 1.987 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001043556350 710809811 /nfs/dbraw/zinc/80/98/11/710809811.db2.gz BMXWJVMJCVWSKU-UHFFFAOYSA-N 1 2 248.370 1.895 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC001043980069 710816927 /nfs/dbraw/zinc/81/69/27/710816927.db2.gz GFZFKURMMLLYBS-LBPRGKRZSA-N 1 2 234.343 1.505 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001044029963 710816993 /nfs/dbraw/zinc/81/69/93/710816993.db2.gz IFFVYBKERVEAQF-QWHCGFSZSA-N 1 2 234.343 1.361 20 30 BDEDLO C=C(Br)C[NH2+]Cc1ccc(C)nn1 ZINC000396609424 711358316 /nfs/dbraw/zinc/35/83/16/711358316.db2.gz QFXKDSRXHVSVFS-UHFFFAOYSA-N 1 2 242.120 1.783 20 30 BDEDLO CCS(=O)(=O)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397611326 711388196 /nfs/dbraw/zinc/38/81/96/711388196.db2.gz INTUILKHBAWIEW-LLVKDONJSA-N 1 2 244.360 1.047 20 30 BDEDLO CCS(=O)(=O)CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397611326 711388200 /nfs/dbraw/zinc/38/82/00/711388200.db2.gz INTUILKHBAWIEW-LLVKDONJSA-N 1 2 244.360 1.047 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038612331 710698818 /nfs/dbraw/zinc/69/88/18/710698818.db2.gz WLGSYLHNLBCNBP-CHWSQXEVSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038612331 710698821 /nfs/dbraw/zinc/69/88/21/710698821.db2.gz WLGSYLHNLBCNBP-CHWSQXEVSA-N 1 2 248.370 1.636 20 30 BDEDLO COC(C[N@H+](C)CC(C)(C)C#N)OC ZINC000714628649 711514610 /nfs/dbraw/zinc/51/46/10/711514610.db2.gz WITKHAMZBPXESP-UHFFFAOYSA-N 1 2 200.282 1.087 20 30 BDEDLO COC(C[N@@H+](C)CC(C)(C)C#N)OC ZINC000714628649 711514612 /nfs/dbraw/zinc/51/46/12/711514612.db2.gz WITKHAMZBPXESP-UHFFFAOYSA-N 1 2 200.282 1.087 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(F)(C2CC2)CC1 ZINC000724684050 711608793 /nfs/dbraw/zinc/60/87/93/711608793.db2.gz IMPIGMODEYHLAQ-LLVKDONJSA-N 1 2 241.306 1.928 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721541567 711620038 /nfs/dbraw/zinc/62/00/38/711620038.db2.gz TZATZSOWROHKBU-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000721541567 711620040 /nfs/dbraw/zinc/62/00/40/711620040.db2.gz TZATZSOWROHKBU-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO c1cn2c(cccc2CN=Nc2cccnn2)[nH+]1 ZINC000771098913 711916109 /nfs/dbraw/zinc/91/61/09/711916109.db2.gz AGHMHTIUIUOVKJ-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C(C2CC2)C2CC2)C1 ZINC001044162321 711959644 /nfs/dbraw/zinc/95/96/44/711959644.db2.gz RNTOOMFOEKXIDN-UHFFFAOYSA-N 1 2 248.370 1.751 20 30 BDEDLO Cc1cc(C#N)ccc1NC[C@H]1COCC[N@H+]1C ZINC000704022395 712096126 /nfs/dbraw/zinc/09/61/26/712096126.db2.gz JPTYSUWTXMVKLJ-ZDUSSCGKSA-N 1 2 245.326 1.609 20 30 BDEDLO Cc1cc(C#N)ccc1NC[C@H]1COCC[N@@H+]1C ZINC000704022395 712096128 /nfs/dbraw/zinc/09/61/28/712096128.db2.gz JPTYSUWTXMVKLJ-ZDUSSCGKSA-N 1 2 245.326 1.609 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715407213 712517064 /nfs/dbraw/zinc/51/70/64/712517064.db2.gz MSUNLFHFTNRQRD-VXGBXAGGSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715407213 712517065 /nfs/dbraw/zinc/51/70/65/712517065.db2.gz MSUNLFHFTNRQRD-VXGBXAGGSA-N 1 2 208.305 1.789 20 30 BDEDLO C#CC[C@H](COC)Nc1cc[nH+]c(C)n1 ZINC000716373557 712557450 /nfs/dbraw/zinc/55/74/50/712557450.db2.gz BHIVPFYWTIOYMS-SNVBAGLBSA-N 1 2 205.261 1.235 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCCN2CCOC2=O)C1 ZINC000932159248 712716636 /nfs/dbraw/zinc/71/66/36/712716636.db2.gz WPDKWDSEGBOZJQ-LLVKDONJSA-N 1 2 237.303 1.064 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cn(C)nn1 ZINC000720592194 712855991 /nfs/dbraw/zinc/85/59/91/712855991.db2.gz UMKNQXCSHGSTFH-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC ZINC001266476430 957621450 /nfs/dbraw/zinc/62/14/50/957621450.db2.gz YPMIGRMGJIVWFK-BETUJISGSA-N 1 2 234.343 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC ZINC001266476430 957621455 /nfs/dbraw/zinc/62/14/55/957621455.db2.gz YPMIGRMGJIVWFK-BETUJISGSA-N 1 2 234.343 1.485 20 30 BDEDLO Cc1noc(C[C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000933575227 958504104 /nfs/dbraw/zinc/50/41/04/958504104.db2.gz CVOKOAPXNYDMDE-NSHDSACASA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1noc(C[C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000933575227 958504118 /nfs/dbraw/zinc/50/41/18/958504118.db2.gz CVOKOAPXNYDMDE-NSHDSACASA-N 1 2 234.303 1.546 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2cocn2)CC1 ZINC001141129285 960876464 /nfs/dbraw/zinc/87/64/64/960876464.db2.gz DTIWJFSZPVWAJN-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cocn2)CC1 ZINC001141129285 960876484 /nfs/dbraw/zinc/87/64/84/960876484.db2.gz DTIWJFSZPVWAJN-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO Cc1ncoc1C[NH2+]CC1(C#N)CCC1 ZINC000895027525 963180067 /nfs/dbraw/zinc/18/00/67/963180067.db2.gz XCWIYTJPCIEUGD-UHFFFAOYSA-N 1 2 205.261 1.767 20 30 BDEDLO C[C@@H](C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156800078 963465002 /nfs/dbraw/zinc/46/50/02/963465002.db2.gz PSUXWNISDQIVJA-QMMMGPOBSA-N 1 2 214.228 1.432 20 30 BDEDLO C#C[C@H](C)Nc1cc(CC(=O)OCC)cc[nH+]1 ZINC001163161371 965275617 /nfs/dbraw/zinc/27/56/17/965275617.db2.gz HPRZHHUWAXCLDF-JTQLQIEISA-N 1 2 232.283 1.621 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001252548998 968789116 /nfs/dbraw/zinc/78/91/16/968789116.db2.gz YOZURCNVJWZFTG-ZJUUUORDSA-N 1 2 235.274 1.015 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001252548998 968789125 /nfs/dbraw/zinc/78/91/25/968789125.db2.gz YOZURCNVJWZFTG-ZJUUUORDSA-N 1 2 235.274 1.015 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001113246510 970387340 /nfs/dbraw/zinc/38/73/40/970387340.db2.gz PBMRPWFEMYNCGP-ZDUSSCGKSA-N 1 2 236.359 1.919 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)CC(F)(F)F ZINC001255661291 970442916 /nfs/dbraw/zinc/44/29/16/970442916.db2.gz BQXDVDATEWAIPA-VIFPVBQESA-N 1 2 203.207 1.896 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001332435587 975120962 /nfs/dbraw/zinc/12/09/62/975120962.db2.gz XXUOYDMCJYRIBF-OPRDCNLKSA-N 1 2 222.292 1.075 20 30 BDEDLO COC(=O)CCCC[C@H](C)[NH+]1CC(C#N)C1 ZINC001173447194 975390735 /nfs/dbraw/zinc/39/07/35/975390735.db2.gz PHDUPDGOJZBKFU-JTQLQIEISA-N 1 2 224.304 1.564 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H](C)CC)C1 ZINC001277585529 977793216 /nfs/dbraw/zinc/79/32/16/977793216.db2.gz GNVROCXXEOPIIP-NSHDSACASA-N 1 2 224.348 1.751 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233449779 978607095 /nfs/dbraw/zinc/60/70/95/978607095.db2.gz RINPENBLYWYPKZ-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233449779 978607105 /nfs/dbraw/zinc/60/71/05/978607105.db2.gz RINPENBLYWYPKZ-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO CN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CCC[C@@H]1C#N ZINC001342285392 979751834 /nfs/dbraw/zinc/75/18/34/979751834.db2.gz QFZNCNBTBAYNMX-HRDYMLBCSA-N 1 2 245.273 1.120 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1ncnn1C(C)C ZINC001351783228 982383559 /nfs/dbraw/zinc/38/35/59/982383559.db2.gz VNKHNDFJXWLYCJ-SNVBAGLBSA-N 1 2 224.308 1.150 20 30 BDEDLO C=CCC[C@@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252587782 983839955 /nfs/dbraw/zinc/83/99/55/983839955.db2.gz XBBBBKJSNAMQEY-GFCCVEGCSA-N 1 2 235.331 1.887 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)C(=O)OC ZINC001256726091 970949388 /nfs/dbraw/zinc/94/93/88/970949388.db2.gz PXEBIYOQYSLRNC-WCQYABFASA-N 1 2 248.326 1.720 20 30 BDEDLO C=C1C[C@@H]2CC([N@@H+]3CCOC(=O)C3)C[C@H](C1)C2 ZINC001257894349 971527898 /nfs/dbraw/zinc/52/78/98/971527898.db2.gz QKBDSPDDULNTCQ-FUNVUKJBSA-N 1 2 235.327 1.980 20 30 BDEDLO C=C1C[C@@H]2CC([N@H+]3CCOC(=O)C3)C[C@H](C1)C2 ZINC001257894349 971527909 /nfs/dbraw/zinc/52/79/09/971527909.db2.gz QKBDSPDDULNTCQ-FUNVUKJBSA-N 1 2 235.327 1.980 20 30 BDEDLO C[C@H]1COCC[C@H]1Nc1[nH+]cccc1CC#N ZINC001170813513 971887708 /nfs/dbraw/zinc/88/77/08/971887708.db2.gz IFIUFPDOUADJCS-CMPLNLGQSA-N 1 2 231.299 1.985 20 30 BDEDLO N#CCc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000313413594 972082706 /nfs/dbraw/zinc/08/27/06/972082706.db2.gz VZMFAHHYRJPYMI-UHFFFAOYSA-N 1 2 240.266 1.588 20 30 BDEDLO CC(C)(C)[NH+]1CC(Oc2cccnc2C#N)C1 ZINC001225670653 974637489 /nfs/dbraw/zinc/63/74/89/974637489.db2.gz LECRPQAAENFFLB-UHFFFAOYSA-N 1 2 231.299 1.815 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001038214064 958402148 /nfs/dbraw/zinc/40/21/48/958402148.db2.gz YPZKJCMBVAJNEG-GFCCVEGCSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001038214064 958402155 /nfs/dbraw/zinc/40/21/55/958402155.db2.gz YPZKJCMBVAJNEG-GFCCVEGCSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001143908713 972391748 /nfs/dbraw/zinc/39/17/48/972391748.db2.gz UFNGNTJPYZGTLO-AWEZNQCLSA-N 1 2 240.306 1.061 20 30 BDEDLO C#CC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001143908713 972391759 /nfs/dbraw/zinc/39/17/59/972391759.db2.gz UFNGNTJPYZGTLO-AWEZNQCLSA-N 1 2 240.306 1.061 20 30 BDEDLO C#CC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001143908233 972392224 /nfs/dbraw/zinc/39/22/24/972392224.db2.gz GMFVTYSNEVDLEP-UHFFFAOYSA-N 1 2 239.278 1.464 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001327126003 972424979 /nfs/dbraw/zinc/42/49/79/972424979.db2.gz BHWJAZHUGWBFBA-VXGBXAGGSA-N 1 2 231.299 1.316 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC001144007949 972456698 /nfs/dbraw/zinc/45/66/98/972456698.db2.gz BYZNTMUEQJAHRZ-SNVBAGLBSA-N 1 2 207.277 1.212 20 30 BDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CC)C1CC1 ZINC001493337911 959873675 /nfs/dbraw/zinc/87/36/75/959873675.db2.gz YVPIVIJFCZYGFE-UHFFFAOYSA-N 1 2 230.739 1.730 20 30 BDEDLO C=C(Cl)C[N@H+](CCNC(=O)CC)C1CC1 ZINC001493337911 959873678 /nfs/dbraw/zinc/87/36/78/959873678.db2.gz YVPIVIJFCZYGFE-UHFFFAOYSA-N 1 2 230.739 1.730 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC ZINC001267705600 960218093 /nfs/dbraw/zinc/21/80/93/960218093.db2.gz GNBIMXOJSYIYGY-STQMWFEESA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC ZINC001267705600 960218097 /nfs/dbraw/zinc/21/80/97/960218097.db2.gz GNBIMXOJSYIYGY-STQMWFEESA-N 1 2 248.370 1.731 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692550965 960290966 /nfs/dbraw/zinc/29/09/66/960290966.db2.gz MZIKCKJRYDQKRV-JTQLQIEISA-N 1 2 234.303 1.284 20 30 BDEDLO C=CC[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001144022670 972495212 /nfs/dbraw/zinc/49/52/12/972495212.db2.gz WRWGKUXWIZZICP-JTQLQIEISA-N 1 2 221.304 1.291 20 30 BDEDLO N#CCC1C[NH+](Cc2ccn3ccnc3c2)C1 ZINC001141042012 960831440 /nfs/dbraw/zinc/83/14/40/960831440.db2.gz BOWOIFWUDPCYQZ-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO N#Cc1ccnnc1NCCCCn1cc[nH+]c1 ZINC000123317067 961216265 /nfs/dbraw/zinc/21/62/65/961216265.db2.gz CXVMIJGRQKGFLG-UHFFFAOYSA-N 1 2 242.286 1.437 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)[C@H](C)CC)C1 ZINC001481590555 961282349 /nfs/dbraw/zinc/28/23/49/961282349.db2.gz DLNPWLJYOAWFSG-VXGBXAGGSA-N 1 2 236.359 1.492 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)/C=C\c2ccco2)C1 ZINC001268239947 961470208 /nfs/dbraw/zinc/47/02/08/961470208.db2.gz VHOZFMFDPBCNRP-WAYWQWQTSA-N 1 2 232.283 1.279 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2CC(F)C2)CC1 ZINC001142575214 961516641 /nfs/dbraw/zinc/51/66/41/961516641.db2.gz GECVCMCJMDPEPM-UHFFFAOYSA-N 1 2 226.295 1.065 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc2ccc(Cl)nn12 ZINC001142995182 961861912 /nfs/dbraw/zinc/86/19/12/961861912.db2.gz BPIBUBLVOYNRNI-UHFFFAOYSA-N 1 2 234.690 1.448 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc2ccc(Cl)nn12 ZINC001142995182 961861924 /nfs/dbraw/zinc/86/19/24/961861924.db2.gz BPIBUBLVOYNRNI-UHFFFAOYSA-N 1 2 234.690 1.448 20 30 BDEDLO N#C[C@@H]1CCCN1Cc1ccc2[nH+]ccn2c1 ZINC001143018412 961864519 /nfs/dbraw/zinc/86/45/19/961864519.db2.gz IYMSWKFUUGMYST-LBPRGKRZSA-N 1 2 226.283 1.822 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H](C)C2CC2)C1 ZINC001268492585 961875189 /nfs/dbraw/zinc/87/51/89/961875189.db2.gz YWIIIRNJKQFBBM-JTQLQIEISA-N 1 2 222.332 1.409 20 30 BDEDLO C[N@@H+]1CCC12CN(C(=O)c1cccc(C#N)c1)C2 ZINC001269714693 962770060 /nfs/dbraw/zinc/77/00/60/962770060.db2.gz AZRYCBSWIIZIPR-UHFFFAOYSA-N 1 2 241.294 1.088 20 30 BDEDLO C[N@H+]1CCC12CN(C(=O)c1cccc(C#N)c1)C2 ZINC001269714693 962770068 /nfs/dbraw/zinc/77/00/68/962770068.db2.gz AZRYCBSWIIZIPR-UHFFFAOYSA-N 1 2 241.294 1.088 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)SC)C1 ZINC001269755713 962783926 /nfs/dbraw/zinc/78/39/26/962783926.db2.gz WJRDYPTXYCSTPS-SNVBAGLBSA-N 1 2 242.388 1.457 20 30 BDEDLO N#CCc1cc[nH+]c(N[C@H]2CCCOC2)c1 ZINC001158713570 963907536 /nfs/dbraw/zinc/90/75/36/963907536.db2.gz NUUMGERJYMHEJN-NSHDSACASA-N 1 2 217.272 1.739 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(COC)cc[nH+]1 ZINC001158813155 963931045 /nfs/dbraw/zinc/93/10/45/963931045.db2.gz HNFHPPIQTHRXDK-JTQLQIEISA-N 1 2 208.261 1.187 20 30 BDEDLO C=C(C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001142508374 964339515 /nfs/dbraw/zinc/33/95/15/964339515.db2.gz VWVHMGPXFOLLQS-UHFFFAOYSA-N 1 2 202.257 1.507 20 30 BDEDLO C=C(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001142512461 964347039 /nfs/dbraw/zinc/34/70/39/964347039.db2.gz ZDRDHOANBHVHEP-SNVBAGLBSA-N 1 2 219.288 1.692 20 30 BDEDLO Cn1ncc(C#N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213027062 964435655 /nfs/dbraw/zinc/43/56/55/964435655.db2.gz GYERAFQHJDMYRH-UHFFFAOYSA-N 1 2 238.254 1.912 20 30 BDEDLO Cc1cnc(NCCCn2cc[nH+]c2)cc1C#N ZINC001161682388 964682343 /nfs/dbraw/zinc/68/23/43/964682343.db2.gz PXROTCMNJRHMBG-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO Cc1ccnc(C#N)c1NCCCn1cc[nH+]c1 ZINC001161688983 964688951 /nfs/dbraw/zinc/68/89/51/964688951.db2.gz GGUINDITABTCQX-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1NCC(=O)NC1CC1 ZINC001161892647 964811425 /nfs/dbraw/zinc/81/14/25/964811425.db2.gz SDFIJUUQUXVFNX-UHFFFAOYSA-N 1 2 245.326 1.809 20 30 BDEDLO C=C(C)c1ccc(NC[C@H]2C[N@H+](C)CCO2)nc1 ZINC001162683830 965112246 /nfs/dbraw/zinc/11/22/46/965112246.db2.gz MRWVIGZZRDVPSL-ZDUSSCGKSA-N 1 2 247.342 1.857 20 30 BDEDLO C=C(C)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001162683830 965112254 /nfs/dbraw/zinc/11/22/54/965112254.db2.gz MRWVIGZZRDVPSL-ZDUSSCGKSA-N 1 2 247.342 1.857 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162680644 965116375 /nfs/dbraw/zinc/11/63/75/965116375.db2.gz OJHNPLCOVNKXTF-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162680644 965116385 /nfs/dbraw/zinc/11/63/85/965116385.db2.gz OJHNPLCOVNKXTF-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO C#C[C@H](C)Nc1cc(N(CC)CC)nc[nH+]1 ZINC001163161021 965273824 /nfs/dbraw/zinc/27/38/24/965273824.db2.gz OLOYRKCWBGWISF-JTQLQIEISA-N 1 2 218.304 1.756 20 30 BDEDLO C#C[C@H](C)Nc1cc(N(CC)CC)[nH+]cn1 ZINC001163161021 965273840 /nfs/dbraw/zinc/27/38/40/965273840.db2.gz OLOYRKCWBGWISF-JTQLQIEISA-N 1 2 218.304 1.756 20 30 BDEDLO C#CCNc1cc[nH+]c(OCCOC)c1 ZINC001163368433 965373776 /nfs/dbraw/zinc/37/37/76/965373776.db2.gz YMIHGRQOZXSWON-UHFFFAOYSA-N 1 2 206.245 1.152 20 30 BDEDLO N#Cc1ccc(C(F)(F)F)nc1NOCC[NH3+] ZINC001164407553 965860010 /nfs/dbraw/zinc/86/00/10/965860010.db2.gz INWZBVFKOVCOPS-UHFFFAOYSA-N 1 2 246.192 1.274 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(Cl)cn1 ZINC001164642426 965938416 /nfs/dbraw/zinc/93/84/16/965938416.db2.gz WEPZIXMEYNNTSE-SECBINFHSA-N 1 2 222.679 1.037 20 30 BDEDLO C=CC[NH+]1CCN(Cc2cc(CC)no2)CC1 ZINC001203218280 966566668 /nfs/dbraw/zinc/56/66/68/966566668.db2.gz DHGQQWWSCYRWCZ-UHFFFAOYSA-N 1 2 235.331 1.541 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(C=C)CC ZINC001032606673 967006711 /nfs/dbraw/zinc/00/67/11/967006711.db2.gz YUMYIVBEQUZJHK-KCQAQPDRSA-N 1 2 246.354 1.507 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(C=C)CC ZINC001032606673 967006721 /nfs/dbraw/zinc/00/67/21/967006721.db2.gz YUMYIVBEQUZJHK-KCQAQPDRSA-N 1 2 246.354 1.507 20 30 BDEDLO Cc1[nH+]c[nH]c1CN1CCCC[C@H]1C#N ZINC001204589321 967083286 /nfs/dbraw/zinc/08/32/86/967083286.db2.gz FOZLDEQEFPANAC-JTQLQIEISA-N 1 2 204.277 1.596 20 30 BDEDLO N#Cc1cccc(C(=O)Cc2cc[nH+]c(N)c2)c1 ZINC001250289682 967625626 /nfs/dbraw/zinc/62/56/26/967625626.db2.gz YVZBYABJEHOMIK-UHFFFAOYSA-N 1 2 237.262 1.961 20 30 BDEDLO N#CC1(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC001143171715 967742397 /nfs/dbraw/zinc/74/23/97/967742397.db2.gz ZGAHTAVIMKFBAX-UHFFFAOYSA-N 1 2 226.239 1.577 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC001206233427 968157559 /nfs/dbraw/zinc/15/75/59/968157559.db2.gz YEYXUPPXEAEQMX-KXNHARMFSA-N 1 2 221.300 1.330 20 30 BDEDLO C=CC[C@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001119403741 968374657 /nfs/dbraw/zinc/37/46/57/968374657.db2.gz VLYGTEQZUVISHP-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001119403741 968374662 /nfs/dbraw/zinc/37/46/62/968374662.db2.gz VLYGTEQZUVISHP-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO N#Cc1cc(Nc2cccc3[nH+]ccn32)ccn1 ZINC001206584162 968400918 /nfs/dbraw/zinc/40/09/18/968400918.db2.gz FQGMXIYBIFANCX-UHFFFAOYSA-N 1 2 235.250 1.766 20 30 BDEDLO C[C@H](C(=O)N1CCC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC001119711390 968456191 /nfs/dbraw/zinc/45/61/91/968456191.db2.gz KGVJQADNTLBJBW-MNOVXSKESA-N 1 2 232.287 1.206 20 30 BDEDLO Cc1[nH]c(/C=C2\C(=O)c3ncnn3[C@H]2C)[nH+]c1C ZINC000822520401 968526989 /nfs/dbraw/zinc/52/69/89/968526989.db2.gz WUNXHBZLFWYFPY-ZKUGPGMGSA-N 1 2 243.270 1.459 20 30 BDEDLO Cc1[nH]c(/C=C2\C(=O)c3ncnn3[C@@H]2C)[nH+]c1C ZINC000822520399 968527005 /nfs/dbraw/zinc/52/70/05/968527005.db2.gz WUNXHBZLFWYFPY-HMXLAXJASA-N 1 2 243.270 1.459 20 30 BDEDLO C=CCOC[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252459416 968717397 /nfs/dbraw/zinc/71/73/97/968717397.db2.gz YLFCDNPROXPPFI-GFCCVEGCSA-N 1 2 247.298 1.310 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001085446930 968717867 /nfs/dbraw/zinc/71/78/67/968717867.db2.gz QAVDELXHSISZIE-NSHDSACASA-N 1 2 232.283 1.059 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001085446930 968717872 /nfs/dbraw/zinc/71/78/72/968717872.db2.gz QAVDELXHSISZIE-NSHDSACASA-N 1 2 232.283 1.059 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471234 968745472 /nfs/dbraw/zinc/74/54/72/968745472.db2.gz JSBVBJLLFHJJGH-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471234 968745479 /nfs/dbraw/zinc/74/54/79/968745479.db2.gz JSBVBJLLFHJJGH-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252549046 968786845 /nfs/dbraw/zinc/78/68/45/968786845.db2.gz ZTKOAGYVGMRGOL-UWVGGRQHSA-N 1 2 219.275 1.901 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252549046 968786849 /nfs/dbraw/zinc/78/68/49/968786849.db2.gz ZTKOAGYVGMRGOL-UWVGGRQHSA-N 1 2 219.275 1.901 20 30 BDEDLO C=C[C@](C)(O)CNc1[nH+]cccc1OCC ZINC001252543030 968778408 /nfs/dbraw/zinc/77/84/08/968778408.db2.gz LAMKALWPFDGFMJ-LBPRGKRZSA-N 1 2 222.288 1.829 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252581896 968835228 /nfs/dbraw/zinc/83/52/28/968835228.db2.gz KWGFZAZRKXOBJJ-WCQYABFASA-N 1 2 241.331 1.245 20 30 BDEDLO C=CCn1cnnc1SCc1c[nH+]cn1C ZINC001252733544 968927809 /nfs/dbraw/zinc/92/78/09/968927809.db2.gz VDBDSBCGFPYDKL-UHFFFAOYSA-N 1 2 235.316 1.490 20 30 BDEDLO COc1ncc(-c2cc[nH+]c(N)c2)cc1C#N ZINC001241163710 968943478 /nfs/dbraw/zinc/94/34/78/968943478.db2.gz YOQLQHOGXBPHFI-UHFFFAOYSA-N 1 2 226.239 1.606 20 30 BDEDLO C=C[C@@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC001253600378 969293739 /nfs/dbraw/zinc/29/37/39/969293739.db2.gz CCXOGDJXTGCWLC-SECBINFHSA-N 1 2 217.272 1.199 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1COC(=O)C1 ZINC001169119740 969414290 /nfs/dbraw/zinc/41/42/90/969414290.db2.gz HCXCAPASFVWBAR-LLVKDONJSA-N 1 2 232.283 1.846 20 30 BDEDLO C#Cc1cc(Nc2ccc(F)c(CO)c2)cc[nH+]1 ZINC001209872790 969672026 /nfs/dbraw/zinc/67/20/26/969672026.db2.gz HTBRPARZEYRCHV-UHFFFAOYSA-N 1 2 242.253 1.860 20 30 BDEDLO COCCOC1C[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254680193 969784874 /nfs/dbraw/zinc/78/48/74/969784874.db2.gz URNXQZWCLOCCQX-WDEREUQCSA-N 1 2 224.304 1.026 20 30 BDEDLO Cc1ccccc1CCC[NH+]1CC(O)(CC#N)C1 ZINC001169629855 969789131 /nfs/dbraw/zinc/78/91/31/969789131.db2.gz QNYACNXXJBKXOB-UHFFFAOYSA-N 1 2 244.338 1.888 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@H]1COCC[N@H+]1C ZINC001169652252 969800408 /nfs/dbraw/zinc/80/04/08/969800408.db2.gz XEUJCRVIXDHUMV-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@H]1COCC[N@@H+]1C ZINC001169652252 969800409 /nfs/dbraw/zinc/80/04/09/969800409.db2.gz XEUJCRVIXDHUMV-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1ccncc1 ZINC001255156811 969964486 /nfs/dbraw/zinc/96/44/86/969964486.db2.gz OFZDLXFHZIRFAJ-NWDGAFQWSA-N 1 2 219.288 1.397 20 30 BDEDLO N#CC1(c2ccc(NC=[NH2+])nc2)CCOCC1 ZINC001157077611 970073611 /nfs/dbraw/zinc/07/36/11/970073611.db2.gz GLQICVGOBYHLHC-UHFFFAOYSA-N 1 2 230.271 1.672 20 30 BDEDLO CCCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001255311786 970078032 /nfs/dbraw/zinc/07/80/32/970078032.db2.gz GJVXTFYXTDRXFG-IUCAKERBSA-N 1 2 219.350 1.626 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCCCOC)CC1 ZINC001112679148 970143763 /nfs/dbraw/zinc/14/37/63/970143763.db2.gz SJOMFBNQRBMVKX-UHFFFAOYSA-N 1 2 240.347 1.133 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170092602 970239296 /nfs/dbraw/zinc/23/92/96/970239296.db2.gz PVUKMIITXJYKBK-BBBLOLIVSA-N 1 2 231.361 1.626 20 30 BDEDLO Cc1c[nH+]cc(-n2cnc(C#N)c2N)c1C ZINC001213525459 970344271 /nfs/dbraw/zinc/34/42/71/970344271.db2.gz XWUXSWUXHFGGRO-UHFFFAOYSA-N 1 2 213.244 1.338 20 30 BDEDLO C#CCN(CC#C)c1nc(NC2CC2)c(C)c[nH+]1 ZINC001157559295 970442136 /nfs/dbraw/zinc/44/21/36/970442136.db2.gz ZIIDFCLXDWSHGG-UHFFFAOYSA-N 1 2 240.310 1.432 20 30 BDEDLO C[C@H](Cc1ccccc1F)N1CC[NH2+]C[C@H]1C#N ZINC001255846204 970519555 /nfs/dbraw/zinc/51/95/55/970519555.db2.gz MLUKTCOIDHNJNG-DGCLKSJQSA-N 1 2 247.317 1.554 20 30 BDEDLO CC[C@H]1C[C@@H]([NH2+][C@@H](CS)C(=O)OC)CCO1 ZINC001170170179 970540433 /nfs/dbraw/zinc/54/04/33/970540433.db2.gz RYFUZWCSEDBTOQ-GUBZILKMSA-N 1 2 247.360 1.005 20 30 BDEDLO C#C[C@H]1CCC[C@@H]1OCc1c[nH+]cn1C ZINC001222600104 972596314 /nfs/dbraw/zinc/59/63/14/972596314.db2.gz JIWFPSJMEBYEBF-JQWIXIFHSA-N 1 2 204.273 1.739 20 30 BDEDLO Cn1nnc2cc(C[N@@H+]3CC[C@@H](C#N)C3)ccc21 ZINC001144641314 972900928 /nfs/dbraw/zinc/90/09/28/972900928.db2.gz SOXAOYKTCSGYNG-NSHDSACASA-N 1 2 241.298 1.314 20 30 BDEDLO Cn1nnc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc21 ZINC001144641314 972900944 /nfs/dbraw/zinc/90/09/44/972900944.db2.gz SOXAOYKTCSGYNG-NSHDSACASA-N 1 2 241.298 1.314 20 30 BDEDLO COC(=O)C[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229340 973017090 /nfs/dbraw/zinc/01/70/90/973017090.db2.gz MBUWSHZBCZGKTE-NSHDSACASA-N 1 2 246.310 1.594 20 30 BDEDLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229340 973017104 /nfs/dbraw/zinc/01/71/04/973017104.db2.gz MBUWSHZBCZGKTE-NSHDSACASA-N 1 2 246.310 1.594 20 30 BDEDLO C=C(CCC(=O)OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC001146678122 973204038 /nfs/dbraw/zinc/20/40/38/973204038.db2.gz PGGRUJDCQNWBNY-UHFFFAOYSA-N 1 2 248.282 1.260 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1ccn(C)n1 ZINC001329158089 973529857 /nfs/dbraw/zinc/52/98/57/973529857.db2.gz PZFKTJTVTCTLEV-UHFFFAOYSA-N 1 2 232.291 1.644 20 30 BDEDLO Cn1cc[nH+]c1CCNC(=O)C1(C#N)CCCC1 ZINC000045136838 973868499 /nfs/dbraw/zinc/86/84/99/973868499.db2.gz NODDKDGDEGAQEL-UHFFFAOYSA-N 1 2 246.314 1.163 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225229331 974275299 /nfs/dbraw/zinc/27/52/99/974275299.db2.gz VJNMTEJUFKIBTE-KLLCGCCRSA-N 1 2 249.285 1.817 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225229331 974275315 /nfs/dbraw/zinc/27/53/15/974275315.db2.gz VJNMTEJUFKIBTE-KLLCGCCRSA-N 1 2 249.285 1.817 20 30 BDEDLO CCC(C#N)(CC)[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172174726 974431708 /nfs/dbraw/zinc/43/17/08/974431708.db2.gz QDDHKMAMYKMJBH-NWDGAFQWSA-N 1 2 249.358 1.812 20 30 BDEDLO N#CCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001331223799 974649825 /nfs/dbraw/zinc/64/98/25/974649825.db2.gz CKNGGAPYKDRXEC-JTQLQIEISA-N 1 2 232.287 1.008 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)CC#N)CC1 ZINC001172792531 974942977 /nfs/dbraw/zinc/94/29/77/974942977.db2.gz SBVJKERQOZECFG-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)CC#N)CC1 ZINC001172792531 974942983 /nfs/dbraw/zinc/94/29/83/974942983.db2.gz SBVJKERQOZECFG-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO CO[C@@H]1CCC[C@H]([NH+]2CC(C)(C#N)C2)C1 ZINC001172932439 974985657 /nfs/dbraw/zinc/98/56/57/974985657.db2.gz SEZWXSAPBKIXEN-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO C#Cc1cc(Nc2ccccc2O)cc[nH+]1 ZINC001206186929 975008962 /nfs/dbraw/zinc/00/89/62/975008962.db2.gz DWKUXFKQSBICAY-UHFFFAOYSA-N 1 2 210.236 1.934 20 30 BDEDLO CO[C@H](C[NH+]1CC(O)(CC#N)C1)C1CCCC1 ZINC001333370404 975720400 /nfs/dbraw/zinc/72/04/00/975720400.db2.gz ITFKFWLQADFMDE-GFCCVEGCSA-N 1 2 238.331 1.152 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)cnn1COC ZINC001334217505 976387418 /nfs/dbraw/zinc/38/74/18/976387418.db2.gz MSJDECXSSLVDFF-LLVKDONJSA-N 1 2 236.319 1.577 20 30 BDEDLO CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@@H](C)C#N ZINC001334611160 976566541 /nfs/dbraw/zinc/56/65/41/976566541.db2.gz OUVQJWAFLABSLZ-VHSXEESVSA-N 1 2 220.276 1.205 20 30 BDEDLO C#CC[N@@H+](Cc1c(C)cnn1COC)C1CC1 ZINC001335050836 976830993 /nfs/dbraw/zinc/83/09/93/976830993.db2.gz IQFNYDIUXNGHPU-UHFFFAOYSA-N 1 2 233.315 1.393 20 30 BDEDLO C#CC[N@H+](Cc1c(C)cnn1COC)C1CC1 ZINC001335050836 976830999 /nfs/dbraw/zinc/83/09/99/976830999.db2.gz IQFNYDIUXNGHPU-UHFFFAOYSA-N 1 2 233.315 1.393 20 30 BDEDLO N#C[C@H]1CC[C@@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC001335401797 977028999 /nfs/dbraw/zinc/02/89/99/977028999.db2.gz PBPQQTGTULSUQB-CMPLNLGQSA-N 1 2 242.286 1.388 20 30 BDEDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccncc1C#N ZINC001335674077 977220273 /nfs/dbraw/zinc/22/02/73/977220273.db2.gz OPSFEJRHKSVLEQ-LLVKDONJSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@@H]1CCOCC[N@H+]1Cc1ccncc1C#N ZINC001335674077 977220282 /nfs/dbraw/zinc/22/02/82/977220282.db2.gz OPSFEJRHKSVLEQ-LLVKDONJSA-N 1 2 231.299 1.564 20 30 BDEDLO C#Cc1cc(Nc2ccc(N(C)C)nc2)cc[nH+]1 ZINC001175338904 977386810 /nfs/dbraw/zinc/38/68/10/977386810.db2.gz QRCDKKRLGLRDID-UHFFFAOYSA-N 1 2 238.294 1.689 20 30 BDEDLO C#Cc1cc(Nc2cnc(OC)s2)cc[nH+]1 ZINC001175387605 977406206 /nfs/dbraw/zinc/40/62/06/977406206.db2.gz ZBPRQOKRTRNNCQ-UHFFFAOYSA-N 1 2 231.280 1.694 20 30 BDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001231170391 977520759 /nfs/dbraw/zinc/52/07/59/977520759.db2.gz PLEHRPJQKBZUTH-NSHDSACASA-N 1 2 228.311 1.455 20 30 BDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001231170391 977520773 /nfs/dbraw/zinc/52/07/73/977520773.db2.gz PLEHRPJQKBZUTH-NSHDSACASA-N 1 2 228.311 1.455 20 30 BDEDLO C=C(C)C(=O)Nc1ccc(OC2C[NH+](C)C2)cc1 ZINC001231314850 977566193 /nfs/dbraw/zinc/56/61/93/977566193.db2.gz GDXFHVZVPCQDOR-UHFFFAOYSA-N 1 2 246.310 1.894 20 30 BDEDLO COc1cc[nH+]c(CN2CCC[C@H]2C#N)c1 ZINC001231966241 977815670 /nfs/dbraw/zinc/81/56/70/977815670.db2.gz ADYBDTJHNRMBAY-NSHDSACASA-N 1 2 217.272 1.578 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C[C@H](CCC)OC)C(=O)OC ZINC001336758208 977925775 /nfs/dbraw/zinc/92/57/75/977925775.db2.gz PTFHOXNWRZQLSP-NWDGAFQWSA-N 1 2 243.347 1.899 20 30 BDEDLO COc1cc[nH+]cc1Nc1cnn(C)c1C#N ZINC001176118253 977944602 /nfs/dbraw/zinc/94/46/02/977944602.db2.gz DRZGLDMXDVTRSD-UHFFFAOYSA-N 1 2 229.243 1.439 20 30 BDEDLO COc1cc[nH+]cc1Nc1cnc(C#N)cn1 ZINC001176119186 977949738 /nfs/dbraw/zinc/94/97/38/977949738.db2.gz NBUIGOLIUUZBMN-UHFFFAOYSA-N 1 2 227.227 1.495 20 30 BDEDLO C#Cc1cc(Nc2cc(O)ccc2OC)cc[nH+]1 ZINC001176571277 978130711 /nfs/dbraw/zinc/13/07/11/978130711.db2.gz BDPJUBJLNGYQEL-UHFFFAOYSA-N 1 2 240.262 1.943 20 30 BDEDLO N#Cc1ccnc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001232482463 978133157 /nfs/dbraw/zinc/13/31/57/978133157.db2.gz VAXXNPPIXMRXQS-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO N#Cc1ccnc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001232482463 978133162 /nfs/dbraw/zinc/13/31/62/978133162.db2.gz VAXXNPPIXMRXQS-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO Cc1coc(NC(=O)Cc2c[nH]c[nH+]2)c1C#N ZINC001176827548 978193410 /nfs/dbraw/zinc/19/34/10/978193410.db2.gz NAYGQACVAYDRSN-UHFFFAOYSA-N 1 2 230.227 1.364 20 30 BDEDLO CO[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232677795 978245555 /nfs/dbraw/zinc/24/55/55/978245555.db2.gz JZVMCRFCHOMKNX-SNVBAGLBSA-N 1 2 246.310 1.731 20 30 BDEDLO N#Cc1ccc(O)c(C[NH+]2CC(C(F)F)C2)c1 ZINC001232681544 978249126 /nfs/dbraw/zinc/24/91/26/978249126.db2.gz PXBINYKILMTLOU-UHFFFAOYSA-N 1 2 238.237 1.961 20 30 BDEDLO CCN(CCC#N)C(=O)Cc1[nH]c[nH+]c1C ZINC001597130692 978298363 /nfs/dbraw/zinc/29/83/63/978298363.db2.gz FVHMCZYZVFOAHO-UHFFFAOYSA-N 1 2 220.276 1.023 20 30 BDEDLO CC(C)(O)c1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC001232822877 978302689 /nfs/dbraw/zinc/30/26/89/978302689.db2.gz HZJDSCLUDDYFMS-UHFFFAOYSA-N 1 2 245.326 1.654 20 30 BDEDLO C=C(C)CN(CC)C(=O)CN(C)c1cccc[nH+]1 ZINC001177412239 978349842 /nfs/dbraw/zinc/34/98/42/978349842.db2.gz MKRDNAZIDLVFIT-UHFFFAOYSA-N 1 2 247.342 1.942 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001233045132 978425792 /nfs/dbraw/zinc/42/57/92/978425792.db2.gz AUZKCEPKQOLQGG-PWSUYJOCSA-N 1 2 237.278 1.181 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001233045132 978425795 /nfs/dbraw/zinc/42/57/95/978425795.db2.gz AUZKCEPKQOLQGG-PWSUYJOCSA-N 1 2 237.278 1.181 20 30 BDEDLO CC1(O)CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233046157 978433317 /nfs/dbraw/zinc/43/33/17/978433317.db2.gz NYQGLEBVJWKEGR-UHFFFAOYSA-N 1 2 219.288 1.233 20 30 BDEDLO C[N@@H+](Cc1[nH]ccc1C#N)C[C@@H]1CCCCO1 ZINC001233047266 978436456 /nfs/dbraw/zinc/43/64/56/978436456.db2.gz UPRGCGMLARUYPI-LBPRGKRZSA-N 1 2 233.315 1.887 20 30 BDEDLO C[N@H+](Cc1[nH]ccc1C#N)C[C@@H]1CCCCO1 ZINC001233047266 978436464 /nfs/dbraw/zinc/43/64/64/978436464.db2.gz UPRGCGMLARUYPI-LBPRGKRZSA-N 1 2 233.315 1.887 20 30 BDEDLO C[C@H](C(=O)Nc1[nH]ccc1C#N)n1cc[nH+]c1 ZINC001177922420 978474059 /nfs/dbraw/zinc/47/40/59/978474059.db2.gz VBFPYSXGLPGPNC-MRVPVSSYSA-N 1 2 229.243 1.283 20 30 BDEDLO CN(CC#N)Cc1cccc2[nH+]ccn21 ZINC001233363307 978574560 /nfs/dbraw/zinc/57/45/60/978574560.db2.gz UXEJHHMMLLOAQN-UHFFFAOYSA-N 1 2 200.245 1.290 20 30 BDEDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383538 978591748 /nfs/dbraw/zinc/59/17/48/978591748.db2.gz LQRIIQMRGYWEJS-SNVBAGLBSA-N 1 2 244.294 1.817 20 30 BDEDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383538 978591751 /nfs/dbraw/zinc/59/17/51/978591751.db2.gz LQRIIQMRGYWEJS-SNVBAGLBSA-N 1 2 244.294 1.817 20 30 BDEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2O)C[C@@H](C)O1 ZINC001233382734 978593281 /nfs/dbraw/zinc/59/32/81/978593281.db2.gz HMTJGQWIYWLAAB-GHMZBOCLSA-N 1 2 246.310 1.873 20 30 BDEDLO C=C(CC)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178669882 978603717 /nfs/dbraw/zinc/60/37/17/978603717.db2.gz PXPCIMQZMOZXCA-UHFFFAOYSA-N 1 2 207.277 1.555 20 30 BDEDLO C=C(CC)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178669882 978603721 /nfs/dbraw/zinc/60/37/21/978603721.db2.gz PXPCIMQZMOZXCA-UHFFFAOYSA-N 1 2 207.277 1.555 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001339171677 978809948 /nfs/dbraw/zinc/80/99/48/978809948.db2.gz CJQDXSFZZKYFSP-NXEZZACHSA-N 1 2 207.277 1.525 20 30 BDEDLO Cc1coc(NC(=O)[C@H](C)[NH+]2CCCC2)c1C#N ZINC001180575734 978896794 /nfs/dbraw/zinc/89/67/94/978896794.db2.gz MPGHIPVNLOUXGA-JTQLQIEISA-N 1 2 247.298 1.883 20 30 BDEDLO C=CCSCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001180555183 978907817 /nfs/dbraw/zinc/90/78/17/978907817.db2.gz PDGVZPLELAEUEQ-UHFFFAOYSA-N 1 2 248.351 1.850 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001339847955 978924826 /nfs/dbraw/zinc/92/48/26/978924826.db2.gz WNMANTAZEVSMMS-MNOVXSKESA-N 1 2 219.288 1.218 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(O)cc(OCC)c1 ZINC001235401396 979035580 /nfs/dbraw/zinc/03/55/80/979035580.db2.gz OGFRTTCWCVACIQ-UHFFFAOYSA-N 1 2 243.306 1.859 20 30 BDEDLO Cc1[nH+]cn(C)c1CN1CCC[C@H]1C#N ZINC001235540454 979077376 /nfs/dbraw/zinc/07/73/76/979077376.db2.gz MVMQCULIOGNSQH-JTQLQIEISA-N 1 2 204.277 1.217 20 30 BDEDLO Cc1ncn(C)c1C[NH+]1CC(CC#N)C1 ZINC001235540790 979085708 /nfs/dbraw/zinc/08/57/08/979085708.db2.gz OPQZCKQEXURHMS-UHFFFAOYSA-N 1 2 204.277 1.074 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1noc2c1CCCC2 ZINC001341258104 979295780 /nfs/dbraw/zinc/29/57/80/979295780.db2.gz OQLARVSFAFSHGQ-UHFFFAOYSA-N 1 2 248.326 1.635 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1noc2c1CCCC2 ZINC001341258104 979295794 /nfs/dbraw/zinc/29/57/94/979295794.db2.gz OQLARVSFAFSHGQ-UHFFFAOYSA-N 1 2 248.326 1.635 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(OCC)c(F)c1 ZINC001236700538 979700203 /nfs/dbraw/zinc/70/02/03/979700203.db2.gz KVMCEISPRISFSU-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(OCC)c(F)c1 ZINC001236700538 979700209 /nfs/dbraw/zinc/70/02/09/979700209.db2.gz KVMCEISPRISFSU-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO C#CCCCNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935311 979901367 /nfs/dbraw/zinc/90/13/67/979901367.db2.gz RNNDCHJKGMVSKM-UHFFFAOYSA-N 1 2 231.299 1.126 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2c(N)ccnc2F)CC1 ZINC001238160058 980185063 /nfs/dbraw/zinc/18/50/63/980185063.db2.gz MTJKQUCYZMJRES-UHFFFAOYSA-N 1 2 248.305 1.929 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)Nc2cccnc2)CC1 ZINC001185673987 980273729 /nfs/dbraw/zinc/27/37/29/980273729.db2.gz LOMITHJFOSRWBI-UHFFFAOYSA-N 1 2 246.314 1.417 20 30 BDEDLO CCc1cc(C[NH+]2CC(C)(O)C2)ccc1C#N ZINC001238765618 980324020 /nfs/dbraw/zinc/32/40/20/980324020.db2.gz GFZAGWVGBHJYRH-UHFFFAOYSA-N 1 2 230.311 1.687 20 30 BDEDLO C#CC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001344058805 980331630 /nfs/dbraw/zinc/33/16/30/980331630.db2.gz NPUBKKYIUFMUCY-WDEREUQCSA-N 1 2 220.272 1.789 20 30 BDEDLO C=C/C(=[NH+]\COC)c1cnc2c(c1)OCCN2C ZINC001239602735 980801238 /nfs/dbraw/zinc/80/12/38/980801238.db2.gz IKSQQGDRUDDBNW-RVDMUPIBSA-N 1 2 247.298 1.489 20 30 BDEDLO C=C(CC(C)C)C(=O)NCc1[nH]c[nH+]c1C ZINC001346612308 980870274 /nfs/dbraw/zinc/87/02/74/980870274.db2.gz UZEHTVAXAWUHRW-UHFFFAOYSA-N 1 2 221.304 1.937 20 30 BDEDLO CCN(CCC#N)C(=O)CCc1[nH+]ccn1C ZINC001347375519 981063243 /nfs/dbraw/zinc/06/32/43/981063243.db2.gz RWCVXTGXSUPDBU-UHFFFAOYSA-N 1 2 234.303 1.115 20 30 BDEDLO C#CCC[N@@H+](C)[C@H](COC1CCC1)C(=O)OC ZINC001192233811 981137446 /nfs/dbraw/zinc/13/74/46/981137446.db2.gz JQZMVJUYRSWRHX-GFCCVEGCSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCC[N@H+](C)[C@H](COC1CCC1)C(=O)OC ZINC001192233811 981137448 /nfs/dbraw/zinc/13/74/48/981137448.db2.gz JQZMVJUYRSWRHX-GFCCVEGCSA-N 1 2 239.315 1.052 20 30 BDEDLO C[N@H+](Cc1cccnc1)Cc1cc(C#N)ccn1 ZINC001192967009 981220801 /nfs/dbraw/zinc/22/08/01/981220801.db2.gz ZTRNFIGKGNEVCQ-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccn1 ZINC001192967009 981220809 /nfs/dbraw/zinc/22/08/09/981220809.db2.gz ZTRNFIGKGNEVCQ-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1noc(C)n1 ZINC001193239974 981277033 /nfs/dbraw/zinc/27/70/33/981277033.db2.gz RSHCVZJNEDXXPW-QWRGUYRKSA-N 1 2 239.319 1.746 20 30 BDEDLO C=C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001348101827 981280711 /nfs/dbraw/zinc/28/07/11/981280711.db2.gz KDSUREFDFMWFNM-SECBINFHSA-N 1 2 207.277 1.043 20 30 BDEDLO CC#CC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348557267 981391405 /nfs/dbraw/zinc/39/14/05/981391405.db2.gz ATRNVEMVNJUJDP-UHFFFAOYSA-N 1 2 231.299 1.214 20 30 BDEDLO Cc1cnc(-c2ccn3cc[nH+]c3c2)c(C#N)n1 ZINC001240496358 981418371 /nfs/dbraw/zinc/41/83/71/981418371.db2.gz BVCSGXLLSXUSQN-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C=C/C(=N\COC)c1ccn2cc[nH+]c2c1 ZINC001240503832 981431822 /nfs/dbraw/zinc/43/18/22/981431822.db2.gz GYAKSKDJYUXTKS-SDNWHVSQSA-N 1 2 215.256 1.913 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC001349100697 981505106 /nfs/dbraw/zinc/50/51/06/981505106.db2.gz XTUPJEHBXLUOMF-CQSZACIVSA-N 1 2 243.310 1.730 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC001349100697 981505109 /nfs/dbraw/zinc/50/51/09/981505109.db2.gz XTUPJEHBXLUOMF-CQSZACIVSA-N 1 2 243.310 1.730 20 30 BDEDLO CCCCCCCOC(=O)NC1C[NH+](C)C1 ZINC001194013477 981532075 /nfs/dbraw/zinc/53/20/75/981532075.db2.gz ZWFWEOKCGPKSHX-UHFFFAOYSA-N 1 2 228.336 1.997 20 30 BDEDLO C#CCCCCCC(=O)NCCc1[nH+]ccn1C ZINC001350487359 981984404 /nfs/dbraw/zinc/98/44/04/981984404.db2.gz AXAWRGWUXMJSJK-UHFFFAOYSA-N 1 2 247.342 1.663 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cncnc1C#N ZINC001241244175 982389072 /nfs/dbraw/zinc/38/90/72/982389072.db2.gz VQNHARAUTPLUFK-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO C=C1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC001351962731 982413278 /nfs/dbraw/zinc/41/32/78/982413278.db2.gz YTTFYCQVRWJRSR-GFCCVEGCSA-N 1 2 248.330 1.633 20 30 BDEDLO C=C1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC001351962732 982414238 /nfs/dbraw/zinc/41/42/38/982414238.db2.gz YTTFYCQVRWJRSR-LBPRGKRZSA-N 1 2 248.330 1.633 20 30 BDEDLO C=CCC1(C(=O)NCCc2[nH+]ccn2C)CCC1 ZINC001352868945 982614188 /nfs/dbraw/zinc/61/41/88/982614188.db2.gz WQEVSXKOTOAPJA-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1ccc(C#N)nn1 ZINC001242068915 983298653 /nfs/dbraw/zinc/29/86/53/983298653.db2.gz YTIGOICJLICNTG-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)[O-] ZINC001588553980 983629308 /nfs/dbraw/zinc/62/93/08/983629308.db2.gz WWNXWTWUEHHAHE-LLVKDONJSA-N 1 2 249.314 1.338 20 30 BDEDLO C#CCOCCO[NH+]=C(N)Cc1cccs1 ZINC000853666382 983767139 /nfs/dbraw/zinc/76/71/39/983767139.db2.gz FTASSHPWNHEDOI-UHFFFAOYSA-N 1 2 238.312 1.439 20 30 BDEDLO C#Cc1ccccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274875852 984393969 /nfs/dbraw/zinc/39/39/69/984393969.db2.gz ZEJPVEUFQFKTHN-UHFFFAOYSA-N 1 2 240.306 1.198 20 30 BDEDLO C#Cc1ccccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274875852 984393980 /nfs/dbraw/zinc/39/39/80/984393980.db2.gz ZEJPVEUFQFKTHN-UHFFFAOYSA-N 1 2 240.306 1.198 20 30 BDEDLO Cc1nccc(-c2ccc[nH+]c2N)c1C#N ZINC001243477455 985034981 /nfs/dbraw/zinc/03/49/81/985034981.db2.gz OCUACFIJCFVFRC-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@@H](C)C#N)[nH+]c1C ZINC001455758412 985089222 /nfs/dbraw/zinc/08/92/22/985089222.db2.gz CBSKYACWJQIQKE-KWQFWETISA-N 1 2 246.314 1.850 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000949614102 985447785 /nfs/dbraw/zinc/44/77/85/985447785.db2.gz QZKCJEXNAKSSNS-WCQYABFASA-N 1 2 236.359 1.751 20 30 BDEDLO N#Cc1cnccc1-c1[nH+]ccc2c1CCN2 ZINC001244331422 985957776 /nfs/dbraw/zinc/95/77/76/985957776.db2.gz KEXYVEDQBQRODO-UHFFFAOYSA-N 1 2 222.251 1.983 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001253597362 986219723 /nfs/dbraw/zinc/21/97/23/986219723.db2.gz DQTZOUQDWNIQEQ-MNOVXSKESA-N 1 2 229.320 1.101 20 30 BDEDLO C[C@@H](C#N)OCCSCCn1cc[nH+]c1 ZINC000802752092 986400267 /nfs/dbraw/zinc/40/02/67/986400267.db2.gz OASDCHOROJTLDG-JTQLQIEISA-N 1 2 225.317 1.545 20 30 BDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(C)=O)C2 ZINC001096689572 986479210 /nfs/dbraw/zinc/47/92/10/986479210.db2.gz VIQZBJOSCZYXMI-MXWKQRLJSA-N 1 2 228.723 1.480 20 30 BDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(C)=O)C2 ZINC001096689572 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991339566 /nfs/dbraw/zinc/33/95/66/991339566.db2.gz WVLJLTONIWESNI-QWHCGFSZSA-N 1 2 234.274 1.381 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(Cc2ccno2)CC1 ZINC001560101590 991383945 /nfs/dbraw/zinc/38/39/45/991383945.db2.gz POIBFJBLOVZFGA-ZDUSSCGKSA-N 1 2 247.342 1.594 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cccc(O)c2)nn1 ZINC001560510165 991489834 /nfs/dbraw/zinc/48/98/34/991489834.db2.gz HRZRNEQVKVLOON-UHFFFAOYSA-N 1 2 244.298 1.460 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC(C2CC2)C2CC2)C1 ZINC001318093129 991620277 /nfs/dbraw/zinc/62/02/77/991620277.db2.gz JVKLMBQQFKHTCR-UHFFFAOYSA-N 1 2 248.370 1.799 20 30 BDEDLO C=CCC[C@@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001258725426 991662386 /nfs/dbraw/zinc/66/23/86/991662386.db2.gz LCBABEVEIRFGAM-SNVBAGLBSA-N 1 2 218.291 1.882 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001258725226 991663577 /nfs/dbraw/zinc/66/35/77/991663577.db2.gz HRIOKNQHHFBATJ-CMPLNLGQSA-N 1 2 227.304 1.263 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140540324 991666248 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992602847 /nfs/dbraw/zinc/60/28/47/992602847.db2.gz QHLTYOOJJRPDTQ-UHFFFAOYSA-N 1 2 221.304 1.108 20 30 BDEDLO CN1C[C@H](C[N@H+](C)[C@H]2CCC[C@H]2C#N)OC1=O ZINC001262017757 992607139 /nfs/dbraw/zinc/60/71/39/992607139.db2.gz LEIXGMIYYIBWBJ-DCAQKATOSA-N 1 2 237.303 1.061 20 30 BDEDLO CN1C[C@H](C[N@@H+](C)[C@H]2CCC[C@H]2C#N)OC1=O ZINC001262017757 992607147 /nfs/dbraw/zinc/60/71/47/992607147.db2.gz LEIXGMIYYIBWBJ-DCAQKATOSA-N 1 2 237.303 1.061 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1nonc1C ZINC001262203626 992800607 /nfs/dbraw/zinc/80/06/07/992800607.db2.gz YRUMCNIAAXVXHN-VXNVDRBHSA-N 1 2 211.265 1.230 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cnc(CC)o1)[C@@H]1CCCO1 ZINC001262262115 992826897 /nfs/dbraw/zinc/82/68/97/992826897.db2.gz HMJMJKWEZVGUJW-NEPJUHHUSA-N 1 2 234.299 1.507 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001263812323 993531895 /nfs/dbraw/zinc/53/18/95/993531895.db2.gz LLBDANLWLDEXDE-CYBMUJFWSA-N 1 2 248.370 1.755 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001263812323 993531900 /nfs/dbraw/zinc/53/19/00/993531900.db2.gz LLBDANLWLDEXDE-CYBMUJFWSA-N 1 2 248.370 1.755 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C ZINC001263818795 993534576 /nfs/dbraw/zinc/53/45/76/993534576.db2.gz GJGGNVPJNLREEW-NSHDSACASA-N 1 2 222.332 1.198 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C ZINC001263818795 993534587 /nfs/dbraw/zinc/53/45/87/993534587.db2.gz GJGGNVPJNLREEW-NSHDSACASA-N 1 2 222.332 1.198 20 30 BDEDLO Cc1nc(C#N)cc(NCc2ccc[nH+]c2N)n1 ZINC001307123164 995289050 /nfs/dbraw/zinc/28/90/50/995289050.db2.gz HWVCICALJWAHTH-UHFFFAOYSA-N 1 2 240.270 1.246 20 30 BDEDLO Cc1cc(C#N)nc(NCc2ccc[nH+]c2N)n1 ZINC001307123379 995289259 /nfs/dbraw/zinc/28/92/59/995289259.db2.gz KGVQXMVSMKNHLR-UHFFFAOYSA-N 1 2 240.270 1.246 20 30 BDEDLO N#CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602086025 349433652 /nfs/dbraw/zinc/43/36/52/349433652.db2.gz LWFZIYQUNPORGA-ZETCQYMHSA-N 1 2 246.192 1.016 20 30 BDEDLO CC[C@@H](C#N)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602087719 349435329 /nfs/dbraw/zinc/43/53/29/349435329.db2.gz DNSBYXQXQSBYES-NWDGAFQWSA-N 1 2 248.330 1.889 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602151663 349462007 /nfs/dbraw/zinc/46/20/07/349462007.db2.gz ANRWRDSEDLRPTF-KKFJDGPESA-N 1 2 244.298 1.322 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602151663 349462010 /nfs/dbraw/zinc/46/20/10/349462010.db2.gz ANRWRDSEDLRPTF-KKFJDGPESA-N 1 2 244.298 1.322 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCC12CC2 ZINC000602336734 349509696 /nfs/dbraw/zinc/50/96/96/349509696.db2.gz ZRPOXQHCCJIMSY-WCQYABFASA-N 1 2 249.358 1.527 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000354886864 349512773 /nfs/dbraw/zinc/51/27/73/349512773.db2.gz ZLONPNNWDJOPLI-MFKMUULPSA-N 1 2 246.314 1.254 20 30 BDEDLO C=CCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309340382 136217997 /nfs/dbraw/zinc/21/79/97/136217997.db2.gz KEJBXJMMOMDHOH-LLVKDONJSA-N 1 2 221.304 1.579 20 30 BDEDLO Cc1cc(NCc2[nH+]ccn2C)cc(C#N)n1 ZINC000308278392 178176808 /nfs/dbraw/zinc/17/68/08/178176808.db2.gz NEMMESHCQDRICJ-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)CC(C)(C)O1 ZINC000334195860 136224011 /nfs/dbraw/zinc/22/40/11/136224011.db2.gz MKHUQYXKALCQCJ-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)CC(C)(C)O1 ZINC000334195860 136224012 /nfs/dbraw/zinc/22/40/12/136224012.db2.gz MKHUQYXKALCQCJ-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000293334593 136229683 /nfs/dbraw/zinc/22/96/83/136229683.db2.gz YILDSKBHORMFAZ-ZDUSSCGKSA-N 1 2 244.338 1.819 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000293334593 136229684 /nfs/dbraw/zinc/22/96/84/136229684.db2.gz YILDSKBHORMFAZ-ZDUSSCGKSA-N 1 2 244.338 1.819 20 30 BDEDLO CC[C@]1(C)C[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576706918 365665480 /nfs/dbraw/zinc/66/54/80/365665480.db2.gz FAKUYBAVNDWDQM-RAIGVLPGSA-N 1 2 237.347 1.383 20 30 BDEDLO Cc1[nH]c(CN2CC[C@@](F)(C#N)C2)[nH+]c1C ZINC000600151010 342691259 /nfs/dbraw/zinc/69/12/59/342691259.db2.gz KALXFQLOXZHGSR-LLVKDONJSA-N 1 2 222.267 1.464 20 30 BDEDLO CC[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000336497015 342808061 /nfs/dbraw/zinc/80/80/61/342808061.db2.gz VZSIIAKDQSHJAZ-UHFFFAOYSA-N 1 2 249.339 1.397 20 30 BDEDLO Cn1c[nH+]cc1CNc1nccc(C#N)c1Cl ZINC000357596046 398290968 /nfs/dbraw/zinc/29/09/68/398290968.db2.gz KSPBZEKSVMFVHO-UHFFFAOYSA-N 1 2 247.689 1.374 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(C#N)n1 ZINC000602608028 349630648 /nfs/dbraw/zinc/63/06/48/349630648.db2.gz OFRWNSBDMHXVHF-VIFPVBQESA-N 1 2 200.245 1.203 20 30 BDEDLO COCCc1ncc(C[NH2+]C[C@H](C)C#N)s1 ZINC000602608354 349632208 /nfs/dbraw/zinc/63/22/08/349632208.db2.gz UELNBGRGBVNLNA-SECBINFHSA-N 1 2 239.344 1.581 20 30 BDEDLO CN1CC[N@H+](CCCCC(C)(C)C#N)CC1=O ZINC000234336890 342921449 /nfs/dbraw/zinc/92/14/49/342921449.db2.gz GCMNLHRYAUUQLM-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO CN1CC[N@@H+](CCCCC(C)(C)C#N)CC1=O ZINC000234336890 342921451 /nfs/dbraw/zinc/92/14/51/342921451.db2.gz GCMNLHRYAUUQLM-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO CC#CC[N@@H+](CCc1ccccc1)CC(=O)OC ZINC000154559184 398338817 /nfs/dbraw/zinc/33/88/17/398338817.db2.gz KTTVLKATAGLFGJ-UHFFFAOYSA-N 1 2 245.322 1.727 20 30 BDEDLO CC#CC[N@H+](CCc1ccccc1)CC(=O)OC ZINC000154559184 398338818 /nfs/dbraw/zinc/33/88/18/398338818.db2.gz KTTVLKATAGLFGJ-UHFFFAOYSA-N 1 2 245.322 1.727 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183706320 398344341 /nfs/dbraw/zinc/34/43/41/398344341.db2.gz VJSFFWUEJJFJRB-TUAOUCFPSA-N 1 2 243.347 1.491 20 30 BDEDLO Cc1nnsc1C[NH2+]CC1(C#N)CCC1 ZINC000602695282 349691519 /nfs/dbraw/zinc/69/15/19/349691519.db2.gz LJZPZBQYSLGXHI-UHFFFAOYSA-N 1 2 222.317 1.630 20 30 BDEDLO CC[C@H](C)[C@@H](C[NH+]1CC(C)(C#N)C1)OC ZINC000602691677 349689174 /nfs/dbraw/zinc/68/91/74/349689174.db2.gz ZIBWXTHKPSCSQM-WDEREUQCSA-N 1 2 210.321 1.893 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NCCCCC#N ZINC000493203726 529553807 /nfs/dbraw/zinc/55/38/07/529553807.db2.gz IONNDRJXTMAIHI-VOTSOKGWSA-N 1 2 246.314 1.726 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C1CC(OCC)C1)C(=O)OC ZINC000602734525 349719988 /nfs/dbraw/zinc/71/99/88/349719988.db2.gz PILIFMBKWGMEDB-MCIGGMRASA-N 1 2 241.331 1.651 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000602735654 349720630 /nfs/dbraw/zinc/72/06/30/349720630.db2.gz YWBMZMOPTBPOGW-MNOVXSKESA-N 1 2 243.372 1.979 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000602737965 349721874 /nfs/dbraw/zinc/72/18/74/349721874.db2.gz DVAWFEFXUGOJHX-DCAQKATOSA-N 1 2 229.320 1.507 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000602749290 349721894 /nfs/dbraw/zinc/72/18/94/349721894.db2.gz ZYKXHPRTOORBLP-UHFFFAOYSA-N 1 2 244.298 1.183 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)COCC)C(=O)OC ZINC000602733430 349718863 /nfs/dbraw/zinc/71/88/63/349718863.db2.gz IEGPWLJMMHNMQL-MNOVXSKESA-N 1 2 229.320 1.509 20 30 BDEDLO C=C(Cl)C[N@H+](CC(N)=O)CC(C)C ZINC000046061647 343015307 /nfs/dbraw/zinc/01/53/07/343015307.db2.gz SGUCGHDVAZSADT-UHFFFAOYSA-N 1 2 204.701 1.182 20 30 BDEDLO C=C(Cl)C[N@@H+](CC(N)=O)CC(C)C ZINC000046061647 343015308 /nfs/dbraw/zinc/01/53/08/343015308.db2.gz SGUCGHDVAZSADT-UHFFFAOYSA-N 1 2 204.701 1.182 20 30 BDEDLO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602860716 349772641 /nfs/dbraw/zinc/77/26/41/349772641.db2.gz DOVZEVOBNIFDRF-LBPRGKRZSA-N 1 2 245.326 1.503 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)c1ccccc1 ZINC000602861016 349772836 /nfs/dbraw/zinc/77/28/36/349772836.db2.gz FBRCPWNEHBRPLG-VXGBXAGGSA-N 1 2 245.326 1.930 20 30 BDEDLO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)CC#N)C1CC1 ZINC000602863211 349776781 /nfs/dbraw/zinc/77/67/81/349776781.db2.gz ODYCQPIJHJFFRT-WDEREUQCSA-N 1 2 249.358 1.668 20 30 BDEDLO COc1cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602863646 349779256 /nfs/dbraw/zinc/77/92/56/349779256.db2.gz OZURUQWIVLZUSZ-JTQLQIEISA-N 1 2 247.298 1.525 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccn1 ZINC000602842906 349780311 /nfs/dbraw/zinc/78/03/11/349780311.db2.gz RWMAZKIOVUWXSL-SNVBAGLBSA-N 1 2 232.287 1.302 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602860363 349771731 /nfs/dbraw/zinc/77/17/31/349771731.db2.gz CTIISHGZXKPFKH-UWVGGRQHSA-N 1 2 211.309 1.133 20 30 BDEDLO N#CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352682937 136264402 /nfs/dbraw/zinc/26/44/02/136264402.db2.gz RPUWJMYFJZJBQI-IUCAKERBSA-N 1 2 236.237 1.393 20 30 BDEDLO N#CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352682937 136264403 /nfs/dbraw/zinc/26/44/03/136264403.db2.gz RPUWJMYFJZJBQI-IUCAKERBSA-N 1 2 236.237 1.393 20 30 BDEDLO C=C1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000336518332 136264292 /nfs/dbraw/zinc/26/42/92/136264292.db2.gz QYYPNRCBCHRIAQ-UHFFFAOYSA-N 1 2 247.342 1.869 20 30 BDEDLO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000309068714 529660520 /nfs/dbraw/zinc/66/05/20/529660520.db2.gz APNCFKCAFNXCQQ-AEJSXWLSSA-N 1 2 210.277 1.220 20 30 BDEDLO N#Cc1nn(CCn2cc[nH+]c2)c2ccccc12 ZINC000358865676 136266823 /nfs/dbraw/zinc/26/68/23/136266823.db2.gz YQPHHWZTVSPVGP-UHFFFAOYSA-N 1 2 237.266 1.805 20 30 BDEDLO CCCN(CCC)C(=O)C[NH2+][C@H](C)CC#N ZINC000602864027 349795988 /nfs/dbraw/zinc/79/59/88/349795988.db2.gz PWBFDRHRYXEBFG-LLVKDONJSA-N 1 2 225.336 1.527 20 30 BDEDLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)CC#N ZINC000602864046 349796281 /nfs/dbraw/zinc/79/62/81/349796281.db2.gz PXSQMENJBJFEPQ-VXGBXAGGSA-N 1 2 237.347 1.669 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000073652183 343119206 /nfs/dbraw/zinc/11/92/06/343119206.db2.gz KMGLRJGLGZBHRW-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000073652183 343119208 /nfs/dbraw/zinc/11/92/08/343119208.db2.gz KMGLRJGLGZBHRW-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C[C@@H]1C[N@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000373795435 136269440 /nfs/dbraw/zinc/26/94/40/136269440.db2.gz DVVWTHUTDAABMZ-NEPJUHHUSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@@H]1C[N@@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000373795435 136269441 /nfs/dbraw/zinc/26/94/41/136269441.db2.gz DVVWTHUTDAABMZ-NEPJUHHUSA-N 1 2 224.304 1.170 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000265061685 187234726 /nfs/dbraw/zinc/23/47/26/187234726.db2.gz YYCSYYKJIRCXDT-JTQLQIEISA-N 1 2 228.723 1.482 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000265061685 187234727 /nfs/dbraw/zinc/23/47/27/187234727.db2.gz YYCSYYKJIRCXDT-JTQLQIEISA-N 1 2 228.723 1.482 20 30 BDEDLO C#CCN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264043528 187235208 /nfs/dbraw/zinc/23/52/08/187235208.db2.gz FOHQSCPHMMUDQY-UHFFFAOYSA-N 1 2 231.221 1.510 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)CCC)nn1 ZINC000640941779 362083210 /nfs/dbraw/zinc/08/32/10/362083210.db2.gz FDXFZOOXBYPGAO-NSHDSACASA-N 1 2 220.320 1.752 20 30 BDEDLO C=CCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000267108290 187235861 /nfs/dbraw/zinc/23/58/61/187235861.db2.gz QNRGINUSOALEKR-NSHDSACASA-N 1 2 221.304 1.744 20 30 BDEDLO C#CC[N@@H+](CC)Cc1ccn(C(C)C)n1 ZINC000266916928 187235947 /nfs/dbraw/zinc/23/59/47/187235947.db2.gz KSZXPMJTSJOOEC-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO C#CC[N@H+](CC)Cc1ccn(C(C)C)n1 ZINC000266916928 187235949 /nfs/dbraw/zinc/23/59/49/187235949.db2.gz KSZXPMJTSJOOEC-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO COc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602866944 349798601 /nfs/dbraw/zinc/79/86/01/349798601.db2.gz AHHCTWATTNRZED-SNVBAGLBSA-N 1 2 247.298 1.525 20 30 BDEDLO C#CCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000271419584 187236742 /nfs/dbraw/zinc/23/67/42/187236742.db2.gz LSMKZHPXJXCEQV-UHFFFAOYSA-N 1 2 219.288 1.528 20 30 BDEDLO N#CCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231642369 136270723 /nfs/dbraw/zinc/27/07/23/136270723.db2.gz VIONEYQEUJRJCH-UHFFFAOYSA-N 1 2 231.255 1.021 20 30 BDEDLO CC[C@@H](NC(=O)CSCC#N)c1[nH]cc[nH+]1 ZINC000125320170 136271433 /nfs/dbraw/zinc/27/14/33/136271433.db2.gz CGJVDERRKZHZMO-MRVPVSSYSA-N 1 2 238.316 1.234 20 30 BDEDLO Cc1oc(NC(=O)C[NH+]2CCCC2)c(C#N)c1C ZINC000048404341 343258871 /nfs/dbraw/zinc/25/88/71/343258871.db2.gz GLTAXJGUQUBIRS-UHFFFAOYSA-N 1 2 247.298 1.802 20 30 BDEDLO N#Cc1ccnc(NCCCn2cc[nH+]c2)c1 ZINC000020368559 187253946 /nfs/dbraw/zinc/25/39/46/187253946.db2.gz GKALRKIVUCPQKU-UHFFFAOYSA-N 1 2 227.271 1.652 20 30 BDEDLO COc1cc(C)[nH+]c(CN[C@H](C)CC#N)c1 ZINC000134972333 343325167 /nfs/dbraw/zinc/32/51/67/343325167.db2.gz JVOUDTFPHCRTFN-SECBINFHSA-N 1 2 219.288 1.790 20 30 BDEDLO COc1cc(C)nc(C[NH2+][C@H](C)CC#N)c1 ZINC000134972333 343325169 /nfs/dbraw/zinc/32/51/69/343325169.db2.gz JVOUDTFPHCRTFN-SECBINFHSA-N 1 2 219.288 1.790 20 30 BDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584056364 343308213 /nfs/dbraw/zinc/30/82/13/343308213.db2.gz NMVSKOSXDBHNEL-DGCLKSJQSA-N 1 2 248.330 1.889 20 30 BDEDLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(C#N)cs1 ZINC000335675416 136318337 /nfs/dbraw/zinc/31/83/37/136318337.db2.gz MNKCHRTTYLABQS-YUMQZZPRSA-N 1 2 207.302 1.997 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@@H]2COC(C)(C)C2)nn1 ZINC000641089471 362213936 /nfs/dbraw/zinc/21/39/36/362213936.db2.gz OIIOVEUHNUIMOQ-LBPRGKRZSA-N 1 2 248.330 1.131 20 30 BDEDLO C[C@H](C#N)CN(C)Cc1cn2ccccc2[nH+]1 ZINC000042324257 343434473 /nfs/dbraw/zinc/43/44/73/343434473.db2.gz PJDWDWMRKGNRAF-LLVKDONJSA-N 1 2 228.299 1.926 20 30 BDEDLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000329322621 136364881 /nfs/dbraw/zinc/36/48/81/136364881.db2.gz HCRFBDICYTVODR-JTQLQIEISA-N 1 2 247.298 1.381 20 30 BDEDLO C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000329399808 136365404 /nfs/dbraw/zinc/36/54/04/136365404.db2.gz XMYODQGQIPGZBF-GFCCVEGCSA-N 1 2 237.303 1.868 20 30 BDEDLO C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000329399808 136365405 /nfs/dbraw/zinc/36/54/05/136365405.db2.gz XMYODQGQIPGZBF-GFCCVEGCSA-N 1 2 237.303 1.868 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC1CCC1 ZINC000580557720 365762448 /nfs/dbraw/zinc/76/24/48/365762448.db2.gz VSNVETPUTLRBSZ-ZDUSSCGKSA-N 1 2 237.347 1.527 20 30 BDEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)ccc1C#N ZINC000335873367 344035540 /nfs/dbraw/zinc/03/55/40/344035540.db2.gz LBNQQXZDCKTJTC-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)ccc1C#N ZINC000335873367 344035544 /nfs/dbraw/zinc/03/55/44/344035544.db2.gz LBNQQXZDCKTJTC-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153604524 537804296 /nfs/dbraw/zinc/80/42/96/537804296.db2.gz YUMUVIGHNKDVLT-VHSXEESVSA-N 1 2 219.288 1.136 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974924 349839500 /nfs/dbraw/zinc/83/95/00/349839500.db2.gz VWBDXDAJEAITED-TUAOUCFPSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974924 349839503 /nfs/dbraw/zinc/83/95/03/349839503.db2.gz VWBDXDAJEAITED-TUAOUCFPSA-N 1 2 237.347 1.525 20 30 BDEDLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602977021 349842151 /nfs/dbraw/zinc/84/21/51/349842151.db2.gz WRMFSWASIWHJRQ-MNOVXSKESA-N 1 2 237.347 1.525 20 30 BDEDLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602977021 349842152 /nfs/dbraw/zinc/84/21/52/349842152.db2.gz WRMFSWASIWHJRQ-MNOVXSKESA-N 1 2 237.347 1.525 20 30 BDEDLO Cc1nccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602979300 349844455 /nfs/dbraw/zinc/84/44/55/349844455.db2.gz BUCQZNSNMIHNHM-YPMHNXCESA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1nccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602979300 349844458 /nfs/dbraw/zinc/84/44/58/349844458.db2.gz BUCQZNSNMIHNHM-YPMHNXCESA-N 1 2 230.315 1.909 20 30 BDEDLO CN1C[C@@H](C[N@H+](CCC#N)CC2CC2)OC1=O ZINC000496774924 529816969 /nfs/dbraw/zinc/81/69/69/529816969.db2.gz FRHTYMOJTSFSBK-NSHDSACASA-N 1 2 237.303 1.063 20 30 BDEDLO CN1C[C@@H](C[N@@H+](CCC#N)CC2CC2)OC1=O ZINC000496774924 529816970 /nfs/dbraw/zinc/81/69/70/529816970.db2.gz FRHTYMOJTSFSBK-NSHDSACASA-N 1 2 237.303 1.063 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1 ZINC000037908758 343749753 /nfs/dbraw/zinc/74/97/53/343749753.db2.gz KKQLAZYZKQBDQD-LLVKDONJSA-N 1 2 231.299 1.195 20 30 BDEDLO CCC[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602474033 343762012 /nfs/dbraw/zinc/76/20/12/343762012.db2.gz OKICFPTYACLAJU-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CCC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602474033 343762014 /nfs/dbraw/zinc/76/20/14/343762014.db2.gz OKICFPTYACLAJU-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC#N ZINC000495708903 529892713 /nfs/dbraw/zinc/89/27/13/529892713.db2.gz XTMMZMQEIWHVIY-SNVBAGLBSA-N 1 2 225.292 1.111 20 30 BDEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CCC#N ZINC000495708903 529892714 /nfs/dbraw/zinc/89/27/14/529892714.db2.gz XTMMZMQEIWHVIY-SNVBAGLBSA-N 1 2 225.292 1.111 20 30 BDEDLO CCO[C@@H]1C[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000393634065 343903348 /nfs/dbraw/zinc/90/33/48/343903348.db2.gz RWGYSAKVKZGOIK-RKDXNWHRSA-N 1 2 223.301 1.282 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000157064663 343907248 /nfs/dbraw/zinc/90/72/48/343907248.db2.gz RDTGENOPPGSQOW-QWRGUYRKSA-N 1 2 223.320 1.279 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)[nH+]cc1C ZINC000577191254 343912368 /nfs/dbraw/zinc/91/23/68/343912368.db2.gz GEDWWJFUNMMBCX-OLZOCXBDSA-N 1 2 247.342 1.908 20 30 BDEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000625701344 344042429 /nfs/dbraw/zinc/04/24/29/344042429.db2.gz JHHYFRJGXJINBV-JTQLQIEISA-N 1 2 237.303 1.614 20 30 BDEDLO C=CC[C@H]1CC[N@H+](Cc2noc(COC)n2)C1 ZINC000625701344 344042430 /nfs/dbraw/zinc/04/24/30/344042430.db2.gz JHHYFRJGXJINBV-JTQLQIEISA-N 1 2 237.303 1.614 20 30 BDEDLO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccn(C)n1 ZINC000602688004 343962000 /nfs/dbraw/zinc/96/20/00/343962000.db2.gz UHZYAUNMTBSNCD-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO CN(C)c1ccc(Nc2cnc(C#N)cn2)c[nH+]1 ZINC000133067340 187287033 /nfs/dbraw/zinc/28/70/33/187287033.db2.gz VZZMVUVGEYEUNZ-UHFFFAOYSA-N 1 2 240.270 1.553 20 30 BDEDLO CC#CCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000180623410 347035005 /nfs/dbraw/zinc/03/50/05/347035005.db2.gz IGKKVNBSHHQDNX-UHFFFAOYSA-N 1 2 218.256 1.355 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCCC12CC2)C(=O)OC ZINC000600616568 344337811 /nfs/dbraw/zinc/33/78/11/344337811.db2.gz YNMNWYZRHNYTJG-QWRGUYRKSA-N 1 2 223.316 1.884 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@H]1CCCOC1)C(=O)OC ZINC000600601548 344338311 /nfs/dbraw/zinc/33/83/11/344338311.db2.gz GAOAQWVBPHWKTR-MNOVXSKESA-N 1 2 227.304 1.120 20 30 BDEDLO Cn1c2cc(C[N@H+](C)CCC#N)ccc2oc1=O ZINC000258996241 344524353 /nfs/dbraw/zinc/52/43/53/344524353.db2.gz YFNDRLPYFPTHHG-UHFFFAOYSA-N 1 2 245.282 1.477 20 30 BDEDLO Cn1c2cc(C[N@@H+](C)CCC#N)ccc2oc1=O ZINC000258996241 344524355 /nfs/dbraw/zinc/52/43/55/344524355.db2.gz YFNDRLPYFPTHHG-UHFFFAOYSA-N 1 2 245.282 1.477 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000289332126 344707197 /nfs/dbraw/zinc/70/71/97/344707197.db2.gz GWVQGTCUVLSXDO-SSDOTTSWSA-N 1 2 242.120 1.294 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626066241 344710182 /nfs/dbraw/zinc/71/01/82/344710182.db2.gz BNPWYHRIXXAECA-ONGXEEELSA-N 1 2 233.315 1.445 20 30 BDEDLO CC(C)[N@H+](CCC#N)Cc1cnn(C)c1 ZINC000048439912 187293584 /nfs/dbraw/zinc/29/35/84/187293584.db2.gz FHPYHUJEWFWXRP-UHFFFAOYSA-N 1 2 206.293 1.544 20 30 BDEDLO CC(C)[N@@H+](CCC#N)Cc1cnn(C)c1 ZINC000048439912 187293586 /nfs/dbraw/zinc/29/35/86/187293586.db2.gz FHPYHUJEWFWXRP-UHFFFAOYSA-N 1 2 206.293 1.544 20 30 BDEDLO C[N@H+](CCC#N)[C@H]1Cc2ccccc2[C@@H]1O ZINC000119461583 344850234 /nfs/dbraw/zinc/85/02/34/344850234.db2.gz HKXZNYLHXMLXQF-STQMWFEESA-N 1 2 216.284 1.490 20 30 BDEDLO C[N@@H+](CCC#N)[C@H]1Cc2ccccc2[C@@H]1O ZINC000119461583 344850238 /nfs/dbraw/zinc/85/02/38/344850238.db2.gz HKXZNYLHXMLXQF-STQMWFEESA-N 1 2 216.284 1.490 20 30 BDEDLO C=C(C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583385448 344866826 /nfs/dbraw/zinc/86/68/26/344866826.db2.gz HLUVOFQMYMNXRD-JTQLQIEISA-N 1 2 207.277 1.527 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121506436 344927639 /nfs/dbraw/zinc/92/76/39/344927639.db2.gz BAZMHBKFPRRCCZ-UHFFFAOYSA-N 1 2 249.270 1.651 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121506436 344927642 /nfs/dbraw/zinc/92/76/42/344927642.db2.gz BAZMHBKFPRRCCZ-UHFFFAOYSA-N 1 2 249.270 1.651 20 30 BDEDLO CC#CCC[N@@H+](CC(=O)OCC)C1CC1 ZINC000157054032 187297755 /nfs/dbraw/zinc/29/77/55/187297755.db2.gz YLKMSKKBWIVZBY-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO CC#CCC[N@H+](CC(=O)OCC)C1CC1 ZINC000157054032 187297756 /nfs/dbraw/zinc/29/77/56/187297756.db2.gz YLKMSKKBWIVZBY-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC)CC1 ZINC000079391165 344962276 /nfs/dbraw/zinc/96/22/76/344962276.db2.gz VEZXIYOZCBJJDB-UHFFFAOYSA-N 1 2 230.739 1.683 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000079391165 344962277 /nfs/dbraw/zinc/96/22/77/344962277.db2.gz VEZXIYOZCBJJDB-UHFFFAOYSA-N 1 2 230.739 1.683 20 30 BDEDLO Cc1cc(N[C@H]2CCC[C@@H]2CCO)c(C#N)c[nH+]1 ZINC000425243386 192084938 /nfs/dbraw/zinc/08/49/38/192084938.db2.gz QHMQXRFRJTXIQX-YPMHNXCESA-N 1 2 245.326 1.647 20 30 BDEDLO Cc1cc(NC[C@H]2CCOC[C@H]2C)c(C#N)c[nH+]1 ZINC000425252805 192085449 /nfs/dbraw/zinc/08/54/49/192085449.db2.gz JJPUBTGMYSCWBN-ZYHUDNBSSA-N 1 2 245.326 1.768 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000070078904 345339315 /nfs/dbraw/zinc/33/93/15/345339315.db2.gz YXBUNTILKFXPSY-SNVBAGLBSA-N 1 2 214.272 1.545 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000070078904 345339316 /nfs/dbraw/zinc/33/93/16/345339316.db2.gz YXBUNTILKFXPSY-SNVBAGLBSA-N 1 2 214.272 1.545 20 30 BDEDLO Cc1cc(N2CC3(C2)CCCOC3)c(C#N)c[nH+]1 ZINC000425272474 192087375 /nfs/dbraw/zinc/08/73/75/192087375.db2.gz WYXCNWCNDFDNTD-UHFFFAOYSA-N 1 2 243.310 1.879 20 30 BDEDLO C=C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635503241 345403808 /nfs/dbraw/zinc/40/38/08/345403808.db2.gz IARFMLRABLAWFS-GHMZBOCLSA-N 1 2 231.299 1.692 20 30 BDEDLO C=C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635503241 345403809 /nfs/dbraw/zinc/40/38/09/345403809.db2.gz IARFMLRABLAWFS-GHMZBOCLSA-N 1 2 231.299 1.692 20 30 BDEDLO N#CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082275232 345500709 /nfs/dbraw/zinc/50/07/09/345500709.db2.gz XSTTZEBJTMYRFU-SECBINFHSA-N 1 2 218.260 1.377 20 30 BDEDLO CC(=O)NC[C@@H]1CCC[N@@H+](C(C)(C)C#N)C1 ZINC000160715573 345507601 /nfs/dbraw/zinc/50/76/01/345507601.db2.gz MWZDKAXQXHTPIJ-NSHDSACASA-N 1 2 223.320 1.137 20 30 BDEDLO CC(=O)NC[C@@H]1CCC[N@H+](C(C)(C)C#N)C1 ZINC000160715573 345507602 /nfs/dbraw/zinc/50/76/02/345507602.db2.gz MWZDKAXQXHTPIJ-NSHDSACASA-N 1 2 223.320 1.137 20 30 BDEDLO Cc1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000136069902 345473287 /nfs/dbraw/zinc/47/32/87/345473287.db2.gz XCCVDXKOUDVYMV-UHFFFAOYSA-N 1 2 208.261 1.166 20 30 BDEDLO CNC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000081517645 345476216 /nfs/dbraw/zinc/47/62/16/345476216.db2.gz NGRHBGDWUODAMV-UHFFFAOYSA-N 1 2 235.287 1.131 20 30 BDEDLO CNC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000081517645 345476218 /nfs/dbraw/zinc/47/62/18/345476218.db2.gz NGRHBGDWUODAMV-UHFFFAOYSA-N 1 2 235.287 1.131 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000378787162 345568952 /nfs/dbraw/zinc/56/89/52/345568952.db2.gz KNUMYESTRCLRSZ-NWDGAFQWSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000378787162 345568956 /nfs/dbraw/zinc/56/89/56/345568956.db2.gz KNUMYESTRCLRSZ-NWDGAFQWSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000359828052 345602082 /nfs/dbraw/zinc/60/20/82/345602082.db2.gz COPUVQWJRWEDDE-NWDGAFQWSA-N 1 2 241.331 1.510 20 30 BDEDLO C[C@@H](NC(=O)C1(C#N)CCC1)c1[nH]cc[nH+]1 ZINC000139669484 345800680 /nfs/dbraw/zinc/80/06/80/345800680.db2.gz AEGZESUJWVSBKI-MRVPVSSYSA-N 1 2 218.260 1.281 20 30 BDEDLO C=CC[C@@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635575635 345837962 /nfs/dbraw/zinc/83/79/62/345837962.db2.gz JLMILUCFLFYOBS-SECBINFHSA-N 1 2 221.304 1.595 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000037981943 187318591 /nfs/dbraw/zinc/31/85/91/187318591.db2.gz DKVDHZBNLQLRPZ-UHFFFAOYSA-N 1 2 246.285 1.217 20 30 BDEDLO Cc1cc(NC(=O)C(C)(C)C#N)c(C)c[nH+]1 ZINC000534300023 323115923 /nfs/dbraw/zinc/11/59/23/323115923.db2.gz IZVOYLGGIIARRJ-UHFFFAOYSA-N 1 2 217.272 1.609 20 30 BDEDLO Cc1nc(NC(C)(C)c2[nH]cc[nH+]2)ccc1C#N ZINC000603406623 349957286 /nfs/dbraw/zinc/95/72/86/349957286.db2.gz MPZUSCUSFHMFNE-UHFFFAOYSA-N 1 2 241.298 1.754 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1ccnc(C#N)c1)CC2 ZINC000588014724 346619571 /nfs/dbraw/zinc/61/95/71/346619571.db2.gz RKTNQVMQJSMLEY-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580210006 346676902 /nfs/dbraw/zinc/67/69/02/346676902.db2.gz IYCOKBILSAVDAC-NSHDSACASA-N 1 2 248.330 1.739 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580210006 346676903 /nfs/dbraw/zinc/67/69/03/346676903.db2.gz IYCOKBILSAVDAC-NSHDSACASA-N 1 2 248.330 1.739 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC(C)(C)C ZINC000589826919 346741696 /nfs/dbraw/zinc/74/16/96/346741696.db2.gz FGIKQZXXCPRNAM-LBPRGKRZSA-N 1 2 225.336 1.383 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000577182786 365864297 /nfs/dbraw/zinc/86/42/97/365864297.db2.gz XPCAKUINYRYZRX-UHFFFAOYSA-N 1 2 234.303 1.026 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCn1ccccc1=O ZINC000167795017 347168706 /nfs/dbraw/zinc/16/87/06/347168706.db2.gz PURIEDSKGBFLIG-LLVKDONJSA-N 1 2 219.288 1.082 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCn1ccccc1=O ZINC000167795017 347168708 /nfs/dbraw/zinc/16/87/08/347168708.db2.gz PURIEDSKGBFLIG-LLVKDONJSA-N 1 2 219.288 1.082 20 30 BDEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC#N ZINC000363923848 347185099 /nfs/dbraw/zinc/18/50/99/347185099.db2.gz SRQHSMNKYYPVDK-GFCCVEGCSA-N 1 2 218.304 1.779 20 30 BDEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC#N ZINC000363923848 347185102 /nfs/dbraw/zinc/18/51/02/347185102.db2.gz SRQHSMNKYYPVDK-GFCCVEGCSA-N 1 2 218.304 1.779 20 30 BDEDLO CC#CCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000185011714 347188347 /nfs/dbraw/zinc/18/83/47/347188347.db2.gz OEFPLXSLSKMAPK-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO CC#CCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000185011714 347188351 /nfs/dbraw/zinc/18/83/51/347188351.db2.gz OEFPLXSLSKMAPK-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@H](CO)O1 ZINC000310601503 347298968 /nfs/dbraw/zinc/29/89/68/347298968.db2.gz RGDZOQJHMYZTTK-DZGCQCFKSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H](CO)O1 ZINC000310601503 347298970 /nfs/dbraw/zinc/29/89/70/347298970.db2.gz RGDZOQJHMYZTTK-DZGCQCFKSA-N 1 2 245.322 1.120 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2SCCC#N ZINC000011675956 347464557 /nfs/dbraw/zinc/46/45/57/347464557.db2.gz XDYJTTAEZGLRPH-UHFFFAOYSA-N 1 2 219.273 1.369 20 30 BDEDLO CC#CCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928027 347467188 /nfs/dbraw/zinc/46/71/88/347467188.db2.gz WCXKRYUSADJZOE-UHFFFAOYSA-N 1 2 219.288 1.562 20 30 BDEDLO CC#CCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928027 347467191 /nfs/dbraw/zinc/46/71/91/347467191.db2.gz WCXKRYUSADJZOE-UHFFFAOYSA-N 1 2 219.288 1.562 20 30 BDEDLO N#CC1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000590833373 347571276 /nfs/dbraw/zinc/57/12/76/347571276.db2.gz QOVBYSQXFYYUIO-UHFFFAOYSA-N 1 2 241.254 1.322 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364891802 347582594 /nfs/dbraw/zinc/58/25/94/347582594.db2.gz DOPSXWTYDTVQAM-WDEREUQCSA-N 1 2 246.314 1.254 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364891800 347582686 /nfs/dbraw/zinc/58/26/86/347582686.db2.gz DOPSXWTYDTVQAM-MNOVXSKESA-N 1 2 246.314 1.254 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)C(=O)OC ZINC000591375064 347649584 /nfs/dbraw/zinc/64/95/84/347649584.db2.gz JSGSHSTWCJLAPB-GARJFASQSA-N 1 2 211.305 1.596 20 30 BDEDLO CC(C)(C#N)C[NH2+]C[C@@H](C#N)CCC#N ZINC000591759794 347692736 /nfs/dbraw/zinc/69/27/36/347692736.db2.gz WETQNGSXXGNJTO-SNVBAGLBSA-N 1 2 204.277 1.569 20 30 BDEDLO Cc1cnc(C[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000591744884 347695159 /nfs/dbraw/zinc/69/51/59/347695159.db2.gz HLIAVYISAWESLB-SNVBAGLBSA-N 1 2 234.328 1.985 20 30 BDEDLO Cc1cc(N2C[C@@H]3COC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000591824748 347702101 /nfs/dbraw/zinc/70/21/01/347702101.db2.gz RTZISMDMXGWJNY-TXEJJXNPSA-N 1 2 229.283 1.344 20 30 BDEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c(C#N)c[nH+]1 ZINC000591827977 347702640 /nfs/dbraw/zinc/70/26/40/347702640.db2.gz HLLPDBUNOHIDPP-CMPLNLGQSA-N 1 2 226.283 1.788 20 30 BDEDLO CC[C@@H](C)C[C@H](CO)Nc1cc(C)[nH+]cc1C#N ZINC000591981670 347720689 /nfs/dbraw/zinc/72/06/89/347720689.db2.gz MTLQXMHGUJATJG-ZWNOBZJWSA-N 1 2 247.342 1.893 20 30 BDEDLO CCc1cnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150716 347741901 /nfs/dbraw/zinc/74/19/01/347741901.db2.gz HQEZMJJOOIDWHP-LBPRGKRZSA-N 1 2 235.287 1.087 20 30 BDEDLO CCc1cnc(C[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150716 347741902 /nfs/dbraw/zinc/74/19/02/347741902.db2.gz HQEZMJJOOIDWHP-LBPRGKRZSA-N 1 2 235.287 1.087 20 30 BDEDLO Cc1cn2c([nH+]1)CN([C@H](C)CCC#N)CC2 ZINC000593022719 347846715 /nfs/dbraw/zinc/84/67/15/347846715.db2.gz JBEWCRVCBZDIRK-LLVKDONJSA-N 1 2 218.304 1.699 20 30 BDEDLO Cc1cccc2[nH+]c(CCNC(=O)CC#N)cn21 ZINC000592939757 347832426 /nfs/dbraw/zinc/83/24/26/347832426.db2.gz XSDIIYZCURFZRI-UHFFFAOYSA-N 1 2 242.282 1.215 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC(C)(F)F ZINC000593155282 347867065 /nfs/dbraw/zinc/86/70/65/347867065.db2.gz JIFADMLUJSFMJX-JTQLQIEISA-N 1 2 247.289 1.382 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593110554 347861147 /nfs/dbraw/zinc/86/11/47/347861147.db2.gz AOXDCDFEWUQNPP-NWDGAFQWSA-N 1 2 248.330 1.889 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCCC#N ZINC000594024151 347991473 /nfs/dbraw/zinc/99/14/73/347991473.db2.gz DBNVWMLHVNNCJB-LBPRGKRZSA-N 1 2 236.319 1.030 20 30 BDEDLO Cn1c[nH+]cc1CN1Cc2ccc(C#N)cc2C1 ZINC000594028302 347992059 /nfs/dbraw/zinc/99/20/59/347992059.db2.gz MDHWVQYLGFSVJN-UHFFFAOYSA-N 1 2 238.294 1.808 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593986974 347979696 /nfs/dbraw/zinc/97/96/96/347979696.db2.gz BTSCPNYMDQWBNP-CHWSQXEVSA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593986974 347979698 /nfs/dbraw/zinc/97/96/98/347979698.db2.gz BTSCPNYMDQWBNP-CHWSQXEVSA-N 1 2 246.310 1.599 20 30 BDEDLO CC1(C)C[NH+](CC(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000594339701 348036003 /nfs/dbraw/zinc/03/60/03/348036003.db2.gz VBJRFWIILMHITO-AWEZNQCLSA-N 1 2 249.358 1.480 20 30 BDEDLO C=CCOCCC[NH2+][C@@H](CC)C(=O)OC ZINC000594724690 348108100 /nfs/dbraw/zinc/10/81/00/348108100.db2.gz GCTFHEWMWMVXCZ-JTQLQIEISA-N 1 2 215.293 1.120 20 30 BDEDLO C=C[C@@H]([NH2+]CCC(C)(C)F)C(=O)OC ZINC000594728384 348112917 /nfs/dbraw/zinc/11/29/17/348112917.db2.gz NPZDUUGHUDMYEO-MRVPVSSYSA-N 1 2 203.257 1.442 20 30 BDEDLO COC[C@@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000595328653 348227645 /nfs/dbraw/zinc/22/76/45/348227645.db2.gz JYWQAIRYDZUFPU-GFCCVEGCSA-N 1 2 226.320 1.416 20 30 BDEDLO COC[C@@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000595328653 348227646 /nfs/dbraw/zinc/22/76/46/348227646.db2.gz JYWQAIRYDZUFPU-GFCCVEGCSA-N 1 2 226.320 1.416 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000595401305 348238310 /nfs/dbraw/zinc/23/83/10/348238310.db2.gz FCPNBHLBLPCLKH-NXEZZACHSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000595401305 348238312 /nfs/dbraw/zinc/23/83/12/348238312.db2.gz FCPNBHLBLPCLKH-NXEZZACHSA-N 1 2 204.277 1.534 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccncc1C#N ZINC000595402420 348238996 /nfs/dbraw/zinc/23/89/96/348238996.db2.gz ZIZXYSLUCUYVRJ-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000389627636 538000133 /nfs/dbraw/zinc/00/01/33/538000133.db2.gz LBSJPPHCKQJAIU-DTWKUNHWSA-N 1 2 207.277 1.831 20 30 BDEDLO C[C@@H](C#N)CN(Cc1cn(C)c[nH+]1)C1CC1 ZINC000595390044 348243986 /nfs/dbraw/zinc/24/39/86/348243986.db2.gz SYWKTLNDSMJDKH-JTQLQIEISA-N 1 2 218.304 1.544 20 30 BDEDLO C[N@@H+](CCC#N)CCO[C@@H]1CC1(F)F ZINC000595347382 348236450 /nfs/dbraw/zinc/23/64/50/348236450.db2.gz TXSIHAZNSRQXNV-MRVPVSSYSA-N 1 2 204.220 1.256 20 30 BDEDLO C[N@H+](CCC#N)CCO[C@@H]1CC1(F)F ZINC000595347382 348236452 /nfs/dbraw/zinc/23/64/52/348236452.db2.gz TXSIHAZNSRQXNV-MRVPVSSYSA-N 1 2 204.220 1.256 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000595501466 348263899 /nfs/dbraw/zinc/26/38/99/348263899.db2.gz KLFUVFKMFYERFA-JTQLQIEISA-N 1 2 230.258 1.812 20 30 BDEDLO C=CC[N@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000595501466 348263901 /nfs/dbraw/zinc/26/39/01/348263901.db2.gz KLFUVFKMFYERFA-JTQLQIEISA-N 1 2 230.258 1.812 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595622440 348291025 /nfs/dbraw/zinc/29/10/25/348291025.db2.gz AORBXMZQPPKIPL-GHMZBOCLSA-N 1 2 222.288 1.340 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595622440 348291028 /nfs/dbraw/zinc/29/10/28/348291028.db2.gz AORBXMZQPPKIPL-GHMZBOCLSA-N 1 2 222.288 1.340 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@H](O)C(C)(C)C)C1CC1 ZINC000595709025 348320102 /nfs/dbraw/zinc/32/01/02/348320102.db2.gz BMDILYLIWJFNGY-KOLCDFICSA-N 1 2 210.321 1.770 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@H](O)C(C)(C)C)C1CC1 ZINC000595709025 348320104 /nfs/dbraw/zinc/32/01/04/348320104.db2.gz BMDILYLIWJFNGY-KOLCDFICSA-N 1 2 210.321 1.770 20 30 BDEDLO C[C@@H](C#N)[N@H+](CCCC(=O)N(C)C)C1CC1 ZINC000595708926 348320257 /nfs/dbraw/zinc/32/02/57/348320257.db2.gz AMNMUMLQFJNKSA-JTQLQIEISA-N 1 2 223.320 1.231 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CCCC(=O)N(C)C)C1CC1 ZINC000595708926 348320261 /nfs/dbraw/zinc/32/02/61/348320261.db2.gz AMNMUMLQFJNKSA-JTQLQIEISA-N 1 2 223.320 1.231 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756044 348330476 /nfs/dbraw/zinc/33/04/76/348330476.db2.gz CIBHBNLPAKZKLG-GXTWGEPZSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756044 348330479 /nfs/dbraw/zinc/33/04/79/348330479.db2.gz CIBHBNLPAKZKLG-GXTWGEPZSA-N 1 2 246.285 1.654 20 30 BDEDLO CC[N@H+](CCC(=O)NC1CCCC1)[C@H](C)C#N ZINC000595812559 348351858 /nfs/dbraw/zinc/35/18/58/348351858.db2.gz GZWYALKQMWYIOC-LLVKDONJSA-N 1 2 237.347 1.669 20 30 BDEDLO CC[N@@H+](CCC(=O)NC1CCCC1)[C@H](C)C#N ZINC000595812559 348351859 /nfs/dbraw/zinc/35/18/59/348351859.db2.gz GZWYALKQMWYIOC-LLVKDONJSA-N 1 2 237.347 1.669 20 30 BDEDLO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC#N)cn1 ZINC000595771952 348336659 /nfs/dbraw/zinc/33/66/59/348336659.db2.gz QZUQBTNWEXWEPY-NWDGAFQWSA-N 1 2 218.304 1.244 20 30 BDEDLO CCOC(=O)CCC[N@H+](CC)[C@@H](C)C#N ZINC000595812676 348352035 /nfs/dbraw/zinc/35/20/35/348352035.db2.gz HSTWWOQVYMIQDE-JTQLQIEISA-N 1 2 212.293 1.564 20 30 BDEDLO CCOC(=O)CCC[N@@H+](CC)[C@@H](C)C#N ZINC000595812676 348352039 /nfs/dbraw/zinc/35/20/39/348352039.db2.gz HSTWWOQVYMIQDE-JTQLQIEISA-N 1 2 212.293 1.564 20 30 BDEDLO CCCCNC(=O)CC[N@H+](CC)[C@@H](C)C#N ZINC000595812921 348352482 /nfs/dbraw/zinc/35/24/82/348352482.db2.gz JRNHQDQGNQASEA-NSHDSACASA-N 1 2 225.336 1.527 20 30 BDEDLO CCCCNC(=O)CC[N@@H+](CC)[C@@H](C)C#N ZINC000595812921 348352483 /nfs/dbraw/zinc/35/24/83/348352483.db2.gz JRNHQDQGNQASEA-NSHDSACASA-N 1 2 225.336 1.527 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595839085 348372649 /nfs/dbraw/zinc/37/26/49/348372649.db2.gz YRIYRILZDDIFCC-LLVKDONJSA-N 1 2 249.274 1.027 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595839085 348372650 /nfs/dbraw/zinc/37/26/50/348372650.db2.gz YRIYRILZDDIFCC-LLVKDONJSA-N 1 2 249.274 1.027 20 30 BDEDLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839834 348373813 /nfs/dbraw/zinc/37/38/13/348373813.db2.gz MHDVMJCUCNRNPM-CYBMUJFWSA-N 1 2 232.331 1.773 20 30 BDEDLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839834 348373817 /nfs/dbraw/zinc/37/38/17/348373817.db2.gz MHDVMJCUCNRNPM-CYBMUJFWSA-N 1 2 232.331 1.773 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccncc2)C1 ZINC000595840679 348374527 /nfs/dbraw/zinc/37/45/27/348374527.db2.gz RVBQASJCJVNOSK-GFCCVEGCSA-N 1 2 201.273 1.817 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccncc2)C1 ZINC000595840679 348374529 /nfs/dbraw/zinc/37/45/29/348374529.db2.gz RVBQASJCJVNOSK-GFCCVEGCSA-N 1 2 201.273 1.817 20 30 BDEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840419 348374635 /nfs/dbraw/zinc/37/46/35/348374635.db2.gz AYFALPQHVKIFPR-GFCCVEGCSA-N 1 2 233.319 1.342 20 30 BDEDLO CCn1nnc(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840419 348374637 /nfs/dbraw/zinc/37/46/37/348374637.db2.gz AYFALPQHVKIFPR-GFCCVEGCSA-N 1 2 233.319 1.342 20 30 BDEDLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842606 348379255 /nfs/dbraw/zinc/37/92/55/348379255.db2.gz FYRCZVAKFBBWQT-JQWIXIFHSA-N 1 2 216.288 1.773 20 30 BDEDLO C[C@@H](c1cnccn1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842606 348379257 /nfs/dbraw/zinc/37/92/57/348379257.db2.gz FYRCZVAKFBBWQT-JQWIXIFHSA-N 1 2 216.288 1.773 20 30 BDEDLO CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@H](C)C#N ZINC000595820840 348362224 /nfs/dbraw/zinc/36/22/24/348362224.db2.gz PJNPZGOMQUDMRN-SFYZADRCSA-N 1 2 224.226 1.534 20 30 BDEDLO CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@H](C)C#N ZINC000595820840 348362225 /nfs/dbraw/zinc/36/22/25/348362225.db2.gz PJNPZGOMQUDMRN-SFYZADRCSA-N 1 2 224.226 1.534 20 30 BDEDLO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000595894813 348390955 /nfs/dbraw/zinc/39/09/55/348390955.db2.gz XTAHLOQFBRPMQY-HNNXBMFYSA-N 1 2 243.354 1.914 20 30 BDEDLO C[C@@]1(C(F)F)C[N@H+](CCOCCC#N)CCO1 ZINC000595915563 348400580 /nfs/dbraw/zinc/40/05/80/348400580.db2.gz HZGMSVBUBUBLBC-NSHDSACASA-N 1 2 248.273 1.273 20 30 BDEDLO C[C@@]1(C(F)F)C[N@@H+](CCOCCC#N)CCO1 ZINC000595915563 348400582 /nfs/dbraw/zinc/40/05/82/348400582.db2.gz HZGMSVBUBUBLBC-NSHDSACASA-N 1 2 248.273 1.273 20 30 BDEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)c2[nH+]ccn21 ZINC000596257329 348476807 /nfs/dbraw/zinc/47/68/07/348476807.db2.gz MTQDMEJEQCFDHQ-WCBMZHEXSA-N 1 2 240.270 1.085 20 30 BDEDLO Cc1cc(N(C)Cc2c[nH+]c[nH]2)c(C#N)cn1 ZINC000596313514 348504532 /nfs/dbraw/zinc/50/45/32/348504532.db2.gz RAPXRBKBZACQNY-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO Cc1cc(N(C)Cc2cn(C)nn2)c(C#N)c[nH+]1 ZINC000596484120 348558815 /nfs/dbraw/zinc/55/88/15/348558815.db2.gz MLDSOVRRQBPHNI-UHFFFAOYSA-N 1 2 242.286 1.027 20 30 BDEDLO Cc1cc(N2CC[C@@H]3COC[C@H]3C2)c(C#N)c[nH+]1 ZINC000596532542 348569645 /nfs/dbraw/zinc/56/96/45/348569645.db2.gz ZCFWLFJZXUHQQP-DGCLKSJQSA-N 1 2 243.310 1.734 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000597083597 348659462 /nfs/dbraw/zinc/65/94/62/348659462.db2.gz SVNOSRMTDJFLDC-VIFPVBQESA-N 1 2 204.277 1.079 20 30 BDEDLO COCc1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC000597193625 348671444 /nfs/dbraw/zinc/67/14/44/348671444.db2.gz IXYTVMWUIKOZBK-UHFFFAOYSA-N 1 2 220.272 1.771 20 30 BDEDLO C[N@H+](Cc1cnn2c1CCC2)CC(C)(C)C#N ZINC000597135205 348660501 /nfs/dbraw/zinc/66/05/01/348660501.db2.gz ITIXFQAMDJXFQP-UHFFFAOYSA-N 1 2 232.331 1.811 20 30 BDEDLO C[N@@H+](Cc1cnn2c1CCC2)CC(C)(C)C#N ZINC000597135205 348660505 /nfs/dbraw/zinc/66/05/05/348660505.db2.gz ITIXFQAMDJXFQP-UHFFFAOYSA-N 1 2 232.331 1.811 20 30 BDEDLO N#CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000596916453 348633604 /nfs/dbraw/zinc/63/36/04/348633604.db2.gz OEBLEBZIOKRCPV-SECBINFHSA-N 1 2 244.298 1.029 20 30 BDEDLO N#CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000596916453 348633607 /nfs/dbraw/zinc/63/36/07/348633607.db2.gz OEBLEBZIOKRCPV-SECBINFHSA-N 1 2 244.298 1.029 20 30 BDEDLO N#CCC1C[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000597203158 348677091 /nfs/dbraw/zinc/67/70/91/348677091.db2.gz GWPJULBYDVXIJO-UHFFFAOYSA-N 1 2 228.299 1.699 20 30 BDEDLO CCc1nn(C)cc1C[NH+]1CC(CC#N)C1 ZINC000597204497 348678327 /nfs/dbraw/zinc/67/83/27/348678327.db2.gz XYTPAOGLTKWFKH-UHFFFAOYSA-N 1 2 218.304 1.328 20 30 BDEDLO CCc1c[nH+]ccc1NC(=O)[C@H](C)CC#N ZINC000597236804 348702075 /nfs/dbraw/zinc/70/20/75/348702075.db2.gz UCFBBQRZZBFRPX-SECBINFHSA-N 1 2 217.272 1.554 20 30 BDEDLO N#CCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941408 348846250 /nfs/dbraw/zinc/84/62/50/348846250.db2.gz PJPUVZFMWUKECR-UHFFFAOYSA-N 1 2 244.298 1.212 20 30 BDEDLO C[C@H](CC#N)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000597739067 348803238 /nfs/dbraw/zinc/80/32/38/348803238.db2.gz WYKJZKUTOJQJKC-KXUCPTDWSA-N 1 2 232.287 1.555 20 30 BDEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)c(OC)c1 ZINC000054179212 348891295 /nfs/dbraw/zinc/89/12/95/348891295.db2.gz ZRQGEGSRPNPZHI-SNVBAGLBSA-N 1 2 234.299 1.953 20 30 BDEDLO CC[C@@H](CC#N)NCc1[nH+]ccn1CC ZINC000054183917 348909993 /nfs/dbraw/zinc/90/99/93/348909993.db2.gz BXVSEUIACHOJCN-JTQLQIEISA-N 1 2 206.293 1.685 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1nccn1CC ZINC000054183917 348909995 /nfs/dbraw/zinc/90/99/95/348909995.db2.gz BXVSEUIACHOJCN-JTQLQIEISA-N 1 2 206.293 1.685 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@](C)(C#N)C1 ZINC000598414676 348968897 /nfs/dbraw/zinc/96/88/97/348968897.db2.gz GZQFIAQOVROSEL-ZDUSSCGKSA-N 1 2 246.314 1.115 20 30 BDEDLO CC(C)(C(=O)N1CC[C@@](C)(C#N)C1)c1c[nH+]c[nH]1 ZINC000598416909 348970667 /nfs/dbraw/zinc/97/06/67/348970667.db2.gz HAMXXCRLVJTZFF-ZDUSSCGKSA-N 1 2 246.314 1.449 20 30 BDEDLO Cc1cc(N2CC[C@@H](C)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000598637813 349014911 /nfs/dbraw/zinc/01/49/11/349014911.db2.gz NBTOUGMAMXCTAP-MFKMUULPSA-N 1 2 245.326 1.716 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1nccnc1C ZINC000598674820 349019694 /nfs/dbraw/zinc/01/96/94/349019694.db2.gz VIZIKGGRCGGDBA-SNVBAGLBSA-N 1 2 204.277 1.567 20 30 BDEDLO CC[N@@H+](Cc1nccnc1C)C[C@@H](C)C#N ZINC000598678260 349021306 /nfs/dbraw/zinc/02/13/06/349021306.db2.gz DPELAXKSESHYII-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1nccnc1C)C[C@@H](C)C#N ZINC000598678260 349021311 /nfs/dbraw/zinc/02/13/11/349021311.db2.gz DPELAXKSESHYII-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO C=CC[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000307004284 349147114 /nfs/dbraw/zinc/14/71/14/349147114.db2.gz CSPIWOCFOWWXSL-CWSCBRNRSA-N 1 2 201.335 1.404 20 30 BDEDLO C=CC[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000307004284 349147117 /nfs/dbraw/zinc/14/71/17/349147117.db2.gz CSPIWOCFOWWXSL-CWSCBRNRSA-N 1 2 201.335 1.404 20 30 BDEDLO Cc1cc(N[C@H]2CO[C@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000599180276 349122170 /nfs/dbraw/zinc/12/21/70/349122170.db2.gz KEEVOBGKUAMSMR-OCCSQVGLSA-N 1 2 243.310 1.663 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CC#N)CC2 ZINC000599221159 349126569 /nfs/dbraw/zinc/12/65/69/349126569.db2.gz LLAYAFXYBHTKEY-ONGXEEELSA-N 1 2 246.314 1.172 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599236370 349129974 /nfs/dbraw/zinc/12/99/74/349129974.db2.gz BAGRSXXYYSKPFO-GHMZBOCLSA-N 1 2 246.314 1.172 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CCOC)CC1 ZINC000599505976 349212882 /nfs/dbraw/zinc/21/28/82/349212882.db2.gz GIYKKPFYVGHNRE-GFCCVEGCSA-N 1 2 241.331 1.463 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC#N)CC2 ZINC000599751298 349254466 /nfs/dbraw/zinc/25/44/66/349254466.db2.gz SHHRRKYNBQIXHN-LLVKDONJSA-N 1 2 246.314 1.174 20 30 BDEDLO CCN(CC#N)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602079583 349429921 /nfs/dbraw/zinc/42/99/21/349429921.db2.gz BUQAAKGCEOPSNE-GFCCVEGCSA-N 1 2 248.330 1.842 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCC[C@@H]1CC)C(=O)OC ZINC000309139524 350080601 /nfs/dbraw/zinc/08/06/01/350080601.db2.gz GVXAVBOGXYGTGE-DCAQKATOSA-N 1 2 211.305 1.882 20 30 BDEDLO C#CCCCC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000365287384 350213922 /nfs/dbraw/zinc/21/39/22/350213922.db2.gz RMCXRSFMSMEEPT-GFCCVEGCSA-N 1 2 245.326 1.887 20 30 BDEDLO C=CC[N@@H+](C)Cc1nnc2ccccn21 ZINC000079441126 490441916 /nfs/dbraw/zinc/44/19/16/490441916.db2.gz YIZULJLOWJGFER-UHFFFAOYSA-N 1 2 202.261 1.347 20 30 BDEDLO C=CC[N@H+](C)Cc1nnc2ccccn21 ZINC000079441126 490441924 /nfs/dbraw/zinc/44/19/24/490441924.db2.gz YIZULJLOWJGFER-UHFFFAOYSA-N 1 2 202.261 1.347 20 30 BDEDLO CC[C@@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000335153444 350288660 /nfs/dbraw/zinc/28/86/60/350288660.db2.gz JCMXWCJKIZNUNH-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO CC[C@@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000335153444 350288665 /nfs/dbraw/zinc/28/86/65/350288665.db2.gz JCMXWCJKIZNUNH-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccccc2F)CC1 ZINC000041106185 350414205 /nfs/dbraw/zinc/41/42/05/350414205.db2.gz SXOLWWHMWDUJJZ-UHFFFAOYSA-N 1 2 247.317 1.857 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000336688367 350444203 /nfs/dbraw/zinc/44/42/03/350444203.db2.gz AJBGQXGBILRSBB-LLVKDONJSA-N 1 2 245.330 1.317 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000336688367 350444206 /nfs/dbraw/zinc/44/42/06/350444206.db2.gz AJBGQXGBILRSBB-LLVKDONJSA-N 1 2 245.330 1.317 20 30 BDEDLO C=CCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606900111 350626731 /nfs/dbraw/zinc/62/67/31/350626731.db2.gz LSEOTKJAWAZSBE-MRVPVSSYSA-N 1 2 209.211 1.826 20 30 BDEDLO C=CCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606900111 350626733 /nfs/dbraw/zinc/62/67/33/350626733.db2.gz LSEOTKJAWAZSBE-MRVPVSSYSA-N 1 2 209.211 1.826 20 30 BDEDLO CC[C@@H](SC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577573038 365986421 /nfs/dbraw/zinc/98/64/21/365986421.db2.gz IHWZSIXOVBEQCA-KOLCDFICSA-N 1 2 243.376 1.088 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000339764571 350823830 /nfs/dbraw/zinc/82/38/30/350823830.db2.gz TXMMIAUAIMDDQX-UHFFFAOYSA-N 1 2 236.359 1.636 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000339764571 350823835 /nfs/dbraw/zinc/82/38/35/350823835.db2.gz TXMMIAUAIMDDQX-UHFFFAOYSA-N 1 2 236.359 1.636 20 30 BDEDLO CC#CC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000336683303 350911681 /nfs/dbraw/zinc/91/16/81/350911681.db2.gz QCEZCZBEHFXYBP-LBPRGKRZSA-N 1 2 219.288 1.616 20 30 BDEDLO CCCn1ncnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397575565 350920917 /nfs/dbraw/zinc/92/09/17/350920917.db2.gz FZJAHZIXPPMWNM-GFCCVEGCSA-N 1 2 247.346 1.814 20 30 BDEDLO CCCn1ncnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397575565 350920921 /nfs/dbraw/zinc/92/09/21/350920921.db2.gz FZJAHZIXPPMWNM-GFCCVEGCSA-N 1 2 247.346 1.814 20 30 BDEDLO C=C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607145425 350945971 /nfs/dbraw/zinc/94/59/71/350945971.db2.gz LVBMETPUPIXYIK-UHFFFAOYSA-N 1 2 241.298 1.819 20 30 BDEDLO C=C(Br)C[N@H+](CC(N)=O)CC(C)C ZINC000052441017 350946468 /nfs/dbraw/zinc/94/64/68/350946468.db2.gz SMHZWXCDWKZHLJ-UHFFFAOYSA-N 1 2 249.152 1.338 20 30 BDEDLO C=C(Br)C[N@@H+](CC(N)=O)CC(C)C ZINC000052441017 350946473 /nfs/dbraw/zinc/94/64/73/350946473.db2.gz SMHZWXCDWKZHLJ-UHFFFAOYSA-N 1 2 249.152 1.338 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000577614680 366018623 /nfs/dbraw/zinc/01/86/23/366018623.db2.gz MHBOVCFYKZFGPM-VXGBXAGGSA-N 1 2 247.342 1.916 20 30 BDEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000336722710 351165917 /nfs/dbraw/zinc/16/59/17/351165917.db2.gz ASXMEMNNDBLZOZ-FXBDTBDDSA-N 1 2 220.276 1.721 20 30 BDEDLO C[C@@H](C#N)CN(C)Cc1cccc2[nH+]ccn21 ZINC000271713231 351428948 /nfs/dbraw/zinc/42/89/48/351428948.db2.gz HPSRNWSDQFUSMG-NSHDSACASA-N 1 2 228.299 1.926 20 30 BDEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)nc1 ZINC000271819495 351439157 /nfs/dbraw/zinc/43/91/57/351439157.db2.gz OVQZSFDWMUSICD-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)nc1 ZINC000271819495 351439159 /nfs/dbraw/zinc/43/91/59/351439159.db2.gz OVQZSFDWMUSICD-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCCCC#N ZINC000273621127 351539584 /nfs/dbraw/zinc/53/95/84/351539584.db2.gz VSVBIUDLWWYTCJ-UHFFFAOYSA-N 1 2 249.318 1.218 20 30 BDEDLO N#CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000276546151 351630709 /nfs/dbraw/zinc/63/07/09/351630709.db2.gz GVDWLWODUUNWRK-AATRIKPKSA-N 1 2 244.298 1.718 20 30 BDEDLO COc1ccc(C(N)=[NH+]OC2CCC2)cc1 ZINC000278777702 351782928 /nfs/dbraw/zinc/78/29/28/351782928.db2.gz VMSLWWHZLAYRPY-UHFFFAOYSA-N 1 2 220.272 1.885 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279145509 351799637 /nfs/dbraw/zinc/79/96/37/351799637.db2.gz GSFLCMHDFDSTTG-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO CC(C)(C#N)CC(=O)NCCCn1cc[nH+]c1 ZINC000279178916 351800054 /nfs/dbraw/zinc/80/00/54/351800054.db2.gz CTELIJPVLMSTQH-UHFFFAOYSA-N 1 2 234.303 1.329 20 30 BDEDLO C=Cn1cc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000278283904 351754837 /nfs/dbraw/zinc/75/48/37/351754837.db2.gz TXIYIWHSVHTKJO-SNVBAGLBSA-N 1 2 204.277 1.575 20 30 BDEDLO C=Cn1cc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000278283904 351754841 /nfs/dbraw/zinc/75/48/41/351754841.db2.gz TXIYIWHSVHTKJO-SNVBAGLBSA-N 1 2 204.277 1.575 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)CCc1c[nH+]cn1C ZINC000280490550 351846200 /nfs/dbraw/zinc/84/62/00/351846200.db2.gz KCDJTAKTUDUXMJ-NSHDSACASA-N 1 2 234.303 1.017 20 30 BDEDLO Cn1cc(CNc2cccc[nH+]2)cc1C#N ZINC000335619965 180653104 /nfs/dbraw/zinc/65/31/04/180653104.db2.gz LWIVGPXZVCTXRR-UHFFFAOYSA-N 1 2 212.256 1.904 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CC#N)C1=O ZINC000282003637 351920046 /nfs/dbraw/zinc/92/00/46/351920046.db2.gz NTZRRIXLESDLMH-QWRGUYRKSA-N 1 2 221.304 1.007 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)CC#N)C1=O ZINC000282003637 351920049 /nfs/dbraw/zinc/92/00/49/351920049.db2.gz NTZRRIXLESDLMH-QWRGUYRKSA-N 1 2 221.304 1.007 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC000281758677 351908340 /nfs/dbraw/zinc/90/83/40/351908340.db2.gz PXKHSUDICUHGIQ-SNVBAGLBSA-N 1 2 207.277 1.354 20 30 BDEDLO C=C(C)C[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000284545030 351999466 /nfs/dbraw/zinc/99/94/66/351999466.db2.gz HMSMKSZQHORSMK-MNOVXSKESA-N 1 2 236.319 1.451 20 30 BDEDLO C=C(C)C[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000284545030 351999471 /nfs/dbraw/zinc/99/94/71/351999471.db2.gz HMSMKSZQHORSMK-MNOVXSKESA-N 1 2 236.319 1.451 20 30 BDEDLO C[C@@H]([NH2+]CC#N)C1CCN(CC(F)(F)F)CC1 ZINC000340218666 352071653 /nfs/dbraw/zinc/07/16/53/352071653.db2.gz QAMQWDPFCJZTKI-SECBINFHSA-N 1 2 249.280 1.762 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000286386796 352087560 /nfs/dbraw/zinc/08/75/60/352087560.db2.gz IRHOHIBZYDKQOV-DGCLKSJQSA-N 1 2 248.330 1.575 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nnc(C(C)C)o1 ZINC000189420030 166341651 /nfs/dbraw/zinc/34/16/51/166341651.db2.gz QIHHVEQEUJDRAR-UHFFFAOYSA-N 1 2 239.319 1.827 20 30 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BDEDLO C#CC[NH+](CC#C)CCC(=O)c1ccc(F)cc1 ZINC000182379491 353472330 /nfs/dbraw/zinc/47/23/30/353472330.db2.gz YQCVXLGAOKLLBD-UHFFFAOYSA-N 1 2 243.281 1.967 20 30 BDEDLO COC[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000192040093 353532620 /nfs/dbraw/zinc/53/26/20/353532620.db2.gz WQKVCZFJKULWQP-OAHLLOKOSA-N 1 2 245.322 1.385 20 30 BDEDLO COC[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000192040093 353532625 /nfs/dbraw/zinc/53/26/25/353532625.db2.gz WQKVCZFJKULWQP-OAHLLOKOSA-N 1 2 245.322 1.385 20 30 BDEDLO C#CCC(CC#C)C(=O)Nc1cc[nH+]cc1C ZINC000287657280 353589776 /nfs/dbraw/zinc/58/97/76/353589776.db2.gz QRPZEFHKLLPERZ-UHFFFAOYSA-N 1 2 226.279 1.991 20 30 BDEDLO C=C(Br)C[N@@H+](C)C[C@H](C)OC ZINC000285740412 353550425 /nfs/dbraw/zinc/55/04/25/353550425.db2.gz QJWXAHQHVIHFGM-QMMMGPOBSA-N 1 2 222.126 1.862 20 30 BDEDLO C=C(Br)C[N@H+](C)C[C@H](C)OC ZINC000285740412 353550426 /nfs/dbraw/zinc/55/04/26/353550426.db2.gz QJWXAHQHVIHFGM-QMMMGPOBSA-N 1 2 222.126 1.862 20 30 BDEDLO 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BDEDLO C=C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000357372618 538827599 /nfs/dbraw/zinc/82/75/99/538827599.db2.gz KLCRDUUNMMWBKQ-GFCCVEGCSA-N 1 2 233.315 1.909 20 30 BDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCC#N)C1CC1 ZINC000360609545 134201346 /nfs/dbraw/zinc/20/13/46/134201346.db2.gz DMALRMQFLHSDER-LBPRGKRZSA-N 1 2 246.314 1.681 20 30 BDEDLO CN(C)c1[nH+]cccc1N(C)C(=O)CCCC#N ZINC000361885196 134208071 /nfs/dbraw/zinc/20/80/71/134208071.db2.gz OEHQIYBUIYDWIY-UHFFFAOYSA-N 1 2 246.314 1.804 20 30 BDEDLO C[C@@H](C#N)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000368253710 134217820 /nfs/dbraw/zinc/21/78/20/134217820.db2.gz MOXGCDQXCIWLMY-QWRGUYRKSA-N 1 2 218.304 1.197 20 30 BDEDLO C[C@@H](C#N)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000368253710 134217821 /nfs/dbraw/zinc/21/78/21/134217821.db2.gz MOXGCDQXCIWLMY-QWRGUYRKSA-N 1 2 218.304 1.197 20 30 BDEDLO Cn1cc(C[N@@H+]2CCC[C@@H](F)C2)cc1C#N ZINC000583269125 357777984 /nfs/dbraw/zinc/77/79/84/357777984.db2.gz XVDXDXZWTMDIIG-LLVKDONJSA-N 1 2 221.279 1.831 20 30 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CCOC(=O)CCCCC[N@@H+](CC)CC#N ZINC000071297565 359075444 /nfs/dbraw/zinc/07/54/44/359075444.db2.gz NTTIYIQHOYRAOJ-UHFFFAOYSA-N 1 2 226.320 1.955 20 30 BDEDLO Cn1cc[nH+]c1CNc1ccc(C#N)cn1 ZINC000070798367 359064151 /nfs/dbraw/zinc/06/41/51/359064151.db2.gz ACPOPYLLECLDAP-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000628487116 359476021 /nfs/dbraw/zinc/47/60/21/359476021.db2.gz XXSAPDNLDUKHSH-LBPRGKRZSA-N 1 2 233.315 1.698 20 30 BDEDLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166002 359721024 /nfs/dbraw/zinc/72/10/24/359721024.db2.gz QLQCGZWJIZMSHL-ZYHUDNBSSA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166002 359721032 /nfs/dbraw/zinc/72/10/32/359721032.db2.gz QLQCGZWJIZMSHL-ZYHUDNBSSA-N 1 2 223.320 1.089 20 30 BDEDLO CN1CCC[C@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166345 359721050 /nfs/dbraw/zinc/72/10/50/359721050.db2.gz SGIQOSWKPNAUES-AAEUAGOBSA-N 1 2 235.331 1.233 20 30 BDEDLO CN1CCC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166345 359721056 /nfs/dbraw/zinc/72/10/56/359721056.db2.gz SGIQOSWKPNAUES-AAEUAGOBSA-N 1 2 235.331 1.233 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)CC2(C#N)CCC2)C1=O ZINC000450899182 202302620 /nfs/dbraw/zinc/30/26/20/202302620.db2.gz DJERUWGKAGIQSG-GFCCVEGCSA-N 1 2 247.342 1.399 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC2(C#N)CCC2)C1=O ZINC000450899182 202302623 /nfs/dbraw/zinc/30/26/23/202302623.db2.gz DJERUWGKAGIQSG-GFCCVEGCSA-N 1 2 247.342 1.399 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)NCCCC#N)CC2 ZINC000612379995 359823382 /nfs/dbraw/zinc/82/33/82/359823382.db2.gz HRSHZIBYTWQMSW-UHFFFAOYSA-N 1 2 247.302 1.021 20 30 BDEDLO N#Cc1csc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000084297366 359809724 /nfs/dbraw/zinc/80/97/24/359809724.db2.gz IJQNEPODAIVSPR-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407098 359834602 /nfs/dbraw/zinc/83/46/02/359834602.db2.gz YQJNOEDLFNLOJK-ZDUSSCGKSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1nn(C)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407098 359834604 /nfs/dbraw/zinc/83/46/04/359834604.db2.gz YQJNOEDLFNLOJK-ZDUSSCGKSA-N 1 2 232.331 1.854 20 30 BDEDLO N#CCC[NH2+]Cc1ccc(OC(F)F)cn1 ZINC000578436468 366566604 /nfs/dbraw/zinc/56/66/04/366566604.db2.gz VPSDYIIXRKOGFS-UHFFFAOYSA-N 1 2 227.214 1.686 20 30 BDEDLO CCn1cc(C[NH2+]Cc2ccc(C#N)cc2)nn1 ZINC000404460669 359832424 /nfs/dbraw/zinc/83/24/24/359832424.db2.gz KFHGJNMOMBEMEZ-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO CN(C)C(=O)c1ccc(C[NH2+]CC(C)(C)C#N)[nH]1 ZINC000612584896 359897394 /nfs/dbraw/zinc/89/73/94/359897394.db2.gz GRFLNKSFKXTBQD-UHFFFAOYSA-N 1 2 248.330 1.356 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451186207 202372975 /nfs/dbraw/zinc/37/29/75/202372975.db2.gz MKRPANLCDHHTFN-RYUDHWBXSA-N 1 2 242.338 1.843 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451186207 202372978 /nfs/dbraw/zinc/37/29/78/202372978.db2.gz MKRPANLCDHHTFN-RYUDHWBXSA-N 1 2 242.338 1.843 20 30 BDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)C1COC1 ZINC000451285694 202394166 /nfs/dbraw/zinc/39/41/66/202394166.db2.gz LXVHDNXDBGEIRS-UHFFFAOYSA-N 1 2 233.286 1.898 20 30 BDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)C1COC1 ZINC000451285694 202394170 /nfs/dbraw/zinc/39/41/70/202394170.db2.gz LXVHDNXDBGEIRS-UHFFFAOYSA-N 1 2 233.286 1.898 20 30 BDEDLO N#CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578619318 366608929 /nfs/dbraw/zinc/60/89/29/366608929.db2.gz KACKHTVBAXHQPA-UHFFFAOYSA-N 1 2 245.242 1.474 20 30 BDEDLO COCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428448014 201018458 /nfs/dbraw/zinc/01/84/58/201018458.db2.gz OGSLIYAPBVOZRQ-UHFFFAOYSA-N 1 2 222.263 1.776 20 30 BDEDLO COCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428448014 201018461 /nfs/dbraw/zinc/01/84/61/201018461.db2.gz OGSLIYAPBVOZRQ-UHFFFAOYSA-N 1 2 222.263 1.776 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@](C)(O)C(F)(F)F ZINC000336658627 361321461 /nfs/dbraw/zinc/32/14/61/361321461.db2.gz BCSZRBNERZEPDT-MRVPVSSYSA-N 1 2 224.226 1.535 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@](C)(O)C(F)(F)F ZINC000336658627 361321465 /nfs/dbraw/zinc/32/14/65/361321465.db2.gz BCSZRBNERZEPDT-MRVPVSSYSA-N 1 2 224.226 1.535 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccccc1F ZINC000579459629 366811589 /nfs/dbraw/zinc/81/15/89/366811589.db2.gz DHPPRDKBAQFWOX-CYBMUJFWSA-N 1 2 249.289 1.399 20 30 BDEDLO CN(Cc1cn2c([nH+]1)CCCC2)CC1(C#N)CC1 ZINC000429555069 201113812 /nfs/dbraw/zinc/11/38/12/201113812.db2.gz DKWNEYBBKBLPTA-UHFFFAOYSA-N 1 2 244.342 1.955 20 30 BDEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCCCNC1=O ZINC000433304023 201178546 /nfs/dbraw/zinc/17/85/46/201178546.db2.gz MDYFEUZXDBOUCB-JTQLQIEISA-N 1 2 223.320 1.137 20 30 BDEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCCNC1=O ZINC000433304023 201178549 /nfs/dbraw/zinc/17/85/49/201178549.db2.gz MDYFEUZXDBOUCB-JTQLQIEISA-N 1 2 223.320 1.137 20 30 BDEDLO Cc1nc([C@@](C)([NH2+]CCCC#N)C2CC2)no1 ZINC000433296034 201175486 /nfs/dbraw/zinc/17/54/86/201175486.db2.gz GSFCAZGKQCSVTH-LBPRGKRZSA-N 1 2 234.303 1.897 20 30 BDEDLO C=C(C)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000448551124 201224095 /nfs/dbraw/zinc/22/40/95/201224095.db2.gz SOSIDLPYCUFFGS-UHFFFAOYSA-N 1 2 243.310 1.959 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614396298 363819424 /nfs/dbraw/zinc/81/94/24/363819424.db2.gz KNKSQKZUMJJXQA-QJPTWQEYSA-N 1 2 247.342 1.995 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068325863 370770519 /nfs/dbraw/zinc/77/05/19/370770519.db2.gz JJKPOSKELNXKNU-NSHDSACASA-N 1 2 242.282 1.756 20 30 BDEDLO CCC[C@H](C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068325864 370770694 /nfs/dbraw/zinc/77/06/94/370770694.db2.gz JJKPOSKELNXKNU-LLVKDONJSA-N 1 2 242.282 1.756 20 30 BDEDLO CC#CCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000573696023 364895142 /nfs/dbraw/zinc/89/51/42/364895142.db2.gz QODRQVVHANWLLL-SECBINFHSA-N 1 2 207.277 1.784 20 30 BDEDLO CC#CCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000573696023 364895146 /nfs/dbraw/zinc/89/51/46/364895146.db2.gz QODRQVVHANWLLL-SECBINFHSA-N 1 2 207.277 1.784 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(C)(C)C ZINC000168513676 364945340 /nfs/dbraw/zinc/94/53/40/364945340.db2.gz LYCCHWOKCRGENL-SECBINFHSA-N 1 2 211.309 1.183 20 30 BDEDLO C=CCOCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000574174784 365003699 /nfs/dbraw/zinc/00/36/99/365003699.db2.gz KOJRXTMRLMOXLE-JTQLQIEISA-N 1 2 223.276 1.409 20 30 BDEDLO C=CCOCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000574174784 365003701 /nfs/dbraw/zinc/00/37/01/365003701.db2.gz KOJRXTMRLMOXLE-JTQLQIEISA-N 1 2 223.276 1.409 20 30 BDEDLO Cc1ncc(C[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000574312561 365034875 /nfs/dbraw/zinc/03/48/75/365034875.db2.gz LPEIHZPHUWESOC-SNVBAGLBSA-N 1 2 234.328 1.985 20 30 BDEDLO C[C@H](CC(=O)N1CC(C)(C#N)C1)n1cc[nH+]c1 ZINC000574882628 365167854 /nfs/dbraw/zinc/16/78/54/365167854.db2.gz RVBVPVSFJWXGID-SNVBAGLBSA-N 1 2 232.287 1.206 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](C)C#N ZINC000575910596 365410884 /nfs/dbraw/zinc/41/08/84/365410884.db2.gz LJKMJRHIJSMLNO-NSHDSACASA-N 1 2 228.299 1.935 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)cn1)C[C@@H](C)C#N ZINC000575910596 365410891 /nfs/dbraw/zinc/41/08/91/365410891.db2.gz LJKMJRHIJSMLNO-NSHDSACASA-N 1 2 228.299 1.935 20 30 BDEDLO COCC[N@H+](CC#N)C[C@H]1CC=CCC1 ZINC000362245170 366959076 /nfs/dbraw/zinc/95/90/76/366959076.db2.gz QGPPPZSYTHLNHR-LBPRGKRZSA-N 1 2 208.305 1.815 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@H]1CC=CCC1 ZINC000362245170 366959083 /nfs/dbraw/zinc/95/90/83/366959083.db2.gz QGPPPZSYTHLNHR-LBPRGKRZSA-N 1 2 208.305 1.815 20 30 BDEDLO Cc1cccc2[nH+]c(CN3CC(C)(C#N)C3)cn21 ZINC000579727719 366993185 /nfs/dbraw/zinc/99/31/85/366993185.db2.gz VKZBPBZFVMQPCF-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO CCCOc1ncccc1C[NH2+]CCC#N ZINC000579823835 367028549 /nfs/dbraw/zinc/02/85/49/367028549.db2.gz IFZJFWDBQCYCLF-UHFFFAOYSA-N 1 2 219.288 1.874 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000581763986 367818062 /nfs/dbraw/zinc/81/80/62/367818062.db2.gz QCPZIEKYRWGOTJ-VIFPVBQESA-N 1 2 230.271 1.919 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@H+](CC#CCOC)C1CC1 ZINC000615821756 368453639 /nfs/dbraw/zinc/45/36/39/368453639.db2.gz ULCUFMDSEKNZPS-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@@H+](CC#CCOC)C1CC1 ZINC000615821756 368453647 /nfs/dbraw/zinc/45/36/47/368453647.db2.gz ULCUFMDSEKNZPS-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C=CCC(CC=C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854413 203113353 /nfs/dbraw/zinc/11/33/53/203113353.db2.gz KFWDONYRGXNBQG-UHFFFAOYSA-N 1 2 247.342 1.847 20 30 BDEDLO CC#CCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000458645951 203186245 /nfs/dbraw/zinc/18/62/45/203186245.db2.gz DUIJXZHIUSRVJO-UHFFFAOYSA-N 1 2 245.326 1.911 20 30 BDEDLO CC(C)[C@H]([NH2+]CC#N)C1(CO)CCCC1 ZINC000459518002 203294629 /nfs/dbraw/zinc/29/46/29/203294629.db2.gz BESYASHIEZIDNO-NSHDSACASA-N 1 2 210.321 1.677 20 30 BDEDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000459453852 203283347 /nfs/dbraw/zinc/28/33/47/203283347.db2.gz CRNVOAUINMEEOA-HBNTYKKESA-N 1 2 246.314 1.834 20 30 BDEDLO C=C[C@H]([NH2+]CCC[C@H]1CCOC1)C(=O)OC ZINC000402379361 369384019 /nfs/dbraw/zinc/38/40/19/369384019.db2.gz LGCOJSFHGSLKQR-QWRGUYRKSA-N 1 2 227.304 1.120 20 30 BDEDLO CC[N@H+](CCC#N)CCc1cnccn1 ZINC000402586767 369387944 /nfs/dbraw/zinc/38/79/44/369387944.db2.gz BBGBCFWAUUINJF-UHFFFAOYSA-N 1 2 204.277 1.255 20 30 BDEDLO CC[N@@H+](CCC#N)CCc1cnccn1 ZINC000402586767 369387951 /nfs/dbraw/zinc/38/79/51/369387951.db2.gz BBGBCFWAUUINJF-UHFFFAOYSA-N 1 2 204.277 1.255 20 30 BDEDLO CCn1cc[nH+]c1CN1CC(C)(C#N)C1 ZINC000619569063 369479036 /nfs/dbraw/zinc/47/90/36/369479036.db2.gz WHLPIQZBMPKUCW-UHFFFAOYSA-N 1 2 204.277 1.248 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000259989817 370962028 /nfs/dbraw/zinc/96/20/28/370962028.db2.gz LCZWYXQVHJXSCV-SNVBAGLBSA-N 1 2 204.277 1.535 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000259989817 370962032 /nfs/dbraw/zinc/96/20/32/370962032.db2.gz LCZWYXQVHJXSCV-SNVBAGLBSA-N 1 2 204.277 1.535 20 30 BDEDLO C=C[C@H](C(=O)OC)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619717377 369547630 /nfs/dbraw/zinc/54/76/30/369547630.db2.gz FKLHAQGAOBJTDW-VXGBXAGGSA-N 1 2 249.314 1.248 20 30 BDEDLO CC(C)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000250743576 369585108 /nfs/dbraw/zinc/58/51/08/369585108.db2.gz LXPIFMGULIYLQO-QWRGUYRKSA-N 1 2 223.320 1.135 20 30 BDEDLO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000250743576 369585110 /nfs/dbraw/zinc/58/51/10/369585110.db2.gz LXPIFMGULIYLQO-QWRGUYRKSA-N 1 2 223.320 1.135 20 30 BDEDLO CC(C)(CNc1cncc(C#N)n1)n1cc[nH+]c1 ZINC000601197780 369605060 /nfs/dbraw/zinc/60/50/60/369605060.db2.gz FOKTYIWYOBPIKG-UHFFFAOYSA-N 1 2 242.286 1.392 20 30 BDEDLO Cc1cc(C[NH2+]Cc2cccc(C#N)n2)no1 ZINC000602523560 369806953 /nfs/dbraw/zinc/80/69/53/369806953.db2.gz ZXDNRMKFDNEMCR-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO C[C@H](CC(=O)Nc1c[nH]nc1C#N)n1cc[nH+]c1 ZINC000602359572 369782517 /nfs/dbraw/zinc/78/25/17/369782517.db2.gz QLHQXVZEZFAUJJ-MRVPVSSYSA-N 1 2 244.258 1.068 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000602476345 369793084 /nfs/dbraw/zinc/79/30/84/369793084.db2.gz NVJFUXINLGMYQO-CQSZACIVSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000602476345 369793088 /nfs/dbraw/zinc/79/30/88/369793088.db2.gz NVJFUXINLGMYQO-CQSZACIVSA-N 1 2 243.310 1.564 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)n2)[C@H](C)CO1 ZINC000602701304 369844123 /nfs/dbraw/zinc/84/41/23/369844123.db2.gz YZFROOOZSMNHCE-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H](C)CO1 ZINC000602701304 369844127 /nfs/dbraw/zinc/84/41/27/369844127.db2.gz YZFROOOZSMNHCE-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603094726 369883277 /nfs/dbraw/zinc/88/32/77/369883277.db2.gz WRQAITCENIGVMX-AAEUAGOBSA-N 1 2 232.258 1.264 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603094726 369883282 /nfs/dbraw/zinc/88/32/82/369883282.db2.gz WRQAITCENIGVMX-AAEUAGOBSA-N 1 2 232.258 1.264 20 30 BDEDLO C=CCCOCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620596856 369948201 /nfs/dbraw/zinc/94/82/01/369948201.db2.gz UWVYKJCFCBVKGU-SNVBAGLBSA-N 1 2 237.303 1.190 20 30 BDEDLO N#Cc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000074727363 370009024 /nfs/dbraw/zinc/00/90/24/370009024.db2.gz FIPUPSGFBMNXQK-UHFFFAOYSA-N 1 2 240.266 1.853 20 30 BDEDLO N#Cc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000074727363 370009027 /nfs/dbraw/zinc/00/90/27/370009027.db2.gz FIPUPSGFBMNXQK-UHFFFAOYSA-N 1 2 240.266 1.853 20 30 BDEDLO C[C@@H](CCC#N)CNc1ccc(CO)c[nH+]1 ZINC000309806447 370263302 /nfs/dbraw/zinc/26/33/02/370263302.db2.gz XTTLKGLMFDGRAX-JTQLQIEISA-N 1 2 219.288 1.926 20 30 BDEDLO CC1(C)C[NH+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000311168685 370389247 /nfs/dbraw/zinc/38/92/47/370389247.db2.gz PFQHAFFJWYZVQH-UHFFFAOYSA-N 1 2 243.310 1.839 20 30 BDEDLO C=CC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621872382 370573205 /nfs/dbraw/zinc/57/32/05/370573205.db2.gz SUXSCQXIMKRFMO-VIFPVBQESA-N 1 2 221.304 1.768 20 30 BDEDLO Cn1c[nH+]c(CCNc2ccc(C#N)nc2)c1 ZINC000313473606 370590454 /nfs/dbraw/zinc/59/04/54/370590454.db2.gz VBCKZIKZVKXESZ-UHFFFAOYSA-N 1 2 227.271 1.341 20 30 BDEDLO CC[C@@H](Nc1cnc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000139804625 370993906 /nfs/dbraw/zinc/99/39/06/370993906.db2.gz ROBFZEWLJADVIA-SECBINFHSA-N 1 2 228.259 1.635 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000091815096 371066656 /nfs/dbraw/zinc/06/66/56/371066656.db2.gz HTLZGVPDFMKFIJ-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000091815096 371066661 /nfs/dbraw/zinc/06/66/61/371066661.db2.gz HTLZGVPDFMKFIJ-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO CC[C@H](C#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000092350056 371093012 /nfs/dbraw/zinc/09/30/12/371093012.db2.gz PTLGLPLYAGWRLX-SECBINFHSA-N 1 2 203.245 1.878 20 30 BDEDLO CC1([NH2+]Cc2cccc(F)c2C#N)COC1 ZINC000602739332 371836108 /nfs/dbraw/zinc/83/61/08/371836108.db2.gz MTRGLVYYDMVEOV-UHFFFAOYSA-N 1 2 220.247 1.576 20 30 BDEDLO C=CC(C)(C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633280820 373445149 /nfs/dbraw/zinc/44/51/49/373445149.db2.gz CUBHFRMZINBSMO-UHFFFAOYSA-N 1 2 236.319 1.763 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(N(C)CC)nc1 ZINC000191374282 259573860 /nfs/dbraw/zinc/57/38/60/259573860.db2.gz HFNVBPMUJWOFQE-UHFFFAOYSA-N 1 2 241.338 1.606 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000192238706 259585280 /nfs/dbraw/zinc/58/52/80/259585280.db2.gz DEJGDIIXHMIKCO-STQMWFEESA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000192238706 259585282 /nfs/dbraw/zinc/58/52/82/259585282.db2.gz DEJGDIIXHMIKCO-STQMWFEESA-N 1 2 236.359 1.589 20 30 BDEDLO CCn1ccnc1C[NH+]1CCC(C#N)CC1 ZINC000195515438 259607532 /nfs/dbraw/zinc/60/75/32/259607532.db2.gz KLXLEWCIFAHQHQ-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CCn1cc[nH+]c1CN1CCC(C#N)CC1 ZINC000195515438 259607534 /nfs/dbraw/zinc/60/75/34/259607534.db2.gz KLXLEWCIFAHQHQ-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CC[C@@H]1C[N@H+](CCC#N)C[C@]2(CCOC2)O1 ZINC000366579818 171078370 /nfs/dbraw/zinc/07/83/70/171078370.db2.gz WVTLNKSQZSUDRO-NEPJUHHUSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(C#N)n1 ZINC000081595857 383865000 /nfs/dbraw/zinc/86/50/00/383865000.db2.gz KPFHTLSJWVTVLB-JTQLQIEISA-N 1 2 227.271 1.650 20 30 BDEDLO C=CC[C@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000116855834 383882460 /nfs/dbraw/zinc/88/24/60/383882460.db2.gz RUNKWVDNPNBBGP-NSHDSACASA-N 1 2 243.310 1.958 20 30 BDEDLO C=CC(C)(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000560104353 383900090 /nfs/dbraw/zinc/90/00/90/383900090.db2.gz TYIWMNOOIMWTQX-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO C=C(Cl)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000298757144 383984943 /nfs/dbraw/zinc/98/49/43/383984943.db2.gz WVRYDRIKYJTVDS-LBPRGKRZSA-N 1 2 238.718 1.729 20 30 BDEDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000339278404 383941570 /nfs/dbraw/zinc/94/15/70/383941570.db2.gz GJELIMDBAXCSHU-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000339278404 383941576 /nfs/dbraw/zinc/94/15/76/383941576.db2.gz GJELIMDBAXCSHU-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)OC ZINC000298627327 383972047 /nfs/dbraw/zinc/97/20/47/383972047.db2.gz VMDYGNXHHSKUBZ-GFCCVEGCSA-N 1 2 231.295 1.683 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)OC ZINC000298627327 383972052 /nfs/dbraw/zinc/97/20/52/383972052.db2.gz VMDYGNXHHSKUBZ-GFCCVEGCSA-N 1 2 231.295 1.683 20 30 BDEDLO COc1cccc(C[N@H+](C)[C@H](C)CC#N)n1 ZINC000070093674 384079319 /nfs/dbraw/zinc/07/93/19/384079319.db2.gz KAOMGGSSRUWLSA-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO COc1cccc(C[N@@H+](C)[C@H](C)CC#N)n1 ZINC000070093674 384079327 /nfs/dbraw/zinc/07/93/27/384079327.db2.gz KAOMGGSSRUWLSA-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO C#CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000299223496 384129978 /nfs/dbraw/zinc/12/99/78/384129978.db2.gz MOTOSFVJYIZQCG-CQSZACIVSA-N 1 2 243.306 1.610 20 30 BDEDLO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000299223496 384129986 /nfs/dbraw/zinc/12/99/86/384129986.db2.gz MOTOSFVJYIZQCG-CQSZACIVSA-N 1 2 243.306 1.610 20 30 BDEDLO C#CCCCO[NH+]=C(N)COc1ccccc1 ZINC000270911127 533041390 /nfs/dbraw/zinc/04/13/90/533041390.db2.gz LRYQSLKFOLVPOJ-UHFFFAOYSA-N 1 2 232.283 1.768 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)(C)C ZINC000309622297 384183401 /nfs/dbraw/zinc/18/34/01/384183401.db2.gz FPOAWKWOKZXIOX-WDEREUQCSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(CC)CC(=C)C ZINC000299355322 384189116 /nfs/dbraw/zinc/18/91/16/384189116.db2.gz RAIBXAKJWARAIY-AWEZNQCLSA-N 1 2 246.354 1.368 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(CC)CC(=C)C ZINC000299355325 384189853 /nfs/dbraw/zinc/18/98/53/384189853.db2.gz RAIBXAKJWARAIY-CQSZACIVSA-N 1 2 246.354 1.368 20 30 BDEDLO C=C(C)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000092896223 384199082 /nfs/dbraw/zinc/19/90/82/384199082.db2.gz FMLGZJQNDNHHMK-UHFFFAOYSA-N 1 2 220.272 1.908 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1sccc1C#N ZINC000336514732 384232312 /nfs/dbraw/zinc/23/23/12/384232312.db2.gz DVTSHJCLYHVRHO-UHFFFAOYSA-N 1 2 246.295 1.615 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C(=O)OC ZINC000361112659 384214782 /nfs/dbraw/zinc/21/47/82/384214782.db2.gz IUNFPAZICAIBBG-WOPDTQHZSA-N 1 2 241.331 1.509 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CCSC1 ZINC000336449850 384229858 /nfs/dbraw/zinc/22/98/58/384229858.db2.gz KYQLHKJUAQMOIU-VIFPVBQESA-N 1 2 239.369 1.952 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCSC1 ZINC000336449850 384229866 /nfs/dbraw/zinc/22/98/66/384229866.db2.gz KYQLHKJUAQMOIU-VIFPVBQESA-N 1 2 239.369 1.952 20 30 BDEDLO CN1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000335427819 384286090 /nfs/dbraw/zinc/28/60/90/384286090.db2.gz AFBIZGVUKDCNSQ-UHFFFAOYSA-N 1 2 235.356 1.757 20 30 BDEDLO CN1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000335427819 384286096 /nfs/dbraw/zinc/28/60/96/384286096.db2.gz AFBIZGVUKDCNSQ-UHFFFAOYSA-N 1 2 235.356 1.757 20 30 BDEDLO Cc1cc(N[C@@H]2CS[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335512172 384294578 /nfs/dbraw/zinc/29/45/78/384294578.db2.gz PZZMAVUZSAPEAY-KOLCDFICSA-N 1 2 233.340 1.990 20 30 BDEDLO Cc1cc(NC[C@@H]2C[C@H]2C)c(C#N)c[nH+]1 ZINC000335509875 384295343 /nfs/dbraw/zinc/29/53/43/384295343.db2.gz IFKSWZCDMPUSDX-SCZZXKLOSA-N 1 2 201.273 1.752 20 30 BDEDLO C#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000364849583 533054975 /nfs/dbraw/zinc/05/49/75/533054975.db2.gz FSGRBAXEMKNPPG-CQSZACIVSA-N 1 2 242.322 1.491 20 30 BDEDLO C#CCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000364849583 533054978 /nfs/dbraw/zinc/05/49/78/533054978.db2.gz FSGRBAXEMKNPPG-CQSZACIVSA-N 1 2 242.322 1.491 20 30 BDEDLO CC[C@H](C(=O)OC)[NH+]1CCC(C#N)CC1 ZINC000145646488 384396096 /nfs/dbraw/zinc/39/60/96/384396096.db2.gz GNBJLUANXREJNZ-SNVBAGLBSA-N 1 2 210.277 1.174 20 30 BDEDLO CC#CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000172760009 384524427 /nfs/dbraw/zinc/52/44/27/384524427.db2.gz PAEMXICCVBJGMO-UHFFFAOYSA-N 1 2 240.310 1.099 20 30 BDEDLO C[N@H+](CCO)Cc1cc(F)ccc1C#N ZINC000082865048 384582075 /nfs/dbraw/zinc/58/20/75/384582075.db2.gz YQRKZUHVXYMJSV-UHFFFAOYSA-N 1 2 208.236 1.121 20 30 BDEDLO C[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000082865048 384582081 /nfs/dbraw/zinc/58/20/81/384582081.db2.gz YQRKZUHVXYMJSV-UHFFFAOYSA-N 1 2 208.236 1.121 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)NCc1[nH+]ccn1C ZINC000491769271 384618313 /nfs/dbraw/zinc/61/83/13/384618313.db2.gz KPSCAFKINLAJDP-JTQLQIEISA-N 1 2 234.303 1.021 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000491783941 384683325 /nfs/dbraw/zinc/68/33/25/384683325.db2.gz PUWQSVABLBYKLR-VXGBXAGGSA-N 1 2 223.316 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000491783941 384683334 /nfs/dbraw/zinc/68/33/34/384683334.db2.gz PUWQSVABLBYKLR-VXGBXAGGSA-N 1 2 223.316 1.278 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccnc(N)c1 ZINC000052725119 384746889 /nfs/dbraw/zinc/74/68/89/384746889.db2.gz GKFZBJURYNKRML-SECBINFHSA-N 1 2 204.277 1.255 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccnc(N)c1 ZINC000052725119 384746896 /nfs/dbraw/zinc/74/68/96/384746896.db2.gz GKFZBJURYNKRML-SECBINFHSA-N 1 2 204.277 1.255 20 30 BDEDLO Cn1cc(CNc2cccc(CO)[nH+]2)cc1C#N ZINC000432756201 384872456 /nfs/dbraw/zinc/87/24/56/384872456.db2.gz XGYBGOHDNJWTCN-UHFFFAOYSA-N 1 2 242.282 1.396 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C ZINC000491438933 384850944 /nfs/dbraw/zinc/85/09/44/384850944.db2.gz GXXWIBLXRWRDHH-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C ZINC000491438933 384850951 /nfs/dbraw/zinc/85/09/51/384850951.db2.gz GXXWIBLXRWRDHH-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C=CCNC(=O)CNc1ccc2ccccc2[nH+]1 ZINC000302060415 384960600 /nfs/dbraw/zinc/96/06/00/384960600.db2.gz RVAWZPCNEGWBTQ-UHFFFAOYSA-N 1 2 241.294 1.949 20 30 BDEDLO C=C(C)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000306435979 384946697 /nfs/dbraw/zinc/94/66/97/384946697.db2.gz FYZGIWISBLPTRQ-CWSCBRNRSA-N 1 2 201.335 1.404 20 30 BDEDLO C=C(C)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000306435979 384946702 /nfs/dbraw/zinc/94/67/02/384946702.db2.gz FYZGIWISBLPTRQ-CWSCBRNRSA-N 1 2 201.335 1.404 20 30 BDEDLO CCCC(=O)NC1CC[NH+](CCC#N)CC1 ZINC000586044310 385185982 /nfs/dbraw/zinc/18/59/82/385185982.db2.gz BDZPXHOZXWJZCL-UHFFFAOYSA-N 1 2 223.320 1.281 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000491625841 385223163 /nfs/dbraw/zinc/22/31/63/385223163.db2.gz RXRPYPRUEKCFDE-CYBMUJFWSA-N 1 2 244.338 1.993 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000491625841 385223167 /nfs/dbraw/zinc/22/31/67/385223167.db2.gz RXRPYPRUEKCFDE-CYBMUJFWSA-N 1 2 244.338 1.993 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(Br)s1 ZINC000295953225 533109942 /nfs/dbraw/zinc/10/99/42/533109942.db2.gz IUEZMXSFYUZUEA-UHFFFAOYSA-N 1 2 245.145 1.971 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(Br)s1 ZINC000295953225 533109948 /nfs/dbraw/zinc/10/99/48/533109948.db2.gz IUEZMXSFYUZUEA-UHFFFAOYSA-N 1 2 245.145 1.971 20 30 BDEDLO Cn1ncc(Cl)c1C[NH2+]CC(C)(C)C#N ZINC000308897354 385250538 /nfs/dbraw/zinc/25/05/38/385250538.db2.gz ACHLXFPVRWDYTE-UHFFFAOYSA-N 1 2 226.711 1.713 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1OC ZINC000491641728 385314557 /nfs/dbraw/zinc/31/45/57/385314557.db2.gz SNNHKRBDLGEGTR-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000491641728 385314563 /nfs/dbraw/zinc/31/45/63/385314563.db2.gz SNNHKRBDLGEGTR-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247402278 385332352 /nfs/dbraw/zinc/33/23/52/385332352.db2.gz BJDHUDZAIFIUBN-WOPDTQHZSA-N 1 2 240.347 1.176 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247402278 385332361 /nfs/dbraw/zinc/33/23/61/385332361.db2.gz BJDHUDZAIFIUBN-WOPDTQHZSA-N 1 2 240.347 1.176 20 30 BDEDLO CCOC(=O)[C@H]([NH2+]CCCC#N)[C@@H](C)CC ZINC000181649866 385411114 /nfs/dbraw/zinc/41/11/14/385411114.db2.gz ADMYXSPPDVKVRZ-WDEREUQCSA-N 1 2 226.320 1.858 20 30 BDEDLO C#C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C ZINC000491681502 385469994 /nfs/dbraw/zinc/46/99/94/385469994.db2.gz NQIXVMZPSJWPDN-VQCYPWCPSA-N 1 2 231.299 1.587 20 30 BDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000179652995 385480202 /nfs/dbraw/zinc/48/02/02/385480202.db2.gz NNTFFGUQYZQXHX-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC000179652995 385480204 /nfs/dbraw/zinc/48/02/04/385480204.db2.gz NNTFFGUQYZQXHX-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO N#CCCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171498795 385490687 /nfs/dbraw/zinc/49/06/87/385490687.db2.gz HXVKBLOHMQTGOZ-UHFFFAOYSA-N 1 2 242.282 1.758 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000172097417 385548911 /nfs/dbraw/zinc/54/89/11/385548911.db2.gz FGDZHBNENPEVLM-LBPRGKRZSA-N 1 2 222.263 1.705 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000172097417 385548916 /nfs/dbraw/zinc/54/89/16/385548916.db2.gz FGDZHBNENPEVLM-LBPRGKRZSA-N 1 2 222.263 1.705 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491740495 385754694 /nfs/dbraw/zinc/75/46/94/385754694.db2.gz DXBVCALMEVJDKM-VIFPVBQESA-N 1 2 219.288 1.116 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491740495 385754696 /nfs/dbraw/zinc/75/46/96/385754696.db2.gz DXBVCALMEVJDKM-VIFPVBQESA-N 1 2 219.288 1.116 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(CC)[nH+]cn1 ZINC000644878481 385921922 /nfs/dbraw/zinc/92/19/22/385921922.db2.gz DCTWDNONJANNOU-JQWIXIFHSA-N 1 2 233.315 1.464 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@H](C)[C@H](C)O1 ZINC000569587901 385999478 /nfs/dbraw/zinc/99/94/78/385999478.db2.gz CTIATIGZRUXHCP-UTUOFQBUSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@H](C)[C@H](C)O1 ZINC000569587901 385999485 /nfs/dbraw/zinc/99/94/85/385999485.db2.gz CTIATIGZRUXHCP-UTUOFQBUSA-N 1 2 245.326 1.951 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(C3(C)CC3)[nH]n2)CC1 ZINC000375394241 533157469 /nfs/dbraw/zinc/15/74/69/533157469.db2.gz 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/nfs/dbraw/zinc/29/79/62/386297962.db2.gz UFRCAPOERLCDNY-BDAKNGLRSA-N 1 2 232.287 1.248 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335264981 386297968 /nfs/dbraw/zinc/29/79/68/386297968.db2.gz UFRCAPOERLCDNY-BDAKNGLRSA-N 1 2 232.287 1.248 20 30 BDEDLO C=CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000048389199 386574716 /nfs/dbraw/zinc/57/47/16/386574716.db2.gz JAZTYQJYMBPJCP-UHFFFAOYSA-N 1 2 246.314 1.099 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000339756001 386592085 /nfs/dbraw/zinc/59/20/85/386592085.db2.gz ITPWLQOCWRZVIV-GFCCVEGCSA-N 1 2 222.332 1.200 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000339756001 386592088 /nfs/dbraw/zinc/59/20/88/386592088.db2.gz ITPWLQOCWRZVIV-GFCCVEGCSA-N 1 2 222.332 1.200 20 30 BDEDLO C=CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000047605317 386553579 /nfs/dbraw/zinc/55/35/79/386553579.db2.gz NDTYEANBGUFHPA-UHFFFAOYSA-N 1 2 234.303 1.133 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000328876178 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ZINC000646261427 388172784 /nfs/dbraw/zinc/17/27/84/388172784.db2.gz IMRBVMJFJCSGOJ-UHFFFAOYSA-N 1 2 249.314 1.277 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449667543 388251536 /nfs/dbraw/zinc/25/15/36/388251536.db2.gz VCAOCQWSNJURJK-AXFHLTTASA-N 1 2 224.304 1.608 20 30 BDEDLO C#CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000490831870 388256321 /nfs/dbraw/zinc/25/63/21/388256321.db2.gz YGEOPKOLRKBEHQ-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO C#CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000490831870 388256322 /nfs/dbraw/zinc/25/63/22/388256322.db2.gz YGEOPKOLRKBEHQ-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO C=CCn1cccc1C(=O)NCc1[nH+]ccn1C ZINC000488864173 388197594 /nfs/dbraw/zinc/19/75/94/388197594.db2.gz YSIUAUYPVCFKMQ-UHFFFAOYSA-N 1 2 244.298 1.338 20 30 BDEDLO C=CCn1cccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000488938604 388199392 /nfs/dbraw/zinc/19/93/92/388199392.db2.gz HKPKLZQWBDWHCA-UHFFFAOYSA-N 1 2 244.298 1.370 20 30 BDEDLO C#CC[N@@H+](Cc1nncn1C)C1CCCCC1 ZINC000490893459 388258976 /nfs/dbraw/zinc/25/89/76/388258976.db2.gz UMHXGMMVTHNMHB-UHFFFAOYSA-N 1 2 232.331 1.583 20 30 BDEDLO C#CC[N@H+](Cc1nncn1C)C1CCCCC1 ZINC000490893459 388258978 /nfs/dbraw/zinc/25/89/78/388258978.db2.gz UMHXGMMVTHNMHB-UHFFFAOYSA-N 1 2 232.331 1.583 20 30 BDEDLO CC#CC[N@@H+](CCOC)Cc1scnc1C ZINC000489461254 388215832 /nfs/dbraw/zinc/21/58/32/388215832.db2.gz IKCSLTNHUGZABZ-UHFFFAOYSA-N 1 2 238.356 1.923 20 30 BDEDLO CC#CC[N@H+](CCOC)Cc1scnc1C ZINC000489461254 388215834 /nfs/dbraw/zinc/21/58/34/388215834.db2.gz IKCSLTNHUGZABZ-UHFFFAOYSA-N 1 2 238.356 1.923 20 30 BDEDLO C=C[C@](C)(O)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456828341 388225524 /nfs/dbraw/zinc/22/55/24/388225524.db2.gz BNSRHROXPSQBHM-AWEZNQCLSA-N 1 2 248.326 1.642 20 30 BDEDLO COCC[N@H+](CC1(C#N)CC1)[C@H]1CCOC1 ZINC000490098695 388234201 /nfs/dbraw/zinc/23/42/01/388234201.db2.gz UHAYIPVZEVFIGW-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO COCC[N@@H+](CC1(C#N)CC1)[C@H]1CCOC1 ZINC000490098695 388234203 /nfs/dbraw/zinc/23/42/03/388234203.db2.gz UHAYIPVZEVFIGW-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO C#CCN(CC)C(=O)/C=C/c1[nH+]ccn1CC ZINC000490950130 388261116 /nfs/dbraw/zinc/26/11/16/388261116.db2.gz OVSHZIOYSCTTDU-BQYQJAHWSA-N 1 2 231.299 1.398 20 30 BDEDLO C#C[C@H](CC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000491315922 388285145 /nfs/dbraw/zinc/28/51/45/388285145.db2.gz QRNZVBKLXMJVJI-WSKFYRRCSA-N 1 2 231.299 1.444 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000491373304 388289728 /nfs/dbraw/zinc/28/97/28/388289728.db2.gz MSGWKJKZBVSRGO-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000491373304 388289729 /nfs/dbraw/zinc/28/97/29/388289729.db2.gz MSGWKJKZBVSRGO-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC000491376062 388289776 /nfs/dbraw/zinc/28/97/76/388289776.db2.gz YKJXAPPCEPWUBO-ZDUSSCGKSA-N 1 2 205.301 1.821 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CC1=CCCCC1 ZINC000491376062 388289778 /nfs/dbraw/zinc/28/97/78/388289778.db2.gz YKJXAPPCEPWUBO-ZDUSSCGKSA-N 1 2 205.301 1.821 20 30 BDEDLO C#C[C@H]1COCCN1c1cc(C)[nH+]c(CC)n1 ZINC000491382098 388290099 /nfs/dbraw/zinc/29/00/99/388290099.db2.gz HOQSLROZSZAPTG-NSHDSACASA-N 1 2 231.299 1.186 20 30 BDEDLO C#CC[N@H+](Cc1ncc(C#N)cn1)C1CCCC1 ZINC000491396169 388291946 /nfs/dbraw/zinc/29/19/46/388291946.db2.gz XAAYWIDXXYBGMA-UHFFFAOYSA-N 1 2 240.310 1.726 20 30 BDEDLO C#CC[N@@H+](Cc1ncc(C#N)cn1)C1CCCC1 ZINC000491396169 388291948 /nfs/dbraw/zinc/29/19/48/388291948.db2.gz XAAYWIDXXYBGMA-UHFFFAOYSA-N 1 2 240.310 1.726 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000491497644 388299374 /nfs/dbraw/zinc/29/93/74/388299374.db2.gz ZAZOPBWMGHYPKV-UHFFFAOYSA-N 1 2 248.248 1.105 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000491497644 388299376 /nfs/dbraw/zinc/29/93/76/388299376.db2.gz ZAZOPBWMGHYPKV-UHFFFAOYSA-N 1 2 248.248 1.105 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1scnc1C ZINC000491543977 388302910 /nfs/dbraw/zinc/30/29/10/388302910.db2.gz JDNXWLQAUSBOJC-LLVKDONJSA-N 1 2 236.340 1.328 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1scnc1C ZINC000491543977 388302911 /nfs/dbraw/zinc/30/29/11/388302911.db2.gz JDNXWLQAUSBOJC-LLVKDONJSA-N 1 2 236.340 1.328 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C)cc1 ZINC000491553483 388303247 /nfs/dbraw/zinc/30/32/47/388303247.db2.gz AHQLKXLUIQWLRX-AWEZNQCLSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C)cc1 ZINC000491553483 388303248 /nfs/dbraw/zinc/30/32/48/388303248.db2.gz AHQLKXLUIQWLRX-AWEZNQCLSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000491616660 388304900 /nfs/dbraw/zinc/30/49/00/388304900.db2.gz BBZFGDCBAXNYMG-NSHDSACASA-N 1 2 241.294 1.357 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NCCCc1ccccc1 ZINC000491664208 388309119 /nfs/dbraw/zinc/30/91/19/388309119.db2.gz NSUWFZPTDZYLEH-UHFFFAOYSA-N 1 2 244.338 1.300 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NCCCc1ccccc1 ZINC000491664208 388309120 /nfs/dbraw/zinc/30/91/20/388309120.db2.gz NSUWFZPTDZYLEH-UHFFFAOYSA-N 1 2 244.338 1.300 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(C)nc1C(=O)OCC ZINC000491725367 388315059 /nfs/dbraw/zinc/31/50/59/388315059.db2.gz DMVOWGRXTDCDCM-JTQLQIEISA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(C)nc1C(=O)OCC ZINC000491725367 388315060 /nfs/dbraw/zinc/31/50/60/388315060.db2.gz DMVOWGRXTDCDCM-JTQLQIEISA-N 1 2 249.314 1.050 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491735463 388315414 /nfs/dbraw/zinc/31/54/14/388315414.db2.gz MNHXGWKASQZRTL-UHFFFAOYSA-N 1 2 231.221 1.510 20 30 BDEDLO C#CC[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491735463 388315415 /nfs/dbraw/zinc/31/54/15/388315415.db2.gz MNHXGWKASQZRTL-UHFFFAOYSA-N 1 2 231.221 1.510 20 30 BDEDLO C#C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC000491733783 388316051 /nfs/dbraw/zinc/31/60/51/388316051.db2.gz KPIIDUUSMQOLIP-VXGBXAGGSA-N 1 2 247.342 1.998 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000491741681 388317020 /nfs/dbraw/zinc/31/70/20/388317020.db2.gz UUVRVWQWHGXNQO-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000491741681 388317021 /nfs/dbraw/zinc/31/70/21/388317021.db2.gz UUVRVWQWHGXNQO-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000491782802 388320764 /nfs/dbraw/zinc/32/07/64/388320764.db2.gz ONUWFDVJMUJSFV-CQSZACIVSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000491782802 388320765 /nfs/dbraw/zinc/32/07/65/388320765.db2.gz ONUWFDVJMUJSFV-CQSZACIVSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCCC1(F)F ZINC000491809949 388322737 /nfs/dbraw/zinc/32/27/37/388322737.db2.gz HEUBHMXPOITYCH-GHMZBOCLSA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCCC1(F)F ZINC000491809949 388322738 /nfs/dbraw/zinc/32/27/38/388322738.db2.gz HEUBHMXPOITYCH-GHMZBOCLSA-N 1 2 229.270 1.756 20 30 BDEDLO C#CCN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000491820946 388323798 /nfs/dbraw/zinc/32/37/98/388323798.db2.gz UAIZFEWCOYSQSE-UHFFFAOYSA-N 1 2 248.330 1.314 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@@H](C)CC#N ZINC000492316300 388341207 /nfs/dbraw/zinc/34/12/07/388341207.db2.gz GGNJSLZJXIQTCZ-GZTOBOFZSA-N 1 2 246.314 1.677 20 30 BDEDLO CCn1cc[nH+]c1C=CC(=O)NC1=NO[C@@H](C)C1 ZINC000492333272 388341645 /nfs/dbraw/zinc/34/16/45/388341645.db2.gz VZIHCIRPLNXATF-MOVJSRMASA-N 1 2 248.286 1.155 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000164683144 388396146 /nfs/dbraw/zinc/39/61/46/388396146.db2.gz PJIYUWGUDRWFNU-UHFFFAOYSA-N 1 2 237.328 1.486 20 30 BDEDLO COCC[N@H+](CC#N)C[C@@H]1CCC(F)(F)C1 ZINC000316484441 388414883 /nfs/dbraw/zinc/41/48/83/388414883.db2.gz NJALZGKDMKLGDA-SNVBAGLBSA-N 1 2 232.274 1.894 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@@H]1CCC(F)(F)C1 ZINC000316484441 388414886 /nfs/dbraw/zinc/41/48/86/388414886.db2.gz NJALZGKDMKLGDA-SNVBAGLBSA-N 1 2 232.274 1.894 20 30 BDEDLO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)on1 ZINC000517358674 388547697 /nfs/dbraw/zinc/54/76/97/388547697.db2.gz JLBGDTYLHLTFCM-JTQLQIEISA-N 1 2 218.260 1.516 20 30 BDEDLO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)on1 ZINC000517358675 388548001 /nfs/dbraw/zinc/54/80/01/388548001.db2.gz JLBGDTYLHLTFCM-SNVBAGLBSA-N 1 2 218.260 1.516 20 30 BDEDLO C#CC[N@H+](CC)Cc1nn(CC)nc1C ZINC000294791879 135186407 /nfs/dbraw/zinc/18/64/07/135186407.db2.gz KUJAKMYSNYNFEF-UHFFFAOYSA-N 1 2 206.293 1.062 20 30 BDEDLO CO[C@H](C)C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356311384 388605749 /nfs/dbraw/zinc/60/57/49/388605749.db2.gz YWYMHPZCGRRBBJ-MRVPVSSYSA-N 1 2 225.317 1.481 20 30 BDEDLO CO[C@H](C)C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356311384 388605752 /nfs/dbraw/zinc/60/57/52/388605752.db2.gz YWYMHPZCGRRBBJ-MRVPVSSYSA-N 1 2 225.317 1.481 20 30 BDEDLO C=CC[N@@H+](C)CN1Cc2c(cccc2OC)C1=O ZINC000530094047 388608114 /nfs/dbraw/zinc/60/81/14/388608114.db2.gz HIJUYIJYFKEBHE-UHFFFAOYSA-N 1 2 246.310 1.726 20 30 BDEDLO C=CC[N@H+](C)CN1Cc2c(cccc2OC)C1=O ZINC000530094047 388608115 /nfs/dbraw/zinc/60/81/15/388608115.db2.gz HIJUYIJYFKEBHE-UHFFFAOYSA-N 1 2 246.310 1.726 20 30 BDEDLO CCOC(=O)N1CCC([C@H](C)[NH2+]CC#N)CC1 ZINC000186406979 256864297 /nfs/dbraw/zinc/86/42/97/256864297.db2.gz ABNXIISOGYLDCS-JTQLQIEISA-N 1 2 239.319 1.357 20 30 BDEDLO Cn1nncc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130746186 388579464 /nfs/dbraw/zinc/57/94/64/388579464.db2.gz GZHMFOJZFGMMRS-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1nncc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130746186 388579466 /nfs/dbraw/zinc/57/94/66/388579466.db2.gz GZHMFOJZFGMMRS-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000615652506 388581603 /nfs/dbraw/zinc/58/16/03/388581603.db2.gz YOTUEAUNCWYRHV-GRYCIOLGSA-N 1 2 226.295 1.739 20 30 BDEDLO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000615652506 388581607 /nfs/dbraw/zinc/58/16/07/388581607.db2.gz YOTUEAUNCWYRHV-GRYCIOLGSA-N 1 2 226.295 1.739 20 30 BDEDLO C[C@@H]1C[C@H](Nc2ncncc2C#N)c2[nH+]ccn21 ZINC000520222969 388668118 /nfs/dbraw/zinc/66/81/18/388668118.db2.gz IEWGPCLJKRJSTA-SCZZXKLOSA-N 1 2 240.270 1.085 20 30 BDEDLO C#CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000192681741 388681187 /nfs/dbraw/zinc/68/11/87/388681187.db2.gz CUHJXLPOBGADPC-MRVPVSSYSA-N 1 2 207.277 1.651 20 30 BDEDLO Cn1c[nH+]c(CCNc2ccc(C#N)cn2)c1 ZINC000313467412 388684384 /nfs/dbraw/zinc/68/43/84/388684384.db2.gz HANYDNKTJJIMQZ-UHFFFAOYSA-N 1 2 227.271 1.341 20 30 BDEDLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@@H](CC#N)C1 ZINC000521899242 388640906 /nfs/dbraw/zinc/64/09/06/388640906.db2.gz PGOKIHNPMOZIHX-IUCAKERBSA-N 1 2 247.302 1.562 20 30 BDEDLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@@H](CC#N)C1 ZINC000521899242 388640908 /nfs/dbraw/zinc/64/09/08/388640908.db2.gz PGOKIHNPMOZIHX-IUCAKERBSA-N 1 2 247.302 1.562 20 30 BDEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ncccn1 ZINC000061947992 388647971 /nfs/dbraw/zinc/64/79/71/388647971.db2.gz MZLVOBIJFQOBDJ-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ncccn1 ZINC000061947992 388647972 /nfs/dbraw/zinc/64/79/72/388647972.db2.gz MZLVOBIJFQOBDJ-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[C@@H](Cc1ccsc1)[NH+]1CC(O)(CC#N)C1 ZINC000530389011 388652699 /nfs/dbraw/zinc/65/26/99/388652699.db2.gz JHSXGOWWDFNEKD-JTQLQIEISA-N 1 2 236.340 1.639 20 30 BDEDLO Cc1ccc(C[NH+]2CC(O)(CC#N)C2)c(C)c1 ZINC000190981029 388659414 /nfs/dbraw/zinc/65/94/14/388659414.db2.gz YJCCRDNMTABVEM-UHFFFAOYSA-N 1 2 230.311 1.764 20 30 BDEDLO COC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000276731605 388740970 /nfs/dbraw/zinc/74/09/70/388740970.db2.gz HEEBHENDQFBPNH-UHFFFAOYSA-N 1 2 247.298 1.034 20 30 BDEDLO COC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000276731605 388740974 /nfs/dbraw/zinc/74/09/74/388740974.db2.gz HEEBHENDQFBPNH-UHFFFAOYSA-N 1 2 247.298 1.034 20 30 BDEDLO N#Cc1csc(C[N@H+](C2CC2)C2COC2)c1 ZINC000449352856 388748620 /nfs/dbraw/zinc/74/86/20/388748620.db2.gz YPGVRFPSUGUMHQ-UHFFFAOYSA-N 1 2 234.324 1.983 20 30 BDEDLO N#Cc1csc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000449352856 388748622 /nfs/dbraw/zinc/74/86/22/388748622.db2.gz YPGVRFPSUGUMHQ-UHFFFAOYSA-N 1 2 234.324 1.983 20 30 BDEDLO CC[N@H+](Cc1cc(C#N)cs1)C1COC1 ZINC000449427691 388749214 /nfs/dbraw/zinc/74/92/14/388749214.db2.gz SRHLJODHHNIJIU-UHFFFAOYSA-N 1 2 222.313 1.840 20 30 BDEDLO CC[N@@H+](Cc1cc(C#N)cs1)C1COC1 ZINC000449427691 388749217 /nfs/dbraw/zinc/74/92/17/388749217.db2.gz SRHLJODHHNIJIU-UHFFFAOYSA-N 1 2 222.313 1.840 20 30 BDEDLO CCn1ncc(C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000527733793 388699875 /nfs/dbraw/zinc/69/98/75/388699875.db2.gz GQBBAHOAGSNEPA-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565182465 388923522 /nfs/dbraw/zinc/92/35/22/388923522.db2.gz PUPBONZGIBQKPY-CABZTGNLSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565182465 388923526 /nfs/dbraw/zinc/92/35/26/388923526.db2.gz PUPBONZGIBQKPY-CABZTGNLSA-N 1 2 234.303 1.397 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565208971 388926103 /nfs/dbraw/zinc/92/61/03/388926103.db2.gz LXHHXEOUIPNQKL-JTQLQIEISA-N 1 2 221.304 1.671 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565208971 388926106 /nfs/dbraw/zinc/92/61/06/388926106.db2.gz LXHHXEOUIPNQKL-JTQLQIEISA-N 1 2 221.304 1.671 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CC2(C#N)CC2)oc1C ZINC000565693729 388963771 /nfs/dbraw/zinc/96/37/71/388963771.db2.gz GHZGHFOLJHHISO-UHFFFAOYSA-N 1 2 248.282 1.768 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1cccnc1C#N)CC2 ZINC000377980600 132290055 /nfs/dbraw/zinc/29/00/55/132290055.db2.gz AHKYMTPLDCJHIR-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1cnccc1C#N)CC2 ZINC000359998197 132300280 /nfs/dbraw/zinc/30/02/80/132300280.db2.gz WEHNXSDIVIOPAV-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO CC#CC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270987793 132305522 /nfs/dbraw/zinc/30/55/22/132305522.db2.gz XVMNFOGGDPZFFX-UHFFFAOYSA-N 1 2 233.290 1.366 20 30 BDEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330294226 134000236 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ZINC000352031589 134045280 /nfs/dbraw/zinc/04/52/80/134045280.db2.gz FZGCFBFQXWPWHN-JQWIXIFHSA-N 1 2 249.339 1.815 20 30 BDEDLO Cc1[nH+]c2ccc(C(=O)N(C)CC#N)cc2n1C ZINC000336070689 134071952 /nfs/dbraw/zinc/07/19/52/134071952.db2.gz CTEXIVNHRRHYHR-UHFFFAOYSA-N 1 2 242.282 1.477 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000336088344 134077588 /nfs/dbraw/zinc/07/75/88/134077588.db2.gz JJKMLTLTJZRWLF-CYBMUJFWSA-N 1 2 232.283 1.762 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000336088344 134077589 /nfs/dbraw/zinc/07/75/89/134077589.db2.gz JJKMLTLTJZRWLF-CYBMUJFWSA-N 1 2 232.283 1.762 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333322067 134101846 /nfs/dbraw/zinc/10/18/46/134101846.db2.gz URGTZAMLXXZQMS-VHSXEESVSA-N 1 2 232.287 1.069 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333322067 134101847 /nfs/dbraw/zinc/10/18/47/134101847.db2.gz URGTZAMLXXZQMS-VHSXEESVSA-N 1 2 232.287 1.069 20 30 BDEDLO 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397946025 /nfs/dbraw/zinc/94/60/25/397946025.db2.gz XDUAZGHQHHIUPQ-STQMWFEESA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140224 397946031 /nfs/dbraw/zinc/94/60/31/397946031.db2.gz XDUAZGHQHHIUPQ-STQMWFEESA-N 1 2 246.310 1.599 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000649529776 397920387 /nfs/dbraw/zinc/92/03/87/397920387.db2.gz UZBJDFGMKFTVIS-NSHDSACASA-N 1 2 249.358 1.935 20 30 BDEDLO C#CC[N@@H+](C[C@H](O)C(F)(F)F)C1CC1 ZINC000491307063 398038615 /nfs/dbraw/zinc/03/86/15/398038615.db2.gz OSIOWMIFNCZLSU-QMMMGPOBSA-N 1 2 207.195 1.007 20 30 BDEDLO C#CC[N@H+](C[C@H](O)C(F)(F)F)C1CC1 ZINC000491307063 398038616 /nfs/dbraw/zinc/03/86/16/398038616.db2.gz OSIOWMIFNCZLSU-QMMMGPOBSA-N 1 2 207.195 1.007 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCC(C)(F)F ZINC000491407736 398040492 /nfs/dbraw/zinc/04/04/92/398040492.db2.gz SLIJNJJPDPXXLW-SECBINFHSA-N 1 2 203.232 1.366 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(C)(F)F ZINC000491407736 398040493 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COc1cn(C[N@H+](C)[C@H](C)CC#N)c(C)cc1=O ZINC000902115178 584527551 /nfs/dbraw/zinc/52/75/51/584527551.db2.gz XREXJSSGJASGTA-SNVBAGLBSA-N 1 2 249.314 1.357 20 30 BDEDLO COc1cn(C[N@@H+](C)[C@H](C)CC#N)c(C)cc1=O ZINC000902115178 584527552 /nfs/dbraw/zinc/52/75/52/584527552.db2.gz XREXJSSGJASGTA-SNVBAGLBSA-N 1 2 249.314 1.357 20 30 BDEDLO CCn1c[nH+]c(CNc2cccc(CC#N)n2)c1 ZINC000902643372 584645983 /nfs/dbraw/zinc/64/59/83/584645983.db2.gz ILTPCJFJDXDTNN-UHFFFAOYSA-N 1 2 241.298 1.976 20 30 BDEDLO N#Cc1ccnc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000902739095 584663013 /nfs/dbraw/zinc/66/30/13/584663013.db2.gz RRTFGLYMAIXQOG-NSHDSACASA-N 1 2 246.270 1.131 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002151 584716107 /nfs/dbraw/zinc/71/61/07/584716107.db2.gz WXYAKZYQMPZKKW-NXEZZACHSA-N 1 2 214.284 1.111 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903002151 584716108 /nfs/dbraw/zinc/71/61/08/584716108.db2.gz WXYAKZYQMPZKKW-NXEZZACHSA-N 1 2 214.284 1.111 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903002310 584716239 /nfs/dbraw/zinc/71/62/39/584716239.db2.gz AEKZGFZEAWXFFA-LBPRGKRZSA-N 1 2 242.338 1.845 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903002310 584716240 /nfs/dbraw/zinc/71/62/40/584716240.db2.gz AEKZGFZEAWXFFA-LBPRGKRZSA-N 1 2 242.338 1.845 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859154679 589011041 /nfs/dbraw/zinc/01/10/41/589011041.db2.gz IYRLMWDUPAQTMK-UHFFFAOYSA-N 1 2 207.252 1.956 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859154679 589011042 /nfs/dbraw/zinc/01/10/42/589011042.db2.gz IYRLMWDUPAQTMK-UHFFFAOYSA-N 1 2 207.252 1.956 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000875701040 584884681 /nfs/dbraw/zinc/88/46/81/584884681.db2.gz VOQKNXPEBLXAMV-MRVPVSSYSA-N 1 2 224.264 1.057 20 30 BDEDLO C#CCCOC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000859180493 589015203 /nfs/dbraw/zinc/01/52/03/589015203.db2.gz HPODZQRHPXCDKZ-VHSXEESVSA-N 1 2 233.271 1.638 20 30 BDEDLO CC(=[NH+]N(C)[C@H](C)CO)c1cc(N)ccc1F ZINC000842538673 584900451 /nfs/dbraw/zinc/90/04/51/584900451.db2.gz NKQDWBLTHUWKHH-MRVPVSSYSA-N 1 2 239.294 1.445 20 30 BDEDLO Fc1ccccc1N=NCc1[nH]cc[nH+]1 ZINC000731150682 584922620 /nfs/dbraw/zinc/92/26/20/584922620.db2.gz DDJOZUDDHRALNE-UHFFFAOYSA-N 1 2 204.208 1.995 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1nccs1 ZINC000734816322 584968647 /nfs/dbraw/zinc/96/86/47/584968647.db2.gz QZWPJISDRWHRQW-JTQLQIEISA-N 1 2 249.339 1.204 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1nccs1 ZINC000734816322 584968648 /nfs/dbraw/zinc/96/86/48/584968648.db2.gz QZWPJISDRWHRQW-JTQLQIEISA-N 1 2 249.339 1.204 20 30 BDEDLO CC(C)(C)C#CC(=O)OCc1cc[nH+]c(N)c1 ZINC000838371331 585055260 /nfs/dbraw/zinc/05/52/60/585055260.db2.gz LFBOJRFCMNGMNY-UHFFFAOYSA-N 1 2 232.283 1.757 20 30 BDEDLO C=CCONC(=O)NCc1c[nH+]c(C)cc1C ZINC000838714801 585067305 /nfs/dbraw/zinc/06/73/05/585067305.db2.gz NKIFCGQUUDAWFP-UHFFFAOYSA-N 1 2 235.287 1.615 20 30 BDEDLO N#CC[N@@H+](C[C@H](O)C1CC1)C1CCCC1 ZINC000838851656 585074804 /nfs/dbraw/zinc/07/48/04/585074804.db2.gz KGKKPJLCYWKETF-LBPRGKRZSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC[N@H+](C[C@H](O)C1CC1)C1CCCC1 ZINC000838851656 585074805 /nfs/dbraw/zinc/07/48/05/585074805.db2.gz KGKKPJLCYWKETF-LBPRGKRZSA-N 1 2 208.305 1.525 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCc1ccco1)C(=O)OC ZINC000839167224 585095241 /nfs/dbraw/zinc/09/52/41/585095241.db2.gz CYYIXHHAELSGKQ-YPMHNXCESA-N 1 2 249.310 1.755 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000839166947 585095393 /nfs/dbraw/zinc/09/53/93/585095393.db2.gz BJACFDCOBODZEE-AVGNSLFASA-N 1 2 237.343 1.967 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CC1CC1)C(=O)OC ZINC000839168606 585095646 /nfs/dbraw/zinc/09/56/46/585095646.db2.gz LOSJUYMAGFVDDI-GXSJLCMTSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OC ZINC000839168812 585095841 /nfs/dbraw/zinc/09/58/41/585095841.db2.gz MXLPHPHPVHCXNQ-HTAVTVPLSA-N 1 2 239.315 1.097 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000839169434 585096141 /nfs/dbraw/zinc/09/61/41/585096141.db2.gz RHZPBLIXMPRCBK-GHMZBOCLSA-N 1 2 223.316 1.720 20 30 BDEDLO N#CC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000743359292 585136172 /nfs/dbraw/zinc/13/61/72/585136172.db2.gz ZHKZYJFULJQLLQ-UHFFFAOYSA-N 1 2 222.317 1.365 20 30 BDEDLO C[C@@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000746160013 585164029 /nfs/dbraw/zinc/16/40/29/585164029.db2.gz VJBFFTKHYPWVLQ-QWRGUYRKSA-N 1 2 248.330 1.574 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)[nH]c1C ZINC000746456824 585168280 /nfs/dbraw/zinc/16/82/80/585168280.db2.gz LYFFNFKYQPPWCX-UHFFFAOYSA-N 1 2 218.300 1.769 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)[nH]c1C ZINC000746456824 585168281 /nfs/dbraw/zinc/16/82/81/585168281.db2.gz LYFFNFKYQPPWCX-UHFFFAOYSA-N 1 2 218.300 1.769 20 30 BDEDLO Nc1ncccc1C=[NH+]OCc1cccnc1 ZINC000746585791 585170223 /nfs/dbraw/zinc/17/02/23/585170223.db2.gz LEDVAQYFSWWUIA-UHFFFAOYSA-N 1 2 228.255 1.610 20 30 BDEDLO C=C(Cl)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000748457276 585193200 /nfs/dbraw/zinc/19/32/00/585193200.db2.gz LVMQDBCMGODRHJ-SECBINFHSA-N 1 2 233.695 1.003 20 30 BDEDLO C=C(Cl)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000748457276 585193201 /nfs/dbraw/zinc/19/32/01/585193201.db2.gz LVMQDBCMGODRHJ-SECBINFHSA-N 1 2 233.695 1.003 20 30 BDEDLO C#CCN(CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000749226334 585200777 /nfs/dbraw/zinc/20/07/77/585200777.db2.gz BLALMEZSUDRUIB-UHFFFAOYSA-N 1 2 242.282 1.821 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C)=C(C)C)CC1 ZINC000751383455 585229066 /nfs/dbraw/zinc/22/90/66/585229066.db2.gz UTDBIQJIRRKUIM-UHFFFAOYSA-N 1 2 220.316 1.120 20 30 BDEDLO C#CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000753943554 585272696 /nfs/dbraw/zinc/27/26/96/585272696.db2.gz KYXRUOQZKGEMIM-UHFFFAOYSA-N 1 2 243.310 1.321 20 30 BDEDLO C#CCSCCNc1cc[nH+]c2ccncc12 ZINC000754489089 585285310 /nfs/dbraw/zinc/28/53/10/585285310.db2.gz PFCRMOWFMIDBRQ-UHFFFAOYSA-N 1 2 243.335 1.830 20 30 BDEDLO Cc1cc(N=NCc2c[nH+]c[nH]2)nc(C)n1 ZINC000755647910 585303192 /nfs/dbraw/zinc/30/31/92/585303192.db2.gz GCLVZFJXGJNTPH-UHFFFAOYSA-N 1 2 216.248 1.263 20 30 BDEDLO Cc1cc(N=NCc2c[nH]c[nH+]2)nc(C)n1 ZINC000755647910 585303193 /nfs/dbraw/zinc/30/31/93/585303193.db2.gz GCLVZFJXGJNTPH-UHFFFAOYSA-N 1 2 216.248 1.263 20 30 BDEDLO Cc1ccc2[nH+]cc(C=NNCC(F)F)n2c1 ZINC000755740681 585305538 /nfs/dbraw/zinc/30/55/38/585305538.db2.gz VLMWWRQRBVPFEI-UHFFFAOYSA-N 1 2 238.241 1.831 20 30 BDEDLO C=C(Cl)C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000839577090 585330540 /nfs/dbraw/zinc/33/05/40/585330540.db2.gz ANIMCBLRCQCNMJ-SSDOTTSWSA-N 1 2 227.699 1.411 20 30 BDEDLO C#CCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000839670732 585336293 /nfs/dbraw/zinc/33/62/93/585336293.db2.gz IFEFXIGOJLAWQJ-UHFFFAOYSA-N 1 2 219.288 1.792 20 30 BDEDLO C#CCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000839670732 585336294 /nfs/dbraw/zinc/33/62/94/585336294.db2.gz IFEFXIGOJLAWQJ-UHFFFAOYSA-N 1 2 219.288 1.792 20 30 BDEDLO C#CCCCC(=O)OCCn1cc[nH+]c1 ZINC000759181816 585364916 /nfs/dbraw/zinc/36/49/16/585364916.db2.gz FCDUSCMWRWXFJQ-UHFFFAOYSA-N 1 2 206.245 1.230 20 30 BDEDLO C#CCCCC(=O)OCc1c[nH+]cn1C ZINC000759549243 585375565 /nfs/dbraw/zinc/37/55/65/585375565.db2.gz IFMQPMFAFKSSRX-UHFFFAOYSA-N 1 2 206.245 1.267 20 30 BDEDLO C#CCCO[NH+]=C(N)c1ccccc1C ZINC000760341228 585390791 /nfs/dbraw/zinc/39/07/91/585390791.db2.gz BNXFQXWKPQTWPF-UHFFFAOYSA-N 1 2 202.257 1.865 20 30 BDEDLO C#CCC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000760842837 585399218 /nfs/dbraw/zinc/39/92/18/585399218.db2.gz KNMIYTGSHKMDNU-SNVBAGLBSA-N 1 2 234.265 1.578 20 30 BDEDLO CCOC(=O)C[N@H+](CC#CCOC)CC(C)C ZINC000762918807 585439464 /nfs/dbraw/zinc/43/94/64/585439464.db2.gz ORNYMRCBTWRIDA-UHFFFAOYSA-N 1 2 241.331 1.157 20 30 BDEDLO CCOC(=O)C[N@@H+](CC#CCOC)CC(C)C ZINC000762918807 585439465 /nfs/dbraw/zinc/43/94/65/585439465.db2.gz ORNYMRCBTWRIDA-UHFFFAOYSA-N 1 2 241.331 1.157 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739396 585453330 /nfs/dbraw/zinc/45/33/30/585453330.db2.gz VNJWVEGHTKOUJE-ZYHUDNBSSA-N 1 2 248.326 1.706 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739396 585453331 /nfs/dbraw/zinc/45/33/31/585453331.db2.gz VNJWVEGHTKOUJE-ZYHUDNBSSA-N 1 2 248.326 1.706 20 30 BDEDLO C#CCN(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000763796532 585454559 /nfs/dbraw/zinc/45/45/59/585454559.db2.gz FVCMVMKYYWBCHC-UHFFFAOYSA-N 1 2 239.278 1.572 20 30 BDEDLO C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000763800293 585454573 /nfs/dbraw/zinc/45/45/73/585454573.db2.gz PGNPKYAVZBEYGQ-UHFFFAOYSA-N 1 2 231.299 1.288 20 30 BDEDLO CC#CCCCC(=O)OCc1c[nH+]cn1C ZINC000767993528 585529209 /nfs/dbraw/zinc/52/92/09/585529209.db2.gz IEOZQAJYNHANIX-UHFFFAOYSA-N 1 2 220.272 1.657 20 30 BDEDLO C=C(C)CO[NH+]=C(N)COC(C)(C)C ZINC000768931346 585546136 /nfs/dbraw/zinc/54/61/36/585546136.db2.gz KOMVRDQMGJUBMX-UHFFFAOYSA-N 1 2 200.282 1.876 20 30 BDEDLO CN(C)c1cc[nH+]cc1C=NNCC(F)(F)F ZINC000769815947 585564505 /nfs/dbraw/zinc/56/45/05/585564505.db2.gz VCEPEWYXFSGJEG-UHFFFAOYSA-N 1 2 246.236 1.633 20 30 BDEDLO C=CC[N@H+](Cn1cc[nH]c1=S)C1CC1 ZINC000771640768 585598360 /nfs/dbraw/zinc/59/83/60/585598360.db2.gz RQSBDFNVQFCTJW-UHFFFAOYSA-N 1 2 209.318 1.780 20 30 BDEDLO C=CC[N@@H+](Cn1cc[nH]c1=S)C1CC1 ZINC000771640768 585598361 /nfs/dbraw/zinc/59/83/61/585598361.db2.gz RQSBDFNVQFCTJW-UHFFFAOYSA-N 1 2 209.318 1.780 20 30 BDEDLO CC1CC(C#N)(C(=O)OCCn2cc[nH+]c2)C1 ZINC000772004808 585606549 /nfs/dbraw/zinc/60/65/49/585606549.db2.gz RIFSBKXIRGHLNO-UHFFFAOYSA-N 1 2 233.271 1.366 20 30 BDEDLO C=CC[N@@H+](CCS(=O)(=O)CCC)C1CC1 ZINC000772383214 585613981 /nfs/dbraw/zinc/61/39/81/585613981.db2.gz UVRDGOCYNUAYMR-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C=CC[N@H+](CCS(=O)(=O)CCC)C1CC1 ZINC000772383214 585613982 /nfs/dbraw/zinc/61/39/82/585613982.db2.gz UVRDGOCYNUAYMR-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(CC)o1)[C@H]1CCCO1 ZINC000775783892 585684434 /nfs/dbraw/zinc/68/44/34/585684434.db2.gz FIJXRULXLFNXQO-OUAUKWLOSA-N 1 2 249.314 1.463 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncc(CC)o1)[C@@H]1CCCO1 ZINC000775797836 585685135 /nfs/dbraw/zinc/68/51/35/585685135.db2.gz FGDWAEGHWPQEBA-RYUDHWBXSA-N 1 2 234.299 1.507 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C)c(C)o1)[C@H]1CCCO1 ZINC000775793449 585685260 /nfs/dbraw/zinc/68/52/60/585685260.db2.gz KVNWEKDRFZIPFW-NWDGAFQWSA-N 1 2 234.299 1.562 20 30 BDEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000775960861 585688392 /nfs/dbraw/zinc/68/83/92/585688392.db2.gz AQKZIYOWOOMGTR-LLVKDONJSA-N 1 2 236.315 1.518 20 30 BDEDLO N#CC1(C[N@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000775960861 585688393 /nfs/dbraw/zinc/68/83/93/585688393.db2.gz AQKZIYOWOOMGTR-LLVKDONJSA-N 1 2 236.315 1.518 20 30 BDEDLO N#C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000777104039 585708496 /nfs/dbraw/zinc/70/84/96/585708496.db2.gz VJLZOOSVOFWPDB-JTQLQIEISA-N 1 2 240.266 1.366 20 30 BDEDLO C#CCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000778264147 585730085 /nfs/dbraw/zinc/73/00/85/585730085.db2.gz RVLGYLAZEKCNCP-LBPRGKRZSA-N 1 2 222.332 1.198 20 30 BDEDLO C#CCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000778264147 585730086 /nfs/dbraw/zinc/73/00/86/585730086.db2.gz RVLGYLAZEKCNCP-LBPRGKRZSA-N 1 2 222.332 1.198 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCCOC(C)C ZINC000778553308 585737231 /nfs/dbraw/zinc/73/72/31/585737231.db2.gz BRLMVVQVHJRDEB-UHFFFAOYSA-N 1 2 210.281 1.067 20 30 BDEDLO C[C@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779878612 585769379 /nfs/dbraw/zinc/76/93/79/585769379.db2.gz LZDXABBWPGEBDZ-NSHDSACASA-N 1 2 235.331 1.438 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C#N)cn1 ZINC000780329678 585777964 /nfs/dbraw/zinc/77/79/64/585777964.db2.gz MSLFNQLUQPOQAF-LLVKDONJSA-N 1 2 239.282 1.486 20 30 BDEDLO CC(C)COC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000780335327 585777978 /nfs/dbraw/zinc/77/79/78/585777978.db2.gz RSJZUGVQWUCOLR-UHFFFAOYSA-N 1 2 238.331 1.811 20 30 BDEDLO C#CCCCCCC(=O)N1CC[NH+](CC#C)CC1 ZINC000780413125 585778942 /nfs/dbraw/zinc/77/89/42/585778942.db2.gz WZQLNSLRLHNZAW-UHFFFAOYSA-N 1 2 246.354 1.348 20 30 BDEDLO Cc1oncc1C[NH+]1CCN(CCC#N)CC1 ZINC000782522962 585819628 /nfs/dbraw/zinc/81/96/28/585819628.db2.gz NANGZSNOKBDLNN-UHFFFAOYSA-N 1 2 234.303 1.014 20 30 BDEDLO Cc1cc(N2CCC[C@](C)(C#N)C2)nc(N)[nH+]1 ZINC000784205910 585852888 /nfs/dbraw/zinc/85/28/88/585852888.db2.gz QVTNBAMJKZGCRE-GFCCVEGCSA-N 1 2 231.303 1.497 20 30 BDEDLO C#CCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787370406 585908076 /nfs/dbraw/zinc/90/80/76/585908076.db2.gz UDKQSPIXEZBGOJ-VIFPVBQESA-N 1 2 203.232 1.102 20 30 BDEDLO C#CCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787370406 585908077 /nfs/dbraw/zinc/90/80/77/585908077.db2.gz UDKQSPIXEZBGOJ-VIFPVBQESA-N 1 2 203.232 1.102 20 30 BDEDLO COc1cccc(N=NC(C)c2[nH]cc[nH+]2)n1 ZINC000790174197 585959557 /nfs/dbraw/zinc/95/95/57/585959557.db2.gz PRBBGIOULSLUFJ-UHFFFAOYSA-N 1 2 231.259 1.649 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccccc1[N+](=O)[O-] ZINC000790303397 585963021 /nfs/dbraw/zinc/96/30/21/585963021.db2.gz TYYNJXMAHJPIQQ-UHFFFAOYSA-N 1 2 245.242 1.774 20 30 BDEDLO C=Cn1cc(C=NNc2[nH+]ccn2C)cn1 ZINC000790301766 585963081 /nfs/dbraw/zinc/96/30/81/585963081.db2.gz IKKYVCKLJYEHMA-UHFFFAOYSA-N 1 2 216.248 1.163 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc([N+](=O)[O-])cc1 ZINC000790303652 585963496 /nfs/dbraw/zinc/96/34/96/585963496.db2.gz WOOYIJFYEYBMKC-UHFFFAOYSA-N 1 2 245.242 1.774 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792236658 585998272 /nfs/dbraw/zinc/99/82/72/585998272.db2.gz PENAKCHDFFPAFP-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792236658 585998273 /nfs/dbraw/zinc/99/82/73/585998273.db2.gz PENAKCHDFFPAFP-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO NC(=[NH+]O[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000794521154 586041464 /nfs/dbraw/zinc/04/14/64/586041464.db2.gz YZIWSXGRAXYHAS-JTQLQIEISA-N 1 2 240.690 1.766 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ncccc1F ZINC000794985168 586061898 /nfs/dbraw/zinc/06/18/98/586061898.db2.gz RTWSOCRBVOWWII-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO C=C(C)CCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000795208472 586071983 /nfs/dbraw/zinc/07/19/83/586071983.db2.gz HAZHZFMLYOBJBT-UHFFFAOYSA-N 1 2 227.308 1.366 20 30 BDEDLO Cn1c[nH+]c(/C=C2\CCc3c(cnn3C)C2=O)c1 ZINC000798231459 586141374 /nfs/dbraw/zinc/14/13/74/586141374.db2.gz LOVFFDSMARXVNV-WEVVVXLNSA-N 1 2 242.282 1.366 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000798419950 586143417 /nfs/dbraw/zinc/14/34/17/586143417.db2.gz XGRZYMSYMSFTNC-LLVKDONJSA-N 1 2 247.342 1.960 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000798419160 586143654 /nfs/dbraw/zinc/14/36/54/586143654.db2.gz BOGANTSEIMJGRM-LLVKDONJSA-N 1 2 231.299 1.540 20 30 BDEDLO C#CCN(CC#N)Cc1cn2cccc(C)c2[nH+]1 ZINC000799201573 586167961 /nfs/dbraw/zinc/16/79/61/586167961.db2.gz FEZIRYQZWBDOQK-UHFFFAOYSA-N 1 2 238.294 1.602 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799299047 586169267 /nfs/dbraw/zinc/16/92/67/586169267.db2.gz TWUQUXBTCHYRFT-CABZTGNLSA-N 1 2 237.278 1.346 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799299047 586169270 /nfs/dbraw/zinc/16/92/70/586169270.db2.gz TWUQUXBTCHYRFT-CABZTGNLSA-N 1 2 237.278 1.346 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799299046 586169869 /nfs/dbraw/zinc/16/98/69/586169869.db2.gz TWUQUXBTCHYRFT-BXKDBHETSA-N 1 2 237.278 1.346 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799299046 586169872 /nfs/dbraw/zinc/16/98/72/586169872.db2.gz TWUQUXBTCHYRFT-BXKDBHETSA-N 1 2 237.278 1.346 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799305255 586170275 /nfs/dbraw/zinc/17/02/75/586170275.db2.gz RVQUVGLOWJUHBZ-JOYOIKCWSA-N 1 2 237.278 1.488 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799305255 586170277 /nfs/dbraw/zinc/17/02/77/586170277.db2.gz RVQUVGLOWJUHBZ-JOYOIKCWSA-N 1 2 237.278 1.488 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cn1 ZINC000799306157 586170340 /nfs/dbraw/zinc/17/03/40/586170340.db2.gz SWHLGPOMTGORDT-NSHDSACASA-N 1 2 223.251 1.100 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cn1 ZINC000799306157 586170343 /nfs/dbraw/zinc/17/03/43/586170343.db2.gz SWHLGPOMTGORDT-NSHDSACASA-N 1 2 223.251 1.100 20 30 BDEDLO CC[C@@H](C)[NH2+]NC1=CC(=O)N2CCC[C@H]12 ZINC000799484747 586176587 /nfs/dbraw/zinc/17/65/87/586176587.db2.gz COKGPWMVZNFYLT-PSASIEDQSA-N 1 2 209.293 1.125 20 30 BDEDLO O=C1C=C(N[NH2+]C2CCCCC2)[C@H]2CCCN12 ZINC000799486427 586179697 /nfs/dbraw/zinc/17/96/97/586179697.db2.gz ZVKIGPABCHENRZ-GFCCVEGCSA-N 1 2 235.331 1.659 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCCC(C)(C)C#N ZINC000799961438 586203619 /nfs/dbraw/zinc/20/36/19/586203619.db2.gz NJUMZLUJXBLXKH-MRVPVSSYSA-N 1 2 213.281 1.460 20 30 BDEDLO CC#CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000801182937 586245506 /nfs/dbraw/zinc/24/55/06/586245506.db2.gz TWVIZYWMMGHLKR-SECBINFHSA-N 1 2 203.245 1.097 20 30 BDEDLO CC#CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000801285704 586251834 /nfs/dbraw/zinc/25/18/34/586251834.db2.gz XFHDBAKKAFUARW-GFCCVEGCSA-N 1 2 230.267 1.085 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801559723 586262285 /nfs/dbraw/zinc/26/22/85/586262285.db2.gz KWRZWLPXECDFLG-VIFPVBQESA-N 1 2 205.248 1.919 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801559723 586262286 /nfs/dbraw/zinc/26/22/86/586262286.db2.gz KWRZWLPXECDFLG-VIFPVBQESA-N 1 2 205.248 1.919 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562202 586262470 /nfs/dbraw/zinc/26/24/70/586262470.db2.gz XFTOEQZSTBNETI-UWVGGRQHSA-N 1 2 217.259 1.754 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562202 586262474 /nfs/dbraw/zinc/26/24/74/586262474.db2.gz XFTOEQZSTBNETI-UWVGGRQHSA-N 1 2 217.259 1.754 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478150 589039744 /nfs/dbraw/zinc/03/97/44/589039744.db2.gz RZAWTMDYNYBBTM-JTQLQIEISA-N 1 2 232.283 1.636 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478150 589039745 /nfs/dbraw/zinc/03/97/45/589039745.db2.gz RZAWTMDYNYBBTM-JTQLQIEISA-N 1 2 232.283 1.636 20 30 BDEDLO C[C@H](C#N)OCCO[NH+]=C(N)Cc1ccccc1 ZINC000802729939 586311143 /nfs/dbraw/zinc/31/11/43/586311143.db2.gz SWTWJHCBCCPYID-LLVKDONJSA-N 1 2 247.298 1.656 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)OCc1cc[nH+]c(N)c1 ZINC000803783846 586374691 /nfs/dbraw/zinc/37/46/91/586374691.db2.gz GBROXEPCHGOSDA-LBPRGKRZSA-N 1 2 233.271 1.647 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)OCCCn1cc[nH+]c1 ZINC000803787067 586375637 /nfs/dbraw/zinc/37/56/37/586375637.db2.gz SZBQUMCRZCGOHQ-LBPRGKRZSA-N 1 2 235.287 1.756 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000840047793 586396360 /nfs/dbraw/zinc/39/63/60/586396360.db2.gz MVPGCWHIIROVAM-STQMWFEESA-N 1 2 234.343 1.709 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000840047793 586396362 /nfs/dbraw/zinc/39/63/62/586396362.db2.gz MVPGCWHIIROVAM-STQMWFEESA-N 1 2 234.343 1.709 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@H]1CCSC1 ZINC000808003679 586455618 /nfs/dbraw/zinc/45/56/18/586455618.db2.gz SGLDLZOORTXAGK-QMMMGPOBSA-N 1 2 210.306 1.147 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC000814106811 586614123 /nfs/dbraw/zinc/61/41/23/586614123.db2.gz MTGUPUGYEHVDDR-UHFFFAOYSA-N 1 2 234.343 1.366 20 30 BDEDLO CC(N=Nc1ncncc1F)c1ccc(N)[nH+]c1 ZINC000814939725 586655386 /nfs/dbraw/zinc/65/53/86/586655386.db2.gz CLTHEACDEALARR-UHFFFAOYSA-N 1 2 246.249 1.429 20 30 BDEDLO C[C@H](O)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000814960278 586658928 /nfs/dbraw/zinc/65/89/28/586658928.db2.gz PUPMYEQNFRNUFF-NSHDSACASA-N 1 2 244.298 1.177 20 30 BDEDLO C=CCC(F)(F)C(=O)OCc1cc[nH+]c(N)c1 ZINC000815313386 586678579 /nfs/dbraw/zinc/67/85/79/586678579.db2.gz FGSWNRRDHYKAGA-UHFFFAOYSA-N 1 2 242.225 1.918 20 30 BDEDLO C#CCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000816652392 586752234 /nfs/dbraw/zinc/75/22/34/586752234.db2.gz JEKOTHILLGBHTE-UHFFFAOYSA-N 1 2 217.272 1.098 20 30 BDEDLO C#CCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000816652392 586752235 /nfs/dbraw/zinc/75/22/35/586752235.db2.gz JEKOTHILLGBHTE-UHFFFAOYSA-N 1 2 217.272 1.098 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816719193 586760097 /nfs/dbraw/zinc/76/00/97/586760097.db2.gz SBUWWHMKTKZTJU-SECBINFHSA-N 1 2 219.288 1.636 20 30 BDEDLO CON1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000817708321 586818374 /nfs/dbraw/zinc/81/83/74/586818374.db2.gz WPPUENNQXQEIBT-GXDHUFHOSA-N 1 2 234.299 1.837 20 30 BDEDLO C=CCONC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817785443 586828266 /nfs/dbraw/zinc/82/82/66/586828266.db2.gz IINCWAWHCVDILG-UHFFFAOYSA-N 1 2 235.287 1.615 20 30 BDEDLO C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)[O-])CC1 ZINC000819713197 586988173 /nfs/dbraw/zinc/98/81/73/586988173.db2.gz BCWALCYDYWXTFE-JTQLQIEISA-N 1 2 226.320 1.090 20 30 BDEDLO C[C@@H](NN=Cc1c[nH+]cn1C)c1ccncc1 ZINC000819815820 586998789 /nfs/dbraw/zinc/99/87/89/586998789.db2.gz DAZRDLJUOYBNCR-SNVBAGLBSA-N 1 2 229.287 1.500 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000819972126 587009483 /nfs/dbraw/zinc/00/94/83/587009483.db2.gz WPGQOUOKDCMJKD-GFCCVEGCSA-N 1 2 247.342 1.998 20 30 BDEDLO C=C(Cl)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000820111005 587022608 /nfs/dbraw/zinc/02/26/08/587022608.db2.gz ICBSIQRJJMSKMU-UHFFFAOYSA-N 1 2 227.695 1.383 20 30 BDEDLO C#CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820347126 587044674 /nfs/dbraw/zinc/04/46/74/587044674.db2.gz VPHUZBBCCUNABT-NXEZZACHSA-N 1 2 217.272 1.043 20 30 BDEDLO C#CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820347126 587044675 /nfs/dbraw/zinc/04/46/75/587044675.db2.gz VPHUZBBCCUNABT-NXEZZACHSA-N 1 2 217.272 1.043 20 30 BDEDLO C#C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000820401025 587046375 /nfs/dbraw/zinc/04/63/75/587046375.db2.gz UTHMERKVZWJJGG-AEJSXWLSSA-N 1 2 232.287 1.210 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000820647045 587061585 /nfs/dbraw/zinc/06/15/85/587061585.db2.gz MSWIMPHVXSBSBX-NSHDSACASA-N 1 2 248.330 1.363 20 30 BDEDLO Cn1cc(C(=O)/C=C\c2ccc(N)[nH+]c2)cn1 ZINC000821038733 587090618 /nfs/dbraw/zinc/09/06/18/587090618.db2.gz LZNHMJXARWIZPU-RQOWECAXSA-N 1 2 228.255 1.293 20 30 BDEDLO C=CC(C)(C)CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821428780 587119533 /nfs/dbraw/zinc/11/95/33/587119533.db2.gz TWNAXBORROMUCJ-SREVYHEPSA-N 1 2 233.315 1.762 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822398283 587166117 /nfs/dbraw/zinc/16/61/17/587166117.db2.gz XVBHNJORBBTAJI-HBNTYKKESA-N 1 2 231.299 1.431 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822398283 587166118 /nfs/dbraw/zinc/16/61/18/587166118.db2.gz XVBHNJORBBTAJI-HBNTYKKESA-N 1 2 231.299 1.431 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000823235998 587210632 /nfs/dbraw/zinc/21/06/32/587210632.db2.gz IIUDLBSMTSMSPP-BXXZLRJFSA-N 1 2 244.298 1.242 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000826075087 587350264 /nfs/dbraw/zinc/35/02/64/587350264.db2.gz OTGJUIYNIDOYCT-NSHDSACASA-N 1 2 247.342 1.938 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000826075087 587350265 /nfs/dbraw/zinc/35/02/65/587350265.db2.gz OTGJUIYNIDOYCT-NSHDSACASA-N 1 2 247.342 1.938 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@@H]1C ZINC000826990548 587367273 /nfs/dbraw/zinc/36/72/73/587367273.db2.gz IOWSFNXWRIICGU-RYUDHWBXSA-N 1 2 237.343 1.919 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@@H]1C ZINC000826990548 587367274 /nfs/dbraw/zinc/36/72/74/587367274.db2.gz IOWSFNXWRIICGU-RYUDHWBXSA-N 1 2 237.343 1.919 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC000827518992 587385869 /nfs/dbraw/zinc/38/58/69/587385869.db2.gz HDBLUEZSKPUPMM-GFCCVEGCSA-N 1 2 234.343 1.200 20 30 BDEDLO CO[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000827976373 587414695 /nfs/dbraw/zinc/41/46/95/587414695.db2.gz PSXHMRNELSJALG-GFCCVEGCSA-N 1 2 217.272 1.174 20 30 BDEDLO CO[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000827976373 587414697 /nfs/dbraw/zinc/41/46/97/587414697.db2.gz PSXHMRNELSJALG-GFCCVEGCSA-N 1 2 217.272 1.174 20 30 BDEDLO CC(C)C#CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000828405731 587440452 /nfs/dbraw/zinc/44/04/52/587440452.db2.gz ZZHZINZSRLJGEL-LBPRGKRZSA-N 1 2 233.315 1.295 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000829815548 587519646 /nfs/dbraw/zinc/51/96/46/587519646.db2.gz OFHAPNIJHPIROG-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000829815548 587519647 /nfs/dbraw/zinc/51/96/47/587519647.db2.gz OFHAPNIJHPIROG-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000829815548 587519650 /nfs/dbraw/zinc/51/96/50/587519650.db2.gz OFHAPNIJHPIROG-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000829815548 587519652 /nfs/dbraw/zinc/51/96/52/587519652.db2.gz OFHAPNIJHPIROG-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000829815548 587519654 /nfs/dbraw/zinc/51/96/54/587519654.db2.gz OFHAPNIJHPIROG-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000829815548 587519656 /nfs/dbraw/zinc/51/96/56/587519656.db2.gz OFHAPNIJHPIROG-JTQLQIEISA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000830345693 587547032 /nfs/dbraw/zinc/54/70/32/587547032.db2.gz NMTTWALYLMASBC-UHFFFAOYSA-N 1 2 221.329 1.692 20 30 BDEDLO Cc1ccc(NC(=O)[C@H](C)CC#N)c(N(C)C)[nH+]1 ZINC000830891488 587575346 /nfs/dbraw/zinc/57/53/46/587575346.db2.gz XIRDLBSJDNUDLD-SECBINFHSA-N 1 2 246.314 1.944 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)OCC(C)C ZINC000831835233 587633579 /nfs/dbraw/zinc/63/35/79/587633579.db2.gz PZWZHEFEDMIBMJ-NEPJUHHUSA-N 1 2 241.331 1.509 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1CCn2ccnc21)[C@H]1CCCO1 ZINC000834770528 587766488 /nfs/dbraw/zinc/76/64/88/587766488.db2.gz VIYWBYPHUUAXFF-QJPTWQEYSA-N 1 2 231.299 1.098 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000834770550 587766508 /nfs/dbraw/zinc/76/65/08/587766508.db2.gz VMNQFKHLPQVRGK-WUHRBBMRSA-N 1 2 245.326 1.659 20 30 BDEDLO C=CCCCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836434122 587833115 /nfs/dbraw/zinc/83/31/15/587833115.db2.gz SNMXPYICVWKPLA-JTQLQIEISA-N 1 2 234.303 1.593 20 30 BDEDLO Cc1cn2cc(NC(=O)C#CC3CC3)ccc2[nH+]1 ZINC000837385472 587869799 /nfs/dbraw/zinc/86/97/99/587869799.db2.gz XYQHSRSDOROLPN-UHFFFAOYSA-N 1 2 239.278 1.995 20 30 BDEDLO C[C@@]1(C/[NH+]=C/c2ccccc2O)CCC(=O)N1 ZINC000840708356 587917059 /nfs/dbraw/zinc/91/70/59/587917059.db2.gz AJHUKVOMEFKLAD-JGWKKKPCSA-N 1 2 232.283 1.480 20 30 BDEDLO CC([NH2+]Nc1nc[nH]n1)=C1CC1(F)F ZINC000841637965 587964589 /nfs/dbraw/zinc/96/45/89/587964589.db2.gz MLJVNCVQIZUSFV-YFKPBYRVSA-N 1 2 201.180 1.248 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN1CCC[C@H]1CO ZINC000841657374 587968652 /nfs/dbraw/zinc/96/86/52/587968652.db2.gz JYRASMVHOVFUTC-AWEZNQCLSA-N 1 2 247.342 1.765 20 30 BDEDLO Cc1cc(C(N)=[NH+]OCC[C@H](C)O)ccc1F ZINC000842023094 587988920 /nfs/dbraw/zinc/98/89/20/587988920.db2.gz SPFOQDQHAKVYBI-VIFPVBQESA-N 1 2 240.278 1.542 20 30 BDEDLO C=CCCCCO[NH+]=C(N)[C@@H](C)OC ZINC000842036989 587991880 /nfs/dbraw/zinc/99/18/80/587991880.db2.gz SKHRUSBQHHXPLP-SECBINFHSA-N 1 2 200.282 1.876 20 30 BDEDLO C=CCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842659406 588050058 /nfs/dbraw/zinc/05/00/58/588050058.db2.gz COGZULQUPFUZGS-SNVBAGLBSA-N 1 2 228.292 1.114 20 30 BDEDLO C=C(C)CCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655534 588050322 /nfs/dbraw/zinc/05/03/22/588050322.db2.gz FVZIMTDSFPMQBF-NSHDSACASA-N 1 2 242.319 1.647 20 30 BDEDLO C=C(C)[C@H](Cc1nc(C[NH2+]CC)no1)OCC ZINC000843145197 588086627 /nfs/dbraw/zinc/08/66/27/588086627.db2.gz WDUCQSBZTXFUEV-JTQLQIEISA-N 1 2 239.319 1.703 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000843677370 588131953 /nfs/dbraw/zinc/13/19/53/588131953.db2.gz FCQSHLRCWXZIJZ-ZDUSSCGKSA-N 1 2 245.326 1.535 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C/C2CCCC2)CC1 ZINC000843798636 588141119 /nfs/dbraw/zinc/14/11/19/588141119.db2.gz XWRRGOITUMVMIN-BQYQJAHWSA-N 1 2 246.354 1.510 20 30 BDEDLO C#CC[N@H+](Cc1cc2n(n1)CCCC2)C1CC1 ZINC000844316242 588183675 /nfs/dbraw/zinc/18/36/75/588183675.db2.gz DITCMOPCEFRTOB-UHFFFAOYSA-N 1 2 229.327 1.817 20 30 BDEDLO C#CC[N@@H+](Cc1cc2n(n1)CCCC2)C1CC1 ZINC000844316242 588183677 /nfs/dbraw/zinc/18/36/77/588183677.db2.gz DITCMOPCEFRTOB-UHFFFAOYSA-N 1 2 229.327 1.817 20 30 BDEDLO C=C(C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278101 588225063 /nfs/dbraw/zinc/22/50/63/588225063.db2.gz LRHVXZPRAHFCHO-JTQLQIEISA-N 1 2 208.261 1.954 20 30 BDEDLO C#C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000845498836 588230997 /nfs/dbraw/zinc/23/09/97/588230997.db2.gz KCFREFPQOLPRRJ-CMPLNLGQSA-N 1 2 232.283 1.789 20 30 BDEDLO Cc1cc(NCC2(C#N)CCCC2)nc(N)[nH+]1 ZINC000845615916 588236484 /nfs/dbraw/zinc/23/64/84/588236484.db2.gz DQQLJKGOIKCOPU-UHFFFAOYSA-N 1 2 231.303 1.863 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000846539688 588272765 /nfs/dbraw/zinc/27/27/65/588272765.db2.gz LMENNEPEGSLQGD-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000847022499 588303228 /nfs/dbraw/zinc/30/32/28/588303228.db2.gz HWNPJUBROUKJHT-JTQLQIEISA-N 1 2 205.261 1.223 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000847022499 588303229 /nfs/dbraw/zinc/30/32/29/588303229.db2.gz HWNPJUBROUKJHT-JTQLQIEISA-N 1 2 205.261 1.223 20 30 BDEDLO C#CCC[NH2+]C(C)(C)C(=O)OCCCC ZINC000847065318 588305626 /nfs/dbraw/zinc/30/56/26/588305626.db2.gz XMAUZMUQNZVLAG-UHFFFAOYSA-N 1 2 211.305 1.721 20 30 BDEDLO CC(Cn1cccn1)=NNCCCn1cc[nH+]c1 ZINC000848416550 588381447 /nfs/dbraw/zinc/38/14/47/588381447.db2.gz OYDKNBCZYGEORR-UHFFFAOYSA-N 1 2 246.318 1.135 20 30 BDEDLO CC1(C)CC(=NNCCCn2cc[nH+]c2)CO1 ZINC000848416611 588381653 /nfs/dbraw/zinc/38/16/53/588381653.db2.gz RHYSPSITROAMKA-UHFFFAOYSA-N 1 2 236.319 1.418 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1nccs1 ZINC000848416769 588381774 /nfs/dbraw/zinc/38/17/74/588381774.db2.gz XGHZFVDIVCXSNV-UHFFFAOYSA-N 1 2 235.316 1.353 20 30 BDEDLO Cc1n[nH]c(C)c1C=NNCCCn1cc[nH+]c1 ZINC000848417702 588382209 /nfs/dbraw/zinc/38/22/09/588382209.db2.gz DFDHUVAYHXHXPQ-UHFFFAOYSA-N 1 2 246.318 1.237 20 30 BDEDLO C[C@H](CC#N)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000850998208 588582911 /nfs/dbraw/zinc/58/29/11/588582911.db2.gz NXNDPUOQWFPLFW-NXEZZACHSA-N 1 2 228.267 1.123 20 30 BDEDLO C[C@H](CC#N)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000850998208 588582912 /nfs/dbraw/zinc/58/29/12/588582912.db2.gz NXNDPUOQWFPLFW-NXEZZACHSA-N 1 2 228.267 1.123 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H]1CCCCO1 ZINC000110055309 588609749 /nfs/dbraw/zinc/60/97/49/588609749.db2.gz KESFKMGWPNCWCH-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H]1CCCCO1 ZINC000110055309 588609750 /nfs/dbraw/zinc/60/97/50/588609750.db2.gz KESFKMGWPNCWCH-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)C[C@H](O)c1ccccn1 ZINC000851741293 588621521 /nfs/dbraw/zinc/62/15/21/588621521.db2.gz DAIXIDRJEJFLEE-YPMHNXCESA-N 1 2 233.315 1.597 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)c1ccccn1 ZINC000851741293 588621522 /nfs/dbraw/zinc/62/15/22/588621522.db2.gz DAIXIDRJEJFLEE-YPMHNXCESA-N 1 2 233.315 1.597 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C)nc(C)n1 ZINC000851793857 588629066 /nfs/dbraw/zinc/62/90/66/588629066.db2.gz LPLGLBAFELUARY-UHFFFAOYSA-N 1 2 213.284 1.162 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC000851799972 588630051 /nfs/dbraw/zinc/63/00/51/588630051.db2.gz UBLVFEVMNXKGFE-VIFPVBQESA-N 1 2 206.293 1.383 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC000851799972 588630052 /nfs/dbraw/zinc/63/00/52/588630052.db2.gz UBLVFEVMNXKGFE-VIFPVBQESA-N 1 2 206.293 1.383 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1coc(C)n1)[C@H]1CCCO1 ZINC000851950646 588646990 /nfs/dbraw/zinc/64/69/90/588646990.db2.gz QTJUPJXCGBOQJY-VXGBXAGGSA-N 1 2 220.272 1.253 20 30 BDEDLO C#CCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852019737 588655909 /nfs/dbraw/zinc/65/59/09/588655909.db2.gz FOUWXQJCMROUOJ-UHFFFAOYSA-N 1 2 235.714 1.867 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1occc1C(=O)OC ZINC000852098879 588662537 /nfs/dbraw/zinc/66/25/37/588662537.db2.gz YILYKVUEUMACGP-ZDUSSCGKSA-N 1 2 235.283 1.958 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnnn1C(C)(C)C ZINC000852101590 588662989 /nfs/dbraw/zinc/66/29/89/588662989.db2.gz RGJJFQMONISNRM-LBPRGKRZSA-N 1 2 235.335 1.320 20 30 BDEDLO C#C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000852304061 588677544 /nfs/dbraw/zinc/67/75/44/588677544.db2.gz FWCWKKLCGWYYEA-WDEREUQCSA-N 1 2 248.330 1.438 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000852687829 588696528 /nfs/dbraw/zinc/69/65/28/588696528.db2.gz VYZBDROIAXWTHB-ZDUSSCGKSA-N 1 2 242.282 1.958 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000852687829 588696529 /nfs/dbraw/zinc/69/65/29/588696529.db2.gz VYZBDROIAXWTHB-ZDUSSCGKSA-N 1 2 242.282 1.958 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccns1 ZINC000863126103 589261147 /nfs/dbraw/zinc/26/11/47/589261147.db2.gz DHEZHXNJEKRYIH-UHFFFAOYSA-N 1 2 249.343 1.744 20 30 BDEDLO COC(=O)C1CC(/[NH+]=C/c2ccccc2O)C1 ZINC000864347052 589354800 /nfs/dbraw/zinc/35/48/00/589354800.db2.gz JEVQSFYEYYAQPZ-RIYZIHGNSA-N 1 2 233.267 1.763 20 30 BDEDLO C=CCNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864420324 589358407 /nfs/dbraw/zinc/35/84/07/589358407.db2.gz OEPRCQPSFMBZLO-SECBINFHSA-N 1 2 232.274 1.266 20 30 BDEDLO C=CCNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864420324 589358410 /nfs/dbraw/zinc/35/84/10/589358410.db2.gz OEPRCQPSFMBZLO-SECBINFHSA-N 1 2 232.274 1.266 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(Cl)cn1 ZINC000120274542 589398476 /nfs/dbraw/zinc/39/84/76/589398476.db2.gz QHNDVPABAYVFHQ-ZETCQYMHSA-N 1 2 243.694 1.559 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(C#N)c1 ZINC000864884552 589399639 /nfs/dbraw/zinc/39/96/39/589399639.db2.gz NAOCQLCAKSFKPM-SECBINFHSA-N 1 2 244.254 1.166 20 30 BDEDLO Cn1cc(C(=O)/C=C/c2cn(C3CC3)c[nH+]2)nn1 ZINC000865226071 589414541 /nfs/dbraw/zinc/41/45/41/589414541.db2.gz OVIDNJCHUVJFQN-GORDUTHDSA-N 1 2 243.270 1.243 20 30 BDEDLO C#C[C@@H](CC)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865724156 589458478 /nfs/dbraw/zinc/45/84/78/589458478.db2.gz JEGIXFVVNUDLFX-ZETCQYMHSA-N 1 2 234.690 1.857 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(F)=C\CC)CC1 ZINC000865795779 589462165 /nfs/dbraw/zinc/46/21/65/589462165.db2.gz NDGNORYLJIFWMW-VZUCSPMQSA-N 1 2 224.279 1.027 20 30 BDEDLO C[C@@H](O)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866267574 589483677 /nfs/dbraw/zinc/48/36/77/589483677.db2.gz MAIHHHLFALMITO-NXEZZACHSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000866308484 589485609 /nfs/dbraw/zinc/48/56/09/589485609.db2.gz COYCYLFDJFBJKN-MWLCHTKSSA-N 1 2 232.283 1.703 20 30 BDEDLO CC[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866362947 589488156 /nfs/dbraw/zinc/48/81/56/589488156.db2.gz FXCRSZSNMJVHRJ-ONGXEEELSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc(C#N)c1O ZINC000866369641 589488449 /nfs/dbraw/zinc/48/84/49/589488449.db2.gz LYEINKYKDYQTMQ-ZWKOPEQDSA-N 1 2 246.310 1.828 20 30 BDEDLO CON(C)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866387241 589489251 /nfs/dbraw/zinc/48/92/51/589489251.db2.gz OIYCVYMIQBHGGH-SNVBAGLBSA-N 1 2 249.314 1.408 20 30 BDEDLO C#CCCCO[NH+]=C(N)COC1CCC1 ZINC000871776086 589814095 /nfs/dbraw/zinc/81/40/95/589814095.db2.gz RDSDDOSPPSLVGV-UHFFFAOYSA-N 1 2 210.277 1.467 20 30 BDEDLO C(=NOC[C@H]1CCOC1)c1c[nH]c2nc[nH+]cc12 ZINC000872368008 589922693 /nfs/dbraw/zinc/92/26/93/589922693.db2.gz OFLMWQNGESULCL-VIFPVBQESA-N 1 2 246.270 1.297 20 30 BDEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000874352058 590105402 /nfs/dbraw/zinc/10/54/02/590105402.db2.gz QEHFIVZJRWJIGQ-GHMZBOCLSA-N 1 2 233.315 1.936 20 30 BDEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000874352058 590105406 /nfs/dbraw/zinc/10/54/06/590105406.db2.gz QEHFIVZJRWJIGQ-GHMZBOCLSA-N 1 2 233.315 1.936 20 30 BDEDLO CCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000125471713 590165372 /nfs/dbraw/zinc/16/53/72/590165372.db2.gz BAWSBGARFDNZSC-UHFFFAOYSA-N 1 2 200.188 1.622 20 30 BDEDLO N#CCC[NH2+]Cc1cccnc1Br ZINC000877483479 590337922 /nfs/dbraw/zinc/33/79/22/590337922.db2.gz MVBVNWIIZLKEMM-UHFFFAOYSA-N 1 2 240.104 1.847 20 30 BDEDLO CN(C)c1ccc(F)cc1C[NH2+]CCC#N ZINC000877482564 590337997 /nfs/dbraw/zinc/33/79/97/590337997.db2.gz CLVZOBXGNKPTFT-UHFFFAOYSA-N 1 2 221.279 1.895 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)COC(C)C)C(=O)OC ZINC000877689452 590391623 /nfs/dbraw/zinc/39/16/23/590391623.db2.gz GPCHHIVPGOSVKZ-NWDGAFQWSA-N 1 2 243.347 1.897 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)COC(C)C)C(=O)OC ZINC000877689450 590391745 /nfs/dbraw/zinc/39/17/45/590391745.db2.gz GPCHHIVPGOSVKZ-NEPJUHHUSA-N 1 2 243.347 1.897 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000877690304 590392357 /nfs/dbraw/zinc/39/23/57/590392357.db2.gz QGYAXPRDPYTAJP-GFCCVEGCSA-N 1 2 249.310 1.990 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@H]1CC=CCC1 ZINC000877709219 590398743 /nfs/dbraw/zinc/39/87/43/590398743.db2.gz OFJIICLNJKHUFR-LBPRGKRZSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@H]1CC=CCC1 ZINC000877709219 590398746 /nfs/dbraw/zinc/39/87/46/590398746.db2.gz OFJIICLNJKHUFR-LBPRGKRZSA-N 1 2 236.315 1.731 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccoc2)CC1 ZINC000877748247 590413478 /nfs/dbraw/zinc/41/34/78/590413478.db2.gz YEDUNVSQDCWDDX-UHFFFAOYSA-N 1 2 219.288 1.311 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000877958050 590457056 /nfs/dbraw/zinc/45/70/56/590457056.db2.gz QYKYMOBXUQAHEW-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000877958050 590457057 /nfs/dbraw/zinc/45/70/57/590457057.db2.gz QYKYMOBXUQAHEW-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000877995811 590469132 /nfs/dbraw/zinc/46/91/32/590469132.db2.gz WLQSVDJUOYXZBQ-GHMZBOCLSA-N 1 2 241.331 1.603 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000877995811 590469134 /nfs/dbraw/zinc/46/91/34/590469134.db2.gz WLQSVDJUOYXZBQ-GHMZBOCLSA-N 1 2 241.331 1.603 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000878379844 590556411 /nfs/dbraw/zinc/55/64/11/590556411.db2.gz XWJPIONXUUUYFO-WDEREUQCSA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000878385781 590558395 /nfs/dbraw/zinc/55/83/95/590558395.db2.gz RWRAVAVQIXHEAS-NWDGAFQWSA-N 1 2 241.331 1.461 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000878385781 590558397 /nfs/dbraw/zinc/55/83/97/590558397.db2.gz RWRAVAVQIXHEAS-NWDGAFQWSA-N 1 2 241.331 1.461 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1ccccn1)C1CC1 ZINC000878435044 590567578 /nfs/dbraw/zinc/56/75/78/590567578.db2.gz YVOIACINNTXAAO-UHFFFAOYSA-N 1 2 229.283 1.118 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1ccccn1)C1CC1 ZINC000878435044 590567579 /nfs/dbraw/zinc/56/75/79/590567579.db2.gz YVOIACINNTXAAO-UHFFFAOYSA-N 1 2 229.283 1.118 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@](C)(CC)C1 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ZINC000878910386 590642156 /nfs/dbraw/zinc/64/21/56/590642156.db2.gz UBUDNLADDIKFHG-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@H+](Cc1cncc(F)c1)C1CSC1 ZINC000878910386 590642160 /nfs/dbraw/zinc/64/21/60/590642160.db2.gz UBUDNLADDIKFHG-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@@H+](CC(OCC)OCC)C1CSC1 ZINC000878910903 590647135 /nfs/dbraw/zinc/64/71/35/590647135.db2.gz ZGCDHDDQCWQNNX-UHFFFAOYSA-N 1 2 243.372 1.436 20 30 BDEDLO C#CC[N@H+](CC(OCC)OCC)C1CSC1 ZINC000878910903 590647139 /nfs/dbraw/zinc/64/71/39/590647139.db2.gz ZGCDHDDQCWQNNX-UHFFFAOYSA-N 1 2 243.372 1.436 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(OC)nc1)C1CSC1 ZINC000878912832 590648459 /nfs/dbraw/zinc/64/84/59/590648459.db2.gz QSNISYDZWSMIKN-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO C#CC[N@H+](Cc1ccc(OC)nc1)C1CSC1 ZINC000878912832 590648460 /nfs/dbraw/zinc/64/84/60/590648460.db2.gz QSNISYDZWSMIKN-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO C#CC(C)(C)NC(=O)Nc1cc[nH+]cc1C ZINC000879072649 590692388 /nfs/dbraw/zinc/69/23/88/590692388.db2.gz DVLINZFZEPWAAM-UHFFFAOYSA-N 1 2 217.272 1.345 20 30 BDEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000879188430 590710651 /nfs/dbraw/zinc/71/06/51/590710651.db2.gz KZVGLHNWZRYGAC-UHFFFAOYSA-N 1 2 230.271 1.815 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000879188430 590710652 /nfs/dbraw/zinc/71/06/52/590710652.db2.gz KZVGLHNWZRYGAC-UHFFFAOYSA-N 1 2 230.271 1.815 20 30 BDEDLO C=C(C)[C@@H](CO)[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879982784 590904224 /nfs/dbraw/zinc/90/42/24/590904224.db2.gz MCXDMDFBTXXVRO-VXGBXAGGSA-N 1 2 241.331 1.245 20 30 BDEDLO C=CCCn1cc(C[NH+]2CCC(F)CC2)nn1 ZINC000880238205 590969182 /nfs/dbraw/zinc/96/91/82/590969182.db2.gz AWHYITQJWBDKPC-UHFFFAOYSA-N 1 2 238.310 1.788 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417378 591026905 /nfs/dbraw/zinc/02/69/05/591026905.db2.gz MDZJZGFTIBCOKA-AAEUAGOBSA-N 1 2 232.258 1.264 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000880417378 591026907 /nfs/dbraw/zinc/02/69/07/591026907.db2.gz MDZJZGFTIBCOKA-AAEUAGOBSA-N 1 2 232.258 1.264 20 30 BDEDLO C#CCC1(O)CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000880482316 591055320 /nfs/dbraw/zinc/05/53/20/591055320.db2.gz FGPKGSZQMYBYBW-SNVBAGLBSA-N 1 2 248.330 1.024 20 30 BDEDLO N#Cc1ccc(F)c(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880483756 591056438 /nfs/dbraw/zinc/05/64/38/591056438.db2.gz IMUDKWOCMWNJEJ-GFCCVEGCSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880483756 591056442 /nfs/dbraw/zinc/05/64/42/591056442.db2.gz IMUDKWOCMWNJEJ-GFCCVEGCSA-N 1 2 232.258 1.430 20 30 BDEDLO C=C(Br)C[N@H+]1CC=C[C@H]1CO ZINC000880486392 591062137 /nfs/dbraw/zinc/06/21/37/591062137.db2.gz RISDAVCIFAAEOT-QMMMGPOBSA-N 1 2 218.094 1.128 20 30 BDEDLO C=C(Br)C[N@@H+]1CC=C[C@H]1CO ZINC000880486392 591062142 /nfs/dbraw/zinc/06/21/42/591062142.db2.gz RISDAVCIFAAEOT-QMMMGPOBSA-N 1 2 218.094 1.128 20 30 BDEDLO C=C[C@](C)(O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000881312366 591187118 /nfs/dbraw/zinc/18/71/18/591187118.db2.gz KGZLKYAXGUFRDG-ZDUSSCGKSA-N 1 2 244.298 1.423 20 30 BDEDLO COC(=O)CCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000079830781 636725144 /nfs/dbraw/zinc/72/51/44/636725144.db2.gz CLSRCSZNSUIDMX-JTQLQIEISA-N 1 2 210.277 1.175 20 30 BDEDLO COC(=O)CCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000079830781 636725148 /nfs/dbraw/zinc/72/51/48/636725148.db2.gz CLSRCSZNSUIDMX-JTQLQIEISA-N 1 2 210.277 1.175 20 30 BDEDLO Cc1ccc(NCCc2cn(C)c[nH+]2)c(C#N)n1 ZINC000882439822 591348937 /nfs/dbraw/zinc/34/89/37/591348937.db2.gz RMHWCSSUQDRAKB-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000883006271 591507094 /nfs/dbraw/zinc/50/70/94/591507094.db2.gz NHURWVXDCWRKMO-SNVBAGLBSA-N 1 2 207.277 1.524 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc[nH+]cc1F ZINC000883005800 591507561 /nfs/dbraw/zinc/50/75/61/591507561.db2.gz YRKBXORKQKWHKH-VIFPVBQESA-N 1 2 210.252 1.382 20 30 BDEDLO Cn1c[nH+]c(CNc2cccc(CC#N)n2)c1 ZINC000883357832 591629434 /nfs/dbraw/zinc/62/94/34/591629434.db2.gz VWZFOHSPCXQVMX-UHFFFAOYSA-N 1 2 227.271 1.493 20 30 BDEDLO CC[N@H+](C/C=C(\C)C(=O)OC)C[C@@H](C)C#N ZINC000214749225 591781832 /nfs/dbraw/zinc/78/18/32/591781832.db2.gz BKSJNGYGTYUNLY-OTXQMUPVSA-N 1 2 224.304 1.587 20 30 BDEDLO CC[N@@H+](C/C=C(\C)C(=O)OC)C[C@@H](C)C#N ZINC000214749225 591781834 /nfs/dbraw/zinc/78/18/34/591781834.db2.gz BKSJNGYGTYUNLY-OTXQMUPVSA-N 1 2 224.304 1.587 20 30 BDEDLO Cc1cccc(CO[NH+]=C(N)CCO)c1 ZINC000136064421 592091886 /nfs/dbraw/zinc/09/18/86/592091886.db2.gz RDHSLOWVXVMJDQ-UHFFFAOYSA-N 1 2 208.261 1.166 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886173801 592169590 /nfs/dbraw/zinc/16/95/90/592169590.db2.gz ZPQBPQILCCAWQW-UHFFFAOYSA-N 1 2 233.271 1.833 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886173801 592169593 /nfs/dbraw/zinc/16/95/93/592169593.db2.gz ZPQBPQILCCAWQW-UHFFFAOYSA-N 1 2 233.271 1.833 20 30 BDEDLO CC1(C#N)C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886183950 592171460 /nfs/dbraw/zinc/17/14/60/592171460.db2.gz QUTPNMHJNFVOEE-PWSUYJOCSA-N 1 2 206.289 1.258 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@](C)(O)C(F)F ZINC000886215760 592178663 /nfs/dbraw/zinc/17/86/63/592178663.db2.gz QLCAZZSATSRKSS-JTQLQIEISA-N 1 2 218.247 1.404 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@](C)(O)C(F)F ZINC000886215760 592178665 /nfs/dbraw/zinc/17/86/65/592178665.db2.gz QLCAZZSATSRKSS-JTQLQIEISA-N 1 2 218.247 1.404 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOC1CCCCC1 ZINC000886243389 592183999 /nfs/dbraw/zinc/18/39/99/592183999.db2.gz XTBMMSQWXRAZHJ-CYBMUJFWSA-N 1 2 237.343 1.670 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOC1CCCCC1 ZINC000886243389 592184001 /nfs/dbraw/zinc/18/40/01/592184001.db2.gz XTBMMSQWXRAZHJ-CYBMUJFWSA-N 1 2 237.343 1.670 20 30 BDEDLO CCn1c[nH+]c2c1CCN(C(=O)[C@H](C)CC#N)C2 ZINC000886607991 592273776 /nfs/dbraw/zinc/27/37/76/592273776.db2.gz FLVCKWSYHLOGMX-SNVBAGLBSA-N 1 2 246.314 1.337 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886795551 592327606 /nfs/dbraw/zinc/32/76/06/592327606.db2.gz WIFLUZUNPWZAOL-MRVPVSSYSA-N 1 2 243.656 1.986 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886795551 592327611 /nfs/dbraw/zinc/32/76/11/592327611.db2.gz WIFLUZUNPWZAOL-MRVPVSSYSA-N 1 2 243.656 1.986 20 30 BDEDLO C#CCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC000886800611 592331948 /nfs/dbraw/zinc/33/19/48/592331948.db2.gz ZIUCEAMYEDVLAO-LLVKDONJSA-N 1 2 245.326 1.651 20 30 BDEDLO C#CCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC000886800611 592331953 /nfs/dbraw/zinc/33/19/53/592331953.db2.gz ZIUCEAMYEDVLAO-LLVKDONJSA-N 1 2 245.326 1.651 20 30 BDEDLO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000886848484 592365130 /nfs/dbraw/zinc/36/51/30/592365130.db2.gz DTKUAJVPAUTQST-VIFPVBQESA-N 1 2 249.270 1.082 20 30 BDEDLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000886848484 592365135 /nfs/dbraw/zinc/36/51/35/592365135.db2.gz DTKUAJVPAUTQST-VIFPVBQESA-N 1 2 249.270 1.082 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000887310599 592479115 /nfs/dbraw/zinc/47/91/15/592479115.db2.gz KOWXSGVSCFXFLJ-UTLUCORTSA-N 1 2 215.293 1.117 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)C(=O)OC ZINC000301054151 592527725 /nfs/dbraw/zinc/52/77/25/592527725.db2.gz ZUSGNXFSLVRFPW-BBBLOLIVSA-N 1 2 229.345 1.588 20 30 BDEDLO C=CCNC(=S)NCCNc1cccc[nH+]1 ZINC000007378921 592729454 /nfs/dbraw/zinc/72/94/54/592729454.db2.gz HIIKVKVOBNKRQG-UHFFFAOYSA-N 1 2 236.344 1.144 20 30 BDEDLO C=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000823883219 608682005 /nfs/dbraw/zinc/68/20/05/608682005.db2.gz LCDIQOBTPRODAL-UHFFFAOYSA-N 1 2 245.286 1.612 20 30 BDEDLO C=C(C)C[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934276274 631757354 /nfs/dbraw/zinc/75/73/54/631757354.db2.gz SVAQVFGXIGKRHJ-SNVBAGLBSA-N 1 2 249.314 1.904 20 30 BDEDLO C=C(C)C[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934276274 631757364 /nfs/dbraw/zinc/75/73/64/631757364.db2.gz SVAQVFGXIGKRHJ-SNVBAGLBSA-N 1 2 249.314 1.904 20 30 BDEDLO C#CCC[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000309035077 631807739 /nfs/dbraw/zinc/80/77/39/631807739.db2.gz HOXIQSDLADRWJU-SNVBAGLBSA-N 1 2 211.305 1.577 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(COC)no1 ZINC000934462523 631855312 /nfs/dbraw/zinc/85/53/12/631855312.db2.gz XFXVTWJRLLNAEN-VIFPVBQESA-N 1 2 223.276 1.366 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(COC)no1 ZINC000934462523 631855314 /nfs/dbraw/zinc/85/53/14/631855314.db2.gz XFXVTWJRLLNAEN-VIFPVBQESA-N 1 2 223.276 1.366 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1nccs1 ZINC000308837246 631899970 /nfs/dbraw/zinc/89/99/70/631899970.db2.gz XBDCPEANBJBLFQ-SECBINFHSA-N 1 2 225.317 1.504 20 30 BDEDLO C[C@H](C#N)OCC[N@H+](C)Cc1nccs1 ZINC000308837246 631899964 /nfs/dbraw/zinc/89/99/64/631899964.db2.gz XBDCPEANBJBLFQ-SECBINFHSA-N 1 2 225.317 1.504 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934574147 631947711 /nfs/dbraw/zinc/94/77/11/631947711.db2.gz RRKLKSWEPOJQLH-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934574147 631947717 /nfs/dbraw/zinc/94/77/17/631947717.db2.gz RRKLKSWEPOJQLH-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO COC[C@@H](CC/[NH+]=C/c1ccccc1O)OC ZINC000849170293 632058480 /nfs/dbraw/zinc/05/84/80/632058480.db2.gz NKRQBEMVCSBMGZ-ZMTLZGASSA-N 1 2 237.299 1.863 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cc(C)no1)[C@@H]1CCCO1 ZINC000309874963 632677535 /nfs/dbraw/zinc/67/75/35/632677535.db2.gz SGNNKQFPBGBJJK-NEPJUHHUSA-N 1 2 220.272 1.253 20 30 BDEDLO CC(=[NH+]OCC(N)=O)c1ccc(N)cc1Cl ZINC000309265908 632862938 /nfs/dbraw/zinc/86/29/38/632862938.db2.gz JJKYACRHGSJNSO-UHFFFAOYSA-N 1 2 241.678 1.148 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1nccs1 ZINC000308837520 633823039 /nfs/dbraw/zinc/82/30/39/633823039.db2.gz XBDCPEANBJBLFQ-VIFPVBQESA-N 1 2 225.317 1.504 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1nccs1 ZINC000308837520 633823042 /nfs/dbraw/zinc/82/30/42/633823042.db2.gz XBDCPEANBJBLFQ-VIFPVBQESA-N 1 2 225.317 1.504 20 30 BDEDLO CNc1cc(N2CCC[C@@H](CC#N)C2)nc[nH+]1 ZINC000258729238 635192257 /nfs/dbraw/zinc/19/22/57/635192257.db2.gz MRRIOTCKNIPVFS-JTQLQIEISA-N 1 2 231.303 1.648 20 30 BDEDLO CNc1cc(N2CCC[C@@H](CC#N)C2)[nH+]cn1 ZINC000258729238 635192262 /nfs/dbraw/zinc/19/22/62/635192262.db2.gz MRRIOTCKNIPVFS-JTQLQIEISA-N 1 2 231.303 1.648 20 30 BDEDLO CCCn1nc(C)c(C[NH2+]CCC#N)c1C ZINC000336779300 635289143 /nfs/dbraw/zinc/28/91/43/635289143.db2.gz NWYJRNDVVQOJQR-UHFFFAOYSA-N 1 2 220.320 1.913 20 30 BDEDLO C#CCN(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000928625886 636220392 /nfs/dbraw/zinc/22/03/92/636220392.db2.gz FJURYZLCGVAGIB-UHFFFAOYSA-N 1 2 219.288 1.213 20 30 BDEDLO C#CCN(C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000928625886 636220395 /nfs/dbraw/zinc/22/03/95/636220395.db2.gz FJURYZLCGVAGIB-UHFFFAOYSA-N 1 2 219.288 1.213 20 30 BDEDLO C[C@@H]1/C(=C/c2c[nH+]cn2C)C(=O)c2nccn21 ZINC000901566067 637259929 /nfs/dbraw/zinc/25/99/29/637259929.db2.gz OOYATOBVGKMGIO-VUMIPSPVSA-N 1 2 228.255 1.458 20 30 BDEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2nccn2[C@@H]1C ZINC000901566518 637260448 /nfs/dbraw/zinc/26/04/48/637260448.db2.gz UPMROHVJUXWMBL-NJQKBMNKSA-N 1 2 242.282 1.940 20 30 BDEDLO CCn1nc(C)c(C(=O)/C=C/c2c[nH+]cn2C)n1 ZINC000905086097 637585932 /nfs/dbraw/zinc/58/59/32/637585932.db2.gz IXEGXWJLIPRLCE-AATRIKPKSA-N 1 2 245.286 1.236 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@@H]1CCCS1)C(=O)OC ZINC000905777338 637908555 /nfs/dbraw/zinc/90/85/55/637908555.db2.gz KLVCNYJBJOOJKH-QWRGUYRKSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)C(=O)OC ZINC000905777885 637908809 /nfs/dbraw/zinc/90/88/09/637908809.db2.gz GTLVHRJIENPFPY-YPMHNXCESA-N 1 2 248.326 1.892 20 30 BDEDLO C=CC[C@@H]([NH2+]CCC(O)(CC)CC)C(=O)OC ZINC000905761491 637916163 /nfs/dbraw/zinc/91/61/63/637916163.db2.gz CTPUXBRBRLKQLT-LLVKDONJSA-N 1 2 243.347 1.635 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)C(=O)OC ZINC000905767867 637923677 /nfs/dbraw/zinc/92/36/77/637923677.db2.gz OZNPIVSUONCAFX-AAEUAGOBSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CC[C@@H]([NH2+]CC1(SCC)CC1)C(=O)OC ZINC000905773220 637929407 /nfs/dbraw/zinc/92/94/07/637929407.db2.gz HBZZDVCXTIXAEG-SNVBAGLBSA-N 1 2 243.372 1.979 20 30 BDEDLO Cc1cc(C)c(C(=O)N(C)CC#N)c(C)[nH+]1 ZINC000906471885 638168237 /nfs/dbraw/zinc/16/82/37/638168237.db2.gz XSKOUQOQJUBAKX-UHFFFAOYSA-N 1 2 217.272 1.602 20 30 BDEDLO Cc1cc(C)c(C(=O)NCC#N)c(C)[nH+]1 ZINC000906479411 638175826 /nfs/dbraw/zinc/17/58/26/638175826.db2.gz NCUVUOWCZVJOLC-UHFFFAOYSA-N 1 2 203.245 1.260 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)CNc1cccc[nH+]1 ZINC000907386534 638369462 /nfs/dbraw/zinc/36/94/62/638369462.db2.gz FASHTOCNMZLUEV-JTQLQIEISA-N 1 2 232.287 1.302 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H](C)[C@@H](C)O1 ZINC000930249784 639658960 /nfs/dbraw/zinc/65/89/60/639658960.db2.gz AWVYGRBIDGZCPE-GRYCIOLGSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@@H](C)[C@@H](C)O1 ZINC000930249784 639658963 /nfs/dbraw/zinc/65/89/63/639658963.db2.gz AWVYGRBIDGZCPE-GRYCIOLGSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]([NH2+]C[C@H](O)CC#N)c1c(F)cncc1F ZINC000930476731 639772247 /nfs/dbraw/zinc/77/22/47/639772247.db2.gz UPUIGEZTCOCKRZ-HTQZYQBOSA-N 1 2 241.241 1.285 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930486324 639778654 /nfs/dbraw/zinc/77/86/54/639778654.db2.gz NHJHPOJHFBFVIK-VIFPVBQESA-N 1 2 242.282 1.795 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(C(=O)OCC)no1 ZINC000930588797 639814886 /nfs/dbraw/zinc/81/48/86/639814886.db2.gz IPEWNMCXAZVPNC-UHFFFAOYSA-N 1 2 236.271 1.306 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(C(=O)OCC)no1 ZINC000930588797 639814887 /nfs/dbraw/zinc/81/48/87/639814887.db2.gz IPEWNMCXAZVPNC-UHFFFAOYSA-N 1 2 236.271 1.306 20 30 BDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623841 639828159 /nfs/dbraw/zinc/82/81/59/639828159.db2.gz VFUQWCMJOSBYSO-MWLCHTKSSA-N 1 2 243.257 1.132 20 30 BDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623841 639828165 /nfs/dbraw/zinc/82/81/65/639828165.db2.gz VFUQWCMJOSBYSO-MWLCHTKSSA-N 1 2 243.257 1.132 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(CCF)c1 ZINC000930693282 639865161 /nfs/dbraw/zinc/86/51/61/639865161.db2.gz MZAKRAZDSJGQBA-LLVKDONJSA-N 1 2 224.283 1.634 20 30 BDEDLO N#CC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC000912528082 640112603 /nfs/dbraw/zinc/11/26/03/640112603.db2.gz NPMTXCAAMMBCBJ-UHFFFAOYSA-N 1 2 246.314 1.542 20 30 BDEDLO C#CC[N@@H+](Cc1nn(C)cc1C)C(C)C ZINC000932383653 640510885 /nfs/dbraw/zinc/51/08/85/640510885.db2.gz KFODJAJGFSUVDC-UHFFFAOYSA-N 1 2 205.305 1.572 20 30 BDEDLO C#CC[N@H+](Cc1nn(C)cc1C)C(C)C ZINC000932383653 640510876 /nfs/dbraw/zinc/51/08/76/640510876.db2.gz KFODJAJGFSUVDC-UHFFFAOYSA-N 1 2 205.305 1.572 20 30 BDEDLO C#CC[N@H+](C(C)C)[C@H](C)C(=O)OCCC ZINC000932389590 640517303 /nfs/dbraw/zinc/51/73/03/640517303.db2.gz CHNCUYTYHNNBJS-LLVKDONJSA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@@H+](C(C)C)[C@H](C)C(=O)OCCC ZINC000932389590 640517305 /nfs/dbraw/zinc/51/73/05/640517305.db2.gz CHNCUYTYHNNBJS-LLVKDONJSA-N 1 2 211.305 1.672 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC2CCC2)C1 ZINC001030180001 640664577 /nfs/dbraw/zinc/66/45/77/640664577.db2.gz IWVPOCDJZDGXDD-UHFFFAOYSA-N 1 2 208.305 1.163 20 30 BDEDLO C=CC[N@H+]1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 ZINC000933196286 640676610 /nfs/dbraw/zinc/67/66/10/640676610.db2.gz ASUWAHWHVMUTLC-XQQFMLRXSA-N 1 2 241.331 1.067 20 30 BDEDLO C=CC[N@@H+]1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 ZINC000933196286 640676614 /nfs/dbraw/zinc/67/66/14/640676614.db2.gz ASUWAHWHVMUTLC-XQQFMLRXSA-N 1 2 241.331 1.067 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C=C2CCC2)C1 ZINC001030206977 640682246 /nfs/dbraw/zinc/68/22/46/640682246.db2.gz MFZTWIHMDNYGNH-UHFFFAOYSA-N 1 2 220.316 1.473 20 30 BDEDLO C#CCC1([NH2+][C@H](CC)C(=O)OC)CCC1 ZINC000933296994 640700773 /nfs/dbraw/zinc/70/07/73/640700773.db2.gz UUCBONNHPZMTCI-SNVBAGLBSA-N 1 2 209.289 1.474 20 30 BDEDLO COC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000933333290 640705509 /nfs/dbraw/zinc/70/55/09/640705509.db2.gz HHGRNTIBYHTCOK-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000933333290 640705514 /nfs/dbraw/zinc/70/55/14/640705514.db2.gz HHGRNTIBYHTCOK-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2coc(C)c2)C1 ZINC001030250505 640707773 /nfs/dbraw/zinc/70/77/73/640707773.db2.gz LUEBFIMDZRDAFN-UHFFFAOYSA-N 1 2 232.283 1.025 20 30 BDEDLO CC(C)(C)[C@H]1CNC(=O)C[N@@H+]1CCCC#N ZINC000933826761 640769285 /nfs/dbraw/zinc/76/92/85/640769285.db2.gz LKYHOPSFMYIIEE-SNVBAGLBSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)(C)[C@H]1CNC(=O)C[N@H+]1CCCC#N ZINC000933826761 640769286 /nfs/dbraw/zinc/76/92/86/640769286.db2.gz LKYHOPSFMYIIEE-SNVBAGLBSA-N 1 2 223.320 1.137 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001030359505 640788805 /nfs/dbraw/zinc/78/88/05/640788805.db2.gz OMQHJIAVMHNOFY-CHWSQXEVSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001030562729 640917982 /nfs/dbraw/zinc/91/79/82/640917982.db2.gz LHZNJSKSANLTOU-GMXVVIOVSA-N 1 2 234.343 1.409 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CC)no1 ZINC000934469998 641164931 /nfs/dbraw/zinc/16/49/31/641164931.db2.gz AKXNFUOKDBOQPP-SECBINFHSA-N 1 2 207.277 1.782 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CC)no1 ZINC000934469998 641164936 /nfs/dbraw/zinc/16/49/36/641164936.db2.gz AKXNFUOKDBOQPP-SECBINFHSA-N 1 2 207.277 1.782 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC000934508614 641175909 /nfs/dbraw/zinc/17/59/09/641175909.db2.gz DHTFABBVBFOACW-LBPRGKRZSA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC000934508614 641175910 /nfs/dbraw/zinc/17/59/10/641175910.db2.gz DHTFABBVBFOACW-LBPRGKRZSA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1CCS(=O)(=O)C(C)C ZINC000934512607 641180483 /nfs/dbraw/zinc/18/04/83/641180483.db2.gz RTEDAMDEASSKAU-LBPRGKRZSA-N 1 2 243.372 1.297 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)C(C)C ZINC000934512607 641180488 /nfs/dbraw/zinc/18/04/88/641180488.db2.gz RTEDAMDEASSKAU-LBPRGKRZSA-N 1 2 243.372 1.297 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001030708301 641312317 /nfs/dbraw/zinc/31/23/17/641312317.db2.gz TXXCSXPNWMISHT-BXUZGUMPSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001030910074 641417699 /nfs/dbraw/zinc/41/76/99/641417699.db2.gz LNMOOLWAGVSJBL-GXTWGEPZSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923356 641503150 /nfs/dbraw/zinc/50/31/50/641503150.db2.gz QKXSKCQXBUUXSS-NEPJUHHUSA-N 1 2 247.342 1.916 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001031022396 641599780 /nfs/dbraw/zinc/59/97/80/641599780.db2.gz DMDWXCRIUPQMQM-LBPRGKRZSA-N 1 2 232.327 1.000 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC001031043336 641638270 /nfs/dbraw/zinc/63/82/70/641638270.db2.gz BABCUSWFIPBBDR-NEPJUHHUSA-N 1 2 236.359 1.799 20 30 BDEDLO COC(=O)/C=C(\C)C[N@H+](C)[C@@H](C)CC#N ZINC000929832275 641721939 /nfs/dbraw/zinc/72/19/39/641721939.db2.gz SMTBKYSCPOSMQF-PCYYEKQGSA-N 1 2 210.277 1.340 20 30 BDEDLO COC(=O)/C=C(\C)C[N@@H+](C)[C@@H](C)CC#N ZINC000929832275 641721943 /nfs/dbraw/zinc/72/19/43/641721943.db2.gz SMTBKYSCPOSMQF-PCYYEKQGSA-N 1 2 210.277 1.340 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc[nH]2)C1 ZINC000949667896 641852993 /nfs/dbraw/zinc/85/29/93/641852993.db2.gz KPOWBJYWCXLAQR-UHFFFAOYSA-N 1 2 247.342 1.737 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)Cc2occc2C)CC1 ZINC000950391803 641918374 /nfs/dbraw/zinc/91/83/74/641918374.db2.gz QRUPQDXRKLFZHL-UHFFFAOYSA-N 1 2 248.326 1.461 20 30 BDEDLO CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031502758 642235140 /nfs/dbraw/zinc/23/51/40/642235140.db2.gz HNPIFBPAGTZGQT-UHFFFAOYSA-N 1 2 243.310 1.126 20 30 BDEDLO C=CC[N@@H+](C)CN1CCSC1=S ZINC000155014694 642356009 /nfs/dbraw/zinc/35/60/09/642356009.db2.gz XZDZBSSJJQBNPH-UHFFFAOYSA-N 1 2 202.348 1.395 20 30 BDEDLO C=CC[N@H+](C)CN1CCSC1=S ZINC000155014694 642356019 /nfs/dbraw/zinc/35/60/19/642356019.db2.gz XZDZBSSJJQBNPH-UHFFFAOYSA-N 1 2 202.348 1.395 20 30 BDEDLO C=CC[N@@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000155046338 642368512 /nfs/dbraw/zinc/36/85/12/642368512.db2.gz CWNBPENCEQHHSM-UHFFFAOYSA-N 1 2 234.274 1.857 20 30 BDEDLO C=CC[N@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000155046338 642368519 /nfs/dbraw/zinc/36/85/19/642368519.db2.gz CWNBPENCEQHHSM-UHFFFAOYSA-N 1 2 234.274 1.857 20 30 BDEDLO C=C(Br)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000307206338 642375294 /nfs/dbraw/zinc/37/52/94/642375294.db2.gz KPLYRBOOZDCWGZ-MRVPVSSYSA-N 1 2 247.136 1.105 20 30 BDEDLO C=C(Br)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000307206338 642375304 /nfs/dbraw/zinc/37/53/04/642375304.db2.gz KPLYRBOOZDCWGZ-MRVPVSSYSA-N 1 2 247.136 1.105 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000847022128 642399333 /nfs/dbraw/zinc/39/93/33/642399333.db2.gz SJSSSKNJRISORM-WDEREUQCSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000847022128 642399335 /nfs/dbraw/zinc/39/93/35/642399335.db2.gz SJSSSKNJRISORM-WDEREUQCSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000847024845 642410481 /nfs/dbraw/zinc/41/04/81/642410481.db2.gz LRFVXYZDSJHQPW-WDEREUQCSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000847024845 642410486 /nfs/dbraw/zinc/41/04/86/642410486.db2.gz LRFVXYZDSJHQPW-WDEREUQCSA-N 1 2 249.314 1.622 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001017449271 642671670 /nfs/dbraw/zinc/67/16/70/642671670.db2.gz MAEDTANWDMRIER-FPMFFAJLSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001017449271 642671675 /nfs/dbraw/zinc/67/16/75/642671675.db2.gz MAEDTANWDMRIER-FPMFFAJLSA-N 1 2 246.354 1.341 20 30 BDEDLO C=C(Br)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000306176948 642728285 /nfs/dbraw/zinc/72/82/85/642728285.db2.gz ZNUUKSUSCRONQA-AOOOYVTPSA-N 1 2 247.180 1.919 20 30 BDEDLO C=C(Br)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000306176948 642728287 /nfs/dbraw/zinc/72/82/87/642728287.db2.gz ZNUUKSUSCRONQA-AOOOYVTPSA-N 1 2 247.180 1.919 20 30 BDEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000179866192 642749796 /nfs/dbraw/zinc/74/97/96/642749796.db2.gz ASADFKUWWGHEJE-CYBMUJFWSA-N 1 2 245.322 1.919 20 30 BDEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000179866192 642749799 /nfs/dbraw/zinc/74/97/99/642749799.db2.gz ASADFKUWWGHEJE-CYBMUJFWSA-N 1 2 245.322 1.919 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001017292058 642969162 /nfs/dbraw/zinc/96/91/62/642969162.db2.gz CMYDKJHEARBIGH-OKILXGFUSA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001017292058 642969178 /nfs/dbraw/zinc/96/91/78/642969178.db2.gz CMYDKJHEARBIGH-OKILXGFUSA-N 1 2 246.354 1.485 20 30 BDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1 ZINC001017382663 642973346 /nfs/dbraw/zinc/97/33/46/642973346.db2.gz FIAYMCSLBNUYLJ-PHIMTYICSA-N 1 2 247.298 1.149 20 30 BDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1 ZINC001017382663 642973357 /nfs/dbraw/zinc/97/33/57/642973357.db2.gz FIAYMCSLBNUYLJ-PHIMTYICSA-N 1 2 247.298 1.149 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC000890652910 643229828 /nfs/dbraw/zinc/22/98/28/643229828.db2.gz AGSGNWMLOKGHIX-LBPRGKRZSA-N 1 2 245.326 1.367 20 30 BDEDLO CC[N@H+](C/C=C(/C)C(=O)OC)C[C@H](C)C#N ZINC000084002761 643639516 /nfs/dbraw/zinc/63/95/16/643639516.db2.gz BKSJNGYGTYUNLY-CHPNCVJKSA-N 1 2 224.304 1.587 20 30 BDEDLO CC[N@@H+](C/C=C(/C)C(=O)OC)C[C@H](C)C#N ZINC000084002761 643639519 /nfs/dbraw/zinc/63/95/19/643639519.db2.gz BKSJNGYGTYUNLY-CHPNCVJKSA-N 1 2 224.304 1.587 20 30 BDEDLO CCn1c[nH+]cc1CN[C@H](CC#N)C(F)(F)F ZINC000922647107 644051232 /nfs/dbraw/zinc/05/12/32/644051232.db2.gz KZGGRMBZMWVXMX-SECBINFHSA-N 1 2 246.236 1.837 20 30 BDEDLO CC[C@](C)(C#N)C(=O)OCc1ccc[nH+]c1N ZINC000922721711 644076194 /nfs/dbraw/zinc/07/61/94/644076194.db2.gz BHYAUTAGVZSLCU-GFCCVEGCSA-N 1 2 233.271 1.647 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)OCc1ccc[nH+]c1N ZINC000922721712 644076596 /nfs/dbraw/zinc/07/65/96/644076596.db2.gz BHYAUTAGVZSLCU-LBPRGKRZSA-N 1 2 233.271 1.647 20 30 BDEDLO C=CCC[C@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000321209748 644092517 /nfs/dbraw/zinc/09/25/17/644092517.db2.gz ILJDEANZBINBER-GHMZBOCLSA-N 1 2 243.347 1.633 20 30 BDEDLO C#Cc1cccc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000186844459 644150622 /nfs/dbraw/zinc/15/06/22/644150622.db2.gz AIQQJZWTQPVLOB-UHFFFAOYSA-N 1 2 239.278 1.583 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000079829251 644214169 /nfs/dbraw/zinc/21/41/69/644214169.db2.gz ZIWKGJJCTUCCDR-LLVKDONJSA-N 1 2 204.277 1.119 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000079829251 644214173 /nfs/dbraw/zinc/21/41/73/644214173.db2.gz ZIWKGJJCTUCCDR-LLVKDONJSA-N 1 2 204.277 1.119 20 30 BDEDLO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000079848990 644214880 /nfs/dbraw/zinc/21/48/80/644214880.db2.gz WIWQTGHPTRPBFD-VXGBXAGGSA-N 1 2 226.320 1.008 20 30 BDEDLO CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000079848990 644214883 /nfs/dbraw/zinc/21/48/83/644214883.db2.gz WIWQTGHPTRPBFD-VXGBXAGGSA-N 1 2 226.320 1.008 20 30 BDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)CC)C1 ZINC000923551112 644497845 /nfs/dbraw/zinc/49/78/45/644497845.db2.gz JNRGQWRDSPFWSN-SNVBAGLBSA-N 1 2 244.285 1.246 20 30 BDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)CC)C1 ZINC000923551112 644497846 /nfs/dbraw/zinc/49/78/46/644497846.db2.gz JNRGQWRDSPFWSN-SNVBAGLBSA-N 1 2 244.285 1.246 20 30 BDEDLO CC(C)CO[NH+]=C(N)Cc1cccnc1 ZINC000089506410 644555436 /nfs/dbraw/zinc/55/54/36/644555436.db2.gz LIUHXYDAJNWTNP-UHFFFAOYSA-N 1 2 207.277 1.569 20 30 BDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC1(C#N)CC1 ZINC000775858026 644703823 /nfs/dbraw/zinc/70/38/23/644703823.db2.gz HXQGYLLXIDRFRW-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC1(C#N)CC1 ZINC000775858026 644703826 /nfs/dbraw/zinc/70/38/26/644703826.db2.gz HXQGYLLXIDRFRW-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCO[C@H](C)C#N ZINC000801927345 644847117 /nfs/dbraw/zinc/84/71/17/644847117.db2.gz NJUZEGLKARENQT-MNOVXSKESA-N 1 2 242.319 1.187 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCO[C@H](C)C#N ZINC000801927345 644847118 /nfs/dbraw/zinc/84/71/18/644847118.db2.gz NJUZEGLKARENQT-MNOVXSKESA-N 1 2 242.319 1.187 20 30 BDEDLO Cn1c[nH+]cc1COc1ccc(F)nc1C#N ZINC000808274880 644878088 /nfs/dbraw/zinc/87/80/88/644878088.db2.gz DWXHJROWJAGYLJ-UHFFFAOYSA-N 1 2 232.218 1.405 20 30 BDEDLO C#CCONC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812781997 644930678 /nfs/dbraw/zinc/93/06/78/644930678.db2.gz LKVJYCKPXHXBHQ-UHFFFAOYSA-N 1 2 241.250 1.167 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OC ZINC000843412134 645291029 /nfs/dbraw/zinc/29/10/29/645291029.db2.gz VKVFIZLYGRKTRW-JTQLQIEISA-N 1 2 245.269 1.719 20 30 BDEDLO CC[C@@H]([NH2+]C/C=C/CO)c1cccc(C#N)c1O ZINC000926689208 645358138 /nfs/dbraw/zinc/35/81/38/645358138.db2.gz NRCWBHBJTIOMSX-ITDFMYJTSA-N 1 2 246.310 1.853 20 30 BDEDLO CN(C)c1ccc(C#N)cc1C[NH2+]CCC#N ZINC000877484125 645797932 /nfs/dbraw/zinc/79/79/32/645797932.db2.gz VYEFDJAPROMWEL-UHFFFAOYSA-N 1 2 228.299 1.628 20 30 BDEDLO C#CC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000884594954 645876096 /nfs/dbraw/zinc/87/60/96/645876096.db2.gz WAFHWPIAYDJAIT-LLVKDONJSA-N 1 2 201.273 1.635 20 30 BDEDLO Cc1[nH]c(C2CCN(C(=O)CC#N)CC2)[nH+]c1C ZINC000924316968 646015709 /nfs/dbraw/zinc/01/57/09/646015709.db2.gz VGSDUBWHYNYFOL-UHFFFAOYSA-N 1 2 246.314 1.646 20 30 BDEDLO C=CC[NH+](CC=C)Cc1[nH]nc2c1COCC2 ZINC000929259912 646042454 /nfs/dbraw/zinc/04/24/54/646042454.db2.gz RGFSNXVFPSRZIA-UHFFFAOYSA-N 1 2 233.315 1.656 20 30 BDEDLO Cc1[nH]c(CN2CCC(C#N)CC2)c(C)[nH+]1 ZINC000929415878 646112038 /nfs/dbraw/zinc/11/20/38/646112038.db2.gz BPXKFMBCQWPJLG-UHFFFAOYSA-N 1 2 218.304 1.762 20 30 BDEDLO CC[C@H]([NH2+][C@@H](C)CO)c1cccc(C#N)c1O ZINC000925163054 646198070 /nfs/dbraw/zinc/19/80/70/646198070.db2.gz XKOGRJHKUKNSER-CABZTGNLSA-N 1 2 234.299 1.685 20 30 BDEDLO C=C(Cl)C[NH2+][C@@H](C)c1cnnn1C ZINC000925436923 646281248 /nfs/dbraw/zinc/28/12/48/646281248.db2.gz IJYONODRKVINNU-ZETCQYMHSA-N 1 2 200.673 1.218 20 30 BDEDLO C#C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCO1 ZINC000379946487 712635865 /nfs/dbraw/zinc/63/58/65/712635865.db2.gz DCFVIVNEMABKBU-WDEREUQCSA-N 1 2 204.273 1.061 20 30 BDEDLO CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038004095 712897686 /nfs/dbraw/zinc/89/76/86/712897686.db2.gz SXEDORQEGLUXCY-OAHLLOKOSA-N 1 2 242.322 1.249 20 30 BDEDLO CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038004095 712897687 /nfs/dbraw/zinc/89/76/87/712897687.db2.gz SXEDORQEGLUXCY-OAHLLOKOSA-N 1 2 242.322 1.249 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001038011493 712898201 /nfs/dbraw/zinc/89/82/01/712898201.db2.gz JNVSYNWDNVPWPO-CYBMUJFWSA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001038011493 712898202 /nfs/dbraw/zinc/89/82/02/712898202.db2.gz JNVSYNWDNVPWPO-CYBMUJFWSA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001038025283 712899181 /nfs/dbraw/zinc/89/91/81/712899181.db2.gz GWTHJHKJTWMLEU-LLVKDONJSA-N 1 2 234.324 1.185 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001038025283 712899182 /nfs/dbraw/zinc/89/91/82/712899182.db2.gz GWTHJHKJTWMLEU-LLVKDONJSA-N 1 2 234.324 1.185 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038763509 710706897 /nfs/dbraw/zinc/70/68/97/710706897.db2.gz WWVCXDXFMZRDMP-LBPRGKRZSA-N 1 2 245.326 1.069 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038763509 710706900 /nfs/dbraw/zinc/70/69/00/710706900.db2.gz WWVCXDXFMZRDMP-LBPRGKRZSA-N 1 2 245.326 1.069 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C)C1 ZINC001042433617 710783249 /nfs/dbraw/zinc/78/32/49/710783249.db2.gz AZZICGXJCXLEBX-PWSUYJOCSA-N 1 2 222.332 1.361 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2[nH]ccc2C)C1 ZINC001042673551 710796666 /nfs/dbraw/zinc/79/66/66/710796666.db2.gz SBHWCXCDYYPUHD-UHFFFAOYSA-N 1 2 247.342 1.655 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)C2CCC2)C1 ZINC001043056694 710802556 /nfs/dbraw/zinc/80/25/56/710802556.db2.gz AYVLVYXPZLVBGA-LLVKDONJSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001043588028 710811325 /nfs/dbraw/zinc/81/13/25/710811325.db2.gz YMXLXLCTTLCHBW-GDNZZTSVSA-N 1 2 234.343 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001043737585 710812156 /nfs/dbraw/zinc/81/21/56/710812156.db2.gz LAIQPSRIOOUMAO-QWRGUYRKSA-N 1 2 222.332 1.361 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C)CC=CC2)C1 ZINC001043755422 710812776 /nfs/dbraw/zinc/81/27/76/710812776.db2.gz OLLIKGADHSIWOU-UHFFFAOYSA-N 1 2 246.354 1.509 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001044030425 710818095 /nfs/dbraw/zinc/81/80/95/710818095.db2.gz CGOHTKBUIRFAKX-UONOGXRCSA-N 1 2 248.370 1.751 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044216210 710822093 /nfs/dbraw/zinc/82/20/93/710822093.db2.gz UARDSEDSLLQTOF-UHFFFAOYSA-N 1 2 222.332 1.198 20 30 BDEDLO Cc1ncncc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903107084 710892353 /nfs/dbraw/zinc/89/23/53/710892353.db2.gz ZWXUGZZQRADTCP-VIFPVBQESA-N 1 2 216.288 1.739 20 30 BDEDLO Cn1ncc(C[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000399166583 711423377 /nfs/dbraw/zinc/42/33/77/711423377.db2.gz GVKAKNNIINYPQK-UHFFFAOYSA-N 1 2 241.298 1.171 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CCCO1 ZINC000381196921 710608435 /nfs/dbraw/zinc/60/84/35/710608435.db2.gz BGGSONWRJUASJO-NHCYSSNCSA-N 1 2 236.340 1.975 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C)c1 ZINC001038184716 711475542 /nfs/dbraw/zinc/47/55/42/711475542.db2.gz FOPGMQJLKMMMOG-ZDUSSCGKSA-N 1 2 246.310 1.415 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C)c1 ZINC001038184716 711475545 /nfs/dbraw/zinc/47/55/45/711475545.db2.gz FOPGMQJLKMMMOG-ZDUSSCGKSA-N 1 2 246.310 1.415 20 30 BDEDLO COCCN(CC#N)Cc1cc(C)cc(C)[nH+]1 ZINC000723622356 711526852 /nfs/dbraw/zinc/52/68/52/711526852.db2.gz VMWMZQUODJRNDU-UHFFFAOYSA-N 1 2 233.315 1.670 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934565261 711594209 /nfs/dbraw/zinc/59/42/09/711594209.db2.gz LAQYLDFPUMKBFE-CHWSQXEVSA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934565261 711594211 /nfs/dbraw/zinc/59/42/11/711594211.db2.gz LAQYLDFPUMKBFE-CHWSQXEVSA-N 1 2 234.274 1.463 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cscc1C ZINC001038142198 711613942 /nfs/dbraw/zinc/61/39/42/711613942.db2.gz BWWJDDCXUGDMND-LLVKDONJSA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cscc1C ZINC001038142198 711613943 /nfs/dbraw/zinc/61/39/43/711613943.db2.gz BWWJDDCXUGDMND-LLVKDONJSA-N 1 2 248.351 1.494 20 30 BDEDLO CCCC[N@H+](CC(N)=O)Cc1cncc(C#N)c1 ZINC000721540115 711620747 /nfs/dbraw/zinc/62/07/47/711620747.db2.gz NCZXXUYZRMSZMU-UHFFFAOYSA-N 1 2 246.314 1.041 20 30 BDEDLO CCCC[N@@H+](CC(N)=O)Cc1cncc(C#N)c1 ZINC000721540115 711620748 /nfs/dbraw/zinc/62/07/48/711620748.db2.gz NCZXXUYZRMSZMU-UHFFFAOYSA-N 1 2 246.314 1.041 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001030705170 711841088 /nfs/dbraw/zinc/84/10/88/711841088.db2.gz OXLNUQNZUHGCHZ-AAEUAGOBSA-N 1 2 234.343 1.409 20 30 BDEDLO C#CCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000180120862 711886008 /nfs/dbraw/zinc/88/60/08/711886008.db2.gz MKVMVJYTWCOFCM-UHFFFAOYSA-N 1 2 219.288 1.262 20 30 BDEDLO CC(C)(C)C#CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922790329 711976397 /nfs/dbraw/zinc/97/63/97/711976397.db2.gz AZWUJUYXOOSMLB-UHFFFAOYSA-N 1 2 232.283 1.757 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000701405489 712022617 /nfs/dbraw/zinc/02/26/17/712022617.db2.gz LXPMLZYLVMDXBQ-LBPRGKRZSA-N 1 2 238.331 1.418 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000701405489 712022618 /nfs/dbraw/zinc/02/26/18/712022618.db2.gz LXPMLZYLVMDXBQ-LBPRGKRZSA-N 1 2 238.331 1.418 20 30 BDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828018020 712593875 /nfs/dbraw/zinc/59/38/75/712593875.db2.gz CQDZKYVBILSHEC-GWCFXTLKSA-N 1 2 246.314 1.541 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC000848923702 712610288 /nfs/dbraw/zinc/61/02/88/712610288.db2.gz IQJBWCYYKOSZOE-NSHDSACASA-N 1 2 218.304 1.143 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC000848923702 712610289 /nfs/dbraw/zinc/61/02/89/712610289.db2.gz IQJBWCYYKOSZOE-NSHDSACASA-N 1 2 218.304 1.143 20 30 BDEDLO C=CC[NH+]1CCN(c2nccc(C#N)c2F)CC1 ZINC001165031435 721866793 /nfs/dbraw/zinc/86/67/93/721866793.db2.gz IZVZUSJXJCXKEG-UHFFFAOYSA-N 1 2 246.289 1.400 20 30 BDEDLO Cc1ccc(N2CCN(CCC#N)CC2)[nH+]c1C ZINC001165055517 722023178 /nfs/dbraw/zinc/02/31/78/722023178.db2.gz QIESADRWOHSKLE-UHFFFAOYSA-N 1 2 244.342 1.734 20 30 BDEDLO N#CCc1cc[nH+]c(NCC2CC(=O)C2)c1 ZINC001157608974 963676278 /nfs/dbraw/zinc/67/62/78/963676278.db2.gz JYPZCJYZABBULG-UHFFFAOYSA-N 1 2 215.256 1.539 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1N[C@H](CO)[C@@H](C)O ZINC001161773187 964746039 /nfs/dbraw/zinc/74/60/39/964746039.db2.gz LLZLAURVXRJKJG-ZYHUDNBSSA-N 1 2 236.315 1.272 20 30 BDEDLO Cc1[nH+]c[nH]c1CN1CCCC[C@@H]1C#N ZINC001204589325 967084955 /nfs/dbraw/zinc/08/49/55/967084955.db2.gz FOZLDEQEFPANAC-SNVBAGLBSA-N 1 2 204.277 1.596 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC001206233430 968157024 /nfs/dbraw/zinc/15/70/24/968157024.db2.gz YEYXUPPXEAEQMX-WRWGMCAJSA-N 1 2 221.300 1.330 20 30 BDEDLO C#CCOC[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001251821478 968357381 /nfs/dbraw/zinc/35/73/81/968357381.db2.gz PWEOFKQQSNHYNC-NSHDSACASA-N 1 2 247.285 1.118 20 30 BDEDLO C#CCOC[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001251821478 968357387 /nfs/dbraw/zinc/35/73/87/968357387.db2.gz PWEOFKQQSNHYNC-NSHDSACASA-N 1 2 247.285 1.118 20 30 BDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCOCC1)C(=O)OCC ZINC001255034614 969857662 /nfs/dbraw/zinc/85/76/62/969857662.db2.gz TXYXHNJJWOOUCD-MFKMUULPSA-N 1 2 239.315 1.263 20 30 BDEDLO CC[C@@H](C#N)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255619911 970401306 /nfs/dbraw/zinc/40/13/06/970401306.db2.gz YUXMSGZXLAKSKK-JTQLQIEISA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](C)[C@H](C)C#N)C1 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ZINC001178669378 978603689 /nfs/dbraw/zinc/60/36/89/978603689.db2.gz HTTROXDWDUCXSR-UHFFFAOYSA-N 1 2 221.304 1.945 20 30 BDEDLO C=CCCCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178669378 978603692 /nfs/dbraw/zinc/60/36/92/978603692.db2.gz HTTROXDWDUCXSR-UHFFFAOYSA-N 1 2 221.304 1.945 20 30 BDEDLO C=C(C)Cc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001250244433 980389261 /nfs/dbraw/zinc/38/92/61/980389261.db2.gz XUTYDDXILNHGEZ-UHFFFAOYSA-N 1 2 217.312 1.982 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OCC(C)(C)C)CC1 ZINC001194369962 981749841 /nfs/dbraw/zinc/74/98/41/981749841.db2.gz BDFSBKULHCMHBZ-UHFFFAOYSA-N 1 2 240.347 1.973 20 30 BDEDLO C=CCOC(=O)NCc1c[nH+]cn1CCF ZINC001194346447 981790314 /nfs/dbraw/zinc/79/03/14/981790314.db2.gz DCSFPEXSWFKILV-UHFFFAOYSA-N 1 2 227.239 1.265 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C(C)C ZINC001488651203 983688657 /nfs/dbraw/zinc/68/86/57/983688657.db2.gz MCLYCRFVKDQWSN-RYUDHWBXSA-N 1 2 240.322 1.146 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C(C)C ZINC001488651203 983688672 /nfs/dbraw/zinc/68/86/72/983688672.db2.gz MCLYCRFVKDQWSN-RYUDHWBXSA-N 1 2 240.322 1.146 20 30 BDEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001488649307 983686709 /nfs/dbraw/zinc/68/67/09/983686709.db2.gz ZSEKEDLWJOPQLB-LLVKDONJSA-N 1 2 242.338 1.701 20 30 BDEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001488649307 983686720 /nfs/dbraw/zinc/68/67/20/983686720.db2.gz ZSEKEDLWJOPQLB-LLVKDONJSA-N 1 2 242.338 1.701 20 30 BDEDLO C=CCOCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001328488526 973094158 /nfs/dbraw/zinc/09/41/58/973094158.db2.gz HGRAWEZKIGSYET-NSHDSACASA-N 1 2 237.303 1.153 20 30 BDEDLO N#Cc1ccc2cc[nH+]c(NCCC(N)=O)c2c1 ZINC001158107215 971073797 /nfs/dbraw/zinc/07/37/97/971073797.db2.gz WRVYESHNNGWFGQ-UHFFFAOYSA-N 1 2 240.266 1.394 20 30 BDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CC)C(=O)OCC ZINC001257434419 971342197 /nfs/dbraw/zinc/34/21/97/971342197.db2.gz ZOHUBVWTSQKUAH-HOSYDEDBSA-N 1 2 211.305 1.882 20 30 BDEDLO COC(=O)C1CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001257867367 971509960 /nfs/dbraw/zinc/50/99/60/971509960.db2.gz FLMDLEIVOCOBRF-WHXUTIOJSA-N 1 2 224.304 1.562 20 30 BDEDLO COC(=O)C1CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001257867367 971509972 /nfs/dbraw/zinc/50/99/72/971509972.db2.gz FLMDLEIVOCOBRF-WHXUTIOJSA-N 1 2 224.304 1.562 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)OC ZINC001170727675 971664242 /nfs/dbraw/zinc/66/42/42/971664242.db2.gz OMBFWXUZSZTKQM-USZNOCQGSA-N 1 2 235.327 1.576 20 30 BDEDLO C[C@@H]1COCC[C@@H]1Nc1[nH+]cccc1CC#N ZINC001170813515 971886989 /nfs/dbraw/zinc/88/69/89/971886989.db2.gz IFIUFPDOUADJCS-PWSUYJOCSA-N 1 2 231.299 1.985 20 30 BDEDLO C#C[C@](C)([NH3+])C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001218933226 971967682 /nfs/dbraw/zinc/96/76/82/971967682.db2.gz XOTGPPCQGIJCBJ-ZDUSSCGKSA-N 1 2 242.282 1.160 20 30 BDEDLO CN(C(=O)Cc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC001136386285 972146991 /nfs/dbraw/zinc/14/69/91/972146991.db2.gz AUTVHKCCSWGIMW-UHFFFAOYSA-N 1 2 240.266 1.487 20 30 BDEDLO C=C[C@H](O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001136498596 972190361 /nfs/dbraw/zinc/19/03/61/972190361.db2.gz UFBOSXQZGODMPK-JTQLQIEISA-N 1 2 231.255 1.128 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001136637902 972219261 /nfs/dbraw/zinc/21/92/61/972219261.db2.gz HLNMQNPNTIWBIG-IJLUTSLNSA-N 1 2 244.298 1.206 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccon1 ZINC001266259732 956890157 /nfs/dbraw/zinc/89/01/57/956890157.db2.gz CXGLLDHNAMVSON-UHFFFAOYSA-N 1 2 243.694 1.089 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccon1 ZINC001266259732 956890159 /nfs/dbraw/zinc/89/01/59/956890159.db2.gz CXGLLDHNAMVSON-UHFFFAOYSA-N 1 2 243.694 1.089 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)CC ZINC001266258211 956890339 /nfs/dbraw/zinc/89/03/39/956890339.db2.gz HIXSYRWLFCJJQX-SECBINFHSA-N 1 2 232.755 1.833 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)CC ZINC001266258211 956890340 /nfs/dbraw/zinc/89/03/40/956890340.db2.gz HIXSYRWLFCJJQX-SECBINFHSA-N 1 2 232.755 1.833 20 30 BDEDLO CC[C@@H](CCC(=O)OC)C[N@H+](C)[C@H](C)C#N ZINC001208794222 957168497 /nfs/dbraw/zinc/16/84/97/957168497.db2.gz YGPICGDASVVOTO-MNOVXSKESA-N 1 2 226.320 1.810 20 30 BDEDLO CC[C@@H](CCC(=O)OC)C[N@@H+](C)[C@H](C)C#N ZINC001208794222 957168499 /nfs/dbraw/zinc/16/84/99/957168499.db2.gz YGPICGDASVVOTO-MNOVXSKESA-N 1 2 226.320 1.810 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001167572807 958897951 /nfs/dbraw/zinc/89/79/51/958897951.db2.gz QMNMJGRVTTVQAC-LBPRGKRZSA-N 1 2 238.331 1.908 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001167572807 958897962 /nfs/dbraw/zinc/89/79/62/958897962.db2.gz QMNMJGRVTTVQAC-LBPRGKRZSA-N 1 2 238.331 1.908 20 30 BDEDLO C=CC[NH2+]CCN(C)C(=O)C(F)C(F)(F)F ZINC001267375551 959585954 /nfs/dbraw/zinc/58/59/54/959585954.db2.gz MDGHGBKHUKSVPM-SSDOTTSWSA-N 1 2 242.216 1.121 20 30 BDEDLO C=CC[NH2+]CCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001267375551 959585965 /nfs/dbraw/zinc/58/59/65/959585965.db2.gz MDGHGBKHUKSVPM-SSDOTTSWSA-N 1 2 242.216 1.121 20 30 BDEDLO C#CCCCCCC(=O)NC1C[NH+](CC=C)C1 ZINC001267655008 960178171 /nfs/dbraw/zinc/17/81/71/960178171.db2.gz KIHNIJMIEWCBQP-UHFFFAOYSA-N 1 2 234.343 1.557 20 30 BDEDLO CCCCc1[nH]c(CN2CCO[C@@H](C#N)C2)c[nH+]1 ZINC001141071673 960860552 /nfs/dbraw/zinc/86/05/52/960860552.db2.gz ZWVKWBGGXMYGKV-LBPRGKRZSA-N 1 2 248.330 1.477 20 30 BDEDLO CCCCc1[nH]cc(CN2CCO[C@@H](C#N)C2)[nH+]1 ZINC001141071673 960860554 /nfs/dbraw/zinc/86/05/54/960860554.db2.gz ZWVKWBGGXMYGKV-LBPRGKRZSA-N 1 2 248.330 1.477 20 30 BDEDLO N#Cc1cc(F)ccc1C[NH+]1CC(C2COC2)C1 ZINC001141164299 960899420 /nfs/dbraw/zinc/89/94/20/960899420.db2.gz VUOHUKDGFBOUEM-UHFFFAOYSA-N 1 2 246.285 1.776 20 30 BDEDLO CN(CC#N)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242977 961013878 /nfs/dbraw/zinc/01/38/78/961013878.db2.gz QVNNYJCGSAUQGU-UHFFFAOYSA-N 1 2 226.283 1.828 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(CC=C)CCC2)C1 ZINC001481580891 961253400 /nfs/dbraw/zinc/25/34/00/961253400.db2.gz HCRPZGZXFQVBDU-UHFFFAOYSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(C)C ZINC001481678362 961559381 /nfs/dbraw/zinc/55/93/81/961559381.db2.gz QZYSRTQBPSGMGN-KBPBESRZSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(C)C ZINC001481678362 961559403 /nfs/dbraw/zinc/55/94/03/961559403.db2.gz QZYSRTQBPSGMGN-KBPBESRZSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(CCC)CC2)C1 ZINC001268445695 961779546 /nfs/dbraw/zinc/77/95/46/961779546.db2.gz AQZXYXJMWZLNGF-UHFFFAOYSA-N 1 2 234.343 1.390 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)SC)C1 ZINC001269755711 962784802 /nfs/dbraw/zinc/78/48/02/962784802.db2.gz WJRDYPTXYCSTPS-JTQLQIEISA-N 1 2 242.388 1.457 20 30 BDEDLO CC(C)(S)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154525831 962795931 /nfs/dbraw/zinc/79/59/31/962795931.db2.gz ZUIVNOJEYXYNOJ-UHFFFAOYSA-N 1 2 249.339 1.773 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@](C)(C=C)CC)C1 ZINC001269842645 962802870 /nfs/dbraw/zinc/80/28/70/962802870.db2.gz CJFPXKAUUYYKHW-HNNXBMFYSA-N 1 2 248.370 1.755 20 30 BDEDLO C#CCNc1[nH+]ccc(C)c1NC(C)=O ZINC001155654378 963140466 /nfs/dbraw/zinc/14/04/66/963140466.db2.gz RBBYPNZLABWYRR-UHFFFAOYSA-N 1 2 203.245 1.394 20 30 BDEDLO CC(C)[C@](C)(Nc1cc(CC#N)cc[nH+]1)C(N)=O ZINC001156652021 963427151 /nfs/dbraw/zinc/42/71/51/963427151.db2.gz TVHMUXWNDISRIS-ZDUSSCGKSA-N 1 2 246.314 1.460 20 30 BDEDLO C=C(C)C(=O)OCCNc1c[nH+]ccc1OC ZINC001168072043 963600433 /nfs/dbraw/zinc/60/04/33/963600433.db2.gz OUPGDPCUYGJSNG-UHFFFAOYSA-N 1 2 236.271 1.621 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]cc(C)cc1OC ZINC001158818274 963934113 /nfs/dbraw/zinc/93/41/13/963934113.db2.gz XCUZIWFOGIHJKS-VIFPVBQESA-N 1 2 208.261 1.357 20 30 BDEDLO CC(=O)N[C@H]1C[C@H](Nc2cc(CC#N)cc[nH+]2)C1 ZINC001159509204 964121529 /nfs/dbraw/zinc/12/15/29/964121529.db2.gz SSQVCCQOUKPVOL-HAQNSBGRSA-N 1 2 244.298 1.227 20 30 BDEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nncn1C ZINC000093492606 964155402 /nfs/dbraw/zinc/15/54/02/964155402.db2.gz NVJJVCWXVJKBAO-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO CC[NH+]1CC(O[C@@H](C#N)c2ccccc2)C1 ZINC001223712296 964169847 /nfs/dbraw/zinc/16/98/47/964169847.db2.gz DDCJUWPZJXVBDK-ZDUSSCGKSA-N 1 2 216.284 1.972 20 30 BDEDLO C#CCOCCOCCNc1ccc(C=C)c[nH+]1 ZINC001160671038 964385118 /nfs/dbraw/zinc/38/51/18/964385118.db2.gz DGLJDNTYBIKWAE-UHFFFAOYSA-N 1 2 246.310 1.803 20 30 BDEDLO C=C(CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001161804695 964761347 /nfs/dbraw/zinc/76/13/47/964761347.db2.gz YYOVDXPOUZGGHM-UHFFFAOYSA-N 1 2 207.277 1.343 20 30 BDEDLO C#CCCCNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001162440222 964978146 /nfs/dbraw/zinc/97/81/46/964978146.db2.gz UDUHICWFCWTMCC-UHFFFAOYSA-N 1 2 243.310 1.424 20 30 BDEDLO C#CCCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001162440117 964978361 /nfs/dbraw/zinc/97/83/61/964978361.db2.gz OHCBSTXKSXTHPS-UHFFFAOYSA-N 1 2 245.326 1.744 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001030366462 965242864 /nfs/dbraw/zinc/24/28/64/965242864.db2.gz DGNUUHZEQREILF-OAHLLOKOSA-N 1 2 246.354 1.557 20 30 BDEDLO COCC1CN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001163732457 965544900 /nfs/dbraw/zinc/54/49/00/965544900.db2.gz AWAWPWLAFQEZBS-UHFFFAOYSA-N 1 2 242.282 1.517 20 30 BDEDLO C[C@@]1(O)CCN(c2cc(CC#N)cc[nH+]2)C[C@@H]1F ZINC001164289401 965832901 /nfs/dbraw/zinc/83/29/01/965832901.db2.gz RFNWTGPSXKBLLO-WCQYABFASA-N 1 2 249.289 1.447 20 30 BDEDLO C[C@@H]1C[C@H](O)CCN1c1cc(CC#N)cc[nH+]1 ZINC001166964366 966490877 /nfs/dbraw/zinc/49/08/77/966490877.db2.gz SJBUMSBVUFXKAY-ZYHUDNBSSA-N 1 2 231.299 1.497 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(OC)cccc1OC ZINC001204252629 966948401 /nfs/dbraw/zinc/94/84/01/966948401.db2.gz OUFZNEMNJXFBNV-UHFFFAOYSA-N 1 2 219.284 1.769 20 30 BDEDLO C#CC[N@H+](C)Cc1c(OC)cccc1OC ZINC001204252629 966948411 /nfs/dbraw/zinc/94/84/11/966948411.db2.gz OUFZNEMNJXFBNV-UHFFFAOYSA-N 1 2 219.284 1.769 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(C=C)CC ZINC001032606675 967008390 /nfs/dbraw/zinc/00/83/90/967008390.db2.gz YUMYIVBEQUZJHK-YDHLFZDLSA-N 1 2 246.354 1.507 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(C=C)CC ZINC001032606675 967008401 /nfs/dbraw/zinc/00/84/01/967008401.db2.gz YUMYIVBEQUZJHK-YDHLFZDLSA-N 1 2 246.354 1.507 20 30 BDEDLO CSc1nn(-c2ccc[nH+]c2N)c(N)c1C#N ZINC001212393827 967017150 /nfs/dbraw/zinc/01/71/50/967017150.db2.gz MUYNNLZMMDBABM-UHFFFAOYSA-N 1 2 246.299 1.025 20 30 BDEDLO COc1nc(C[NH2+]CC2(C#N)CC2)ccc1C ZINC001205560381 967695384 /nfs/dbraw/zinc/69/53/84/967695384.db2.gz ADRGGPIJRAQRNV-UHFFFAOYSA-N 1 2 231.299 1.792 20 30 BDEDLO Cc1nc(C(C)C)cc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164641384 968257495 /nfs/dbraw/zinc/25/74/95/968257495.db2.gz KOYUQUKBBYPFMX-LLVKDONJSA-N 1 2 245.330 1.210 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC001251195085 968271104 /nfs/dbraw/zinc/27/11/04/968271104.db2.gz XNNMVEPJCVKDKU-STQMWFEESA-N 1 2 246.310 1.272 20 30 BDEDLO N#C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC001251195085 968271114 /nfs/dbraw/zinc/27/11/14/968271114.db2.gz XNNMVEPJCVKDKU-STQMWFEESA-N 1 2 246.310 1.272 20 30 BDEDLO Cn1cc(C[N@@H+]2CCn3nccc3C2)cc1C#N ZINC001207111112 968638020 /nfs/dbraw/zinc/63/80/20/968638020.db2.gz ZYRYIAJOSGLTEO-UHFFFAOYSA-N 1 2 241.298 1.109 20 30 BDEDLO Cn1cc(C[N@H+]2CCn3nccc3C2)cc1C#N ZINC001207111112 968638024 /nfs/dbraw/zinc/63/80/24/968638024.db2.gz ZYRYIAJOSGLTEO-UHFFFAOYSA-N 1 2 241.298 1.109 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001085484954 968762201 /nfs/dbraw/zinc/76/22/01/968762201.db2.gz PBAAOZGADUSOOV-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001085484954 968762207 /nfs/dbraw/zinc/76/22/07/968762207.db2.gz PBAAOZGADUSOOV-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001252614477 968872252 /nfs/dbraw/zinc/87/22/52/968872252.db2.gz KEZDVFJARIPAMY-RYUDHWBXSA-N 1 2 243.347 1.491 20 30 BDEDLO C=C[C@H](O)CNc1[nH+]cccc1OCC ZINC001253569393 969244671 /nfs/dbraw/zinc/24/46/71/969244671.db2.gz YANSMPNPHBHJMP-VIFPVBQESA-N 1 2 208.261 1.439 20 30 BDEDLO C=C[C@H](O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001253574749 969249811 /nfs/dbraw/zinc/24/98/11/969249811.db2.gz ROVRUIHUMPHECE-LBPRGKRZSA-N 1 2 233.315 1.641 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001253586542 969265116 /nfs/dbraw/zinc/26/51/16/969265116.db2.gz OVLTXYGMARYOST-NSHDSACASA-N 1 2 238.718 1.640 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001253586542 969265121 /nfs/dbraw/zinc/26/51/21/969265121.db2.gz OVLTXYGMARYOST-NSHDSACASA-N 1 2 238.718 1.640 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001253585984 969270011 /nfs/dbraw/zinc/27/00/11/969270011.db2.gz IBQYZYIZPWDPJF-CHWSQXEVSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001253585984 969270018 /nfs/dbraw/zinc/27/00/18/969270018.db2.gz IBQYZYIZPWDPJF-CHWSQXEVSA-N 1 2 234.299 1.002 20 30 BDEDLO N#CCc1ccc[nH+]c1NC[C@H](O)C(F)(F)F ZINC001169455630 969641752 /nfs/dbraw/zinc/64/17/52/969641752.db2.gz BBKNZKOTXHROHD-QMMMGPOBSA-N 1 2 245.204 1.483 20 30 BDEDLO Cc1cccc(NC[C@H]2COCC[N@H+]2C)c1C#N ZINC001169654576 969800955 /nfs/dbraw/zinc/80/09/55/969800955.db2.gz UWWFJYTYGGZLHA-LBPRGKRZSA-N 1 2 245.326 1.609 20 30 BDEDLO Cc1cccc(NC[C@H]2COCC[N@@H+]2C)c1C#N ZINC001169654576 969800959 /nfs/dbraw/zinc/80/09/59/969800959.db2.gz UWWFJYTYGGZLHA-LBPRGKRZSA-N 1 2 245.326 1.609 20 30 BDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(/C=N/O)c1 ZINC001169658632 969803394 /nfs/dbraw/zinc/80/33/94/969803394.db2.gz YWTDBSQNAYHGHJ-LIOBOASVSA-N 1 2 249.314 1.237 20 30 BDEDLO C[N@H+]1CCOC[C@@H]1CNc1cccc(/C=N/O)c1 ZINC001169658632 969803397 /nfs/dbraw/zinc/80/33/97/969803397.db2.gz YWTDBSQNAYHGHJ-LIOBOASVSA-N 1 2 249.314 1.237 20 30 BDEDLO C#C[C@@H](CCCCC)OCC[NH+]1CCOCC1 ZINC001210208885 969819059 /nfs/dbraw/zinc/81/90/59/969819059.db2.gz WDXGUSVUAZUBHV-AWEZNQCLSA-N 1 2 239.359 1.917 20 30 BDEDLO C#Cc1nccnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287212 969854176 /nfs/dbraw/zinc/85/41/76/969854176.db2.gz OJYGJJMWSWGTHX-UHFFFAOYSA-N 1 2 225.255 1.487 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc2[nH+]cn(C)c2c1 ZINC001169780909 969855549 /nfs/dbraw/zinc/85/55/49/969855549.db2.gz JNHDECWYDIMWOA-VIFPVBQESA-N 1 2 217.272 1.532 20 30 BDEDLO C=CC[C@@H](Nc1ccn2cc[nH+]c2c1)C(=O)OC ZINC001169837848 969868179 /nfs/dbraw/zinc/86/81/79/969868179.db2.gz HQNSZUYTSANNLY-LLVKDONJSA-N 1 2 245.282 1.864 20 30 BDEDLO C#Cc1cc(Nc2ccc(O)c(C#N)c2)cc[nH+]1 ZINC001210528029 969927433 /nfs/dbraw/zinc/92/74/33/969927433.db2.gz RRRCIROJJIUZDR-UHFFFAOYSA-N 1 2 235.246 1.806 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001255152890 969958979 /nfs/dbraw/zinc/95/89/79/969958979.db2.gz ICTJMBJPLXIJBJ-AAEUAGOBSA-N 1 2 243.310 1.832 20 30 BDEDLO CC[C@H](CC#N)[N@H+](C)CCc1noc(C)n1 ZINC001255167335 969979420 /nfs/dbraw/zinc/97/94/20/969979420.db2.gz YSJWFGFUEMUHKT-SNVBAGLBSA-N 1 2 222.292 1.545 20 30 BDEDLO CC[C@H](CC#N)[N@@H+](C)CCc1noc(C)n1 ZINC001255167335 969979424 /nfs/dbraw/zinc/97/94/24/969979424.db2.gz YSJWFGFUEMUHKT-SNVBAGLBSA-N 1 2 222.292 1.545 20 30 BDEDLO CC[C@@H](CC#N)N1CC[NH2+]CC(F)(F)C1 ZINC001255166400 969981325 /nfs/dbraw/zinc/98/13/25/969981325.db2.gz KFVGKINCTCDVGH-VIFPVBQESA-N 1 2 217.263 1.219 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001255176845 969991184 /nfs/dbraw/zinc/99/11/84/969991184.db2.gz GUHWOWOXASGRQN-VXGBXAGGSA-N 1 2 246.314 1.622 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001255176845 969991196 /nfs/dbraw/zinc/99/11/96/969991196.db2.gz GUHWOWOXASGRQN-VXGBXAGGSA-N 1 2 246.314 1.622 20 30 BDEDLO COC1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001255452919 970184088 /nfs/dbraw/zinc/18/40/88/970184088.db2.gz YJPVCEMVXXKOJA-UHFFFAOYSA-N 1 2 238.331 1.606 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CC[C@H](C)C1 ZINC001170092603 970240897 /nfs/dbraw/zinc/24/08/97/970240897.db2.gz PVUKMIITXJYKBK-GUBZILKMSA-N 1 2 231.361 1.626 20 30 BDEDLO C#CCN(CC#C)c1[nH+]cnc2[nH]cc(C)c21 ZINC001157558593 970435852 /nfs/dbraw/zinc/43/58/52/970435852.db2.gz FFJGHFQXTSAINE-UHFFFAOYSA-N 1 2 224.267 1.339 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001113468153 970440881 /nfs/dbraw/zinc/44/08/81/970440881.db2.gz DNKINTXJPABBPR-STQMWFEESA-N 1 2 238.375 1.999 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3ccccn3)CC[C@@H]2S1 ZINC000198041244 972602093 /nfs/dbraw/zinc/60/20/93/972602093.db2.gz IBHPGBBVQMHQTP-LBPRGKRZSA-N 1 2 246.335 1.856 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3ccccn3)CC[C@@H]2S1 ZINC000198041244 972602108 /nfs/dbraw/zinc/60/21/08/972602108.db2.gz IBHPGBBVQMHQTP-LBPRGKRZSA-N 1 2 246.335 1.856 20 30 BDEDLO C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC001327707726 972705005 /nfs/dbraw/zinc/70/50/05/972705005.db2.gz XSRSFKZLELITDV-NXEZZACHSA-N 1 2 234.303 1.499 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001328328288 972970817 /nfs/dbraw/zinc/97/08/17/972970817.db2.gz LMWIKJNKJIEVFQ-CMPLNLGQSA-N 1 2 219.288 1.362 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1CC#CC ZINC001276916509 973247115 /nfs/dbraw/zinc/24/71/15/973247115.db2.gz QGFMYWWSTOISQG-HIFRSBDPSA-N 1 2 248.370 1.803 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CC#CC ZINC001276916509 973247128 /nfs/dbraw/zinc/24/71/28/973247128.db2.gz QGFMYWWSTOISQG-HIFRSBDPSA-N 1 2 248.370 1.803 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC001147162213 973446604 /nfs/dbraw/zinc/44/66/04/973446604.db2.gz MVONTIGSXQUCGA-UHFFFAOYSA-N 1 2 245.326 1.334 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N1CCC(C)(C#N)CC1 ZINC001329139947 973506465 /nfs/dbraw/zinc/50/64/65/973506465.db2.gz JMIIHVZGMYUMLD-UHFFFAOYSA-N 1 2 246.314 1.115 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001329173980 973545130 /nfs/dbraw/zinc/54/51/30/973545130.db2.gz ZFPVZCROQXMEKI-NWDGAFQWSA-N 1 2 231.299 1.316 20 30 BDEDLO N#CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001329364145 973698302 /nfs/dbraw/zinc/69/83/02/973698302.db2.gz LATXXMJFCMDFBC-JTQLQIEISA-N 1 2 232.287 1.104 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)OC ZINC001329391221 973723018 /nfs/dbraw/zinc/72/30/18/973723018.db2.gz BRVMWFRCBJLUND-VHSXEESVSA-N 1 2 248.754 1.210 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)OC ZINC001329391221 973723025 /nfs/dbraw/zinc/72/30/25/973723025.db2.gz BRVMWFRCBJLUND-VHSXEESVSA-N 1 2 248.754 1.210 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC001329792947 973933466 /nfs/dbraw/zinc/93/34/66/973933466.db2.gz NNUCJZLBVJIIPD-VIFPVBQESA-N 1 2 225.317 1.315 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001329792947 973933479 /nfs/dbraw/zinc/93/34/79/973933479.db2.gz NNUCJZLBVJIIPD-VIFPVBQESA-N 1 2 225.317 1.315 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1ccc(F)c(F)c1O ZINC001331065424 974582212 /nfs/dbraw/zinc/58/22/12/974582212.db2.gz BZAUBQDOMCPCPD-SECBINFHSA-N 1 2 243.253 1.961 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CCCC#N ZINC001172481741 974781188 /nfs/dbraw/zinc/78/11/88/974781188.db2.gz XIDXAKFQHYXGFN-UWVGGRQHSA-N 1 2 244.360 1.520 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)[C@H](C)C#N)CC1 ZINC001172808051 974942760 /nfs/dbraw/zinc/94/27/60/974942760.db2.gz QPNGPPSFGAWKJT-UTUOFQBUSA-N 1 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ZKSPHQZNLBBXNS-WOPDTQHZSA-N 1 2 246.318 1.145 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173758261 975552115 /nfs/dbraw/zinc/55/21/15/975552115.db2.gz ZKSPHQZNLBBXNS-WOPDTQHZSA-N 1 2 246.318 1.145 20 30 BDEDLO Cc1[nH]c(CN=Nc2ccn(C)n2)[nH+]c1C ZINC001333709409 976022553 /nfs/dbraw/zinc/02/25/53/976022553.db2.gz ZAZIZAQWZLHOHC-UHFFFAOYSA-N 1 2 218.264 1.206 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000259643634 976605842 /nfs/dbraw/zinc/60/58/42/976605842.db2.gz BDFNQWGFJXYOKW-NSHDSACASA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000259643634 976605848 /nfs/dbraw/zinc/60/58/48/976605848.db2.gz BDFNQWGFJXYOKW-NSHDSACASA-N 1 2 226.283 1.908 20 30 BDEDLO C#Cc1cc(Nc2ccc(O)c(OC)c2)cc[nH+]1 ZINC001174540506 976831263 /nfs/dbraw/zinc/83/12/63/976831263.db2.gz OLEOMXJWOGWZEV-UHFFFAOYSA-N 1 2 240.262 1.943 20 30 BDEDLO C#Cc1cc(Nc2cc(C)cnc2OC)cc[nH+]1 ZINC001175337515 977381817 /nfs/dbraw/zinc/38/18/17/977381817.db2.gz RSPFRWIFQWRBEM-UHFFFAOYSA-N 1 2 239.278 1.940 20 30 BDEDLO C[N@H+](CCC#N)Cc1c[nH]c2cccnc12 ZINC001231485346 977603339 /nfs/dbraw/zinc/60/33/39/977603339.db2.gz GFLJETAVQQOJHP-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cccnc12 ZINC001231485346 977603345 /nfs/dbraw/zinc/60/33/45/977603345.db2.gz GFLJETAVQQOJHP-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C=C1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC001336516894 977743005 /nfs/dbraw/zinc/74/30/05/977743005.db2.gz PTDFEXZWGOXAJA-UHFFFAOYSA-N 1 2 218.304 1.699 20 30 BDEDLO C=C1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC001336516894 977743018 /nfs/dbraw/zinc/74/30/18/977743018.db2.gz PTDFEXZWGOXAJA-UHFFFAOYSA-N 1 2 218.304 1.699 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cncc(O)c1 ZINC001232042096 977867747 /nfs/dbraw/zinc/86/77/47/977867747.db2.gz NMMPNBOHYQFUOP-UHFFFAOYSA-N 1 2 204.273 1.961 20 30 BDEDLO C#Cc1cc(Nc2c[nH+]ccc2OC)ccn1 ZINC001176117135 977944300 /nfs/dbraw/zinc/94/43/00/977944300.db2.gz SUFRIOHIINBJHG-UHFFFAOYSA-N 1 2 225.251 1.632 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N1CCn2c[nH+]cc2C1 ZINC001336792582 977958932 /nfs/dbraw/zinc/95/89/32/977958932.db2.gz PQDHZCXUPMIKJF-NSHDSACASA-N 1 2 233.315 1.828 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)C(=C)C)C1 ZINC001277636766 977980115 /nfs/dbraw/zinc/98/01/15/977980115.db2.gz NUWJTHVHPDPLEJ-UHFFFAOYSA-N 1 2 248.370 1.755 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccc(N)nc2C)CC1 ZINC001232345060 978027021 /nfs/dbraw/zinc/02/70/21/978027021.db2.gz YGDPLJLASYBKIA-UHFFFAOYSA-N 1 2 246.358 1.276 20 30 BDEDLO Cc1nc(N)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001232347989 978028187 /nfs/dbraw/zinc/02/81/87/978028187.db2.gz WUMXIUCZEBTLNC-CYBMUJFWSA-N 1 2 230.315 1.708 20 30 BDEDLO Cc1nc(N)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001232347989 978028198 /nfs/dbraw/zinc/02/81/98/978028198.db2.gz WUMXIUCZEBTLNC-CYBMUJFWSA-N 1 2 230.315 1.708 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(CC)CC2)C1 ZINC001277660459 978052161 /nfs/dbraw/zinc/05/21/61/978052161.db2.gz TWHDBPJPWILDQP-UHFFFAOYSA-N 1 2 234.343 1.343 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC(C)(F)F)C1 ZINC001277660158 978053768 /nfs/dbraw/zinc/05/37/68/978053768.db2.gz OWKMCEQQOHIZPN-UHFFFAOYSA-N 1 2 246.301 1.750 20 30 BDEDLO N#CCc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001176832275 978199905 /nfs/dbraw/zinc/19/99/05/978199905.db2.gz MBKAMFLMSNHISE-UHFFFAOYSA-N 1 2 240.266 1.657 20 30 BDEDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674035 978228780 /nfs/dbraw/zinc/22/87/80/978228780.db2.gz QHHJALHNAURYNN-PWSUYJOCSA-N 1 2 246.310 1.467 20 30 BDEDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674035 978228791 /nfs/dbraw/zinc/22/87/91/978228791.db2.gz QHHJALHNAURYNN-PWSUYJOCSA-N 1 2 246.310 1.467 20 30 BDEDLO N#Cc1ccc(O)c(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001232673553 978231852 /nfs/dbraw/zinc/23/18/52/978231852.db2.gz IZVCYQILCYRZIU-UHFFFAOYSA-N 1 2 244.294 1.221 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCCO1 ZINC001232673535 978232970 /nfs/dbraw/zinc/23/29/70/978232970.db2.gz IJEMGVOLOFMHJN-LLVKDONJSA-N 1 2 246.310 1.875 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCCO1 ZINC001232673535 978232983 /nfs/dbraw/zinc/23/29/83/978232983.db2.gz IJEMGVOLOFMHJN-LLVKDONJSA-N 1 2 246.310 1.875 20 30 BDEDLO C#CCCCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001597256928 978303840 /nfs/dbraw/zinc/30/38/40/978303840.db2.gz AIJZZZHHZAIFPI-UHFFFAOYSA-N 1 2 219.288 1.392 20 30 BDEDLO C#CCCCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001597256928 978303854 /nfs/dbraw/zinc/30/38/54/978303854.db2.gz AIJZZZHHZAIFPI-UHFFFAOYSA-N 1 2 219.288 1.392 20 30 BDEDLO CCOC(=O)CC[N@H+](C)Cc1[nH]ccc1C#N ZINC001233046634 978430862 /nfs/dbraw/zinc/43/08/62/978430862.db2.gz DLSICJXNZRIZCB-UHFFFAOYSA-N 1 2 235.287 1.271 20 30 BDEDLO CCOC(=O)CC[N@@H+](C)Cc1[nH]ccc1C#N ZINC001233046634 978430871 /nfs/dbraw/zinc/43/08/71/978430871.db2.gz DLSICJXNZRIZCB-UHFFFAOYSA-N 1 2 235.287 1.271 20 30 BDEDLO C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC001337708991 978466877 /nfs/dbraw/zinc/46/68/77/978466877.db2.gz VOLBWFLRDIYTFE-WCQYABFASA-N 1 2 246.314 1.596 20 30 BDEDLO N#C[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC001233363635 978577310 /nfs/dbraw/zinc/57/73/10/978577310.db2.gz RHNIIKLIGIJPKH-NSHDSACASA-N 1 2 226.283 1.680 20 30 BDEDLO COC1C[NH+](Cc2ccc(C#N)cc2O)C1 ZINC001233383816 978595447 /nfs/dbraw/zinc/59/54/47/978595447.db2.gz XFQXSZCJSCGTJP-UHFFFAOYSA-N 1 2 218.256 1.094 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486786 978611161 /nfs/dbraw/zinc/61/11/61/978611161.db2.gz BUARFVUNCBAEMD-CYBMUJFWSA-N 1 2 248.282 1.539 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486786 978611164 /nfs/dbraw/zinc/61/11/64/978611164.db2.gz BUARFVUNCBAEMD-CYBMUJFWSA-N 1 2 248.282 1.539 20 30 BDEDLO C=CCN(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001338561922 978707528 /nfs/dbraw/zinc/70/75/28/978707528.db2.gz RLSOJFRDDBDVBE-UHFFFAOYSA-N 1 2 249.362 1.423 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001338555522 978707554 /nfs/dbraw/zinc/70/75/54/978707554.db2.gz DMCOSTVVBDPNQY-NXEZZACHSA-N 1 2 220.276 1.205 20 30 BDEDLO C#CCc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001249949891 978782779 /nfs/dbraw/zinc/78/27/79/978782779.db2.gz WFVWIXVBVRQLAX-UHFFFAOYSA-N 1 2 201.269 1.039 20 30 BDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001234604341 978872348 /nfs/dbraw/zinc/87/23/48/978872348.db2.gz OJBAMORHXZILFK-LBPRGKRZSA-N 1 2 242.338 1.845 20 30 BDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001234604341 978872351 /nfs/dbraw/zinc/87/23/51/978872351.db2.gz OJBAMORHXZILFK-LBPRGKRZSA-N 1 2 242.338 1.845 20 30 BDEDLO Cc1noc(NC(=O)[C@@H](C)[NH+]2CCCC2)c1C#N ZINC001180576421 978897300 /nfs/dbraw/zinc/89/73/00/978897300.db2.gz NVPSJZYDPPUOHZ-SECBINFHSA-N 1 2 248.286 1.278 20 30 BDEDLO C#CCN(CC1CC1)c1[nH+]cnc2c1cnn2C ZINC001339968438 978950097 /nfs/dbraw/zinc/95/00/97/978950097.db2.gz XRBKDPVWYIXBHI-UHFFFAOYSA-N 1 2 241.298 1.213 20 30 BDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001340040071 978960203 /nfs/dbraw/zinc/96/02/03/978960203.db2.gz RAUUFTNMLDSWKY-NSHDSACASA-N 1 2 247.346 1.041 20 30 BDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001340040071 978960206 /nfs/dbraw/zinc/96/02/06/978960206.db2.gz RAUUFTNMLDSWKY-NSHDSACASA-N 1 2 247.346 1.041 20 30 BDEDLO C#CCN1CC[NH+](Cc2cccc(CC)n2)CC1 ZINC001235257297 979009726 /nfs/dbraw/zinc/00/97/26/979009726.db2.gz GQEMMWXXUGZUCX-UHFFFAOYSA-N 1 2 243.354 1.395 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(CC)n2)CC1 ZINC001235257297 979009730 /nfs/dbraw/zinc/00/97/30/979009730.db2.gz GQEMMWXXUGZUCX-UHFFFAOYSA-N 1 2 243.354 1.395 20 30 BDEDLO C=CCCCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181279239 979032456 /nfs/dbraw/zinc/03/24/56/979032456.db2.gz IVQUJBZGFFPTQY-UHFFFAOYSA-N 1 2 219.288 1.289 20 30 BDEDLO C[C@@H](CC#N)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001341949633 979601929 /nfs/dbraw/zinc/60/19/29/979601929.db2.gz LMTCDZQQBXZBED-JTQLQIEISA-N 1 2 247.298 1.607 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC001342033118 979630177 /nfs/dbraw/zinc/63/01/77/979630177.db2.gz DREBVJXTNTYZOQ-QWRGUYRKSA-N 1 2 236.319 1.153 20 30 BDEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC001342033118 979630189 /nfs/dbraw/zinc/63/01/89/979630189.db2.gz DREBVJXTNTYZOQ-QWRGUYRKSA-N 1 2 236.319 1.153 20 30 BDEDLO C#CC[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001342707665 979873897 /nfs/dbraw/zinc/87/38/97/979873897.db2.gz AYSDHRYYDGWYSZ-LLVKDONJSA-N 1 2 246.310 1.717 20 30 BDEDLO C#CC[N@@H+](C)Cc1[nH]nc2cc(OC)ccc21 ZINC001237392264 979881831 /nfs/dbraw/zinc/88/18/31/979881831.db2.gz NWTWNFFXCDTKDZ-UHFFFAOYSA-N 1 2 229.283 1.637 20 30 BDEDLO C#CC[N@H+](C)Cc1[nH]nc2cc(OC)ccc21 ZINC001237392264 979881832 /nfs/dbraw/zinc/88/18/32/979881832.db2.gz NWTWNFFXCDTKDZ-UHFFFAOYSA-N 1 2 229.283 1.637 20 30 BDEDLO C#CC[N@@H+](C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237392264 979881833 /nfs/dbraw/zinc/88/18/33/979881833.db2.gz NWTWNFFXCDTKDZ-UHFFFAOYSA-N 1 2 229.283 1.637 20 30 BDEDLO C#CC[N@H+](C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237392264 979881834 /nfs/dbraw/zinc/88/18/34/979881834.db2.gz NWTWNFFXCDTKDZ-UHFFFAOYSA-N 1 2 229.283 1.637 20 30 BDEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](C#N)CC2)nc1 ZINC001237808905 980059824 /nfs/dbraw/zinc/05/98/24/980059824.db2.gz SYRRYFUIMUCCJI-GFCCVEGCSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1cnc(C[N@H+]2CCC[C@@H](C#N)CC2)nc1 ZINC001237808905 980059838 /nfs/dbraw/zinc/05/98/38/980059838.db2.gz SYRRYFUIMUCCJI-GFCCVEGCSA-N 1 2 230.315 1.911 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)CCc1[nH+]ccn1C ZINC001346282582 980805034 /nfs/dbraw/zinc/80/50/34/980805034.db2.gz DAEFIQIOFUWCHL-LLVKDONJSA-N 1 2 248.330 1.361 20 30 BDEDLO C=C(CC(C)C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001347054795 980959368 /nfs/dbraw/zinc/95/93/68/980959368.db2.gz DLUGXKNWACEFNY-LBPRGKRZSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C(CC(C)C)C(=O)NCCc1c[nH+]cn1C ZINC001348223216 981310702 /nfs/dbraw/zinc/31/07/02/981310702.db2.gz RDHFEBPSOWJNPK-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO N#Cc1nccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240495886 981415610 /nfs/dbraw/zinc/41/56/10/981415610.db2.gz BHSBRELGSFETND-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#Cc1ccnc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497280 981418776 /nfs/dbraw/zinc/41/87/76/981418776.db2.gz UTQAOCADNLRHRZ-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO C[C@@H](C#N)N(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001351074960 982199224 /nfs/dbraw/zinc/19/92/24/982199224.db2.gz JGPVNISHAMLKOA-UWVGGRQHSA-N 1 2 232.287 1.347 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001351627588 982345877 /nfs/dbraw/zinc/34/58/77/982345877.db2.gz IGIPVOVYDBCBJV-NWDGAFQWSA-N 1 2 233.315 1.869 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cncc(C#N)n1 ZINC001241228155 982376826 /nfs/dbraw/zinc/37/68/26/982376826.db2.gz HPPYMERLAJPQEZ-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO Cc1nc(C#N)cnc1Nc1ccc(N)[nH+]c1 ZINC001201278129 983176887 /nfs/dbraw/zinc/17/68/87/983176887.db2.gz AVTJOKLKBBULQN-UHFFFAOYSA-N 1 2 226.243 1.378 20 30 BDEDLO COc1nc(-c2c[nH+]c(N)cc2C)ncc1C#N ZINC001242070972 983304521 /nfs/dbraw/zinc/30/45/21/983304521.db2.gz PULWZPUOOARTQD-UHFFFAOYSA-N 1 2 241.254 1.310 20 30 BDEDLO COc1ccnc(-c2c[nH+]c(N)cc2C)c1C#N ZINC001242070883 983306460 /nfs/dbraw/zinc/30/64/60/983306460.db2.gz OCZTZUWOIMTAQE-UHFFFAOYSA-N 1 2 240.266 1.915 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718298767 984427506 /nfs/dbraw/zinc/42/75/06/984427506.db2.gz PDDZLLSTVAYYDJ-STQMWFEESA-N 1 2 214.268 1.531 20 30 BDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718298767 984427511 /nfs/dbraw/zinc/42/75/11/984427511.db2.gz PDDZLLSTVAYYDJ-STQMWFEESA-N 1 2 214.268 1.531 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1CCC1 ZINC001275486457 984577720 /nfs/dbraw/zinc/57/77/20/984577720.db2.gz GFIHUOMANKUUKG-SNVBAGLBSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1CCC1 ZINC001275486457 984577739 /nfs/dbraw/zinc/57/77/39/984577739.db2.gz GFIHUOMANKUUKG-SNVBAGLBSA-N 1 2 244.766 1.976 20 30 BDEDLO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@H](C)C#N)[nH+]c1C ZINC001455758408 985090690 /nfs/dbraw/zinc/09/06/90/985090690.db2.gz CBSKYACWJQIQKE-KCJUWKMLSA-N 1 2 246.314 1.850 20 30 BDEDLO Cc1[nH]c([C@H]2CCCN2C(=O)[C@@H](C)C#N)[nH+]c1C ZINC001455758404 985093995 /nfs/dbraw/zinc/09/39/95/985093995.db2.gz CBSKYACWJQIQKE-GZMMTYOYSA-N 1 2 246.314 1.850 20 30 BDEDLO C=C[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001253571881 986090810 /nfs/dbraw/zinc/09/08/10/986090810.db2.gz KNTKAFPXQZPFHN-PSASIEDQSA-N 1 2 208.261 1.094 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001253584923 986164599 /nfs/dbraw/zinc/16/45/99/986164599.db2.gz SMCPJIPWYGCTFF-DGCLKSJQSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001253584923 986164623 /nfs/dbraw/zinc/16/46/23/986164623.db2.gz SMCPJIPWYGCTFF-DGCLKSJQSA-N 1 2 234.299 1.002 20 30 BDEDLO CCCn1c[nH+]cc1CN(CC#N)C1CC1 ZINC001461911520 986224397 /nfs/dbraw/zinc/22/43/97/986224397.db2.gz HYJMXVSBGSPBSH-UHFFFAOYSA-N 1 2 218.304 1.781 20 30 BDEDLO N#CCC[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001255038970 986801926 /nfs/dbraw/zinc/80/19/26/986801926.db2.gz QINBWZRIJDONST-UHFFFAOYSA-N 1 2 245.326 1.976 20 30 BDEDLO N#CCC[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001255038970 986801932 /nfs/dbraw/zinc/80/19/32/986801932.db2.gz QINBWZRIJDONST-UHFFFAOYSA-N 1 2 245.326 1.976 20 30 BDEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N)C(C)C ZINC001470397082 987046374 /nfs/dbraw/zinc/04/63/74/987046374.db2.gz DMRRXKDGNPCKNS-NSHDSACASA-N 1 2 246.314 1.121 20 30 BDEDLO Cc1ccc(C[C@@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001255787159 987072394 /nfs/dbraw/zinc/07/23/94/987072394.db2.gz GYAUFTXOJOLDCH-UKRRQHHQSA-N 1 2 243.354 1.723 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CC2CC2)CC1 ZINC001472929759 987303655 /nfs/dbraw/zinc/30/36/55/987303655.db2.gz CYDIMGKLPLNWOX-UHFFFAOYSA-N 1 2 208.305 1.117 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC001473330943 987397241 /nfs/dbraw/zinc/39/72/41/987397241.db2.gz CPUNPPMERYJXOY-CYBMUJFWSA-N 1 2 227.267 1.924 20 30 BDEDLO C#CCN(CC#CC)Cc1c[nH+]cn1CCC ZINC001474369211 987700888 /nfs/dbraw/zinc/70/08/88/987700888.db2.gz HUIIOEVZHSFFOF-UHFFFAOYSA-N 1 2 229.327 1.752 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C(=O)OCC)n[nH]1)C1CC1 ZINC001118201769 988097867 /nfs/dbraw/zinc/09/78/67/988097867.db2.gz MVWVNDOCPZDRAC-UHFFFAOYSA-N 1 2 247.298 1.184 20 30 BDEDLO C#CC[N@H+](Cc1cc(C(=O)OCC)n[nH]1)C1CC1 ZINC001118201769 988097881 /nfs/dbraw/zinc/09/78/81/988097881.db2.gz MVWVNDOCPZDRAC-UHFFFAOYSA-N 1 2 247.298 1.184 20 30 BDEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#C ZINC001494650858 988170873 /nfs/dbraw/zinc/17/08/73/988170873.db2.gz PWMNTWZCDKPPIQ-KBPBESRZSA-N 1 2 244.338 1.098 20 30 BDEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#C ZINC001494650858 988170892 /nfs/dbraw/zinc/17/08/92/988170892.db2.gz PWMNTWZCDKPPIQ-KBPBESRZSA-N 1 2 244.338 1.098 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC001323093371 988451464 /nfs/dbraw/zinc/45/14/64/988451464.db2.gz HOGYCMURVZTUEV-SECBINFHSA-N 1 2 223.276 1.021 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC001323093371 988451470 /nfs/dbraw/zinc/45/14/70/988451470.db2.gz HOGYCMURVZTUEV-SECBINFHSA-N 1 2 223.276 1.021 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001323290068 988486437 /nfs/dbraw/zinc/48/64/37/988486437.db2.gz IBSXEPNMEIWKQF-GHMZBOCLSA-N 1 2 233.315 1.608 20 30 BDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001499043973 988533594 /nfs/dbraw/zinc/53/35/94/988533594.db2.gz OGQWIIOXEITHSP-LBPRGKRZSA-N 1 2 240.322 1.340 20 30 BDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001499043973 988533604 /nfs/dbraw/zinc/53/36/04/988533604.db2.gz OGQWIIOXEITHSP-LBPRGKRZSA-N 1 2 240.322 1.340 20 30 BDEDLO N#CC1(CC(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC001118849323 988649189 /nfs/dbraw/zinc/64/91/89/988649189.db2.gz ROMAXELUFCGJLY-SECBINFHSA-N 1 2 230.271 1.138 20 30 BDEDLO Cc1nccc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC001325891269 989300045 /nfs/dbraw/zinc/30/00/45/989300045.db2.gz LLQDCBVSRMCCNB-LLVKDONJSA-N 1 2 229.287 1.318 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)OC(C)C ZINC001326625085 989631053 /nfs/dbraw/zinc/63/10/53/989631053.db2.gz XXHWZFUHKPYSJT-LLVKDONJSA-N 1 2 211.305 1.979 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)OC(C)C ZINC001326625085 989631057 /nfs/dbraw/zinc/63/10/57/989631057.db2.gz XXHWZFUHKPYSJT-LLVKDONJSA-N 1 2 211.305 1.979 20 30 BDEDLO C=CCOCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001527606574 990229452 /nfs/dbraw/zinc/22/94/52/990229452.db2.gz VAFIWGYHWUWWSC-UHFFFAOYSA-N 1 2 231.255 1.475 20 30 BDEDLO C=C(CC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001528510590 990294378 /nfs/dbraw/zinc/29/43/78/990294378.db2.gz XHTJWSOWGQMGQD-JTQLQIEISA-N 1 2 219.288 1.280 20 30 BDEDLO C=C(CC)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001123552226 990608370 /nfs/dbraw/zinc/60/83/70/990608370.db2.gz YKVGBBFPALFPLT-UHFFFAOYSA-N 1 2 232.283 1.637 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001123983991 990722746 /nfs/dbraw/zinc/72/27/46/990722746.db2.gz QMWGFOICNMYJON-GFCCVEGCSA-N 1 2 245.326 1.367 20 30 BDEDLO C=C(C)CONC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001557330013 990885014 /nfs/dbraw/zinc/88/50/14/990885014.db2.gz SYYLDWZIPDGECY-SNVBAGLBSA-N 1 2 230.283 1.044 20 30 BDEDLO C=C(C)CONC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001557330013 990885015 /nfs/dbraw/zinc/88/50/15/990885015.db2.gz SYYLDWZIPDGECY-SNVBAGLBSA-N 1 2 230.283 1.044 20 30 BDEDLO C=CCc1cccc(C[N@@H+]2CCNC(=O)C2)c1O ZINC001138623858 990985049 /nfs/dbraw/zinc/98/50/49/990985049.db2.gz JJLQARDAVDFJMT-UHFFFAOYSA-N 1 2 246.310 1.053 20 30 BDEDLO C=CCc1cccc(C[N@H+]2CCNC(=O)C2)c1O ZINC001138623858 990985056 /nfs/dbraw/zinc/98/50/56/990985056.db2.gz JJLQARDAVDFJMT-UHFFFAOYSA-N 1 2 246.310 1.053 20 30 BDEDLO CCOc1cncc(C[NH2+][C@H](C)CC#N)c1 ZINC001308505481 991015395 /nfs/dbraw/zinc/01/53/95/991015395.db2.gz HRACMHBIEIIBHL-SNVBAGLBSA-N 1 2 219.288 1.872 20 30 BDEDLO CCc1ncc(C[NH2+]CC(C)(C)C#N)cn1 ZINC001308547138 991028925 /nfs/dbraw/zinc/02/89/25/991028925.db2.gz TZBOPSWZVMFGQW-UHFFFAOYSA-N 1 2 218.304 1.678 20 30 BDEDLO CCNc1ccc(Nc2ccc(C#N)nn2)c[nH+]1 ZINC001559305050 991069738 /nfs/dbraw/zinc/06/97/38/991069738.db2.gz SVZMHWGWBARJER-UHFFFAOYSA-N 1 2 240.270 1.919 20 30 BDEDLO CSC(C)(C)C[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258333844 991263187 /nfs/dbraw/zinc/26/31/87/991263187.db2.gz BKBYDYMEIUSRDS-MNOVXSKESA-N 1 2 241.404 1.704 20 30 BDEDLO CC1(O)C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139702254 991330013 /nfs/dbraw/zinc/33/00/13/991330013.db2.gz XZADZAZUGOIVHT-UHFFFAOYSA-N 1 2 241.294 1.606 20 30 BDEDLO CC(C)(C#N)CNC(=O)NCc1ccc[nH+]c1N ZINC001312480445 991352284 /nfs/dbraw/zinc/35/22/84/991352284.db2.gz ONJZOXGBETYKPG-UHFFFAOYSA-N 1 2 247.302 1.013 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCOC[C@H]2CC)cn1 ZINC001139772957 991354942 /nfs/dbraw/zinc/35/49/42/991354942.db2.gz VDDFFFGRRHUMKG-CYBMUJFWSA-N 1 2 235.331 1.680 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCOC[C@H]2CC)cn1 ZINC001139772957 991354959 /nfs/dbraw/zinc/35/49/59/991354959.db2.gz VDDFFFGRRHUMKG-CYBMUJFWSA-N 1 2 235.331 1.680 20 30 BDEDLO C=CCn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001139765294 991356371 /nfs/dbraw/zinc/35/63/71/991356371.db2.gz APDPNOCMFPQSCP-TXEJJXNPSA-N 1 2 235.331 1.678 20 30 BDEDLO C=CCn1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001139765294 991356380 /nfs/dbraw/zinc/35/63/80/991356380.db2.gz APDPNOCMFPQSCP-TXEJJXNPSA-N 1 2 235.331 1.678 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCC(=O)[C@H](C)CC2)cn1 ZINC001139768912 991363258 /nfs/dbraw/zinc/36/32/58/991363258.db2.gz WKJMZMZVNLYISZ-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCC(=O)[C@H](C)CC2)cn1 ZINC001139768912 991363262 /nfs/dbraw/zinc/36/32/62/991363262.db2.gz WKJMZMZVNLYISZ-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO CC#CC[N@H+]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCC ZINC001560243608 991441103 /nfs/dbraw/zinc/44/11/03/991441103.db2.gz XYMDYJHVFPSWTC-TUAOUCFPSA-N 1 2 221.300 1.426 20 30 BDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCC ZINC001560243608 991441107 /nfs/dbraw/zinc/44/11/07/991441107.db2.gz XYMDYJHVFPSWTC-TUAOUCFPSA-N 1 2 221.300 1.426 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccnc(SC)n1 ZINC001140035040 991489168 /nfs/dbraw/zinc/48/91/68/991489168.db2.gz DVLRJHRNFFIIPV-UHFFFAOYSA-N 1 2 207.302 1.264 20 30 BDEDLO C#CC[N@H+](C)Cc1ccnc(SC)n1 ZINC001140035040 991489170 /nfs/dbraw/zinc/48/91/70/991489170.db2.gz DVLRJHRNFFIIPV-UHFFFAOYSA-N 1 2 207.302 1.264 20 30 BDEDLO CCn1c[nH+]cc1CN(C)C[C@@H](C)C#N ZINC001560693748 991558472 /nfs/dbraw/zinc/55/84/72/991558472.db2.gz NCVBTEQEJPLZAU-JTQLQIEISA-N 1 2 206.293 1.494 20 30 BDEDLO COCCO[NH+]=C(N)c1ccc(F)cc1 ZINC001317797329 991587232 /nfs/dbraw/zinc/58/72/32/991587232.db2.gz LGRMFXDGMWNMHG-UHFFFAOYSA-N 1 2 212.224 1.109 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)/C(C)=C/CC)C1 ZINC001318004230 991608494 /nfs/dbraw/zinc/60/84/94/991608494.db2.gz UGCARZRSAPCKQG-YRNVUSSQSA-N 1 2 220.316 1.166 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc2n[nH]cc2c1 ZINC001140381758 991625910 /nfs/dbraw/zinc/62/59/10/991625910.db2.gz AQKMOCSYCBVDAK-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc2n[nH]cc2c1 ZINC001140381758 991625913 /nfs/dbraw/zinc/62/59/13/991625913.db2.gz AQKMOCSYCBVDAK-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318146780 991627553 /nfs/dbraw/zinc/62/75/53/991627553.db2.gz WCVDMXOBYKSXIK-MWLCHTKSSA-N 1 2 220.276 1.253 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318167737 991629394 /nfs/dbraw/zinc/62/93/94/991629394.db2.gz SYUHWBWYBQDRHS-NSHDSACASA-N 1 2 234.303 1.595 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)nc1)Cc1ccccn1 ZINC001140540546 991666232 /nfs/dbraw/zinc/66/62/32/991666232.db2.gz ABXCJAAYGVRZRA-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)nc1)Cc1ccccn1 ZINC001140540546 991666234 /nfs/dbraw/zinc/66/62/34/991666234.db2.gz ABXCJAAYGVRZRA-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C#CC1(O)C[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC001474738687 991857304 /nfs/dbraw/zinc/85/73/04/991857304.db2.gz WMWAUADDBLQEEG-ZDUSSCGKSA-N 1 2 227.307 1.396 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(CC)no2)C1 ZINC001320161458 992117698 /nfs/dbraw/zinc/11/76/98/992117698.db2.gz ZHGIANREIDZVRE-SNVBAGLBSA-N 1 2 237.303 1.409 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(CC)no2)C1 ZINC001320161458 992117704 /nfs/dbraw/zinc/11/77/04/992117704.db2.gz ZHGIANREIDZVRE-SNVBAGLBSA-N 1 2 237.303 1.409 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(CCC)CCC1 ZINC001569370269 992374210 /nfs/dbraw/zinc/37/42/10/992374210.db2.gz NORJGHWXKAMLBG-ZDUSSCGKSA-N 1 2 248.370 1.781 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(CCC)CCC1 ZINC001569370269 992374222 /nfs/dbraw/zinc/37/42/22/992374222.db2.gz NORJGHWXKAMLBG-ZDUSSCGKSA-N 1 2 248.370 1.781 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)/C=C\c2ccc[nH]2)C1 ZINC001569489919 992401119 /nfs/dbraw/zinc/40/11/19/992401119.db2.gz HZUAIAUIFBTAQP-SREVYHEPSA-N 1 2 245.326 1.357 20 30 BDEDLO COCC1C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC001262168078 992736612 /nfs/dbraw/zinc/73/66/12/992736612.db2.gz KKVQPNQHYXUNDI-SNVBAGLBSA-N 1 2 207.277 1.008 20 30 BDEDLO C=C(Br)C[NH2+]Cc1ccn(CC)n1 ZINC001308253655 995601621 /nfs/dbraw/zinc/60/16/21/995601621.db2.gz FYFHRKKHQWGFAB-UHFFFAOYSA-N 1 2 244.136 1.901 20 30 BDEDLO CC(C)N1CCC[C@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000336712680 398135344 /nfs/dbraw/zinc/13/53/44/398135344.db2.gz OKKSOOKGIJJEBF-RYUDHWBXSA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N1CCC[C@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000336712680 398135348 /nfs/dbraw/zinc/13/53/48/398135348.db2.gz OKKSOOKGIJJEBF-RYUDHWBXSA-N 1 2 237.347 1.477 20 30 BDEDLO Cc1cn2ccc(C(=O)NC3(C#N)CC3)cc2[nH+]1 ZINC000602101959 349441265 /nfs/dbraw/zinc/44/12/65/349441265.db2.gz GJMQGQDLCWRHGA-UHFFFAOYSA-N 1 2 240.266 1.429 20 30 BDEDLO C=C(Br)C[N@@H+](C)CCOCC ZINC000093316892 343977162 /nfs/dbraw/zinc/97/71/62/343977162.db2.gz OQUBJFYGMGQPFX-UHFFFAOYSA-N 1 2 222.126 1.863 20 30 BDEDLO C=C(Br)C[N@H+](C)CCOCC ZINC000093316892 343977164 /nfs/dbraw/zinc/97/71/64/343977164.db2.gz OQUBJFYGMGQPFX-UHFFFAOYSA-N 1 2 222.126 1.863 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268468414 398140933 /nfs/dbraw/zinc/14/09/33/398140933.db2.gz LWPJYYHWWTUZMV-NSHDSACASA-N 1 2 218.304 1.316 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268468414 398140934 /nfs/dbraw/zinc/14/09/34/398140934.db2.gz LWPJYYHWWTUZMV-NSHDSACASA-N 1 2 218.304 1.316 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC1CCCC1 ZINC000042454510 398171977 /nfs/dbraw/zinc/17/19/77/398171977.db2.gz JQPUZTJSFICWPH-NSHDSACASA-N 1 2 237.347 1.669 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC1CCCC1 ZINC000042454510 398171982 /nfs/dbraw/zinc/17/19/82/398171982.db2.gz JQPUZTJSFICWPH-NSHDSACASA-N 1 2 237.347 1.669 20 30 BDEDLO C=CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649941807 398192555 /nfs/dbraw/zinc/19/25/55/398192555.db2.gz LNXCJGULPCGGNW-SNVBAGLBSA-N 1 2 207.277 1.479 20 30 BDEDLO C=CC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426218437 398215639 /nfs/dbraw/zinc/21/56/39/398215639.db2.gz XGYIIVHABOINKA-LLVKDONJSA-N 1 2 210.321 1.361 20 30 BDEDLO C=CC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426218437 398215644 /nfs/dbraw/zinc/21/56/44/398215644.db2.gz XGYIIVHABOINKA-LLVKDONJSA-N 1 2 210.321 1.361 20 30 BDEDLO Cc1cc(NC(=O)c2ccc(C#N)nc2)cc[nH+]1 ZINC000115381805 178149869 /nfs/dbraw/zinc/14/98/69/178149869.db2.gz DXYJNZINJJQLFJ-UHFFFAOYSA-N 1 2 238.250 1.909 20 30 BDEDLO C[C@@H](O[NH+]=C(N)CCO)c1ccc(C#N)cc1 ZINC000194668245 136221222 /nfs/dbraw/zinc/22/12/22/136221222.db2.gz RIROSLKVXWBBJL-SECBINFHSA-N 1 2 233.271 1.290 20 30 BDEDLO Cc1cc(NCCn2cc[nH+]c2)cc(C#N)n1 ZINC000308276710 178163320 /nfs/dbraw/zinc/16/33/20/178163320.db2.gz HYNXCIATEFZWFT-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)nc1 ZINC000576409279 365590111 /nfs/dbraw/zinc/59/01/11/365590111.db2.gz OAUCCOZAVMYCFX-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)nc1 ZINC000576409279 365590116 /nfs/dbraw/zinc/59/01/16/365590116.db2.gz OAUCCOZAVMYCFX-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558863069 398228728 /nfs/dbraw/zinc/22/87/28/398228728.db2.gz IBUBXRNRNUHHSO-ZJUUUORDSA-N 1 2 243.257 1.743 20 30 BDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558863069 398228730 /nfs/dbraw/zinc/22/87/30/398228730.db2.gz IBUBXRNRNUHHSO-ZJUUUORDSA-N 1 2 243.257 1.743 20 30 BDEDLO C#CC[N@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000366719754 166171816 /nfs/dbraw/zinc/17/18/16/166171816.db2.gz PXVAMOXQAKISBT-JTQLQIEISA-N 1 2 204.277 1.273 20 30 BDEDLO C#CC[N@@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000366719754 166171817 /nfs/dbraw/zinc/17/18/17/166171817.db2.gz PXVAMOXQAKISBT-JTQLQIEISA-N 1 2 204.277 1.273 20 30 BDEDLO C=CCN(CC=C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276734636 538933300 /nfs/dbraw/zinc/93/33/00/538933300.db2.gz UDRLWFGUTBIJDU-UHFFFAOYSA-N 1 2 219.288 1.543 20 30 BDEDLO C=CCN(CC=C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276734636 538933301 /nfs/dbraw/zinc/93/33/01/538933301.db2.gz UDRLWFGUTBIJDU-UHFFFAOYSA-N 1 2 219.288 1.543 20 30 BDEDLO COc1ncc(C[NH2+][C@H]2CCC[C@H]2C#N)c(C)n1 ZINC000331324507 136226285 /nfs/dbraw/zinc/22/62/85/136226285.db2.gz FXAGEFHVGVGZLF-JQWIXIFHSA-N 1 2 246.314 1.576 20 30 BDEDLO C=CC[C@H](CC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281567567 538938928 /nfs/dbraw/zinc/93/89/28/538938928.db2.gz AMYMVEYQYRVVOI-JTQLQIEISA-N 1 2 221.304 1.813 20 30 BDEDLO C=CC[C@H](CC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281567567 538938929 /nfs/dbraw/zinc/93/89/29/538938929.db2.gz AMYMVEYQYRVVOI-JTQLQIEISA-N 1 2 221.304 1.813 20 30 BDEDLO C[C@@H](C#N)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000602423116 349530441 /nfs/dbraw/zinc/53/04/41/349530441.db2.gz HUSVXYVMBUXWNH-JTQLQIEISA-N 1 2 220.276 1.034 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602447559 349547763 /nfs/dbraw/zinc/54/77/63/349547763.db2.gz MWQVGBLCHSCXGG-JTQLQIEISA-N 1 2 214.272 1.545 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602447559 349547765 /nfs/dbraw/zinc/54/77/65/349547765.db2.gz MWQVGBLCHSCXGG-JTQLQIEISA-N 1 2 214.272 1.545 20 30 BDEDLO C[C@H](CC#N)N(C)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602463751 349557307 /nfs/dbraw/zinc/55/73/07/349557307.db2.gz VKGPGRVSFISNBB-SNVBAGLBSA-N 1 2 247.298 1.587 20 30 BDEDLO Cc1ccc(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000043395744 178365817 /nfs/dbraw/zinc/36/58/17/178365817.db2.gz UMTTZRZLEKTRML-NSHDSACASA-N 1 2 241.298 1.959 20 30 BDEDLO Cc1c[nH]c(CN2CCC[C@](C)(C#N)C2)[nH+]1 ZINC000600143289 342689734 /nfs/dbraw/zinc/68/97/34/342689734.db2.gz AMXNTEPFAHGAOU-GFCCVEGCSA-N 1 2 218.304 1.844 20 30 BDEDLO C=C[C@@](C)(O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000616363364 342721552 /nfs/dbraw/zinc/72/15/52/342721552.db2.gz QPUHOZKLHYLTCV-CYBMUJFWSA-N 1 2 234.299 1.252 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)C(=O)OC ZINC000309663642 342779412 /nfs/dbraw/zinc/77/94/12/342779412.db2.gz SJCGKIHBWIRMIV-VWYCJHECSA-N 1 2 227.304 1.119 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000607725987 342782126 /nfs/dbraw/zinc/78/21/26/342782126.db2.gz DUTZALHDNUJFOG-UHFFFAOYSA-N 1 2 249.358 1.233 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cnccn1 ZINC000583980200 342814783 /nfs/dbraw/zinc/81/47/83/342814783.db2.gz AZYQXXKNWYLFIP-UHFFFAOYSA-N 1 2 207.277 1.111 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cnccn1 ZINC000583980200 342814784 /nfs/dbraw/zinc/81/47/84/342814784.db2.gz AZYQXXKNWYLFIP-UHFFFAOYSA-N 1 2 207.277 1.111 20 30 BDEDLO C=CCCC[N@@H+](C)Cc1nnnn1CCCC ZINC000076801751 342899006 /nfs/dbraw/zinc/89/90/06/342899006.db2.gz NLJZFOLADGYQNF-UHFFFAOYSA-N 1 2 237.351 1.871 20 30 BDEDLO C=CCCC[N@H+](C)Cc1nnnn1CCCC ZINC000076801751 342899007 /nfs/dbraw/zinc/89/90/07/342899007.db2.gz NLJZFOLADGYQNF-UHFFFAOYSA-N 1 2 237.351 1.871 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCc1ccccn1 ZINC000036667799 342909382 /nfs/dbraw/zinc/90/93/82/342909382.db2.gz ZILQTKQCGMZNHH-LLVKDONJSA-N 1 2 203.289 1.716 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCc1ccccn1 ZINC000036667799 342909390 /nfs/dbraw/zinc/90/93/90/342909390.db2.gz ZILQTKQCGMZNHH-LLVKDONJSA-N 1 2 203.289 1.716 20 30 BDEDLO COC(=O)[C@H](CC(F)F)[NH2+]C[C@H](C)CCC#N ZINC000602630327 349647425 /nfs/dbraw/zinc/64/74/25/349647425.db2.gz ADVNUGLUDHCNDD-BDAKNGLRSA-N 1 2 248.273 1.713 20 30 BDEDLO C[N@H+](Cc1cccc(C#N)n1)CC(C)(C)C#N ZINC000602677306 349670182 /nfs/dbraw/zinc/67/01/82/349670182.db2.gz ZAFRWWIMHOOAMH-UHFFFAOYSA-N 1 2 228.299 1.935 20 30 BDEDLO C[N@@H+](Cc1cccc(C#N)n1)CC(C)(C)C#N ZINC000602677306 349670184 /nfs/dbraw/zinc/67/01/84/349670184.db2.gz ZAFRWWIMHOOAMH-UHFFFAOYSA-N 1 2 228.299 1.935 20 30 BDEDLO CC[C@@](C)(C[N@@H+]1CC[C@@](F)(C#N)C1)OC ZINC000602629951 349665126 /nfs/dbraw/zinc/66/51/26/349665126.db2.gz NBUNXPKGHVQMKA-WDEREUQCSA-N 1 2 214.284 1.739 20 30 BDEDLO CC[C@@](C)(C[N@H+]1CC[C@@](F)(C#N)C1)OC ZINC000602629951 349665128 /nfs/dbraw/zinc/66/51/28/349665128.db2.gz NBUNXPKGHVQMKA-WDEREUQCSA-N 1 2 214.284 1.739 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1CCOCC(F)(F)C1 ZINC000602666254 349684736 /nfs/dbraw/zinc/68/47/36/349684736.db2.gz ZHVRVCMXQFOCOP-JTQLQIEISA-N 1 2 232.274 1.894 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1CCOCC(F)(F)C1 ZINC000602666254 349684740 /nfs/dbraw/zinc/68/47/40/349684740.db2.gz ZHVRVCMXQFOCOP-JTQLQIEISA-N 1 2 232.274 1.894 20 30 BDEDLO COc1cc(C[NH2+]CC2(C#N)CCC2)sn1 ZINC000602697216 349693156 /nfs/dbraw/zinc/69/31/56/349693156.db2.gz VXXOMAYMVGSQMY-UHFFFAOYSA-N 1 2 237.328 1.935 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)NCCCCC#N ZINC000493203725 529558669 /nfs/dbraw/zinc/55/86/69/529558669.db2.gz IONNDRJXTMAIHI-SREVYHEPSA-N 1 2 246.314 1.726 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)NCCCC#N ZINC000492542492 529559020 /nfs/dbraw/zinc/55/90/20/529559020.db2.gz ZKHIQBHNMQJDGP-WAYWQWQTSA-N 1 2 232.287 1.336 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C#N)C(C)C ZINC000492561654 529560436 /nfs/dbraw/zinc/56/04/36/529560436.db2.gz FNBQCWHBKLVGLY-GZTOBOFZSA-N 1 2 246.314 1.581 20 30 BDEDLO N#Cc1ccc(CNc2ccc(CO)c[nH+]2)o1 ZINC000356304299 187212204 /nfs/dbraw/zinc/21/22/04/187212204.db2.gz PIBFHRZLCWQWCM-UHFFFAOYSA-N 1 2 229.239 1.651 20 30 BDEDLO CC[N@H+](Cc1cn(C)nn1)CC1(CC#N)CC1 ZINC000602805846 349743741 /nfs/dbraw/zinc/74/37/41/349743741.db2.gz QSIKVHPDPNYLRI-UHFFFAOYSA-N 1 2 233.319 1.331 20 30 BDEDLO CC[N@@H+](Cc1cn(C)nn1)CC1(CC#N)CC1 ZINC000602805846 349743744 /nfs/dbraw/zinc/74/37/44/349743744.db2.gz QSIKVHPDPNYLRI-UHFFFAOYSA-N 1 2 233.319 1.331 20 30 BDEDLO COC(=O)C(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000602773584 349727159 /nfs/dbraw/zinc/72/71/59/349727159.db2.gz SLCRXKIHFHWKNS-UHFFFAOYSA-N 1 2 210.277 1.221 20 30 BDEDLO Cc1cc(C)c(CN2CCO[C@@H](C#N)C2)c(C)[nH+]1 ZINC000602775396 349728183 /nfs/dbraw/zinc/72/81/83/349728183.db2.gz LHWDNBZXZMWKSN-ZDUSSCGKSA-N 1 2 245.326 1.731 20 30 BDEDLO CC[N@H+](CCC#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602776297 349729249 /nfs/dbraw/zinc/72/92/49/349729249.db2.gz DAUDXCZRWFZNSL-LBPRGKRZSA-N 1 2 235.331 1.375 20 30 BDEDLO CC[N@@H+](CCC#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602776297 349729254 /nfs/dbraw/zinc/72/92/54/349729254.db2.gz DAUDXCZRWFZNSL-LBPRGKRZSA-N 1 2 235.331 1.375 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602776296 349729377 /nfs/dbraw/zinc/72/93/77/349729377.db2.gz DAUDXCZRWFZNSL-GFCCVEGCSA-N 1 2 235.331 1.375 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602776296 349729381 /nfs/dbraw/zinc/72/93/81/349729381.db2.gz DAUDXCZRWFZNSL-GFCCVEGCSA-N 1 2 235.331 1.375 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cscn1 ZINC000330318494 136263259 /nfs/dbraw/zinc/26/32/59/136263259.db2.gz QXWRFMOZJBWSFU-MRVPVSSYSA-N 1 2 248.311 1.659 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)CC1 ZINC000602880247 349791020 /nfs/dbraw/zinc/79/10/20/349791020.db2.gz KBBCXAJYKFCGJF-LLVKDONJSA-N 1 2 216.288 1.850 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)CC1 ZINC000602880247 349791023 /nfs/dbraw/zinc/79/10/23/349791023.db2.gz KBBCXAJYKFCGJF-LLVKDONJSA-N 1 2 216.288 1.850 20 30 BDEDLO COC(=O)C12CC(C1)C[N@@H+]2CC1(CC#N)CC1 ZINC000602881702 349791954 /nfs/dbraw/zinc/79/19/54/349791954.db2.gz GOXGYFASTAWORP-UHFFFAOYSA-N 1 2 234.299 1.318 20 30 BDEDLO COC(=O)C12CC(C1)C[N@H+]2CC1(CC#N)CC1 ZINC000602881702 349791956 /nfs/dbraw/zinc/79/19/56/349791956.db2.gz GOXGYFASTAWORP-UHFFFAOYSA-N 1 2 234.299 1.318 20 30 BDEDLO Cc1cc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)on1 ZINC000602850818 349785919 /nfs/dbraw/zinc/78/59/19/349785919.db2.gz SMCUDZCKCSBTJQ-TXEJJXNPSA-N 1 2 248.330 1.401 20 30 BDEDLO Cc1cc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)on1 ZINC000602850818 349785920 /nfs/dbraw/zinc/78/59/20/349785920.db2.gz SMCUDZCKCSBTJQ-TXEJJXNPSA-N 1 2 248.330 1.401 20 30 BDEDLO C[C@H](CC(=O)NC1(C#N)CCC1)n1cc[nH+]c1 ZINC000576827580 365696678 /nfs/dbraw/zinc/69/66/78/365696678.db2.gz VZPPOQZZAFXLLP-SNVBAGLBSA-N 1 2 232.287 1.397 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000602863559 349795992 /nfs/dbraw/zinc/79/59/92/349795992.db2.gz OGXDTONBSLHSHX-SNVBAGLBSA-N 1 2 235.287 1.130 20 30 BDEDLO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602864342 349796267 /nfs/dbraw/zinc/79/62/67/349796267.db2.gz RECDWGSJEYXBFJ-NXEZZACHSA-N 1 2 211.309 1.039 20 30 BDEDLO CCN(C(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602864601 349796920 /nfs/dbraw/zinc/79/69/20/349796920.db2.gz SCCYCNFDPVPPHI-LBPRGKRZSA-N 1 2 245.326 1.931 20 30 BDEDLO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602864351 349796545 /nfs/dbraw/zinc/79/65/45/349796545.db2.gz RECDWGSJEYXBFJ-ZJUUUORDSA-N 1 2 211.309 1.039 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1cc(F)ccc1F ZINC000267670516 187235745 /nfs/dbraw/zinc/23/57/45/187235745.db2.gz OPRPDVUBYZWBFH-CQSZACIVSA-N 1 2 249.260 1.567 20 30 BDEDLO C#CC[N@@H+](CC)Cc1c(C)nc2sc(C)nn12 ZINC000271164459 187236484 /nfs/dbraw/zinc/23/64/84/187236484.db2.gz YWOBJHKKNPGQJG-UHFFFAOYSA-N 1 2 248.355 1.863 20 30 BDEDLO C#CC[N@H+](CC)Cc1c(C)nc2sc(C)nn12 ZINC000271164459 187236485 /nfs/dbraw/zinc/23/64/85/187236485.db2.gz YWOBJHKKNPGQJG-UHFFFAOYSA-N 1 2 248.355 1.863 20 30 BDEDLO C#CC[N@@H+](Cc1cc(OC)cc(C)n1)C1CC1 ZINC000274014136 187237398 /nfs/dbraw/zinc/23/73/98/187237398.db2.gz BAJLWLYMZFXTJF-UHFFFAOYSA-N 1 2 230.311 1.996 20 30 BDEDLO C#CC[N@H+](Cc1cc(OC)cc(C)n1)C1CC1 ZINC000274014136 187237401 /nfs/dbraw/zinc/23/74/01/187237401.db2.gz BAJLWLYMZFXTJF-UHFFFAOYSA-N 1 2 230.311 1.996 20 30 BDEDLO C=C(C)CC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000274784658 187237832 /nfs/dbraw/zinc/23/78/32/187237832.db2.gz LSONPAGKPASFIM-UHFFFAOYSA-N 1 2 248.330 1.035 20 30 BDEDLO C=C(C)CC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000274784658 187237834 /nfs/dbraw/zinc/23/78/34/187237834.db2.gz LSONPAGKPASFIM-UHFFFAOYSA-N 1 2 248.330 1.035 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602865821 349798002 /nfs/dbraw/zinc/79/80/02/349798002.db2.gz ZJDRBLSLPXTCJX-HBNTYKKESA-N 1 2 225.336 1.571 20 30 BDEDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC#N)cn1 ZINC000602869990 349800883 /nfs/dbraw/zinc/80/08/83/349800883.db2.gz JSIIMIWWWCHZQX-PSASIEDQSA-N 1 2 204.277 1.738 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccccc1 ZINC000602871263 349802408 /nfs/dbraw/zinc/80/24/08/349802408.db2.gz PIZXCZRXXURDFN-VXGBXAGGSA-N 1 2 245.326 1.756 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2NCC1(CC#N)CC1 ZINC000337945831 136279222 /nfs/dbraw/zinc/27/92/22/136279222.db2.gz MTJOASKEUUGAHX-UHFFFAOYSA-N 1 2 242.286 1.469 20 30 BDEDLO C[N@H+](Cc1ccon1)[C@H]1CC[C@@H](C#N)C1 ZINC000293093244 136289364 /nfs/dbraw/zinc/28/93/64/136289364.db2.gz NIOXVAXIJWJEGK-KOLCDFICSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccon1)[C@H]1CC[C@@H](C#N)C1 ZINC000293093244 136289365 /nfs/dbraw/zinc/28/93/65/136289365.db2.gz NIOXVAXIJWJEGK-KOLCDFICSA-N 1 2 205.261 1.799 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)C1(C#N)CCC1 ZINC000294483892 136290224 /nfs/dbraw/zinc/29/02/24/136290224.db2.gz JIQWNHRTMIHAAY-UHFFFAOYSA-N 1 2 245.282 1.400 20 30 BDEDLO COc1ccc(C[N@H+](CCC#N)CC2CC2)nn1 ZINC000283315426 136286493 /nfs/dbraw/zinc/28/64/93/136286493.db2.gz ZFWCGGMYDLRHOA-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO COc1ccc(C[N@@H+](CCC#N)CC2CC2)nn1 ZINC000283315426 136286494 /nfs/dbraw/zinc/28/64/94/136286494.db2.gz ZFWCGGMYDLRHOA-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO N#CC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC000609167527 343324333 /nfs/dbraw/zinc/32/43/33/343324333.db2.gz BEKIQOWOAADQBY-UHFFFAOYSA-N 1 2 232.287 1.226 20 30 BDEDLO CC(C)[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609168551 343324860 /nfs/dbraw/zinc/32/48/60/343324860.db2.gz AIVSFFUREGBTQI-CYBMUJFWSA-N 1 2 248.330 1.718 20 30 BDEDLO C=CCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428010357 259357461 /nfs/dbraw/zinc/35/74/61/259357461.db2.gz LLEQRKGQPKJKGS-NSHDSACASA-N 1 2 233.315 1.670 20 30 BDEDLO CN1CCN(CC2(C#N)CC2)c2ccc[nH+]c21 ZINC000348954911 136310364 /nfs/dbraw/zinc/31/03/64/136310364.db2.gz GWSGBJLCPJQMRA-UHFFFAOYSA-N 1 2 228.299 1.642 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCCC2CCC2)nn1 ZINC000641089359 362213896 /nfs/dbraw/zinc/21/38/96/362213896.db2.gz URAHSRCPWWLFMP-UHFFFAOYSA-N 1 2 246.358 1.971 20 30 BDEDLO C[C@](O)(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329386424 136365461 /nfs/dbraw/zinc/36/54/61/136365461.db2.gz PRSCMTAICGHRCP-NOZJJQNGSA-N 1 2 249.314 1.385 20 30 BDEDLO C[C@](O)(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329386424 136365462 /nfs/dbraw/zinc/36/54/62/136365462.db2.gz PRSCMTAICGHRCP-NOZJJQNGSA-N 1 2 249.314 1.385 20 30 BDEDLO C=C(Br)C[N@H+](C)CCn1cccn1 ZINC000111695490 136372488 /nfs/dbraw/zinc/37/24/88/136372488.db2.gz GLNBUZMWPUYGNP-UHFFFAOYSA-N 1 2 244.136 1.724 20 30 BDEDLO C=C(Br)C[N@@H+](C)CCn1cccn1 ZINC000111695490 136372489 /nfs/dbraw/zinc/37/24/89/136372489.db2.gz GLNBUZMWPUYGNP-UHFFFAOYSA-N 1 2 244.136 1.724 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccnc(C#N)n1 ZINC000310541879 343528392 /nfs/dbraw/zinc/52/83/92/343528392.db2.gz RDEIRVZYZHARJV-SECBINFHSA-N 1 2 228.259 1.045 20 30 BDEDLO C[N@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCC[C@@H]1C#N ZINC000602977967 349842358 /nfs/dbraw/zinc/84/23/58/349842358.db2.gz JHRUXHQFDBFKSN-MWLCHTKSSA-N 1 2 248.282 1.469 20 30 BDEDLO C[N@@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCC[C@@H]1C#N ZINC000602977967 349842360 /nfs/dbraw/zinc/84/23/60/349842360.db2.gz JHRUXHQFDBFKSN-MWLCHTKSSA-N 1 2 248.282 1.469 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974921 349839274 /nfs/dbraw/zinc/83/92/74/349839274.db2.gz VWBDXDAJEAITED-QJPTWQEYSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974921 349839276 /nfs/dbraw/zinc/83/92/76/349839276.db2.gz VWBDXDAJEAITED-QJPTWQEYSA-N 1 2 237.347 1.525 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCc1ccc(C)nc1 ZINC000491654457 259368831 /nfs/dbraw/zinc/36/88/31/259368831.db2.gz AEHSHOXDOYVBHX-OAHLLOKOSA-N 1 2 244.338 1.657 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000491654457 259368832 /nfs/dbraw/zinc/36/88/32/259368832.db2.gz AEHSHOXDOYVBHX-OAHLLOKOSA-N 1 2 244.338 1.657 20 30 BDEDLO C[N@H+](Cc1ccnc(N)c1)[C@H]1CCC[C@H]1C#N ZINC000602980463 349845231 /nfs/dbraw/zinc/84/52/31/349845231.db2.gz QIESMORPVILAIW-RYUDHWBXSA-N 1 2 230.315 1.618 20 30 BDEDLO C[N@@H+](Cc1ccnc(N)c1)[C@H]1CCC[C@H]1C#N ZINC000602980463 349845234 /nfs/dbraw/zinc/84/52/34/349845234.db2.gz QIESMORPVILAIW-RYUDHWBXSA-N 1 2 230.315 1.618 20 30 BDEDLO Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602980781 349846414 /nfs/dbraw/zinc/84/64/14/349846414.db2.gz VNKDAWNDCJEOHS-OLZOCXBDSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1ncc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602980781 349846415 /nfs/dbraw/zinc/84/64/15/349846415.db2.gz VNKDAWNDCJEOHS-OLZOCXBDSA-N 1 2 230.315 1.909 20 30 BDEDLO C=CCC(CC=C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000584175923 343769135 /nfs/dbraw/zinc/76/91/35/343769135.db2.gz PTFHBZIKZQRVEA-AWEZNQCLSA-N 1 2 249.358 1.715 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000165575210 343921214 /nfs/dbraw/zinc/92/12/14/343921214.db2.gz IHZAVDCUILBOFQ-LLVKDONJSA-N 1 2 232.331 1.882 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000165575210 343921217 /nfs/dbraw/zinc/92/12/17/343921217.db2.gz IHZAVDCUILBOFQ-LLVKDONJSA-N 1 2 232.331 1.882 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625726005 344058017 /nfs/dbraw/zinc/05/80/17/344058017.db2.gz USPSFCZAHFRCAO-SNVBAGLBSA-N 1 2 246.310 1.399 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625726005 344058018 /nfs/dbraw/zinc/05/80/18/344058018.db2.gz USPSFCZAHFRCAO-SNVBAGLBSA-N 1 2 246.310 1.399 20 30 BDEDLO COCC#CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727916 344059092 /nfs/dbraw/zinc/05/90/92/344059092.db2.gz QVEQSGWDYPHGDQ-UHFFFAOYSA-N 1 2 217.268 1.358 20 30 BDEDLO COCC#CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727916 344059094 /nfs/dbraw/zinc/05/90/94/344059094.db2.gz QVEQSGWDYPHGDQ-UHFFFAOYSA-N 1 2 217.268 1.358 20 30 BDEDLO C=C[C@H]([NH2+]CCC(C)(C)C=C)C(=O)OC ZINC000600602469 344338059 /nfs/dbraw/zinc/33/80/59/344338059.db2.gz QWBUFXALOFXWFJ-JTQLQIEISA-N 1 2 211.305 1.906 20 30 BDEDLO C#CCN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000105813803 344470723 /nfs/dbraw/zinc/47/07/23/344470723.db2.gz LHRNDPCMISDITA-UHFFFAOYSA-N 1 2 235.356 1.202 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)C(=O)OC ZINC000381475090 344510307 /nfs/dbraw/zinc/51/03/07/344510307.db2.gz QFSCLJLUXPZDTL-VWYCJHECSA-N 1 2 227.304 1.119 20 30 BDEDLO NC(=[NH+]OCCO)c1cccc(C(F)(F)F)c1 ZINC000111997635 344610675 /nfs/dbraw/zinc/61/06/75/344610675.db2.gz FZRCSIFJBINFAK-UHFFFAOYSA-N 1 2 248.204 1.335 20 30 BDEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000181589803 347065450 /nfs/dbraw/zinc/06/54/50/347065450.db2.gz GXTVHOBRMBSMMB-VIFPVBQESA-N 1 2 240.278 1.806 20 30 BDEDLO CO[C@@H](C)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000181593141 347065513 /nfs/dbraw/zinc/06/55/13/347065513.db2.gz NJBCSDUNQWGCLS-ZETCQYMHSA-N 1 2 243.332 1.318 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](O)c1ccccc1Cl ZINC000076185551 344799279 /nfs/dbraw/zinc/79/92/79/344799279.db2.gz OHHMYEUWEZFBIV-AWEZNQCLSA-N 1 2 247.725 1.942 20 30 BDEDLO C[C@@H](Nc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000135602438 344781823 /nfs/dbraw/zinc/78/18/23/344781823.db2.gz CZWNQQXPUFRHSX-MRVPVSSYSA-N 1 2 213.244 1.849 20 30 BDEDLO C#CC[NH+](CC#C)CC[S@@](=O)c1ccccc1 ZINC000076185842 344799884 /nfs/dbraw/zinc/79/98/84/344799884.db2.gz XUSGVSMQSYNBQV-KRWDZBQOSA-N 1 2 245.347 1.363 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237574055 344856797 /nfs/dbraw/zinc/85/67/97/344856797.db2.gz FBRCAYZSSQVBKZ-VIFPVBQESA-N 1 2 235.287 1.584 20 30 BDEDLO C#CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121472471 344926177 /nfs/dbraw/zinc/92/61/77/344926177.db2.gz ICKKCFIOGJAOGC-HNNXBMFYSA-N 1 2 239.322 1.502 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000070078905 345339144 /nfs/dbraw/zinc/33/91/44/345339144.db2.gz YXBUNTILKFXPSY-JTQLQIEISA-N 1 2 214.272 1.545 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000070078905 345339147 /nfs/dbraw/zinc/33/91/47/345339147.db2.gz YXBUNTILKFXPSY-JTQLQIEISA-N 1 2 214.272 1.545 20 30 BDEDLO Cc1cc(N2CC[C@H](CCCO)C2)c(C#N)c[nH+]1 ZINC000425270739 192087507 /nfs/dbraw/zinc/08/75/07/192087507.db2.gz UEECNXOKUGZWMH-LBPRGKRZSA-N 1 2 245.326 1.861 20 30 BDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC#N)[C@@H]2C1 ZINC000158466587 345329179 /nfs/dbraw/zinc/32/91/79/345329179.db2.gz RTOKSNBREQAJLX-IJLUTSLNSA-N 1 2 224.304 1.168 20 30 BDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCC#N)[C@@H]2C1 ZINC000158466587 345329183 /nfs/dbraw/zinc/32/91/83/345329183.db2.gz RTOKSNBREQAJLX-IJLUTSLNSA-N 1 2 224.304 1.168 20 30 BDEDLO Cc1nc(NCC2CCN(CC#N)CC2)cc[nH+]1 ZINC000151634887 345396818 /nfs/dbraw/zinc/39/68/18/345396818.db2.gz KAMDUHIKWIQKKR-UHFFFAOYSA-N 1 2 245.330 1.433 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N(C)Cc1[nH+]ccn1C ZINC000136246181 345492486 /nfs/dbraw/zinc/49/24/86/345492486.db2.gz LFPPCHANJMQNOI-LBPRGKRZSA-N 1 2 234.303 1.318 20 30 BDEDLO CC(=O)NC[C@H]1CCC[N@@H+](C(C)(C)C#N)C1 ZINC000160715670 345507339 /nfs/dbraw/zinc/50/73/39/345507339.db2.gz MWZDKAXQXHTPIJ-LLVKDONJSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(=O)NC[C@H]1CCC[N@H+](C(C)(C)C#N)C1 ZINC000160715670 345507357 /nfs/dbraw/zinc/50/73/57/345507357.db2.gz MWZDKAXQXHTPIJ-LLVKDONJSA-N 1 2 223.320 1.137 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnn(C(C)C)c1 ZINC000179738130 187307822 /nfs/dbraw/zinc/30/78/22/187307822.db2.gz FWRDERRUYGCHKF-UHFFFAOYSA-N 1 2 215.300 1.532 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363524281 345760221 /nfs/dbraw/zinc/76/02/21/345760221.db2.gz GJYVTVGMRUULRK-LBPRGKRZSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363524281 345760225 /nfs/dbraw/zinc/76/02/25/345760225.db2.gz GJYVTVGMRUULRK-LBPRGKRZSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCOCC1 ZINC000363528005 345764089 /nfs/dbraw/zinc/76/40/89/345764089.db2.gz NVXVMSUYWJGPTO-LLVKDONJSA-N 1 2 207.277 1.152 20 30 BDEDLO N#CCC[C@H](C#N)C[N@H+]1CCCOCC1 ZINC000363528005 345764092 /nfs/dbraw/zinc/76/40/92/345764092.db2.gz NVXVMSUYWJGPTO-LLVKDONJSA-N 1 2 207.277 1.152 20 30 BDEDLO COCC#CC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626152691 345782827 /nfs/dbraw/zinc/78/28/27/345782827.db2.gz BHSBRNWQINGYIA-UHFFFAOYSA-N 1 2 249.285 1.670 20 30 BDEDLO COCC#CC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626152691 345782829 /nfs/dbraw/zinc/78/28/29/345782829.db2.gz BHSBRNWQINGYIA-UHFFFAOYSA-N 1 2 249.285 1.670 20 30 BDEDLO C#C[C@@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287940148 133567446 /nfs/dbraw/zinc/56/74/46/133567446.db2.gz RCNVEWVCZKSGCJ-SECBINFHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000143202769 345865399 /nfs/dbraw/zinc/86/53/99/345865399.db2.gz BNEDMRUCJLOPQP-UHFFFAOYSA-N 1 2 236.265 1.720 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051397 346179061 /nfs/dbraw/zinc/17/90/61/346179061.db2.gz MXOQCVHYNNOXTN-ZWNOBZJWSA-N 1 2 246.314 1.254 20 30 BDEDLO CC(C)(CC#N)CNc1cc[nH+]cc1F ZINC000603396636 349945511 /nfs/dbraw/zinc/94/55/11/349945511.db2.gz SJIBDAVMIQRILZ-UHFFFAOYSA-N 1 2 207.252 1.994 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000636251418 346368599 /nfs/dbraw/zinc/36/85/99/346368599.db2.gz HASYNDSPUNNLNP-LLVKDONJSA-N 1 2 247.342 1.939 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000170806793 346453234 /nfs/dbraw/zinc/45/32/34/346453234.db2.gz RFFWGYVTPGAJNT-SNVBAGLBSA-N 1 2 231.299 1.519 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000170806793 346453236 /nfs/dbraw/zinc/45/32/36/346453236.db2.gz RFFWGYVTPGAJNT-SNVBAGLBSA-N 1 2 231.299 1.519 20 30 BDEDLO N#CCCCCCC(=O)NCCCn1cc[nH+]c1 ZINC000588251642 346650792 /nfs/dbraw/zinc/65/07/92/346650792.db2.gz WXPGSFSXZPEWRD-UHFFFAOYSA-N 1 2 248.330 1.863 20 30 BDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000589206120 346675862 /nfs/dbraw/zinc/67/58/62/346675862.db2.gz IURMEFIZZAOWGO-VIFPVBQESA-N 1 2 249.339 1.330 20 30 BDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000589206120 346675863 /nfs/dbraw/zinc/67/58/63/346675863.db2.gz IURMEFIZZAOWGO-VIFPVBQESA-N 1 2 249.339 1.330 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(SC)CC1 ZINC000301050950 346760900 /nfs/dbraw/zinc/76/09/00/346760900.db2.gz SYAITXANQCXZDP-SNVBAGLBSA-N 1 2 229.345 1.541 20 30 BDEDLO N#CCCOCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000590154457 346781296 /nfs/dbraw/zinc/78/12/96/346781296.db2.gz ANCVLIQGDRUEAT-LBPRGKRZSA-N 1 2 248.330 1.519 20 30 BDEDLO N#CCCOCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000590154457 346781300 /nfs/dbraw/zinc/78/13/00/346781300.db2.gz ANCVLIQGDRUEAT-LBPRGKRZSA-N 1 2 248.330 1.519 20 30 BDEDLO N#Cc1csc(C[NH+]2CC(C3CC3)C2)n1 ZINC000589736748 346734473 /nfs/dbraw/zinc/73/44/73/346734473.db2.gz GJVHOXNXIFAUQZ-UHFFFAOYSA-N 1 2 219.313 1.857 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccccc1 ZINC000589826969 346741735 /nfs/dbraw/zinc/74/17/35/346741735.db2.gz NVGJLWHOZUYDRH-ZDUSSCGKSA-N 1 2 231.299 1.260 20 30 BDEDLO COC(=O)[C@H]([NH2+]CCOCCC#N)C(C)(C)C ZINC000590167632 346786504 /nfs/dbraw/zinc/78/65/04/346786504.db2.gz CWWBINSGNMXCDG-JTQLQIEISA-N 1 2 242.319 1.094 20 30 BDEDLO Cc1[nH]c2ccc(NC(=O)CC#N)cc2[nH+]1 ZINC000082275189 347324841 /nfs/dbraw/zinc/32/48/41/347324841.db2.gz XFVONADMAOJQJY-UHFFFAOYSA-N 1 2 214.228 1.724 20 30 BDEDLO C[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000192988612 347387611 /nfs/dbraw/zinc/38/76/11/347387611.db2.gz IXHZDZFKXVJHMK-NSHDSACASA-N 1 2 219.288 1.178 20 30 BDEDLO C[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000192988612 347387612 /nfs/dbraw/zinc/38/76/12/347387612.db2.gz IXHZDZFKXVJHMK-NSHDSACASA-N 1 2 219.288 1.178 20 30 BDEDLO Cc1ncccc1O[C@H]1CC[N@H+](CCC#N)C1 ZINC000364587474 347462810 /nfs/dbraw/zinc/46/28/10/347462810.db2.gz CZFAJTOMDTUGTL-LBPRGKRZSA-N 1 2 231.299 1.757 20 30 BDEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CCC#N)C1 ZINC000364587474 347462818 /nfs/dbraw/zinc/46/28/18/347462818.db2.gz CZFAJTOMDTUGTL-LBPRGKRZSA-N 1 2 231.299 1.757 20 30 BDEDLO N#CCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000364938917 347601314 /nfs/dbraw/zinc/60/13/14/347601314.db2.gz LIIVCDSUCULZHE-UHFFFAOYSA-N 1 2 230.315 1.507 20 30 BDEDLO N#CCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000364938917 347601317 /nfs/dbraw/zinc/60/13/17/347601317.db2.gz LIIVCDSUCULZHE-UHFFFAOYSA-N 1 2 230.315 1.507 20 30 BDEDLO N#CCC[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000591756313 347690907 /nfs/dbraw/zinc/69/09/07/347690907.db2.gz YOXFOTOQERQNDH-LBPRGKRZSA-N 1 2 235.331 1.423 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@@H](CO)CC2)c(C#N)c[nH+]1 ZINC000591821521 347701306 /nfs/dbraw/zinc/70/13/06/347701306.db2.gz AGGMLMHPNDBQNQ-BJHJDKERSA-N 1 2 245.326 1.647 20 30 BDEDLO C[C@@H](O)[C@@H]([NH2+]CCC#N)c1ccccc1F ZINC000592431188 347777614 /nfs/dbraw/zinc/77/76/14/347777614.db2.gz WOXWGXFVSBNNHW-BXKDBHETSA-N 1 2 222.263 1.751 20 30 BDEDLO CCOCC[N@H+](CC)Cc1ccncc1C#N ZINC000592070886 347727480 /nfs/dbraw/zinc/72/74/80/347727480.db2.gz TVYSUWDMUOOEIG-UHFFFAOYSA-N 1 2 233.315 1.812 20 30 BDEDLO CCOCC[N@@H+](CC)Cc1ccncc1C#N ZINC000592070886 347727483 /nfs/dbraw/zinc/72/74/83/347727483.db2.gz TVYSUWDMUOOEIG-UHFFFAOYSA-N 1 2 233.315 1.812 20 30 BDEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cnn(C)c1 ZINC000592104778 347734026 /nfs/dbraw/zinc/73/40/26/347734026.db2.gz WAXCJWFFJFTEOA-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO CC#CC[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC ZINC000119976256 347743231 /nfs/dbraw/zinc/74/32/31/347743231.db2.gz NFCUVKLXSQRRAG-NSHDSACASA-N 1 2 231.361 1.155 20 30 BDEDLO CC#CC[N@H+](CC)[C@@H](C)CS(=O)(=O)CC ZINC000119976256 347743232 /nfs/dbraw/zinc/74/32/32/347743232.db2.gz NFCUVKLXSQRRAG-NSHDSACASA-N 1 2 231.361 1.155 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OCC ZINC000592514834 347793206 /nfs/dbraw/zinc/79/32/06/347793206.db2.gz CSOXSNATXPGUMH-SRVKXCTJSA-N 1 2 241.331 1.651 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC12CCC2 ZINC000593154222 347865973 /nfs/dbraw/zinc/86/59/73/347865973.db2.gz ASGVCNNHBVFBQK-JQWIXIFHSA-N 1 2 235.331 1.137 20 30 BDEDLO C[C@@H](CCO)[N@H+](C)Cc1nc(C#N)cs1 ZINC000593108465 347860498 /nfs/dbraw/zinc/86/04/98/347860498.db2.gz PWWBELKGIKZQDW-QMMMGPOBSA-N 1 2 225.317 1.217 20 30 BDEDLO C[C@@H](CCO)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000593108465 347860501 /nfs/dbraw/zinc/86/05/01/347860501.db2.gz PWWBELKGIKZQDW-QMMMGPOBSA-N 1 2 225.317 1.217 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593110553 347861118 /nfs/dbraw/zinc/86/11/18/347861118.db2.gz AOXDCDFEWUQNPP-NEPJUHHUSA-N 1 2 248.330 1.889 20 30 BDEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](COC)C(=O)OC)C1 ZINC000593625953 347917482 /nfs/dbraw/zinc/91/74/82/347917482.db2.gz QXIQHIOTVFLRFK-IJLUTSLNSA-N 1 2 241.331 1.509 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccncc1C#N ZINC000594008587 347985133 /nfs/dbraw/zinc/98/51/33/347985133.db2.gz SKPVDALREZUTBE-LBPRGKRZSA-N 1 2 214.272 1.735 20 30 BDEDLO Cc1[nH]nc(NCc2[nH+]ccn2C(C)C)c1C#N ZINC000594947198 348146137 /nfs/dbraw/zinc/14/61/37/348146137.db2.gz XHYXQIIEBROSGB-UHFFFAOYSA-N 1 2 244.302 1.401 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595302953 348212314 /nfs/dbraw/zinc/21/23/14/348212314.db2.gz XYMPZASUWHJCQB-YVECIDJPSA-N 1 2 249.358 1.525 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595302953 348212316 /nfs/dbraw/zinc/21/23/16/348212316.db2.gz XYMPZASUWHJCQB-YVECIDJPSA-N 1 2 249.358 1.525 20 30 BDEDLO CC(C)(C#N)CCN1CCn2c[nH+]cc2C1 ZINC000595490461 348262288 /nfs/dbraw/zinc/26/22/88/348262288.db2.gz LZHGQGXJYRUILY-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CC(C)(C#N)CC[N@@H+]1CCn2cncc2C1 ZINC000595490461 348262289 /nfs/dbraw/zinc/26/22/89/348262289.db2.gz LZHGQGXJYRUILY-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CC(C)(C#N)CC[N@H+]1CCn2cncc2C1 ZINC000595490461 348262292 /nfs/dbraw/zinc/26/22/92/348262292.db2.gz LZHGQGXJYRUILY-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CCN1CC[C@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595422546 348245327 /nfs/dbraw/zinc/24/53/27/348245327.db2.gz APFDAKOIGRWEGU-AAEUAGOBSA-N 1 2 235.331 1.233 20 30 BDEDLO CCN1CC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595422546 348245329 /nfs/dbraw/zinc/24/53/29/348245329.db2.gz APFDAKOIGRWEGU-AAEUAGOBSA-N 1 2 235.331 1.233 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595333043 348229147 /nfs/dbraw/zinc/22/91/47/348229147.db2.gz MNOWOFOVJPKZIB-JHJVBQTASA-N 1 2 249.358 1.669 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595333043 348229149 /nfs/dbraw/zinc/22/91/49/348229149.db2.gz MNOWOFOVJPKZIB-JHJVBQTASA-N 1 2 249.358 1.669 20 30 BDEDLO C=CC[N@@H+](CCC#N)[C@H]1COC(C)(C)C1 ZINC000595501154 348263828 /nfs/dbraw/zinc/26/38/28/348263828.db2.gz IVQOWUZHOPUFCE-LLVKDONJSA-N 1 2 208.305 1.956 20 30 BDEDLO C=CC[N@H+](CCC#N)[C@H]1COC(C)(C)C1 ZINC000595501154 348263831 /nfs/dbraw/zinc/26/38/31/348263831.db2.gz IVQOWUZHOPUFCE-LLVKDONJSA-N 1 2 208.305 1.956 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)[C@@H]1CCOC1 ZINC000595503030 348263875 /nfs/dbraw/zinc/26/38/75/348263875.db2.gz ZABDKHNENBLSON-OLZOCXBDSA-N 1 2 238.331 1.440 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](OC)[C@@H]1CCOC1 ZINC000595503030 348263876 /nfs/dbraw/zinc/26/38/76/348263876.db2.gz ZABDKHNENBLSON-OLZOCXBDSA-N 1 2 238.331 1.440 20 30 BDEDLO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000595593327 348278736 /nfs/dbraw/zinc/27/87/36/348278736.db2.gz VCPWTDRCQYJXSU-GXSJLCMTSA-N 1 2 204.277 1.534 20 30 BDEDLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595622376 348291151 /nfs/dbraw/zinc/29/11/51/348291151.db2.gz AAXJJGVLFPKBJH-KOLCDFICSA-N 1 2 233.319 1.800 20 30 BDEDLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595622376 348291154 /nfs/dbraw/zinc/29/11/54/348291154.db2.gz AAXJJGVLFPKBJH-KOLCDFICSA-N 1 2 233.319 1.800 20 30 BDEDLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595622386 348291279 /nfs/dbraw/zinc/29/12/79/348291279.db2.gz AAXJJGVLFPKBJH-ONGXEEELSA-N 1 2 233.319 1.800 20 30 BDEDLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595622386 348291280 /nfs/dbraw/zinc/29/12/80/348291280.db2.gz AAXJJGVLFPKBJH-ONGXEEELSA-N 1 2 233.319 1.800 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@H]1CCCOC1)C1CC1 ZINC000595720853 348327619 /nfs/dbraw/zinc/32/76/19/348327619.db2.gz MPUDGVVRNAZTOF-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@H]1CCCOC1)C1CC1 ZINC000595720853 348327622 /nfs/dbraw/zinc/32/76/22/348327622.db2.gz MPUDGVVRNAZTOF-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595768833 348335563 /nfs/dbraw/zinc/33/55/63/348335563.db2.gz GXGPDRAJLOTGHG-SNVBAGLBSA-N 1 2 203.257 1.443 20 30 BDEDLO COC(=O)[C@@](C)(CCF)[NH2+]CCCCC#N ZINC000595769713 348335758 /nfs/dbraw/zinc/33/57/58/348335758.db2.gz OSVVEKKAEOIZAT-LLVKDONJSA-N 1 2 230.283 1.561 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781005 348344207 /nfs/dbraw/zinc/34/42/07/348344207.db2.gz OSKHODXXHDWBCH-VWYCJHECSA-N 1 2 227.304 1.213 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781005 348344211 /nfs/dbraw/zinc/34/42/11/348344211.db2.gz OSKHODXXHDWBCH-VWYCJHECSA-N 1 2 227.304 1.213 20 30 BDEDLO CC[N@H+](C[C@H](OC)[C@H]1CCOC1)[C@@H](C)C#N ZINC000595817176 348344351 /nfs/dbraw/zinc/34/43/51/348344351.db2.gz HOICVGQYADHOFK-SRVKXCTJSA-N 1 2 226.320 1.272 20 30 BDEDLO CC[N@@H+](C[C@H](OC)[C@H]1CCOC1)[C@@H](C)C#N ZINC000595817176 348344352 /nfs/dbraw/zinc/34/43/52/348344352.db2.gz HOICVGQYADHOFK-SRVKXCTJSA-N 1 2 226.320 1.272 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833245 348367483 /nfs/dbraw/zinc/36/74/83/348367483.db2.gz BQVQKWUQPARLCN-PWSUYJOCSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833245 348367486 /nfs/dbraw/zinc/36/74/86/348367486.db2.gz BQVQKWUQPARLCN-PWSUYJOCSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834988 348367982 /nfs/dbraw/zinc/36/79/82/348367982.db2.gz ODYLZFNDYLTVNZ-DMDPSCGWSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834988 348367984 /nfs/dbraw/zinc/36/79/84/348367984.db2.gz ODYLZFNDYLTVNZ-DMDPSCGWSA-N 1 2 237.347 1.525 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836372 348369993 /nfs/dbraw/zinc/36/99/93/348369993.db2.gz YRVBNMGIYNWTAC-YPMHNXCESA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836372 348369998 /nfs/dbraw/zinc/36/99/98/348369998.db2.gz YRVBNMGIYNWTAC-YPMHNXCESA-N 1 2 237.347 1.527 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595838033 348371737 /nfs/dbraw/zinc/37/17/37/348371737.db2.gz PNJYFQRETBKZFJ-NSHDSACASA-N 1 2 249.274 1.027 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595838033 348371739 /nfs/dbraw/zinc/37/17/39/348371739.db2.gz PNJYFQRETBKZFJ-NSHDSACASA-N 1 2 249.274 1.027 20 30 BDEDLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840992 348374946 /nfs/dbraw/zinc/37/49/46/348374946.db2.gz SQWYUGYVMLSIRQ-WCQYABFASA-N 1 2 238.331 1.954 20 30 BDEDLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840992 348374949 /nfs/dbraw/zinc/37/49/49/348374949.db2.gz SQWYUGYVMLSIRQ-WCQYABFASA-N 1 2 238.331 1.954 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000595843820 348381378 /nfs/dbraw/zinc/38/13/78/348381378.db2.gz NSSNICOTDJQFEZ-HTQZYQBOSA-N 1 2 222.210 1.145 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000595843820 348381382 /nfs/dbraw/zinc/38/13/82/348381382.db2.gz NSSNICOTDJQFEZ-HTQZYQBOSA-N 1 2 222.210 1.145 20 30 BDEDLO Cn1c[nH+]c(CN2CC[C@](C)(C#N)C2)c1 ZINC000595844984 348354197 /nfs/dbraw/zinc/35/41/97/348354197.db2.gz WXRAVPMQLNUORV-LLVKDONJSA-N 1 2 204.277 1.156 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)s1 ZINC000595886324 348389236 /nfs/dbraw/zinc/38/92/36/348389236.db2.gz UTFKVFZZBXMAKW-VHSXEESVSA-N 1 2 236.344 1.971 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)s1 ZINC000595886324 348389237 /nfs/dbraw/zinc/38/92/37/348389237.db2.gz UTFKVFZZBXMAKW-VHSXEESVSA-N 1 2 236.344 1.971 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)C(=O)OC ZINC000596051905 348433558 /nfs/dbraw/zinc/43/35/58/348433558.db2.gz QZIXWBCUAXFJBJ-NXEZZACHSA-N 1 2 227.304 1.119 20 30 BDEDLO C[C@@H](O)[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000596066483 348436534 /nfs/dbraw/zinc/43/65/34/348436534.db2.gz DUNWHSJRJPIKGG-PWSUYJOCSA-N 1 2 204.273 1.612 20 30 BDEDLO C[C@H](O)[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000596066479 348436947 /nfs/dbraw/zinc/43/69/47/348436947.db2.gz DUNWHSJRJPIKGG-CMPLNLGQSA-N 1 2 204.273 1.612 20 30 BDEDLO Cc1ccc(C#N)nc1N[C@H](C)Cn1cc[nH+]c1 ZINC000596077858 348438731 /nfs/dbraw/zinc/43/87/31/348438731.db2.gz CLZBKFXXVXJWCI-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO COC(=O)Cc1cc[nH+]c(NCCCCC#N)c1 ZINC000596107245 348441192 /nfs/dbraw/zinc/44/11/92/348441192.db2.gz LDMXTTVFFJGZKV-UHFFFAOYSA-N 1 2 247.298 1.325 20 30 BDEDLO Cc1nc(N2CCC[C@H](CC#N)C2)cc[nH+]1 ZINC000596330836 348509892 /nfs/dbraw/zinc/50/98/92/348509892.db2.gz OFXBVOZLIQTHCM-LLVKDONJSA-N 1 2 216.288 1.915 20 30 BDEDLO C[C@H](Nc1ncccc1C#N)c1[nH+]ccn1C ZINC000596543897 348584323 /nfs/dbraw/zinc/58/43/23/348584323.db2.gz PBUHCCZGUIUCHP-VIFPVBQESA-N 1 2 227.271 1.860 20 30 BDEDLO CCOc1cccc(C[NH+]2CC(CC#N)C2)n1 ZINC000597193982 348671264 /nfs/dbraw/zinc/67/12/64/348671264.db2.gz LVALORKFSOLAAA-UHFFFAOYSA-N 1 2 231.299 1.826 20 30 BDEDLO COCCN(CC#N)Cc1[nH+]ccn1C(C)C ZINC000597147269 348664392 /nfs/dbraw/zinc/66/43/92/348664392.db2.gz ULCDURVJMSPORV-UHFFFAOYSA-N 1 2 236.319 1.436 20 30 BDEDLO Cc1ccc2[nH+]c(CN3CC(CC#N)C3)cn2c1 ZINC000597202732 348676468 /nfs/dbraw/zinc/67/64/68/348676468.db2.gz BESLNIBWWPRGTH-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO Cc1cc(NC(=O)[C@@H](C)CC#N)cc[nH+]1 ZINC000597216165 348690412 /nfs/dbraw/zinc/69/04/12/348690412.db2.gz SKWAALAFSWRPPB-QMMMGPOBSA-N 1 2 203.245 1.300 20 30 BDEDLO CC1CC(C#N)(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000597865072 348831708 /nfs/dbraw/zinc/83/17/08/348831708.db2.gz RGBAZNJCTPUDLL-UHFFFAOYSA-N 1 2 232.287 1.308 20 30 BDEDLO CC1CC(C#N)(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000597865072 348831711 /nfs/dbraw/zinc/83/17/11/348831711.db2.gz RGBAZNJCTPUDLL-UHFFFAOYSA-N 1 2 232.287 1.308 20 30 BDEDLO C=CCCSCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000597973040 348857911 /nfs/dbraw/zinc/85/79/11/348857911.db2.gz QLISYZKUNKBNEM-UHFFFAOYSA-N 1 2 239.344 1.757 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598463988 348977966 /nfs/dbraw/zinc/97/79/66/348977966.db2.gz DOAPTCRIXMUMKR-BXKDBHETSA-N 1 2 234.303 1.537 20 30 BDEDLO Cc1cn2ccc(NC(=O)[C@@H](C)C#N)cc2[nH+]1 ZINC000598470284 348980223 /nfs/dbraw/zinc/98/02/23/348980223.db2.gz VZZOLBLAMVELIP-QMMMGPOBSA-N 1 2 228.255 1.741 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C#N)C1 ZINC000598418497 348972497 /nfs/dbraw/zinc/97/24/97/348972497.db2.gz SZFJGXIXNBVKGH-GFCCVEGCSA-N 1 2 232.287 1.023 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CC2(CC2)C1 ZINC000598836709 349052313 /nfs/dbraw/zinc/05/23/13/349052313.db2.gz PBKFEQDPSGCLHJ-LBPRGKRZSA-N 1 2 235.331 1.137 20 30 BDEDLO Cc1nccnc1C[N@@H+](C)CC(C)(C)C#N ZINC000598675891 349020378 /nfs/dbraw/zinc/02/03/78/349020378.db2.gz JWSDPTSEQWSNQP-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1nccnc1C[N@H+](C)CC(C)(C)C#N ZINC000598675891 349020381 /nfs/dbraw/zinc/02/03/81/349020381.db2.gz JWSDPTSEQWSNQP-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO C=C[C@@H]([NH2+][C@H](C)CCC1CC1)C(=O)OC ZINC000308899806 349056296 /nfs/dbraw/zinc/05/62/96/349056296.db2.gz BBUDOCDDZLPDHN-MWLCHTKSSA-N 1 2 211.305 1.882 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@@H]1CC1(F)F)C(=O)OC ZINC000598730832 349032787 /nfs/dbraw/zinc/03/27/87/349032787.db2.gz CXHVTWWWFHMIKQ-SFYZADRCSA-N 1 2 219.231 1.349 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)C#N ZINC000598738726 349035962 /nfs/dbraw/zinc/03/59/62/349035962.db2.gz QRXCXDKMXMQPSJ-BDAKNGLRSA-N 1 2 220.276 1.240 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000599236373 349129944 /nfs/dbraw/zinc/12/99/44/349129944.db2.gz BAGRSXXYYSKPFO-WDEREUQCSA-N 1 2 246.314 1.172 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)C#N)CC2 ZINC000599427394 349185410 /nfs/dbraw/zinc/18/54/10/349185410.db2.gz PCOVWTCKJBUGKH-GXSJLCMTSA-N 1 2 246.314 1.030 20 30 BDEDLO C=CC[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000273277605 192390500 /nfs/dbraw/zinc/39/05/00/192390500.db2.gz IMXOCWZHDXQYIC-SNVBAGLBSA-N 1 2 219.288 1.703 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599391047 349169503 /nfs/dbraw/zinc/16/95/03/349169503.db2.gz UVALZIHJDLHCHD-LLVKDONJSA-N 1 2 246.310 1.860 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599391047 349169505 /nfs/dbraw/zinc/16/95/05/349169505.db2.gz UVALZIHJDLHCHD-LLVKDONJSA-N 1 2 246.310 1.860 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCCSC1)C(=O)OC ZINC000308937913 349169515 /nfs/dbraw/zinc/16/95/15/349169515.db2.gz LIKJGSTVABUBAX-ZJUUUORDSA-N 1 2 229.345 1.447 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000601815819 349350593 /nfs/dbraw/zinc/35/05/93/349350593.db2.gz KHDVMYNUQOZNKD-JQWIXIFHSA-N 1 2 246.314 1.411 20 30 BDEDLO Cc1cc(C#N)cc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000161000282 349356691 /nfs/dbraw/zinc/35/66/91/349356691.db2.gz GCVDRGYLPCZNGT-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCCC12CC2)C(=O)OC ZINC000601934242 349388142 /nfs/dbraw/zinc/38/81/42/349388142.db2.gz LFLFHQAWIZHKFB-UWVGGRQHSA-N 1 2 209.289 1.636 20 30 BDEDLO C=CCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813519 350037378 /nfs/dbraw/zinc/03/73/78/350037378.db2.gz HEZDDGJJROLAPN-UHFFFAOYSA-N 1 2 205.261 1.233 20 30 BDEDLO Cc1nc(NCCn2cc[nH+]c2)ccc1C#N ZINC000291636873 180018931 /nfs/dbraw/zinc/01/89/31/180018931.db2.gz MAMLIINZYLYDGE-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152254220 191068879 /nfs/dbraw/zinc/06/88/79/191068879.db2.gz CLSQFYPMDZURCF-LBPRGKRZSA-N 1 2 244.342 1.885 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152254220 191068881 /nfs/dbraw/zinc/06/88/81/191068881.db2.gz CLSQFYPMDZURCF-LBPRGKRZSA-N 1 2 244.342 1.885 20 30 BDEDLO C=CCCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637102445 350198838 /nfs/dbraw/zinc/19/88/38/350198838.db2.gz OIOPAJUNNDPDLC-JTQLQIEISA-N 1 2 234.303 1.073 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2cscn2)CC1 ZINC000336677249 350438507 /nfs/dbraw/zinc/43/85/07/350438507.db2.gz NLEGOXIITMYZBD-UHFFFAOYSA-N 1 2 235.356 1.284 20 30 BDEDLO CC#CCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427987584 191104107 /nfs/dbraw/zinc/10/41/07/191104107.db2.gz AUNDIUOASHCZRB-LBPRGKRZSA-N 1 2 245.326 1.508 20 30 BDEDLO CCN(Cc1[nH+]ccn1C)C[C@H](C)C#N ZINC000336645031 350414188 /nfs/dbraw/zinc/41/41/88/350414188.db2.gz HKJBSSHTGBZBMI-SNVBAGLBSA-N 1 2 206.293 1.402 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC[C@H](C#N)C1 ZINC000331421496 350534748 /nfs/dbraw/zinc/53/47/48/350534748.db2.gz XCZIUUGTIGTGEH-DTWKUNHWSA-N 1 2 242.286 1.467 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009886 350908365 /nfs/dbraw/zinc/90/83/65/350908365.db2.gz CECOPQQSDHALBD-NSHDSACASA-N 1 2 249.314 1.422 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009886 350908369 /nfs/dbraw/zinc/90/83/69/350908369.db2.gz CECOPQQSDHALBD-NSHDSACASA-N 1 2 249.314 1.422 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000290180177 350932179 /nfs/dbraw/zinc/93/21/79/350932179.db2.gz ZCAULQDFHRZCTI-ZETCQYMHSA-N 1 2 239.710 1.123 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000290180177 350932183 /nfs/dbraw/zinc/93/21/83/350932183.db2.gz ZCAULQDFHRZCTI-ZETCQYMHSA-N 1 2 239.710 1.123 20 30 BDEDLO CCOC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397703867 350962247 /nfs/dbraw/zinc/96/22/47/350962247.db2.gz QRJCRVSAYMPXJZ-JTQLQIEISA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397703867 350962249 /nfs/dbraw/zinc/96/22/49/350962249.db2.gz QRJCRVSAYMPXJZ-JTQLQIEISA-N 1 2 210.277 1.175 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000052660212 351064881 /nfs/dbraw/zinc/06/48/81/351064881.db2.gz JKZJZQJLXRYJEJ-JTQLQIEISA-N 1 2 222.288 1.402 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000052660212 351064886 /nfs/dbraw/zinc/06/48/86/351064886.db2.gz JKZJZQJLXRYJEJ-JTQLQIEISA-N 1 2 222.288 1.402 20 30 BDEDLO COC(=O)C[N@H+](CCCC#N)Cc1ccccc1 ZINC000052830265 351073601 /nfs/dbraw/zinc/07/36/01/351073601.db2.gz WINLQWHNIORECF-UHFFFAOYSA-N 1 2 246.310 1.965 20 30 BDEDLO COC(=O)C[N@@H+](CCCC#N)Cc1ccccc1 ZINC000052830265 351073603 /nfs/dbraw/zinc/07/36/03/351073603.db2.gz WINLQWHNIORECF-UHFFFAOYSA-N 1 2 246.310 1.965 20 30 BDEDLO C[C@@H](NC(=O)C(C)(C)C#N)c1[nH]cc[nH+]1 ZINC000139674671 351161962 /nfs/dbraw/zinc/16/19/62/351161962.db2.gz XYOLHUKQLGRXNZ-SSDOTTSWSA-N 1 2 206.249 1.137 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(CO)o1 ZINC000271121308 351402242 /nfs/dbraw/zinc/40/22/42/351402242.db2.gz HXRKPSZUTDHEDF-SECBINFHSA-N 1 2 208.261 1.363 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000271121308 351402245 /nfs/dbraw/zinc/40/22/45/351402245.db2.gz HXRKPSZUTDHEDF-SECBINFHSA-N 1 2 208.261 1.363 20 30 BDEDLO CCc1nn(C)cc1C[NH2+]C[C@H](C)C#N ZINC000122521214 363037381 /nfs/dbraw/zinc/03/73/81/363037381.db2.gz OGJSHZBIYSCPPE-SECBINFHSA-N 1 2 206.293 1.232 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CC1)C(=O)OC ZINC000336727202 351509657 /nfs/dbraw/zinc/50/96/57/351509657.db2.gz CLLAZUYJXFZECO-ONGXEEELSA-N 1 2 227.304 1.119 20 30 BDEDLO Cc1cc(NC(=O)NCCCC#N)cc[nH+]1 ZINC000273288095 351515191 /nfs/dbraw/zinc/51/51/91/351515191.db2.gz ULXVLDYHEHXMPU-UHFFFAOYSA-N 1 2 218.260 1.815 20 30 BDEDLO CC(C)(O)CC/[NH+]=C/c1ccccc1O ZINC000274723516 351579839 /nfs/dbraw/zinc/57/98/39/351579839.db2.gz CHJRSXISFZMIMB-UKTHLTGXSA-N 1 2 207.273 1.972 20 30 BDEDLO CO[C@H](C)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405058323 351558516 /nfs/dbraw/zinc/55/85/16/351558516.db2.gz OTEAWOMVVZEHRO-SNVBAGLBSA-N 1 2 216.284 1.909 20 30 BDEDLO CO[C@H](C)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405058323 351558518 /nfs/dbraw/zinc/55/85/18/351558518.db2.gz OTEAWOMVVZEHRO-SNVBAGLBSA-N 1 2 216.284 1.909 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NC1(C#N)CCCC1 ZINC000276642767 351640829 /nfs/dbraw/zinc/64/08/29/351640829.db2.gz VGGQWWFJGQCCKO-UHFFFAOYSA-N 1 2 246.314 1.305 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000577756232 366055102 /nfs/dbraw/zinc/05/51/02/366055102.db2.gz VUYWOBJBDPSDIS-LLVKDONJSA-N 1 2 245.326 1.623 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](CC)CCC#N)C1=O ZINC000282122777 351924036 /nfs/dbraw/zinc/92/40/36/351924036.db2.gz XYOGCJRSRTYPBM-LLVKDONJSA-N 1 2 221.304 1.009 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](CC)CCC#N)C1=O ZINC000282122777 351924039 /nfs/dbraw/zinc/92/40/39/351924039.db2.gz XYOGCJRSRTYPBM-LLVKDONJSA-N 1 2 221.304 1.009 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCc1cscn1 ZINC000283921940 351986279 /nfs/dbraw/zinc/98/62/79/351986279.db2.gz KDRTVVDXIZFGTJ-VIFPVBQESA-N 1 2 209.318 1.920 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCc1cscn1 ZINC000283921940 351986282 /nfs/dbraw/zinc/98/62/82/351986282.db2.gz KDRTVVDXIZFGTJ-VIFPVBQESA-N 1 2 209.318 1.920 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366647267 352118083 /nfs/dbraw/zinc/11/80/83/352118083.db2.gz WZRBYKZLKZCWRG-GFCCVEGCSA-N 1 2 247.342 1.918 20 30 BDEDLO Cc1ncsc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000289306659 352179209 /nfs/dbraw/zinc/17/92/09/352179209.db2.gz ATCOUCSDKJIGBD-MRVPVSSYSA-N 1 2 241.316 1.419 20 30 BDEDLO C#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)C ZINC000288283217 352144585 /nfs/dbraw/zinc/14/45/85/352144585.db2.gz QKVBTFMMOMHPFT-JTQLQIEISA-N 1 2 233.315 1.506 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000291798071 352289711 /nfs/dbraw/zinc/28/97/11/352289711.db2.gz BNGBOIDGNFAHNK-JTQLQIEISA-N 1 2 234.303 1.315 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000291798071 352289713 /nfs/dbraw/zinc/28/97/13/352289713.db2.gz BNGBOIDGNFAHNK-JTQLQIEISA-N 1 2 234.303 1.315 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCCn1cc[nH+]c1 ZINC000044766413 352394067 /nfs/dbraw/zinc/39/40/67/352394067.db2.gz AOLHYMHYQCEOMH-UHFFFAOYSA-N 1 2 234.303 1.329 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1C[C@@H](C)[S@@](=O)[C@@H](C)C1 ZINC000411616927 191198733 /nfs/dbraw/zinc/19/87/33/191198733.db2.gz FWSGLNASJCVMON-YYHMBLRTSA-N 1 2 228.361 1.520 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)[S@@](=O)[C@@H](C)C1 ZINC000411616927 191198736 /nfs/dbraw/zinc/19/87/36/191198736.db2.gz FWSGLNASJCVMON-YYHMBLRTSA-N 1 2 228.361 1.520 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000411772062 191210148 /nfs/dbraw/zinc/21/01/48/191210148.db2.gz PWEIMEMHUSWOGM-ZDUSSCGKSA-N 1 2 244.338 1.993 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000411772062 191210151 /nfs/dbraw/zinc/21/01/51/191210151.db2.gz PWEIMEMHUSWOGM-ZDUSSCGKSA-N 1 2 244.338 1.993 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1CCCC[C@@H]1C 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1.791 20 30 BDEDLO N#Cc1cccc(OCCn2cc[nH+]c2)c1 ZINC000020253728 181143379 /nfs/dbraw/zinc/14/33/79/181143379.db2.gz PGURGONKHRCRQQ-UHFFFAOYSA-N 1 2 213.240 1.834 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366229 181145040 /nfs/dbraw/zinc/14/50/40/181145040.db2.gz IKAXFWYJEMMZDN-OKILXGFUSA-N 1 2 244.294 1.158 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366229 181145042 /nfs/dbraw/zinc/14/50/42/181145042.db2.gz IKAXFWYJEMMZDN-OKILXGFUSA-N 1 2 244.294 1.158 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCO[C@H](CC)C1 ZINC000301044556 363374648 /nfs/dbraw/zinc/37/46/48/363374648.db2.gz MQOGHXLULNFEAM-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCO[C@H](CC)C1 ZINC000301044556 363374653 /nfs/dbraw/zinc/37/46/53/363374653.db2.gz MQOGHXLULNFEAM-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C[C@H](C#N)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000345983177 354832529 /nfs/dbraw/zinc/83/25/29/354832529.db2.gz AZSWWZJTSAIENY-QJPTWQEYSA-N 1 2 246.314 1.452 20 30 BDEDLO N#Cc1csc(C[N@@H+](CCO)C2CCC2)n1 ZINC000356421881 181166080 /nfs/dbraw/zinc/16/60/80/181166080.db2.gz JMWNLJMFVOWQRU-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@H+](CCO)C2CCC2)n1 ZINC000356421881 181166082 /nfs/dbraw/zinc/16/60/82/181166082.db2.gz JMWNLJMFVOWQRU-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000114858134 355831480 /nfs/dbraw/zinc/83/14/80/355831480.db2.gz IYXZAFAKQKJEJN-UHFFFAOYSA-N 1 2 224.304 1.030 20 30 BDEDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCOC1 ZINC000329245236 355906983 /nfs/dbraw/zinc/90/69/83/355906983.db2.gz ACEOIFDCWPKQAK-JTQLQIEISA-N 1 2 223.276 1.478 20 30 BDEDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCOC1 ZINC000329245236 355906985 /nfs/dbraw/zinc/90/69/85/355906985.db2.gz ACEOIFDCWPKQAK-JTQLQIEISA-N 1 2 223.276 1.478 20 30 BDEDLO Cc1nc(NC(=O)CCc2c[nH+]c[nH]2)nn1C ZINC000329280859 355910821 /nfs/dbraw/zinc/91/08/21/355910821.db2.gz NANMMKFRHQBARH-UHFFFAOYSA-N 1 2 234.263 1.067 20 30 BDEDLO Cc1nc(NC(=O)CCc2c[nH]c[nH+]2)nn1C ZINC000329280859 355910827 /nfs/dbraw/zinc/91/08/27/355910827.db2.gz NANMMKFRHQBARH-UHFFFAOYSA-N 1 2 234.263 1.067 20 30 BDEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000329538443 355929332 /nfs/dbraw/zinc/92/93/32/355929332.db2.gz CAVXYSZWKRILSW-KXUCPTDWSA-N 1 2 249.314 1.649 20 30 BDEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000329538443 355929335 /nfs/dbraw/zinc/92/93/35/355929335.db2.gz CAVXYSZWKRILSW-KXUCPTDWSA-N 1 2 249.314 1.649 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000609561809 355892894 /nfs/dbraw/zinc/89/28/94/355892894.db2.gz QJNGPNHLMFBQCK-SFYZADRCSA-N 1 2 249.236 1.041 20 30 BDEDLO C=CCC[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191964788 355947746 /nfs/dbraw/zinc/94/77/46/355947746.db2.gz VKJVYXGAYOSBKL-OUAUKWLOSA-N 1 2 229.320 1.243 20 30 BDEDLO C=CCCn1cc(C[NH+]2CC(C)(C)C2)nn1 ZINC000639393182 356066295 /nfs/dbraw/zinc/06/62/95/356066295.db2.gz HNYGSCFSOFZDJI-UHFFFAOYSA-N 1 2 220.320 1.696 20 30 BDEDLO O=C(N[C@@H]1CCCOC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329723407 356091485 /nfs/dbraw/zinc/09/14/85/356091485.db2.gz NRFZHDIUKKIMEB-WDEREUQCSA-N 1 2 249.314 1.581 20 30 BDEDLO C=CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000617618571 356189398 /nfs/dbraw/zinc/18/93/98/356189398.db2.gz VAXMSCKCIGOYKI-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO C[C@H](CNc1cncc(C#N)n1)Cn1cc[nH+]c1 ZINC000420578989 192246614 /nfs/dbraw/zinc/24/66/14/192246614.db2.gz AFDHBORIKJESCQ-SNVBAGLBSA-N 1 2 242.286 1.293 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304176 356595410 /nfs/dbraw/zinc/59/54/10/356595410.db2.gz RZROMNRRZAWFOE-VXGBXAGGSA-N 1 2 247.342 1.916 20 30 BDEDLO C=CC[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000302142007 134157504 /nfs/dbraw/zinc/15/75/04/134157504.db2.gz PKNDFXQTUPIHSZ-SECBINFHSA-N 1 2 244.298 1.561 20 30 BDEDLO C=CCCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000354279336 134167534 /nfs/dbraw/zinc/16/75/34/134167534.db2.gz ACBQHOSLPJHZAJ-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO COCC[N@H+](CCC#N)[C@H]1CCO[C@@H]1C ZINC000355683580 134174574 /nfs/dbraw/zinc/17/45/74/134174574.db2.gz SIFCYLAJWHIYMG-MNOVXSKESA-N 1 2 212.293 1.026 20 30 BDEDLO COCC[N@@H+](CCC#N)[C@H]1CCO[C@@H]1C ZINC000355683580 134174575 /nfs/dbraw/zinc/17/45/75/134174575.db2.gz SIFCYLAJWHIYMG-MNOVXSKESA-N 1 2 212.293 1.026 20 30 BDEDLO C=CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623372277 356880759 /nfs/dbraw/zinc/88/07/59/356880759.db2.gz MOKQNEVHHBMCKT-SNVBAGLBSA-N 1 2 219.288 1.056 20 30 BDEDLO C=CCN(CC=C)C(=O)COc1cc[nH+]cc1 ZINC000356087418 134177058 /nfs/dbraw/zinc/17/70/58/134177058.db2.gz DIXGKISTAUHNRI-UHFFFAOYSA-N 1 2 232.283 1.661 20 30 BDEDLO CC(C)(C)[N@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450501642 202186595 /nfs/dbraw/zinc/18/65/95/202186595.db2.gz RGBKBVCHEZMGKP-UHFFFAOYSA-N 1 2 223.320 1.266 20 30 BDEDLO CC(C)(C)[N@@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450501642 202186599 /nfs/dbraw/zinc/18/65/99/202186599.db2.gz RGBKBVCHEZMGKP-UHFFFAOYSA-N 1 2 223.320 1.266 20 30 BDEDLO CCCCOC[C@H](O)C[N@H+](C)CCC#N ZINC000193243785 356896379 /nfs/dbraw/zinc/89/63/79/356896379.db2.gz LJUNJBOXFNDJQW-LLVKDONJSA-N 1 2 214.309 1.009 20 30 BDEDLO CCCCOC[C@H](O)C[N@@H+](C)CCC#N ZINC000193243785 356896381 /nfs/dbraw/zinc/89/63/81/356896381.db2.gz LJUNJBOXFNDJQW-LLVKDONJSA-N 1 2 214.309 1.009 20 30 BDEDLO C[C@H](C#N)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000582260562 356900133 /nfs/dbraw/zinc/90/01/33/356900133.db2.gz DRTRKGJYZLYCHM-LLVKDONJSA-N 1 2 249.318 1.122 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1[nH+]ccn1CC ZINC000385266517 357043058 /nfs/dbraw/zinc/04/30/58/357043058.db2.gz WIPSDIAEGVKCOK-VIFPVBQESA-N 1 2 220.276 1.069 20 30 BDEDLO CC(C)(CCC#N)C[N@@H+]1CCn2nncc2C1 ZINC000584361122 357327104 /nfs/dbraw/zinc/32/71/04/357327104.db2.gz DFAVACLXNAYLKQ-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO CC(C)(CCC#N)C[N@H+]1CCn2nncc2C1 ZINC000584361122 357327110 /nfs/dbraw/zinc/32/71/10/357327110.db2.gz DFAVACLXNAYLKQ-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO N#CCC[N@@H+](CCn1ccccc1=O)CC1CC1 ZINC000610485276 357957721 /nfs/dbraw/zinc/95/77/21/357957721.db2.gz YQSDCODOXHCFEJ-UHFFFAOYSA-N 1 2 245.326 1.474 20 30 BDEDLO N#CCC[N@H+](CCn1ccccc1=O)CC1CC1 ZINC000610485276 357957723 /nfs/dbraw/zinc/95/77/23/357957723.db2.gz YQSDCODOXHCFEJ-UHFFFAOYSA-N 1 2 245.326 1.474 20 30 BDEDLO Cc1cc([C@H]2CCC[N@H+](CCC#N)C2)[nH]n1 ZINC000377845305 134245148 /nfs/dbraw/zinc/24/51/48/134245148.db2.gz QHIWNAMNLMTKKJ-NSHDSACASA-N 1 2 218.304 1.811 20 30 BDEDLO Cc1cc([C@H]2CCC[N@@H+](CCC#N)C2)[nH]n1 ZINC000377845305 134245149 /nfs/dbraw/zinc/24/51/49/134245149.db2.gz QHIWNAMNLMTKKJ-NSHDSACASA-N 1 2 218.304 1.811 20 30 BDEDLO Cc1cc([C@H]2CCC[N@H+](CCC#N)C2)n[nH]1 ZINC000377845305 134245150 /nfs/dbraw/zinc/24/51/50/134245150.db2.gz QHIWNAMNLMTKKJ-NSHDSACASA-N 1 2 218.304 1.811 20 30 BDEDLO Cc1cc([C@H]2CCC[N@@H+](CCC#N)C2)n[nH]1 ZINC000377845305 134245151 /nfs/dbraw/zinc/24/51/51/134245151.db2.gz QHIWNAMNLMTKKJ-NSHDSACASA-N 1 2 218.304 1.811 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccnc1OC ZINC000037485453 358073106 /nfs/dbraw/zinc/07/31/06/358073106.db2.gz NGQWZFGXFYXSBT-NSHDSACASA-N 1 2 219.288 1.872 20 30 BDEDLO CC#CC[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038241 358137850 /nfs/dbraw/zinc/13/78/50/358137850.db2.gz COTAEWAPLDHTAL-UHFFFAOYSA-N 1 2 244.342 1.631 20 30 BDEDLO CC#CC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038241 358137851 /nfs/dbraw/zinc/13/78/51/358137851.db2.gz COTAEWAPLDHTAL-UHFFFAOYSA-N 1 2 244.342 1.631 20 30 BDEDLO CCCCC[N@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450713604 202242293 /nfs/dbraw/zinc/24/22/93/202242293.db2.gz UPFILFVSFSTBBT-UHFFFAOYSA-N 1 2 237.347 1.658 20 30 BDEDLO CCCCC[N@@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450713604 202242296 /nfs/dbraw/zinc/24/22/96/202242296.db2.gz UPFILFVSFSTBBT-UHFFFAOYSA-N 1 2 237.347 1.658 20 30 BDEDLO N#CC1(CSCC[NH+]2CCOCC2)CCC1 ZINC000450765737 202249941 /nfs/dbraw/zinc/24/99/41/202249941.db2.gz YSNANSOFIABABB-UHFFFAOYSA-N 1 2 240.372 1.746 20 30 BDEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1cnccn1 ZINC000610994497 358422045 /nfs/dbraw/zinc/42/20/45/358422045.db2.gz ILRRMUZCLLFOPL-UHFFFAOYSA-N 1 2 239.282 1.375 20 30 BDEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1cnccn1 ZINC000610994497 358422048 /nfs/dbraw/zinc/42/20/48/358422048.db2.gz ILRRMUZCLLFOPL-UHFFFAOYSA-N 1 2 239.282 1.375 20 30 BDEDLO C=C(CC)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307749361 358441298 /nfs/dbraw/zinc/44/12/98/358441298.db2.gz GJFKXSWOGWUTNS-GWCFXTLKSA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(CC)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307749361 358441301 /nfs/dbraw/zinc/44/13/01/358441301.db2.gz GJFKXSWOGWUTNS-GWCFXTLKSA-N 1 2 201.335 1.405 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000042449683 358523791 /nfs/dbraw/zinc/52/37/91/358523791.db2.gz PQMZOSHCMIPUDQ-MNOVXSKESA-N 1 2 223.320 1.159 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000042449683 358523794 /nfs/dbraw/zinc/52/37/94/358523794.db2.gz PQMZOSHCMIPUDQ-MNOVXSKESA-N 1 2 223.320 1.159 20 30 BDEDLO CC#CC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000131735865 358692112 /nfs/dbraw/zinc/69/21/12/358692112.db2.gz JYSFRENBRJODFH-CYBMUJFWSA-N 1 2 218.300 1.422 20 30 BDEDLO CC#CC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000131735865 358692114 /nfs/dbraw/zinc/69/21/14/358692114.db2.gz JYSFRENBRJODFH-CYBMUJFWSA-N 1 2 218.300 1.422 20 30 BDEDLO Cc1ccc(C#N)nc1NCC[NH+]1CCOCC1 ZINC000611399183 359356570 /nfs/dbraw/zinc/35/65/70/359356570.db2.gz WIPRPTNZKFCXKM-UHFFFAOYSA-N 1 2 246.314 1.006 20 30 BDEDLO C=C(CC)C[N@@H+](C)[C@H](COCC)C(=O)OC ZINC000611348288 359327824 /nfs/dbraw/zinc/32/78/24/359327824.db2.gz ZQSWBICJKMDKOT-LLVKDONJSA-N 1 2 229.320 1.463 20 30 BDEDLO C=C(CC)C[N@H+](C)[C@H](COCC)C(=O)OC ZINC000611348288 359327827 /nfs/dbraw/zinc/32/78/27/359327827.db2.gz ZQSWBICJKMDKOT-LLVKDONJSA-N 1 2 229.320 1.463 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C1CC1 ZINC000274142224 359511935 /nfs/dbraw/zinc/51/19/35/359511935.db2.gz QZTSKLMMXMEKBH-UHFFFAOYSA-N 1 2 245.326 1.314 20 30 BDEDLO C#CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C1CC1 ZINC000274142224 359511936 /nfs/dbraw/zinc/51/19/36/359511936.db2.gz QZTSKLMMXMEKBH-UHFFFAOYSA-N 1 2 245.326 1.314 20 30 BDEDLO N#CCC[N@H+](Cc1ncccc1O)CC1CC1 ZINC000580498476 359750930 /nfs/dbraw/zinc/75/09/30/359750930.db2.gz RFERARSNIUTXIB-UHFFFAOYSA-N 1 2 231.299 1.913 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164903 359720016 /nfs/dbraw/zinc/72/00/16/359720016.db2.gz INKQLKWMDWHJMS-LBPRGKRZSA-N 1 2 206.289 1.262 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164903 359720022 /nfs/dbraw/zinc/72/00/22/359720022.db2.gz INKQLKWMDWHJMS-LBPRGKRZSA-N 1 2 206.289 1.262 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000450901248 202302709 /nfs/dbraw/zinc/30/27/09/202302709.db2.gz VWNUCYNPZRPZAP-NSHDSACASA-N 1 2 243.310 1.791 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)CCCn1cc[nH+]c1 ZINC000613037831 360288350 /nfs/dbraw/zinc/28/83/50/360288350.db2.gz NJNMODVWZVKSNC-NSHDSACASA-N 1 2 234.303 1.472 20 30 BDEDLO CC#CCC[N@@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000613172524 360474577 /nfs/dbraw/zinc/47/45/77/360474577.db2.gz GSWYDPWASVSFAM-GFCCVEGCSA-N 1 2 241.331 1.298 20 30 BDEDLO CC#CCC[N@H+](C)[C@H](COC(C)C)C(=O)OC ZINC000613172524 360474581 /nfs/dbraw/zinc/47/45/81/360474581.db2.gz GSWYDPWASVSFAM-GFCCVEGCSA-N 1 2 241.331 1.298 20 30 BDEDLO Cc1cc(C#N)cc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000161088785 360510471 /nfs/dbraw/zinc/51/04/71/360510471.db2.gz XYJBYOSCYAFAMS-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(C#N)cc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000161088785 360510477 /nfs/dbraw/zinc/51/04/77/360510477.db2.gz XYJBYOSCYAFAMS-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccnn2C)nn1 ZINC000424294224 200900139 /nfs/dbraw/zinc/90/01/39/200900139.db2.gz JZXZKBIMZYSSDQ-JTQLQIEISA-N 1 2 246.318 1.048 20 30 BDEDLO O[C@]12C[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000640482807 361268857 /nfs/dbraw/zinc/26/88/57/361268857.db2.gz TYOASIYKPYAZIE-JSGCOSHPSA-N 1 2 247.725 1.758 20 30 BDEDLO O[C@]12C[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000640482807 361268862 /nfs/dbraw/zinc/26/88/62/361268862.db2.gz TYOASIYKPYAZIE-JSGCOSHPSA-N 1 2 247.725 1.758 20 30 BDEDLO C[C@H]1C[N@H+](CCN(C)CC(C)(C)C#N)CCO1 ZINC000433311716 201180266 /nfs/dbraw/zinc/18/02/66/201180266.db2.gz IOLYISVCXWQAMJ-LBPRGKRZSA-N 1 2 239.363 1.189 20 30 BDEDLO C[C@H]1C[N@@H+](CCN(C)CC(C)(C)C#N)CCO1 ZINC000433311716 201180270 /nfs/dbraw/zinc/18/02/70/201180270.db2.gz IOLYISVCXWQAMJ-LBPRGKRZSA-N 1 2 239.363 1.189 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc2n1CCOC2 ZINC000436095986 201310828 /nfs/dbraw/zinc/31/08/28/201310828.db2.gz DEAKAIOIPWVGQE-LLVKDONJSA-N 1 2 248.330 1.349 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc2n1CCOC2 ZINC000436095986 201310831 /nfs/dbraw/zinc/31/08/31/201310831.db2.gz DEAKAIOIPWVGQE-LLVKDONJSA-N 1 2 248.330 1.349 20 30 BDEDLO C[C@](CO)([NH2+]CCC#N)c1ccccc1 ZINC000161275408 363883553 /nfs/dbraw/zinc/88/35/53/363883553.db2.gz WOMDPWLKXNMGDC-GFCCVEGCSA-N 1 2 204.273 1.397 20 30 BDEDLO C[N@@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000181737833 366844027 /nfs/dbraw/zinc/84/40/27/366844027.db2.gz LKVSOZNLDUKZMY-NSHDSACASA-N 1 2 212.293 1.375 20 30 BDEDLO C[N@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000181737833 366844031 /nfs/dbraw/zinc/84/40/31/366844031.db2.gz LKVSOZNLDUKZMY-NSHDSACASA-N 1 2 212.293 1.375 20 30 BDEDLO CC#CCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000573696038 364894448 /nfs/dbraw/zinc/89/44/48/364894448.db2.gz QODRQVVHANWLLL-VIFPVBQESA-N 1 2 207.277 1.784 20 30 BDEDLO CC#CCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000573696038 364894456 /nfs/dbraw/zinc/89/44/56/364894456.db2.gz QODRQVVHANWLLL-VIFPVBQESA-N 1 2 207.277 1.784 20 30 BDEDLO C[C@H](CC(=O)N(C)C1(C#N)CCC1)n1cc[nH+]c1 ZINC000573855277 364932361 /nfs/dbraw/zinc/93/23/61/364932361.db2.gz ZSDIMEAJMVYSTB-LLVKDONJSA-N 1 2 246.314 1.739 20 30 BDEDLO C=CCCn1cc(C[N@H+]2CC[C@H]2CC)nn1 ZINC000653696200 541444314 /nfs/dbraw/zinc/44/43/14/541444314.db2.gz QAVLXRHPRICBFR-GFCCVEGCSA-N 1 2 220.320 1.839 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H]2CC)nn1 ZINC000653696200 541444318 /nfs/dbraw/zinc/44/43/18/541444318.db2.gz QAVLXRHPRICBFR-GFCCVEGCSA-N 1 2 220.320 1.839 20 30 BDEDLO C=CCC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000554529354 325725485 /nfs/dbraw/zinc/72/54/85/325725485.db2.gz OYEBEHOVCCSIRJ-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO Cc1cc(C[NH2+]Cc2ncn(C)n2)ccc1C#N ZINC000444005788 193033013 /nfs/dbraw/zinc/03/30/13/193033013.db2.gz YWBKFMDTVBMBEQ-UHFFFAOYSA-N 1 2 241.298 1.285 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(C)(C)C ZINC000068482934 370808525 /nfs/dbraw/zinc/80/85/25/370808525.db2.gz IKXIHSFTEMLJLH-DTWKUNHWSA-N 1 2 211.309 1.181 20 30 BDEDLO CCCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575731116 365343409 /nfs/dbraw/zinc/34/34/09/365343409.db2.gz FOTOQQVBXCEIPE-GFCCVEGCSA-N 1 2 225.336 1.527 20 30 BDEDLO Cc1c[nH+]ccc1CCN1CCOC[C@H]1C#N ZINC000576035007 365456537 /nfs/dbraw/zinc/45/65/37/365456537.db2.gz AJTZBQPKINXHNO-CYBMUJFWSA-N 1 2 231.299 1.157 20 30 BDEDLO COCC[N@H+](CC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000453593209 202779337 /nfs/dbraw/zinc/77/93/37/202779337.db2.gz BISLFOBARIWXKE-RYUDHWBXSA-N 1 2 226.320 1.273 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000453593209 202779341 /nfs/dbraw/zinc/77/93/41/202779341.db2.gz BISLFOBARIWXKE-RYUDHWBXSA-N 1 2 226.320 1.273 20 30 BDEDLO CC(=O)NCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000579706644 366985742 /nfs/dbraw/zinc/98/57/42/366985742.db2.gz RMSNTMXIGCATQY-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CC(=O)NCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000579706644 366985745 /nfs/dbraw/zinc/98/57/45/366985745.db2.gz RMSNTMXIGCATQY-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000068613839 370821109 /nfs/dbraw/zinc/82/11/09/370821109.db2.gz AAUQGBMUPBODRP-RYUDHWBXSA-N 1 2 245.326 1.583 20 30 BDEDLO Cc1nnc([C@@H](C)[NH2+]CCC(C)(C)C#N)o1 ZINC000381298978 367377001 /nfs/dbraw/zinc/37/70/01/367377001.db2.gz HMSGIDLDDHVBOP-MRVPVSSYSA-N 1 2 222.292 1.969 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N1CC[C@](F)(C#N)C1 ZINC000615540053 368100331 /nfs/dbraw/zinc/10/03/31/368100331.db2.gz DDLVWKFERNSGDE-LBPRGKRZSA-N 1 2 248.261 1.281 20 30 BDEDLO N#C[C@]1(F)CCN(CCCn2cc[nH+]c2)C1 ZINC000615642629 368184829 /nfs/dbraw/zinc/18/48/29/368184829.db2.gz CVLMHIUXNPPPDF-LLVKDONJSA-N 1 2 222.267 1.211 20 30 BDEDLO COC[C@@H](C)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615652093 368193531 /nfs/dbraw/zinc/19/35/31/368193531.db2.gz XCORZQNCYIGCBB-UWVGGRQHSA-N 1 2 200.257 1.206 20 30 BDEDLO COC[C@@H](C)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615652093 368193537 /nfs/dbraw/zinc/19/35/37/368193537.db2.gz XCORZQNCYIGCBB-UWVGGRQHSA-N 1 2 200.257 1.206 20 30 BDEDLO C=CCn1c(C)nnc1SCc1[nH+]ccn1C ZINC000059337820 368531025 /nfs/dbraw/zinc/53/10/25/368531025.db2.gz ZKBSPJCOHZFVKZ-UHFFFAOYSA-N 1 2 249.343 1.798 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnc2ccccc2n1 ZINC000054181118 369060067 /nfs/dbraw/zinc/06/00/67/369060067.db2.gz XVHDWNXIYSPKBR-SNVBAGLBSA-N 1 2 226.283 1.879 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459186039 203237248 /nfs/dbraw/zinc/23/72/48/203237248.db2.gz UCUAMJANTMRXPF-JTQLQIEISA-N 1 2 236.319 1.226 20 30 BDEDLO Cn1ccnc1C[NH2+]CC1(C#N)CCCC1 ZINC000405123327 369446782 /nfs/dbraw/zinc/44/67/82/369446782.db2.gz JRQOZUOMDMKWEH-UHFFFAOYSA-N 1 2 218.304 1.594 20 30 BDEDLO Cn1cc[nH+]c1CNCC1(C#N)CCCC1 ZINC000405123327 369446785 /nfs/dbraw/zinc/44/67/85/369446785.db2.gz JRQOZUOMDMKWEH-UHFFFAOYSA-N 1 2 218.304 1.594 20 30 BDEDLO CCOCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405052261 369442412 /nfs/dbraw/zinc/44/24/12/369442412.db2.gz KGLLTODDDFZIQD-UHFFFAOYSA-N 1 2 216.284 1.910 20 30 BDEDLO CCOCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405052261 369442415 /nfs/dbraw/zinc/44/24/15/369442415.db2.gz KGLLTODDDFZIQD-UHFFFAOYSA-N 1 2 216.284 1.910 20 30 BDEDLO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602000414 369733232 /nfs/dbraw/zinc/73/32/32/369733232.db2.gz XYSHEQYZPACLGT-SECBINFHSA-N 1 2 249.289 1.312 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602436085 369788599 /nfs/dbraw/zinc/78/85/99/369788599.db2.gz WPTJXXNHTCFIEX-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602436085 369788601 /nfs/dbraw/zinc/78/86/01/369788601.db2.gz WPTJXXNHTCFIEX-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899523 369861257 /nfs/dbraw/zinc/86/12/57/369861257.db2.gz PPMDWGMQXRJYBL-FZMZJTMJSA-N 1 2 246.310 1.924 20 30 BDEDLO CO[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899523 369861259 /nfs/dbraw/zinc/86/12/59/369861259.db2.gz PPMDWGMQXRJYBL-FZMZJTMJSA-N 1 2 246.310 1.924 20 30 BDEDLO Cc1cc(NCC2CSC2)c(C#N)c[nH+]1 ZINC000603414944 369959119 /nfs/dbraw/zinc/95/91/19/369959119.db2.gz XXESSXFYMFARRP-UHFFFAOYSA-N 1 2 219.313 1.459 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH+]1CCSCC1 ZINC000076511653 370304125 /nfs/dbraw/zinc/30/41/25/370304125.db2.gz GSUHRUQLDNCATQ-JTQLQIEISA-N 1 2 209.318 1.479 20 30 BDEDLO CC[C@H](Nc1cnc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000139804486 370993880 /nfs/dbraw/zinc/99/38/80/370993880.db2.gz ROBFZEWLJADVIA-VIFPVBQESA-N 1 2 228.259 1.635 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000389286977 371128028 /nfs/dbraw/zinc/12/80/28/371128028.db2.gz WGPLWHJVDKJPPK-VGMNWLOBSA-N 1 2 215.318 1.055 20 30 BDEDLO Cc1cc(NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC000131739109 371663896 /nfs/dbraw/zinc/66/38/96/371663896.db2.gz LAAYKRDOLJNKLO-UHFFFAOYSA-N 1 2 226.239 1.842 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000633304179 373461604 /nfs/dbraw/zinc/46/16/04/373461604.db2.gz COAQFALFNNJLSJ-JTQLQIEISA-N 1 2 231.299 1.280 20 30 BDEDLO C[C@@H](CNc1cc(C#N)ccn1)[NH+]1CCOCC1 ZINC000283419969 383845611 /nfs/dbraw/zinc/84/56/11/383845611.db2.gz BPIMUZWPJBYSKB-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000310521102 384007653 /nfs/dbraw/zinc/00/76/53/384007653.db2.gz LZGJMWSILUETNW-WDEREUQCSA-N 1 2 232.287 1.082 20 30 BDEDLO Cc1cccn2cc(Cn3cc(C#N)cn3)[nH+]c12 ZINC000558690773 384077565 /nfs/dbraw/zinc/07/75/65/384077565.db2.gz UGYHZPLQQWAMHB-UHFFFAOYSA-N 1 2 237.266 1.759 20 30 BDEDLO C=CCN(c1cc(NC[C@@H](C)O)[nH+]cn1)C1CC1 ZINC000299081794 384108758 /nfs/dbraw/zinc/10/87/58/384108758.db2.gz VSZFQAUAMCFGEY-SNVBAGLBSA-N 1 2 248.330 1.424 20 30 BDEDLO C=CCN(c1cc(NC[C@@H](C)O)nc[nH+]1)C1CC1 ZINC000299081794 384108766 /nfs/dbraw/zinc/10/87/66/384108766.db2.gz VSZFQAUAMCFGEY-SNVBAGLBSA-N 1 2 248.330 1.424 20 30 BDEDLO Cc1cc(C#N)c(=O)n(CC[C@H]2CC[NH2+]C2)c1 ZINC000335447867 384290636 /nfs/dbraw/zinc/29/06/36/384290636.db2.gz RWDPRCPVHTZDIE-LLVKDONJSA-N 1 2 231.299 1.028 20 30 BDEDLO CC[N@H+](CCC#N)CCc1nccs1 ZINC000159430707 384331598 /nfs/dbraw/zinc/33/15/98/384331598.db2.gz VCGGUOFEWKAZBZ-UHFFFAOYSA-N 1 2 209.318 1.921 20 30 BDEDLO CC[N@@H+](CCC#N)CCc1nccs1 ZINC000159430707 384331604 /nfs/dbraw/zinc/33/16/04/384331604.db2.gz VCGGUOFEWKAZBZ-UHFFFAOYSA-N 1 2 209.318 1.921 20 30 BDEDLO Cn1c[nH+]c(CCNc2cccc(C#N)n2)c1 ZINC000313470396 384407253 /nfs/dbraw/zinc/40/72/53/384407253.db2.gz NPTUJEOAGCSPSU-UHFFFAOYSA-N 1 2 227.271 1.341 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000490851876 384441028 /nfs/dbraw/zinc/44/10/28/384441028.db2.gz IQIACRMYAYXTLJ-CYBMUJFWSA-N 1 2 241.294 1.040 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000490851876 384441033 /nfs/dbraw/zinc/44/10/33/384441033.db2.gz IQIACRMYAYXTLJ-CYBMUJFWSA-N 1 2 241.294 1.040 20 30 BDEDLO N#C[C@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000096474833 384459559 /nfs/dbraw/zinc/45/95/59/384459559.db2.gz BFLFGKVBGFGRAF-NSHDSACASA-N 1 2 239.278 1.964 20 30 BDEDLO CN(Cc1ccc(N)[nH+]c1)c1ncccc1C#N ZINC000135981447 384469463 /nfs/dbraw/zinc/46/94/63/384469463.db2.gz NORFDEUKPIAKGG-UHFFFAOYSA-N 1 2 239.282 1.567 20 30 BDEDLO CC(C)n1cc(C[NH2+]CC(C)(C)C#N)nn1 ZINC000309437627 134424465 /nfs/dbraw/zinc/42/44/65/134424465.db2.gz YRRISTQJKQPZCX-UHFFFAOYSA-N 1 2 221.308 1.498 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC000071177978 384666235 /nfs/dbraw/zinc/66/62/35/384666235.db2.gz XIVPNPLPMFLHQO-VIFPVBQESA-N 1 2 228.259 1.045 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cnc(C#N)cn1 ZINC000071177979 384668082 /nfs/dbraw/zinc/66/80/82/384668082.db2.gz XIVPNPLPMFLHQO-SECBINFHSA-N 1 2 228.259 1.045 20 30 BDEDLO C=CC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155539320 384733390 /nfs/dbraw/zinc/73/33/90/384733390.db2.gz ZGLAIIBONDACPQ-LLVKDONJSA-N 1 2 243.314 1.045 20 30 BDEDLO C=CC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155539320 384733396 /nfs/dbraw/zinc/73/33/96/384733396.db2.gz ZGLAIIBONDACPQ-LLVKDONJSA-N 1 2 243.314 1.045 20 30 BDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccon1 ZINC000174222468 384765513 /nfs/dbraw/zinc/76/55/13/384765513.db2.gz UAISLKXZSBSLDB-VIFPVBQESA-N 1 2 241.291 1.525 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C)nc2)nn1 ZINC000424166314 385098671 /nfs/dbraw/zinc/09/86/71/385098671.db2.gz AHAFIDWBJDHXBS-UHFFFAOYSA-N 1 2 243.314 1.457 20 30 BDEDLO COc1cc[nH+]c(CN2CC(C)(C#N)C2)c1 ZINC000559759076 385154221 /nfs/dbraw/zinc/15/42/21/385154221.db2.gz NXLHLCOAVINAIO-UHFFFAOYSA-N 1 2 217.272 1.436 20 30 BDEDLO CC#CC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178277441 385225044 /nfs/dbraw/zinc/22/50/44/385225044.db2.gz VKXRYEPJIDYSHP-SNVBAGLBSA-N 1 2 234.265 1.578 20 30 BDEDLO CCC[N@H+](CC(=O)OC)Cc1cccc(C#N)c1 ZINC000048400883 385263654 /nfs/dbraw/zinc/26/36/54/385263654.db2.gz LERBZYWHWKJMEP-UHFFFAOYSA-N 1 2 246.310 1.943 20 30 BDEDLO CCC[N@@H+](CC(=O)OC)Cc1cccc(C#N)c1 ZINC000048400883 385263660 /nfs/dbraw/zinc/26/36/60/385263660.db2.gz LERBZYWHWKJMEP-UHFFFAOYSA-N 1 2 246.310 1.943 20 30 BDEDLO C[C@H](O)CCC[N@H+](CC#N)C1CCCC1 ZINC000308943348 385298876 /nfs/dbraw/zinc/29/88/76/385298876.db2.gz VMKFEZBSOJJPDL-NSHDSACASA-N 1 2 210.321 1.916 20 30 BDEDLO C[C@H](O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000308943348 385298881 /nfs/dbraw/zinc/29/88/81/385298881.db2.gz VMKFEZBSOJJPDL-NSHDSACASA-N 1 2 210.321 1.916 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492606545 385404298 /nfs/dbraw/zinc/40/42/98/385404298.db2.gz WKSUPVNXWWHTGK-QRGHLMKCSA-N 1 2 246.314 1.725 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000644806633 385456711 /nfs/dbraw/zinc/45/67/11/385456711.db2.gz ZGEBYALRSZVZFB-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492763914 533123580 /nfs/dbraw/zinc/12/35/80/533123580.db2.gz JVMMPKKEDHOXEL-FWYAXHSGSA-N 1 2 244.298 1.574 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000181286425 385570086 /nfs/dbraw/zinc/57/00/86/385570086.db2.gz RIBPOOLTXFUAFI-UHFFFAOYSA-N 1 2 207.277 1.955 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(C2CC2)no1 ZINC000181286425 385570089 /nfs/dbraw/zinc/57/00/89/385570089.db2.gz RIBPOOLTXFUAFI-UHFFFAOYSA-N 1 2 207.277 1.955 20 30 BDEDLO C[C@@H](C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117769772 385624192 /nfs/dbraw/zinc/62/41/92/385624192.db2.gz LWWIUKVGYFKUJJ-JTQLQIEISA-N 1 2 240.266 1.514 20 30 BDEDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)CCCC#N ZINC000451274443 385769728 /nfs/dbraw/zinc/76/97/28/385769728.db2.gz XJSJDQCEVXDDSS-LLVKDONJSA-N 1 2 226.320 1.810 20 30 BDEDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCCC#N ZINC000451274443 385769734 /nfs/dbraw/zinc/76/97/34/385769734.db2.gz XJSJDQCEVXDDSS-LLVKDONJSA-N 1 2 226.320 1.810 20 30 BDEDLO Cc1nsc(NCCn2cc[nH+]c2)c1C#N ZINC000086254934 385769815 /nfs/dbraw/zinc/76/98/15/385769815.db2.gz OLNGOVIUQKRXTB-UHFFFAOYSA-N 1 2 233.300 1.632 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(O)c1 ZINC000094680043 385725554 /nfs/dbraw/zinc/72/55/54/385725554.db2.gz FALFRCLNEKOPQD-SNVBAGLBSA-N 1 2 204.273 1.984 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(O)c1 ZINC000094680043 385725559 /nfs/dbraw/zinc/72/55/59/385725559.db2.gz FALFRCLNEKOPQD-SNVBAGLBSA-N 1 2 204.273 1.984 20 30 BDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC#N ZINC000067653473 385847397 /nfs/dbraw/zinc/84/73/97/385847397.db2.gz JHBLNYVGSMVRED-NSHDSACASA-N 1 2 223.320 1.233 20 30 BDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC#N ZINC000067653473 385847399 /nfs/dbraw/zinc/84/73/99/385847399.db2.gz JHBLNYVGSMVRED-NSHDSACASA-N 1 2 223.320 1.233 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189675408 533156636 /nfs/dbraw/zinc/15/66/36/533156636.db2.gz QDPVQVSLMZQTPH-UHFFFAOYSA-N 1 2 230.315 1.042 20 30 BDEDLO C#CC[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000072577034 533156777 /nfs/dbraw/zinc/15/67/77/533156777.db2.gz KPNZJSICVJPYHX-UHFFFAOYSA-N 1 2 244.338 1.841 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425432195 386051096 /nfs/dbraw/zinc/05/10/96/386051096.db2.gz JYORDJDOKPHCAV-UHFFFAOYSA-N 1 2 203.192 1.625 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425432195 386051103 /nfs/dbraw/zinc/05/11/03/386051103.db2.gz JYORDJDOKPHCAV-UHFFFAOYSA-N 1 2 203.192 1.625 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345241748 386074605 /nfs/dbraw/zinc/07/46/05/386074605.db2.gz ZXMDUHCTTPIAFX-MWLCHTKSSA-N 1 2 248.330 1.745 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)C1CC1 ZINC000425444369 386074893 /nfs/dbraw/zinc/07/48/93/386074893.db2.gz LSKKOCRNODLRSX-GFCCVEGCSA-N 1 2 208.305 1.813 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)C1CC1 ZINC000425444369 386074899 /nfs/dbraw/zinc/07/48/99/386074899.db2.gz LSKKOCRNODLRSX-GFCCVEGCSA-N 1 2 208.305 1.813 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345241746 386075827 /nfs/dbraw/zinc/07/58/27/386075827.db2.gz ZXMDUHCTTPIAFX-KOLCDFICSA-N 1 2 248.330 1.745 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000334450166 386088854 /nfs/dbraw/zinc/08/88/54/386088854.db2.gz SVUUXCFIXSZLKT-QWHCGFSZSA-N 1 2 232.283 1.905 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000334450166 386088859 /nfs/dbraw/zinc/08/88/59/386088859.db2.gz SVUUXCFIXSZLKT-QWHCGFSZSA-N 1 2 232.283 1.905 20 30 BDEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC1(C#N)CC1 ZINC000408350825 386186913 /nfs/dbraw/zinc/18/69/13/386186913.db2.gz AATSNOCZWGJQDR-LBPRGKRZSA-N 1 2 235.331 1.281 20 30 BDEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC1(C#N)CC1 ZINC000408350825 386186916 /nfs/dbraw/zinc/18/69/16/386186916.db2.gz AATSNOCZWGJQDR-LBPRGKRZSA-N 1 2 235.331 1.281 20 30 BDEDLO C[C@@H](C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000347144575 386261368 /nfs/dbraw/zinc/26/13/68/386261368.db2.gz XQLPZOXJYFGHDL-NSHDSACASA-N 1 2 246.314 1.550 20 30 BDEDLO Cc1cc(NC[C@@H]2CCC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000398996928 386410853 /nfs/dbraw/zinc/41/08/53/386410853.db2.gz PYKJPHVPWJRGJG-YPMHNXCESA-N 1 2 245.326 1.647 20 30 BDEDLO COc1ccccc1[C@H](CO)[NH2+]CCC#N ZINC000519400764 386431829 /nfs/dbraw/zinc/43/18/29/386431829.db2.gz OYVHYHPAUUFTJE-NSHDSACASA-N 1 2 220.272 1.232 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000335446766 386512910 /nfs/dbraw/zinc/51/29/10/386512910.db2.gz KVGATDLTMFZZHD-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000335446766 386512912 /nfs/dbraw/zinc/51/29/12/386512912.db2.gz KVGATDLTMFZZHD-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO CC#CC[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123821459 386578017 /nfs/dbraw/zinc/57/80/17/386578017.db2.gz FFPDDVLYQHJPGU-GFCCVEGCSA-N 1 2 230.311 1.558 20 30 BDEDLO CC#CC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123821459 386578019 /nfs/dbraw/zinc/57/80/19/386578019.db2.gz FFPDDVLYQHJPGU-GFCCVEGCSA-N 1 2 230.311 1.558 20 30 BDEDLO Cc1ncc(NC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC000328863244 386635708 /nfs/dbraw/zinc/63/57/08/386635708.db2.gz ZEGKKJKBLRFHKM-MRVPVSSYSA-N 1 2 241.316 1.370 20 30 BDEDLO Cc1ncc(NC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000328863244 386635711 /nfs/dbraw/zinc/63/57/11/386635711.db2.gz ZEGKKJKBLRFHKM-MRVPVSSYSA-N 1 2 241.316 1.370 20 30 BDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC1 ZINC000328891095 386641867 /nfs/dbraw/zinc/64/18/67/386641867.db2.gz SDOMUIMXQPNOGL-JTQLQIEISA-N 1 2 234.303 1.380 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cc(C)nn1C ZINC000417749481 386651699 /nfs/dbraw/zinc/65/16/99/386651699.db2.gz VBEKRRHSCQFIHK-UHFFFAOYSA-N 1 2 205.305 1.903 20 30 BDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cncs1 ZINC000328997439 386667097 /nfs/dbraw/zinc/66/70/97/386667097.db2.gz GTENLFPEHWWMGZ-QMMMGPOBSA-N 1 2 248.311 1.659 20 30 BDEDLO CC[C@H](C)[C@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000330457223 386720333 /nfs/dbraw/zinc/72/03/33/386720333.db2.gz OLNCCJIGFRHRDF-QPUJVOFHSA-N 1 2 239.319 1.820 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccoc1 ZINC000330628668 386824510 /nfs/dbraw/zinc/82/45/10/386824510.db2.gz ZIPQBBXIYGZDJF-JTQLQIEISA-N 1 2 238.287 1.305 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccoc1 ZINC000330628668 386824514 /nfs/dbraw/zinc/82/45/14/386824514.db2.gz ZIPQBBXIYGZDJF-JTQLQIEISA-N 1 2 238.287 1.305 20 30 BDEDLO N#C[C@H]1CCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000330744151 386878176 /nfs/dbraw/zinc/87/81/76/386878176.db2.gz DBKFXNWCTUENGU-ZJUUUORDSA-N 1 2 232.287 1.151 20 30 BDEDLO Cc1cc(NCCCOC(C)C)c(C#N)c[nH+]1 ZINC000399523119 386955424 /nfs/dbraw/zinc/95/54/24/386955424.db2.gz RGBCITVKIHQMPX-UHFFFAOYSA-N 1 2 233.315 1.911 20 30 BDEDLO CC(C)CCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000518986603 386972687 /nfs/dbraw/zinc/97/26/87/386972687.db2.gz SQVUXVRPKLWZHR-CYBMUJFWSA-N 1 2 239.363 1.773 20 30 BDEDLO COC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193095346 387066318 /nfs/dbraw/zinc/06/63/18/387066318.db2.gz UHUXOAJKWUQEKJ-UTLUCORTSA-N 1 2 210.277 1.220 20 30 BDEDLO Cc1cc(NCCC2(O)CCC2)c(C#N)c[nH+]1 ZINC000398990761 387035167 /nfs/dbraw/zinc/03/51/67/387035167.db2.gz LHUQIXPSXHUBRP-UHFFFAOYSA-N 1 2 231.299 1.401 20 30 BDEDLO Cc1cc(NC2CCS(=O)CC2)c(C#N)c[nH+]1 ZINC000399609370 387043483 /nfs/dbraw/zinc/04/34/83/387043483.db2.gz VYPVWNUYNTZCQX-UHFFFAOYSA-N 1 2 249.339 1.007 20 30 BDEDLO CO[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399404761 387016409 /nfs/dbraw/zinc/01/64/09/387016409.db2.gz TWKSUACLJLSZDG-LLVKDONJSA-N 1 2 217.272 1.487 20 30 BDEDLO CO[C@H](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399578279 387019447 /nfs/dbraw/zinc/01/94/47/387019447.db2.gz KWOFXVLITAEFPR-SNVBAGLBSA-N 1 2 219.288 1.521 20 30 BDEDLO C#CCn1ccc(C[N@H+](CC)CC#CC)n1 ZINC000279761487 533215074 /nfs/dbraw/zinc/21/50/74/533215074.db2.gz RKNIDVNFWDHIGY-UHFFFAOYSA-N 1 2 215.300 1.362 20 30 BDEDLO C#CCn1ccc(C[N@@H+](CC)CC#CC)n1 ZINC000279761487 533215078 /nfs/dbraw/zinc/21/50/78/533215078.db2.gz RKNIDVNFWDHIGY-UHFFFAOYSA-N 1 2 215.300 1.362 20 30 BDEDLO N#Cc1cnccc1N1CC(n2cc[nH+]c2)C1 ZINC000547835508 387301442 /nfs/dbraw/zinc/30/14/42/387301442.db2.gz MWRLNMPXULASFZ-UHFFFAOYSA-N 1 2 225.255 1.211 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000045911505 387513075 /nfs/dbraw/zinc/51/30/75/387513075.db2.gz BPDAUSKGOKFNGM-UHFFFAOYSA-N 1 2 236.702 1.844 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000045911505 387513079 /nfs/dbraw/zinc/51/30/79/387513079.db2.gz BPDAUSKGOKFNGM-UHFFFAOYSA-N 1 2 236.702 1.844 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626710768 387529313 /nfs/dbraw/zinc/52/93/13/387529313.db2.gz QDFAXFJIWDEKNG-GFCCVEGCSA-N 1 2 247.342 1.836 20 30 BDEDLO CC#CCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274259444 387465509 /nfs/dbraw/zinc/46/55/09/387465509.db2.gz BIGLHYNUCREKDO-LBPRGKRZSA-N 1 2 233.315 1.581 20 30 BDEDLO C#CC[N@@H+](Cc1occc1C(=O)OC)C1CC1 ZINC000274209829 387466196 /nfs/dbraw/zinc/46/61/96/387466196.db2.gz SUXHHNXKXQVUKJ-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO C#CC[N@H+](Cc1occc1C(=O)OC)C1CC1 ZINC000274209829 387466200 /nfs/dbraw/zinc/46/62/00/387466200.db2.gz SUXHHNXKXQVUKJ-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1csc(CC)n1 ZINC000289807416 387578021 /nfs/dbraw/zinc/57/80/21/387578021.db2.gz LKERSMVVKRONBY-MRVPVSSYSA-N 1 2 212.318 1.342 20 30 BDEDLO CC#CC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000157822652 387876682 /nfs/dbraw/zinc/87/66/82/387876682.db2.gz HOYJHQNVVHRALE-UHFFFAOYSA-N 1 2 219.288 1.760 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cnccc2C)nn1 ZINC000424175987 387884199 /nfs/dbraw/zinc/88/41/99/387884199.db2.gz WKPHUUDJZUNJHK-UHFFFAOYSA-N 1 2 243.314 1.457 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444737120 387918607 /nfs/dbraw/zinc/91/86/07/387918607.db2.gz WYECMICVLDYIPW-DTWKUNHWSA-N 1 2 236.237 1.535 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444737120 387918611 /nfs/dbraw/zinc/91/86/11/387918611.db2.gz WYECMICVLDYIPW-DTWKUNHWSA-N 1 2 236.237 1.535 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533089163 387950006 /nfs/dbraw/zinc/95/00/06/387950006.db2.gz KIAGXLOSHLCAEZ-ZWNOBZJWSA-N 1 2 246.314 1.254 20 30 BDEDLO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC(C)(C#N)C1 ZINC000453013020 387960170 /nfs/dbraw/zinc/96/01/70/387960170.db2.gz JKSVAMZZQCMOCY-OCCSQVGLSA-N 1 2 244.338 1.996 20 30 BDEDLO COC[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@H](C)O1 ZINC000439283979 387992470 /nfs/dbraw/zinc/99/24/70/387992470.db2.gz LATPHOOEILXGSC-QWRGUYRKSA-N 1 2 224.304 1.026 20 30 BDEDLO COC[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@H](C)O1 ZINC000439283979 387992474 /nfs/dbraw/zinc/99/24/74/387992474.db2.gz LATPHOOEILXGSC-QWRGUYRKSA-N 1 2 224.304 1.026 20 30 BDEDLO COC[C@H]1CC[N@H+]1C[C@H](C#N)CCC#N ZINC000339280202 135068409 /nfs/dbraw/zinc/06/84/09/135068409.db2.gz FZDAMHBOHPOYGN-WDEREUQCSA-N 1 2 207.277 1.151 20 30 BDEDLO CC[C@@H]1C[C@H](C[N@@H+](CC#N)CCOC)CCO1 ZINC000453603723 388091401 /nfs/dbraw/zinc/09/14/01/388091401.db2.gz YOGBMXBIFXKXIY-CHWSQXEVSA-N 1 2 240.347 1.664 20 30 BDEDLO CC[C@@H]1C[C@H](C[N@H+](CC#N)CCOC)CCO1 ZINC000453603723 388091404 /nfs/dbraw/zinc/09/14/04/388091404.db2.gz YOGBMXBIFXKXIY-CHWSQXEVSA-N 1 2 240.347 1.664 20 30 BDEDLO C=CCCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000447815019 388095555 /nfs/dbraw/zinc/09/55/55/388095555.db2.gz CVQUINWDEMGKQM-UHFFFAOYSA-N 1 2 249.362 1.861 20 30 BDEDLO C=CCCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000447815019 388095557 /nfs/dbraw/zinc/09/55/57/388095557.db2.gz CVQUINWDEMGKQM-UHFFFAOYSA-N 1 2 249.362 1.861 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000448911525 388120204 /nfs/dbraw/zinc/12/02/04/388120204.db2.gz PJKPBFVHBBOYMD-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000448911525 388120205 /nfs/dbraw/zinc/12/02/05/388120205.db2.gz PJKPBFVHBBOYMD-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C=C(C)CNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454836407 388136304 /nfs/dbraw/zinc/13/63/04/388136304.db2.gz LZCKUCGDTHZUSE-SNVBAGLBSA-N 1 2 236.319 1.839 20 30 BDEDLO C=C(C)CCNC(=O)NCc1[nH+]ccn1CC ZINC000455302194 388155329 /nfs/dbraw/zinc/15/53/29/388155329.db2.gz WAVVSDCVAMKEGS-UHFFFAOYSA-N 1 2 236.319 1.668 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OCC ZINC000449653915 388248910 /nfs/dbraw/zinc/24/89/10/388248910.db2.gz DAPRZCSEXRHQKD-TUAOUCFPSA-N 1 2 241.331 1.651 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H]1CCOC1)C(=O)OCC ZINC000449658027 388249743 /nfs/dbraw/zinc/24/97/43/388249743.db2.gz RWJWHGQYHFQYOR-MNOVXSKESA-N 1 2 227.304 1.263 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(C)n1C)C1CCCCC1 ZINC000490852628 388256785 /nfs/dbraw/zinc/25/67/85/388256785.db2.gz MIVUIBNPNMEVIM-UHFFFAOYSA-N 1 2 246.358 1.891 20 30 BDEDLO C#CC[N@H+](Cc1nnc(C)n1C)C1CCCCC1 ZINC000490852628 388256787 /nfs/dbraw/zinc/25/67/87/388256787.db2.gz MIVUIBNPNMEVIM-UHFFFAOYSA-N 1 2 246.358 1.891 20 30 BDEDLO C#CCN(CC#C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000490873169 388257479 /nfs/dbraw/zinc/25/74/79/388257479.db2.gz HWZOSFXSYCLSSB-FPLPWBNLSA-N 1 2 241.294 1.011 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncnn1CC ZINC000489430951 388214116 /nfs/dbraw/zinc/21/41/16/388214116.db2.gz HOZRPGAYWWFGLD-LLVKDONJSA-N 1 2 220.320 1.839 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncnn1CC ZINC000489430951 388214118 /nfs/dbraw/zinc/21/41/18/388214118.db2.gz HOZRPGAYWWFGLD-LLVKDONJSA-N 1 2 220.320 1.839 20 30 BDEDLO CCc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000459445223 388244507 /nfs/dbraw/zinc/24/45/07/388244507.db2.gz BPLLWKSRORXGOC-ONGXEEELSA-N 1 2 246.314 1.526 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC)CC(=C)C ZINC000490687912 388247543 /nfs/dbraw/zinc/24/75/43/388247543.db2.gz FPFWUGTZWJODMQ-UHFFFAOYSA-N 1 2 246.354 1.370 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC)CC(=C)C ZINC000490687912 388247545 /nfs/dbraw/zinc/24/75/45/388247545.db2.gz FPFWUGTZWJODMQ-UHFFFAOYSA-N 1 2 246.354 1.370 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000451605463 388283485 /nfs/dbraw/zinc/28/34/85/388283485.db2.gz KNBKXWQKKACKIP-AXFHLTTASA-N 1 2 241.331 1.650 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000491295925 388283620 /nfs/dbraw/zinc/28/36/20/388283620.db2.gz JYIGBCVXFYRBAD-NWDGAFQWSA-N 1 2 207.273 1.013 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC=CO1 ZINC000491295925 388283621 /nfs/dbraw/zinc/28/36/21/388283621.db2.gz JYIGBCVXFYRBAD-NWDGAFQWSA-N 1 2 207.273 1.013 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000491295926 388283646 /nfs/dbraw/zinc/28/36/46/388283646.db2.gz JYIGBCVXFYRBAD-RYUDHWBXSA-N 1 2 207.273 1.013 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000491295926 388283647 /nfs/dbraw/zinc/28/36/47/388283647.db2.gz JYIGBCVXFYRBAD-RYUDHWBXSA-N 1 2 207.273 1.013 20 30 BDEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC000491349824 388287430 /nfs/dbraw/zinc/28/74/30/388287430.db2.gz KJUMZNQUDDKVMP-LBPRGKRZSA-N 1 2 247.342 1.517 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000491465146 388296852 /nfs/dbraw/zinc/29/68/52/388296852.db2.gz VJJOEKIEPWHMBC-PWSUYJOCSA-N 1 2 234.343 1.544 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000491465146 388296854 /nfs/dbraw/zinc/29/68/54/388296854.db2.gz VJJOEKIEPWHMBC-PWSUYJOCSA-N 1 2 234.343 1.544 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCC(CC)(CC)C1=O ZINC000491535658 388302058 /nfs/dbraw/zinc/30/20/58/388302058.db2.gz DSWSKSLEEMXINC-GFCCVEGCSA-N 1 2 236.359 1.936 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CCC(CC)(CC)C1=O ZINC000491535658 388302059 /nfs/dbraw/zinc/30/20/59/388302059.db2.gz DSWSKSLEEMXINC-GFCCVEGCSA-N 1 2 236.359 1.936 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCOC(C)C ZINC000491545903 388302898 /nfs/dbraw/zinc/30/28/98/388302898.db2.gz SPJFVEKDMZTQIB-GFCCVEGCSA-N 1 2 211.305 1.136 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCOC(C)C ZINC000491545903 388302899 /nfs/dbraw/zinc/30/28/99/388302899.db2.gz SPJFVEKDMZTQIB-GFCCVEGCSA-N 1 2 211.305 1.136 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1scnc1C ZINC000491543978 388303203 /nfs/dbraw/zinc/30/32/03/388303203.db2.gz JDNXWLQAUSBOJC-NSHDSACASA-N 1 2 236.340 1.328 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1scnc1C ZINC000491543978 388303204 /nfs/dbraw/zinc/30/32/04/388303204.db2.gz JDNXWLQAUSBOJC-NSHDSACASA-N 1 2 236.340 1.328 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C)cc1 ZINC000491553484 388303411 /nfs/dbraw/zinc/30/34/11/388303411.db2.gz AHQLKXLUIQWLRX-CQSZACIVSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1 ZINC000491553484 388303412 /nfs/dbraw/zinc/30/34/12/388303412.db2.gz AHQLKXLUIQWLRX-CQSZACIVSA-N 1 2 215.296 1.829 20 30 BDEDLO C#CC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000491554274 388303483 /nfs/dbraw/zinc/30/34/83/388303483.db2.gz HSSFYNAHAQVCSM-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO C#CC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000491554274 388303484 /nfs/dbraw/zinc/30/34/84/388303484.db2.gz HSSFYNAHAQVCSM-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1cncs1 ZINC000491554797 388303564 /nfs/dbraw/zinc/30/35/64/388303564.db2.gz MFLXMOAOCQDREU-SNVBAGLBSA-N 1 2 222.313 1.020 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1cncs1 ZINC000491554797 388303565 /nfs/dbraw/zinc/30/35/65/388303565.db2.gz MFLXMOAOCQDREU-SNVBAGLBSA-N 1 2 222.313 1.020 20 30 BDEDLO C#C[C@H](CC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000491628186 388305994 /nfs/dbraw/zinc/30/59/94/388305994.db2.gz UUSQAUGWLLDBFB-CYBMUJFWSA-N 1 2 245.326 1.909 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cncc(OC)c1 ZINC000491654443 388308291 /nfs/dbraw/zinc/30/82/91/388308291.db2.gz FHKFXZKFHHNPGE-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cncc(OC)c1 ZINC000491654443 388308292 /nfs/dbraw/zinc/30/82/92/388308292.db2.gz FHKFXZKFHHNPGE-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000491677249 388310140 /nfs/dbraw/zinc/31/01/40/388310140.db2.gz XXCPEUDMUDWILN-VIFPVBQESA-N 1 2 225.723 1.883 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491682269 388310683 /nfs/dbraw/zinc/31/06/83/388310683.db2.gz RBCLDHMYZWMSKU-UHFFFAOYSA-N 1 2 242.278 1.410 20 30 BDEDLO C#CC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491682269 388310684 /nfs/dbraw/zinc/31/06/84/388310684.db2.gz RBCLDHMYZWMSKU-UHFFFAOYSA-N 1 2 242.278 1.410 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000491725390 388315129 /nfs/dbraw/zinc/31/51/29/388315129.db2.gz HRSIMGIBDQPPOS-SNVBAGLBSA-N 1 2 230.315 1.756 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000491725390 388315130 /nfs/dbraw/zinc/31/51/30/388315130.db2.gz HRSIMGIBDQPPOS-SNVBAGLBSA-N 1 2 230.315 1.756 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491754945 388318114 /nfs/dbraw/zinc/31/81/14/388318114.db2.gz WSVDTBBRNCZUAY-QWRGUYRKSA-N 1 2 248.330 1.627 20 30 BDEDLO C#CCN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000491810387 388322814 /nfs/dbraw/zinc/32/28/14/388322814.db2.gz ICABQVPLJVOYKV-UHFFFAOYSA-N 1 2 242.282 1.109 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000491815561 388323084 /nfs/dbraw/zinc/32/30/84/388323084.db2.gz FZIWAMPLABRBAL-QMMMGPOBSA-N 1 2 205.261 1.401 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000491815561 388323085 /nfs/dbraw/zinc/32/30/85/388323085.db2.gz FZIWAMPLABRBAL-QMMMGPOBSA-N 1 2 205.261 1.401 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccnn1-c1ccccc1 ZINC000491822151 388324131 /nfs/dbraw/zinc/32/41/31/388324131.db2.gz ZZBYOWSVNNRIBP-UHFFFAOYSA-N 1 2 249.317 1.941 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(CC(C)C)c1 ZINC000490950875 388261725 /nfs/dbraw/zinc/26/17/25/388261725.db2.gz UPJXILZHDHDTAW-UHFFFAOYSA-N 1 2 243.354 1.998 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn(CC(C)C)c1 ZINC000490950875 388261727 /nfs/dbraw/zinc/26/17/27/388261727.db2.gz UPJXILZHDHDTAW-UHFFFAOYSA-N 1 2 243.354 1.998 20 30 BDEDLO C#C[C@H](NC(=O)/C=C/c1[nH+]ccn1CC)C(C)C ZINC000490962129 388262425 /nfs/dbraw/zinc/26/24/25/388262425.db2.gz MITSKTNLDFTWLZ-GUOLPTJISA-N 1 2 245.326 1.690 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCCC[C@@H]1CC)C1CC1 ZINC000491230338 388278651 /nfs/dbraw/zinc/27/86/51/388278651.db2.gz MIEWHLJAUPXZTQ-ZDUSSCGKSA-N 1 2 248.370 1.875 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCCC[C@@H]1CC)C1CC1 ZINC000491230338 388278652 /nfs/dbraw/zinc/27/86/52/388278652.db2.gz MIEWHLJAUPXZTQ-ZDUSSCGKSA-N 1 2 248.370 1.875 20 30 BDEDLO C#C[C@H](CC)[NH2+][C@@H](CCC)C(=O)OCC ZINC000233358591 388346046 /nfs/dbraw/zinc/34/60/46/388346046.db2.gz FJCDTCNHFFNMLW-MNOVXSKESA-N 1 2 211.305 1.720 20 30 BDEDLO N#CCc1cc[nH+]c(NCc2cncnc2)c1 ZINC000545927816 388465841 /nfs/dbraw/zinc/46/58/41/388465841.db2.gz DXVBHTJGFKLCAN-UHFFFAOYSA-N 1 2 225.255 1.550 20 30 BDEDLO C[C@H](CNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000298304323 388607022 /nfs/dbraw/zinc/60/70/22/388607022.db2.gz NEWYLVAWCKMYHB-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO N#CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000082275295 388611369 /nfs/dbraw/zinc/61/13/69/388611369.db2.gz HTCPZPJNFODQOP-UHFFFAOYSA-N 1 2 226.239 1.929 20 30 BDEDLO N#CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000082275289 388611470 /nfs/dbraw/zinc/61/14/70/388611470.db2.gz DUAWXQPLWJMXEE-UHFFFAOYSA-N 1 2 226.239 1.724 20 30 BDEDLO COC(=O)C[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000299441060 388614505 /nfs/dbraw/zinc/61/45/05/388614505.db2.gz SOUZNTSXPKJKAA-UHFFFAOYSA-N 1 2 244.294 1.696 20 30 BDEDLO COC(=O)C[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000299441060 388614510 /nfs/dbraw/zinc/61/45/10/388614510.db2.gz SOUZNTSXPKJKAA-UHFFFAOYSA-N 1 2 244.294 1.696 20 30 BDEDLO N#CC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528784484 388572315 /nfs/dbraw/zinc/57/23/15/388572315.db2.gz OJFBCNUKCPQKOI-GDLVEWKHSA-N 1 2 238.356 1.276 20 30 BDEDLO N#CC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528784484 388572317 /nfs/dbraw/zinc/57/23/17/388572317.db2.gz OJFBCNUKCPQKOI-GDLVEWKHSA-N 1 2 238.356 1.276 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528791264 388573970 /nfs/dbraw/zinc/57/39/70/388573970.db2.gz CQKWMEMZWQDMSW-LLVKDONJSA-N 1 2 244.298 1.623 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528791264 388573972 /nfs/dbraw/zinc/57/39/72/388573972.db2.gz CQKWMEMZWQDMSW-LLVKDONJSA-N 1 2 244.298 1.623 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528790701 388574049 /nfs/dbraw/zinc/57/40/49/388574049.db2.gz MYBXBTMPRKMHAR-SNVBAGLBSA-N 1 2 218.260 1.233 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528790701 388574052 /nfs/dbraw/zinc/57/40/52/388574052.db2.gz MYBXBTMPRKMHAR-SNVBAGLBSA-N 1 2 218.260 1.233 20 30 BDEDLO CS(=O)(=O)CCC[N@H+](CCC#N)CC1CC1 ZINC000081514665 388580328 /nfs/dbraw/zinc/58/03/28/388580328.db2.gz VMFZNXZHWLORRE-UHFFFAOYSA-N 1 2 244.360 1.047 20 30 BDEDLO CS(=O)(=O)CCC[N@@H+](CCC#N)CC1CC1 ZINC000081514665 388580331 /nfs/dbraw/zinc/58/03/31/388580331.db2.gz VMFZNXZHWLORRE-UHFFFAOYSA-N 1 2 244.360 1.047 20 30 BDEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000521267568 388670893 /nfs/dbraw/zinc/67/08/93/388670893.db2.gz SDFQJSDESSTBMI-LBPRGKRZSA-N 1 2 219.263 1.887 20 30 BDEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000521267568 388670896 /nfs/dbraw/zinc/67/08/96/388670896.db2.gz SDFQJSDESSTBMI-LBPRGKRZSA-N 1 2 219.263 1.887 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(F)c1 ZINC000521950584 388671295 /nfs/dbraw/zinc/67/12/95/388671295.db2.gz OVZOJXRVYDESOC-ZDUSSCGKSA-N 1 2 249.289 1.399 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000521880884 388638555 /nfs/dbraw/zinc/63/85/55/388638555.db2.gz JEKJKJGYXYWABU-JQWIXIFHSA-N 1 2 234.303 1.643 20 30 BDEDLO C[C@H](C#N)CN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000530290096 388647283 /nfs/dbraw/zinc/64/72/83/388647283.db2.gz QEKZJSJTPWSFBX-SNVBAGLBSA-N 1 2 246.314 1.493 20 30 BDEDLO C[C@H](C#N)CN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000530290096 388647285 /nfs/dbraw/zinc/64/72/85/388647285.db2.gz QEKZJSJTPWSFBX-SNVBAGLBSA-N 1 2 246.314 1.493 20 30 BDEDLO C[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000414153041 388663775 /nfs/dbraw/zinc/66/37/75/388663775.db2.gz RPRVCIPMUPJQFM-SNVBAGLBSA-N 1 2 232.283 1.002 20 30 BDEDLO C=C(CC)C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000552656167 388734519 /nfs/dbraw/zinc/73/45/19/388734519.db2.gz GXHULSYBZIRTEV-UHFFFAOYSA-N 1 2 242.273 1.998 20 30 BDEDLO C=C(CC)C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000552656167 388734521 /nfs/dbraw/zinc/73/45/21/388734521.db2.gz GXHULSYBZIRTEV-UHFFFAOYSA-N 1 2 242.273 1.998 20 30 BDEDLO Cn1c[nH+]cc1CNc1n[nH]c(C2CC2)c1C#N ZINC000276962119 388744602 /nfs/dbraw/zinc/74/46/02/388744602.db2.gz VRWNNQXHVVPRFP-UHFFFAOYSA-N 1 2 242.286 1.504 20 30 BDEDLO CCC1(CC)[C@H]([NH2+]CC#N)[C@H](C)[C@H]1OC ZINC000248867485 388696812 /nfs/dbraw/zinc/69/68/12/388696812.db2.gz YZHWPZPEYJPYLO-HBNTYKKESA-N 1 2 210.321 1.939 20 30 BDEDLO CO[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425251928 388701857 /nfs/dbraw/zinc/70/18/57/388701857.db2.gz YQFXRBUQPAHBIH-SMDDNHRTSA-N 1 2 245.326 1.911 20 30 BDEDLO COC(=O)[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 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COC(=O)C[N@@H+](Cc1ccnc(C#N)c1)C(C)C ZINC000068760482 388716596 /nfs/dbraw/zinc/71/65/96/388716596.db2.gz VEPYXQMEXULTGA-UHFFFAOYSA-N 1 2 247.298 1.337 20 30 BDEDLO CCN(CC)c1ccc(C[NH2+]CCC#N)cn1 ZINC000566106055 388987927 /nfs/dbraw/zinc/98/79/27/388987927.db2.gz FOIQUXKLVHLPNP-UHFFFAOYSA-N 1 2 232.331 1.931 20 30 BDEDLO COCC[NH+]1CCN([C@@H](C)CCCC#N)CC1 ZINC001172496526 974845544 /nfs/dbraw/zinc/84/55/44/974845544.db2.gz NQEPJHIPUHGPHO-ZDUSSCGKSA-N 1 2 239.363 1.333 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492907363 533391371 /nfs/dbraw/zinc/39/13/71/533391371.db2.gz CTLXHQJBXAWAJC-TYRPZCRBSA-N 1 2 218.260 1.183 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329055274 133961561 /nfs/dbraw/zinc/96/15/61/133961561.db2.gz XOVLXKNOHZYQOW-DCAQKATOSA-N 1 2 249.314 1.579 20 30 BDEDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1CCC#N ZINC000332058534 134003713 /nfs/dbraw/zinc/00/37/13/134003713.db2.gz XYEWICXPGUKLBS-NSHDSACASA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1CCC#N ZINC000332058534 134003714 /nfs/dbraw/zinc/00/37/14/134003714.db2.gz XYEWICXPGUKLBS-NSHDSACASA-N 1 2 223.320 1.137 20 30 BDEDLO Cc1ccc(NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(C)[nH+]1 ZINC000330356146 134005930 /nfs/dbraw/zinc/00/59/30/134005930.db2.gz RILRJJKJCNVLSR-IAZYJMLFSA-N 1 2 247.298 1.478 20 30 BDEDLO Cc1cc(NC(=O)NCC(C)(C)C#N)cc[nH+]1 ZINC000335964931 134028179 /nfs/dbraw/zinc/02/81/79/134028179.db2.gz UDHZECYMYZHUHO-UHFFFAOYSA-N 1 2 232.287 1.483 20 30 BDEDLO CC[C@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330473228 134090858 /nfs/dbraw/zinc/09/08/58/134090858.db2.gz GCMRNJLAJPLOPC-MRVPVSSYSA-N 1 2 211.265 1.184 20 30 BDEDLO CS[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000336210153 134133971 /nfs/dbraw/zinc/13/39/71/134133971.db2.gz MIYVDKPPAGMBAL-VIFPVBQESA-N 1 2 239.369 1.952 20 30 BDEDLO CS[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000336210153 134133972 /nfs/dbraw/zinc/13/39/72/134133972.db2.gz MIYVDKPPAGMBAL-VIFPVBQESA-N 1 2 239.369 1.952 20 30 BDEDLO C[C@H](C#N)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000336285965 134142113 /nfs/dbraw/zinc/14/21/13/134142113.db2.gz XFTBDVDGJOBPNY-SNVBAGLBSA-N 1 2 246.314 1.337 20 30 BDEDLO C[C@@H](C#N)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000336285964 134142302 /nfs/dbraw/zinc/14/23/02/134142302.db2.gz XFTBDVDGJOBPNY-JTQLQIEISA-N 1 2 246.314 1.337 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336384072 134145917 /nfs/dbraw/zinc/14/59/17/134145917.db2.gz IAPCSSNJIVQPJV-GHMZBOCLSA-N 1 2 246.314 1.064 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000336516709 134148838 /nfs/dbraw/zinc/14/88/38/134148838.db2.gz IYLXPYQCTLOKHX-LLVKDONJSA-N 1 2 206.289 1.401 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000336516709 134148839 /nfs/dbraw/zinc/14/88/39/134148839.db2.gz IYLXPYQCTLOKHX-LLVKDONJSA-N 1 2 206.289 1.401 20 30 BDEDLO CC#CCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000336544856 134149438 /nfs/dbraw/zinc/14/94/38/134149438.db2.gz WEOSJYAHUISKLO-YABSGUDNSA-N 1 2 213.346 1.241 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/nfs/dbraw/zinc/02/11/75/135021175.db2.gz IARRUIRDMUXCCK-MWLCHTKSSA-N 1 2 246.314 1.345 20 30 BDEDLO CCN(CC[N@@H+]1CCOC[C@H]1C)C[C@H](C)C#N ZINC000249088126 135032164 /nfs/dbraw/zinc/03/21/64/135032164.db2.gz UEHPKZZDOWBBTR-CHWSQXEVSA-N 1 2 239.363 1.189 20 30 BDEDLO CCN(CC[N@H+]1CCOC[C@H]1C)C[C@H](C)C#N ZINC000249088126 135032165 /nfs/dbraw/zinc/03/21/65/135032165.db2.gz UEHPKZZDOWBBTR-CHWSQXEVSA-N 1 2 239.363 1.189 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000249892213 135047670 /nfs/dbraw/zinc/04/76/70/135047670.db2.gz SKMLLDXEHBDSTO-MNOVXSKESA-N 1 2 225.336 1.383 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000249892213 135047671 /nfs/dbraw/zinc/04/76/71/135047671.db2.gz SKMLLDXEHBDSTO-MNOVXSKESA-N 1 2 225.336 1.383 20 30 BDEDLO CCC[C@](C)([NH2+]CCOCCC#N)C(=O)OC ZINC000339001909 135051176 /nfs/dbraw/zinc/05/11/76/135051176.db2.gz QIBYEVZEKRHHGH-LBPRGKRZSA-N 1 2 242.319 1.238 20 30 BDEDLO C=CCOCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000339197270 135066727 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/nfs/dbraw/zinc/19/70/77/135197077.db2.gz KCMMGAZHFMKUMR-CYBMUJFWSA-N 1 2 231.295 1.990 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1CC1 ZINC000042449499 135220215 /nfs/dbraw/zinc/22/02/15/135220215.db2.gz FBRAUSAHDUYBJJ-UWVGGRQHSA-N 1 2 223.320 1.135 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1CC1 ZINC000042449499 135220216 /nfs/dbraw/zinc/22/02/16/135220216.db2.gz FBRAUSAHDUYBJJ-UWVGGRQHSA-N 1 2 223.320 1.135 20 30 BDEDLO C=CC[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000121174366 135222963 /nfs/dbraw/zinc/22/29/63/135222963.db2.gz NBASEYLRFMWYMI-UHFFFAOYSA-N 1 2 239.340 1.578 20 30 BDEDLO C=CC[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000121174366 135222964 /nfs/dbraw/zinc/22/29/64/135222964.db2.gz NBASEYLRFMWYMI-UHFFFAOYSA-N 1 2 239.340 1.578 20 30 BDEDLO C=CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000121226515 135222990 /nfs/dbraw/zinc/22/29/90/135222990.db2.gz MMAAZERDJKMGPP-LLVKDONJSA-N 1 2 222.263 1.470 20 30 BDEDLO C=CC[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000121226515 135222991 /nfs/dbraw/zinc/22/29/91/135222991.db2.gz MMAAZERDJKMGPP-LLVKDONJSA-N 1 2 222.263 1.470 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121489798 135223501 /nfs/dbraw/zinc/22/35/01/135223501.db2.gz ZICDICLFNDPWSS-UHFFFAOYSA-N 1 2 242.750 1.683 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121489798 135223504 /nfs/dbraw/zinc/22/35/04/135223504.db2.gz ZICDICLFNDPWSS-UHFFFAOYSA-N 1 2 242.750 1.683 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000121495116 135223795 /nfs/dbraw/zinc/22/37/95/135223795.db2.gz CXXBSCXVZAXYBP-UHFFFAOYSA-N 1 2 246.310 1.946 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000121495116 135223796 /nfs/dbraw/zinc/22/37/96/135223796.db2.gz CXXBSCXVZAXYBP-UHFFFAOYSA-N 1 2 246.310 1.946 20 30 BDEDLO C=CCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000121471999 135223931 /nfs/dbraw/zinc/22/39/31/135223931.db2.gz WHJRZZSTNJFHSU-UHFFFAOYSA-N 1 2 247.298 1.281 20 30 BDEDLO C=CCCC[C@H](C)[N@H+](C)Cc1nnc[nH]1 ZINC000340867075 135230796 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ZINC000596325869 397999903 /nfs/dbraw/zinc/99/99/03/397999903.db2.gz OSERCGITNJQQNC-VIFPVBQESA-N 1 2 247.302 1.197 20 30 BDEDLO COc1c(N)nc[nH+]c1N1CCC[C@@H](CC#N)C1 ZINC000596325869 397999907 /nfs/dbraw/zinc/99/99/07/397999907.db2.gz OSERCGITNJQQNC-VIFPVBQESA-N 1 2 247.302 1.197 20 30 BDEDLO C=C(CC)C[NH2+]C1(C(=O)OC)CCOCC1 ZINC000451768138 397980648 /nfs/dbraw/zinc/98/06/48/397980648.db2.gz HIZDMADWXMWQEB-UHFFFAOYSA-N 1 2 227.304 1.264 20 30 BDEDLO C#C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)C ZINC000491714887 398063011 /nfs/dbraw/zinc/06/30/11/398063011.db2.gz IAEGIQNCGDLTOE-LLVKDONJSA-N 1 2 222.332 1.102 20 30 BDEDLO C#CCN(CC#CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491763574 398065491 /nfs/dbraw/zinc/06/54/91/398065491.db2.gz ADDXCHKKUVIRGX-CYBMUJFWSA-N 1 2 243.310 1.319 20 30 BDEDLO C#CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000491640728 398052744 /nfs/dbraw/zinc/05/27/44/398052744.db2.gz YULXZTVZYUBHMA-OCCSQVGLSA-N 1 2 248.370 1.779 20 30 BDEDLO C#CC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000491640728 398052746 /nfs/dbraw/zinc/05/27/46/398052746.db2.gz YULXZTVZYUBHMA-OCCSQVGLSA-N 1 2 248.370 1.779 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000192238659 398107392 /nfs/dbraw/zinc/10/73/92/398107392.db2.gz CDWUQTCBSLOKBW-LBPRGKRZSA-N 1 2 224.348 1.444 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000192238659 398107394 /nfs/dbraw/zinc/10/73/94/398107394.db2.gz CDWUQTCBSLOKBW-LBPRGKRZSA-N 1 2 224.348 1.444 20 30 BDEDLO C#CCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000268032083 166145283 /nfs/dbraw/zinc/14/52/83/166145283.db2.gz OIWKTZYFBBXLTE-UHFFFAOYSA-N 1 2 217.272 1.843 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000299241103 409822096 /nfs/dbraw/zinc/82/20/96/409822096.db2.gz KBBHUSWZFGJSPK-NSHDSACASA-N 1 2 245.278 1.696 20 30 BDEDLO C=CC[N@H+](Cc1nnc(C)[nH]1)[C@H](C)COC ZINC000661241328 410402183 /nfs/dbraw/zinc/40/21/83/410402183.db2.gz VVMMKQPNVNRNQT-SECBINFHSA-N 1 2 224.308 1.136 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(C)[nH]1)[C@H](C)COC ZINC000661241328 410402186 /nfs/dbraw/zinc/40/21/86/410402186.db2.gz VVMMKQPNVNRNQT-SECBINFHSA-N 1 2 224.308 1.136 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000192233078 166159732 /nfs/dbraw/zinc/15/97/32/166159732.db2.gz PFFWJOVTATWZKV-LLVKDONJSA-N 1 2 216.284 1.579 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000192233078 166159733 /nfs/dbraw/zinc/15/97/33/166159733.db2.gz PFFWJOVTATWZKV-LLVKDONJSA-N 1 2 216.284 1.579 20 30 BDEDLO C#CC[N@@H+]([C@@H](C)C(=O)OCCC)C1CC1 ZINC000274204428 166160793 /nfs/dbraw/zinc/16/07/93/166160793.db2.gz SAFWTELLKQWRTH-JTQLQIEISA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@H+]([C@@H](C)C(=O)OCCC)C1CC1 ZINC000274204428 166160795 /nfs/dbraw/zinc/16/07/95/166160795.db2.gz SAFWTELLKQWRTH-JTQLQIEISA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279514401 166169237 /nfs/dbraw/zinc/16/92/37/166169237.db2.gz QHSLJSREPVAZBC-JTQLQIEISA-N 1 2 219.288 1.507 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279514401 166169239 /nfs/dbraw/zinc/16/92/39/166169239.db2.gz QHSLJSREPVAZBC-JTQLQIEISA-N 1 2 219.288 1.507 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000276508721 166258711 /nfs/dbraw/zinc/25/87/11/166258711.db2.gz XCXDWPQRHNITQS-UHFFFAOYSA-N 1 2 243.314 1.670 20 30 BDEDLO C=CCC[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000276508721 166258713 /nfs/dbraw/zinc/25/87/13/166258713.db2.gz XCXDWPQRHNITQS-UHFFFAOYSA-N 1 2 243.314 1.670 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC(C)C)C1CC1 ZINC000272051470 166326512 /nfs/dbraw/zinc/32/65/12/166326512.db2.gz UMSFVKPEEKGVAF-UHFFFAOYSA-N 1 2 211.305 1.836 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC(C)C)C1CC1 ZINC000272051470 166326515 /nfs/dbraw/zinc/32/65/15/166326515.db2.gz UMSFVKPEEKGVAF-UHFFFAOYSA-N 1 2 211.305 1.836 20 30 BDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483755 166387402 /nfs/dbraw/zinc/38/74/02/166387402.db2.gz JADKINRMVKCVCM-JTQLQIEISA-N 1 2 239.294 1.005 20 30 BDEDLO C=CCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661564536 410844780 /nfs/dbraw/zinc/84/47/80/410844780.db2.gz AGROWMWTSACWLU-SECBINFHSA-N 1 2 222.292 1.356 20 30 BDEDLO C=CCCn1cc(COCc2[nH]cc[nH+]2)nn1 ZINC000655496933 410950033 /nfs/dbraw/zinc/95/00/33/410950033.db2.gz LYSNTFCGTLTCPR-UHFFFAOYSA-N 1 2 233.275 1.294 20 30 BDEDLO COC1(C[NH+]2CC(C)(C#N)C2)CCCC1 ZINC000334518457 411132000 /nfs/dbraw/zinc/13/20/00/411132000.db2.gz HELMSBRAIJGZPP-UHFFFAOYSA-N 1 2 208.305 1.791 20 30 BDEDLO COCC[N@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000163441128 411182722 /nfs/dbraw/zinc/18/27/22/411182722.db2.gz LGLKJWSJKMOHSW-UHFFFAOYSA-N 1 2 248.326 1.541 20 30 BDEDLO COCC[N@@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000163441128 411182724 /nfs/dbraw/zinc/18/27/24/411182724.db2.gz LGLKJWSJKMOHSW-UHFFFAOYSA-N 1 2 248.326 1.541 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000192234745 411186270 /nfs/dbraw/zinc/18/62/70/411186270.db2.gz HGUKCWPAIYVHQI-UHFFFAOYSA-N 1 2 242.322 1.136 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000192234745 411186274 /nfs/dbraw/zinc/18/62/74/411186274.db2.gz HGUKCWPAIYVHQI-UHFFFAOYSA-N 1 2 242.322 1.136 20 30 BDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343316863 411189730 /nfs/dbraw/zinc/18/97/30/411189730.db2.gz UDBODFYCWSHVHV-LBPRGKRZSA-N 1 2 249.358 1.623 20 30 BDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343316863 411189734 /nfs/dbraw/zinc/18/97/34/411189734.db2.gz UDBODFYCWSHVHV-LBPRGKRZSA-N 1 2 249.358 1.623 20 30 BDEDLO CC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000061954165 411211119 /nfs/dbraw/zinc/21/11/19/411211119.db2.gz YRRRZWAGPOLPAI-UHFFFAOYSA-N 1 2 202.257 1.579 20 30 BDEDLO CC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000061954165 411211123 /nfs/dbraw/zinc/21/11/23/411211123.db2.gz YRRRZWAGPOLPAI-UHFFFAOYSA-N 1 2 202.257 1.579 20 30 BDEDLO C=C(CC)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000656453770 411275782 /nfs/dbraw/zinc/27/57/82/411275782.db2.gz VXTKJOOVMFPEJX-UHFFFAOYSA-N 1 2 217.276 1.489 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cc(OC)no1 ZINC000659838952 411319707 /nfs/dbraw/zinc/31/97/07/411319707.db2.gz QDGASHKTMVNPSS-UHFFFAOYSA-N 1 2 208.261 1.857 20 30 BDEDLO CCC(C#N)(CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000062255377 168260326 /nfs/dbraw/zinc/26/03/26/168260326.db2.gz DECKWELVAMLWRB-UHFFFAOYSA-N 1 2 248.330 1.708 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654884197 411460289 /nfs/dbraw/zinc/46/02/89/411460289.db2.gz ZNDZUYZFNDTRCY-DTWKUNHWSA-N 1 2 207.277 1.279 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654884197 411460292 /nfs/dbraw/zinc/46/02/92/411460292.db2.gz ZNDZUYZFNDTRCY-DTWKUNHWSA-N 1 2 207.277 1.279 20 30 BDEDLO C=CCCn1cc(C[NH2+][C@@H](C)CF)nn1 ZINC000657466394 411519835 /nfs/dbraw/zinc/51/98/35/411519835.db2.gz ICKORFIYHLVBOC-VIFPVBQESA-N 1 2 212.272 1.302 20 30 BDEDLO CCOC1C[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000297466669 170336708 /nfs/dbraw/zinc/33/67/08/170336708.db2.gz QURTXVQINHHTNY-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO CCOCC[N@H+](CC)Cc1nc(C#N)cs1 ZINC000356091737 170396481 /nfs/dbraw/zinc/39/64/81/170396481.db2.gz UAKBNAINJIZWCU-UHFFFAOYSA-N 1 2 239.344 1.873 20 30 BDEDLO CCOCC[N@@H+](CC)Cc1nc(C#N)cs1 ZINC000356091737 170396483 /nfs/dbraw/zinc/39/64/83/170396483.db2.gz UAKBNAINJIZWCU-UHFFFAOYSA-N 1 2 239.344 1.873 20 30 BDEDLO C=CCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660731224 411619501 /nfs/dbraw/zinc/61/95/01/411619501.db2.gz COFRGVQMDZXMOY-UHFFFAOYSA-N 1 2 217.334 1.072 20 30 BDEDLO C=CC[N@@H+](Cc1nc(CC)no1)[C@H](C)COC ZINC000661246461 411739338 /nfs/dbraw/zinc/73/93/38/411739338.db2.gz JDCGGAZAXSOEDN-SNVBAGLBSA-N 1 2 239.319 1.655 20 30 BDEDLO C=CC[N@H+](Cc1nc(CC)no1)[C@H](C)COC ZINC000661246461 411739339 /nfs/dbraw/zinc/73/93/39/411739339.db2.gz JDCGGAZAXSOEDN-SNVBAGLBSA-N 1 2 239.319 1.655 20 30 BDEDLO C=C(CC)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661291849 411748674 /nfs/dbraw/zinc/74/86/74/411748674.db2.gz KYQKLAKXPNMANT-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO C=C(CC)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661291849 411748679 /nfs/dbraw/zinc/74/86/79/411748679.db2.gz KYQKLAKXPNMANT-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO C=CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000665946460 487620656 /nfs/dbraw/zinc/62/06/56/487620656.db2.gz ZCGRWTKQIDPDLT-NSHDSACASA-N 1 2 248.330 1.875 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC000662166197 412014850 /nfs/dbraw/zinc/01/48/50/412014850.db2.gz VDWKTSXONCIFBN-SECBINFHSA-N 1 2 224.304 1.609 20 30 BDEDLO Cn1ncc2c1nc(N)[nH+]c2NCCCCC#N ZINC000519650732 411957160 /nfs/dbraw/zinc/95/71/60/411957160.db2.gz PIIMRKZTRAYYLO-UHFFFAOYSA-N 1 2 245.290 1.051 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662259935 412052985 /nfs/dbraw/zinc/05/29/85/412052985.db2.gz FAVXNUCFVCHXMX-JTQLQIEISA-N 1 2 241.360 1.605 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662259935 412052986 /nfs/dbraw/zinc/05/29/86/412052986.db2.gz FAVXNUCFVCHXMX-JTQLQIEISA-N 1 2 241.360 1.605 20 30 BDEDLO CC(C)(Nc1ccc(C#N)nn1)c1[nH]cc[nH+]1 ZINC000603406126 412258074 /nfs/dbraw/zinc/25/80/74/412258074.db2.gz HFZBTEOQXYYIBC-UHFFFAOYSA-N 1 2 228.259 1.419 20 30 BDEDLO N#CCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000611687777 412227554 /nfs/dbraw/zinc/22/75/54/412227554.db2.gz FARHJLPESILILP-UHFFFAOYSA-N 1 2 248.286 1.239 20 30 BDEDLO C[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000336305160 173071687 /nfs/dbraw/zinc/07/16/87/173071687.db2.gz QXQWMNIHWKLWHK-UHFFFAOYSA-N 1 2 235.312 1.007 20 30 BDEDLO CNc1ccc(Nc2nc(C)ccc2C#N)c[nH+]1 ZINC000341722001 173209554 /nfs/dbraw/zinc/20/95/54/173209554.db2.gz MUKHFDPMOORAGN-UHFFFAOYSA-N 1 2 239.282 1.864 20 30 BDEDLO COc1cc(C#N)ccc1OCCn1cc[nH+]c1 ZINC000020253681 174943961 /nfs/dbraw/zinc/94/39/61/174943961.db2.gz CGFQXDJLBZNIDY-UHFFFAOYSA-N 1 2 243.266 1.842 20 30 BDEDLO COc1cc[nH+]cc1Cn1ccc(C#N)c1 ZINC000336442732 175373005 /nfs/dbraw/zinc/37/30/05/175373005.db2.gz IODZMYXNPAPWEG-UHFFFAOYSA-N 1 2 213.240 1.812 20 30 BDEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)CC1(C#N)CC1 ZINC000348925335 176037092 /nfs/dbraw/zinc/03/70/92/176037092.db2.gz CDQSUXYCVLFDEN-JTQLQIEISA-N 1 2 218.304 1.717 20 30 BDEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000348925335 176037094 /nfs/dbraw/zinc/03/70/94/176037094.db2.gz CDQSUXYCVLFDEN-JTQLQIEISA-N 1 2 218.304 1.717 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CO)C1 ZINC000275588701 177035407 /nfs/dbraw/zinc/03/54/07/177035407.db2.gz JPSFBOAYISMJAI-BXUZGUMPSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](CO)C1 ZINC000275588701 177035408 /nfs/dbraw/zinc/03/54/08/177035408.db2.gz JPSFBOAYISMJAI-BXUZGUMPSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191243042 177260624 /nfs/dbraw/zinc/26/06/24/177260624.db2.gz GMBQVPOZVCEVKX-MNOVXSKESA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191243042 177260626 /nfs/dbraw/zinc/26/06/26/177260626.db2.gz GMBQVPOZVCEVKX-MNOVXSKESA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000019475746 177263632 /nfs/dbraw/zinc/26/36/32/177263632.db2.gz JJHPZGZTANACGK-NSHDSACASA-N 1 2 216.284 1.779 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000019475746 177263633 /nfs/dbraw/zinc/26/36/33/177263633.db2.gz JJHPZGZTANACGK-NSHDSACASA-N 1 2 216.284 1.779 20 30 BDEDLO N#CCCN(CCC#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493166968 226144486 /nfs/dbraw/zinc/14/44/86/226144486.db2.gz ZNMWIQSLZANYRU-ONEGZZNKSA-N 1 2 243.270 1.079 20 30 BDEDLO Cc1cc(N(C)[C@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000401382658 226355818 /nfs/dbraw/zinc/35/58/18/226355818.db2.gz LUKKBFLVCRDVFQ-LBPRGKRZSA-N 1 2 231.299 1.877 20 30 BDEDLO C=C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000674954692 487660983 /nfs/dbraw/zinc/66/09/83/487660983.db2.gz AJNUYSJXGMQCOR-JTQLQIEISA-N 1 2 207.277 1.354 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668854984 487667766 /nfs/dbraw/zinc/66/77/66/487667766.db2.gz RNMCRBKMJCYQQC-HBNTYKKESA-N 1 2 233.315 1.604 20 30 BDEDLO Cc1cc(N(C)CCCCCO)c(C#N)c[nH+]1 ZINC000398993835 262773099 /nfs/dbraw/zinc/77/30/99/262773099.db2.gz NFUUSJDXJDXYHR-UHFFFAOYSA-N 1 2 233.315 1.861 20 30 BDEDLO Cc1cc(NC[C@H]2CC[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000398963482 267300054 /nfs/dbraw/zinc/30/00/54/267300054.db2.gz OWHORXDLWYYMQN-CMPLNLGQSA-N 1 2 231.299 1.257 20 30 BDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884165 487813009 /nfs/dbraw/zinc/81/30/09/487813009.db2.gz LFBXLEWWVSHZNV-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884165 487813017 /nfs/dbraw/zinc/81/30/17/487813017.db2.gz LFBXLEWWVSHZNV-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000595609155 487872083 /nfs/dbraw/zinc/87/20/83/487872083.db2.gz HCLYTKXVNJZPEZ-SNVBAGLBSA-N 1 2 246.318 1.134 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000595609155 487872089 /nfs/dbraw/zinc/87/20/89/487872089.db2.gz HCLYTKXVNJZPEZ-SNVBAGLBSA-N 1 2 246.318 1.134 20 30 BDEDLO C=C(CC)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682033318 487885177 /nfs/dbraw/zinc/88/51/77/487885177.db2.gz DESSPQYGPARRHR-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=C(CC)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682033318 487885180 /nfs/dbraw/zinc/88/51/80/487885180.db2.gz DESSPQYGPARRHR-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676793382 487931310 /nfs/dbraw/zinc/93/13/10/487931310.db2.gz ZDZHQCSPSODYST-LLVKDONJSA-N 1 2 221.304 1.095 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676793382 487931314 /nfs/dbraw/zinc/93/13/14/487931314.db2.gz ZDZHQCSPSODYST-LLVKDONJSA-N 1 2 221.304 1.095 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOC[C@@H]1CCCO1 ZINC000562362855 323017684 /nfs/dbraw/zinc/01/76/84/323017684.db2.gz FBYUSOZWHNYLOI-ZDUSSCGKSA-N 1 2 238.331 1.584 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOC[C@@H]1CCCO1 ZINC000562362855 323017685 /nfs/dbraw/zinc/01/76/85/323017685.db2.gz FBYUSOZWHNYLOI-ZDUSSCGKSA-N 1 2 238.331 1.584 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000570056087 323048775 /nfs/dbraw/zinc/04/87/75/323048775.db2.gz BIESJXUXLCSIHN-VXNVDRBHSA-N 1 2 207.281 1.456 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570579475 323063769 /nfs/dbraw/zinc/06/37/69/323063769.db2.gz WTYILASIENAARY-SNVBAGLBSA-N 1 2 217.272 1.174 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000570579475 323063770 /nfs/dbraw/zinc/06/37/70/323063770.db2.gz WTYILASIENAARY-SNVBAGLBSA-N 1 2 217.272 1.174 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)N1CCCCC1 ZINC000570675963 323066830 /nfs/dbraw/zinc/06/68/30/323066830.db2.gz WMFNEBIEALNSAW-LBPRGKRZSA-N 1 2 248.330 1.032 20 30 BDEDLO C[C@H]1C[C@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000570927377 323074434 /nfs/dbraw/zinc/07/44/34/323074434.db2.gz MMAQZURMNISSLW-WDEREUQCSA-N 1 2 208.305 1.647 20 30 BDEDLO CCOc1cccc(C[NH2+]C[C@@H](C)C#N)n1 ZINC000309903355 323121598 /nfs/dbraw/zinc/12/15/98/323121598.db2.gz IVRLZSWHVCCCTL-JTQLQIEISA-N 1 2 219.288 1.730 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](CC(C)C)C(=O)OCC ZINC000339763535 323121636 /nfs/dbraw/zinc/12/16/36/323121636.db2.gz NVPVTXVPPRWQMV-GFCCVEGCSA-N 1 2 225.332 1.919 20 30 BDEDLO CC#CC[N@H+](C)[C@H](CC(C)C)C(=O)OCC ZINC000339763535 323121637 /nfs/dbraw/zinc/12/16/37/323121637.db2.gz NVPVTXVPPRWQMV-GFCCVEGCSA-N 1 2 225.332 1.919 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000075886978 323173235 /nfs/dbraw/zinc/17/32/35/323173235.db2.gz KSHPCNJXXYLWPL-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO C=CC[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000075886978 323173236 /nfs/dbraw/zinc/17/32/36/323173236.db2.gz KSHPCNJXXYLWPL-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO Cc1nsc(N2CC(n3cc[nH+]c3)C2)c1C#N ZINC000563911709 323319178 /nfs/dbraw/zinc/31/91/78/323319178.db2.gz SEWFOZNUFLQZBG-UHFFFAOYSA-N 1 2 245.311 1.581 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N(C(C)C)C(C)C ZINC000076185703 487958808 /nfs/dbraw/zinc/95/88/08/487958808.db2.gz MTEPWZIIDJAMOX-UHFFFAOYSA-N 1 2 234.343 1.200 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1c1nc(C[NH2+]C)no1 ZINC000572511149 324137509 /nfs/dbraw/zinc/13/75/09/324137509.db2.gz ROGDRZGILAKFKF-BDAKNGLRSA-N 1 2 223.276 1.238 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(C(=O)NC)c1 ZINC000076185848 325335102 /nfs/dbraw/zinc/33/51/02/325335102.db2.gz AQELVTCLBBYFAH-UHFFFAOYSA-N 1 2 240.306 1.115 20 30 BDEDLO C=C(C)CN(CC)C(=O)Cc1c[nH+]cn1C ZINC000547926924 325411925 /nfs/dbraw/zinc/41/19/25/325411925.db2.gz AKUXKNLXZSKPKY-UHFFFAOYSA-N 1 2 221.304 1.387 20 30 BDEDLO C[C@@H](CNc1ccncc1C#N)Cn1cc[nH+]c1 ZINC000548481304 325462354 /nfs/dbraw/zinc/46/23/54/325462354.db2.gz MQPRVWVLVOTLOA-NSHDSACASA-N 1 2 241.298 1.320 20 30 BDEDLO CCc1nocc1C[NH2+]CC1(C#N)CC1 ZINC000552215494 325610258 /nfs/dbraw/zinc/61/02/58/325610258.db2.gz GGXNUIUYOFFZGS-UHFFFAOYSA-N 1 2 205.261 1.630 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CCO)c1ccco1 ZINC000567048742 326104489 /nfs/dbraw/zinc/10/44/89/326104489.db2.gz PJKUWDBJVJKYFT-RYUDHWBXSA-N 1 2 247.298 1.736 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CCO)c1ccco1 ZINC000567048740 326106177 /nfs/dbraw/zinc/10/61/77/326106177.db2.gz PJKUWDBJVJKYFT-NEPJUHHUSA-N 1 2 247.298 1.736 20 30 BDEDLO C=CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC000567404983 326184731 /nfs/dbraw/zinc/18/47/31/326184731.db2.gz OTDUTJWONTZFKB-UHFFFAOYSA-N 1 2 235.331 1.825 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000567855918 326271682 /nfs/dbraw/zinc/27/16/82/326271682.db2.gz IWWLJEJAVXKRJZ-UHFFFAOYSA-N 1 2 227.311 1.964 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC12CCCC2 ZINC000567995352 326293872 /nfs/dbraw/zinc/29/38/72/326293872.db2.gz IFATUTVSANUBAR-WCQYABFASA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572965429 326421614 /nfs/dbraw/zinc/42/16/14/326421614.db2.gz ONSMZSFPZKDXKY-CMPLNLGQSA-N 1 2 225.336 1.239 20 30 BDEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000653616843 487982964 /nfs/dbraw/zinc/98/29/64/487982964.db2.gz HSVDSDLNHXKWCN-JTQLQIEISA-N 1 2 246.318 1.428 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1nccs1 ZINC000293348524 488012396 /nfs/dbraw/zinc/01/23/96/488012396.db2.gz ZDFJXPRGJAQLEF-UHFFFAOYSA-N 1 2 223.301 1.037 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nccs1 ZINC000293348524 488012403 /nfs/dbraw/zinc/01/24/03/488012403.db2.gz ZDFJXPRGJAQLEF-UHFFFAOYSA-N 1 2 223.301 1.037 20 30 BDEDLO C=C[C@@H](O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000667652817 488075492 /nfs/dbraw/zinc/07/54/92/488075492.db2.gz KEKIMQRIOVRTJX-VHSXEESVSA-N 1 2 235.287 1.010 20 30 BDEDLO C=C[C@@H](O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000667652815 488075835 /nfs/dbraw/zinc/07/58/35/488075835.db2.gz KEKIMQRIOVRTJX-NXEZZACHSA-N 1 2 235.287 1.010 20 30 BDEDLO C=CCN(Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000667981089 488175251 /nfs/dbraw/zinc/17/52/51/488175251.db2.gz BIYJENQOAXOFHH-UHFFFAOYSA-N 1 2 217.316 1.980 20 30 BDEDLO C=CC[N@H+](CC(=O)Nc1ccon1)C1CC1 ZINC000678537072 488265000 /nfs/dbraw/zinc/26/50/00/488265000.db2.gz AFIZPWADDPXRLQ-UHFFFAOYSA-N 1 2 221.260 1.264 20 30 BDEDLO C=CC[N@@H+](CC(=O)Nc1ccon1)C1CC1 ZINC000678537072 488265002 /nfs/dbraw/zinc/26/50/02/488265002.db2.gz AFIZPWADDPXRLQ-UHFFFAOYSA-N 1 2 221.260 1.264 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nccs1 ZINC000678714721 488276786 /nfs/dbraw/zinc/27/67/86/488276786.db2.gz LMUKIUGBDPGMOW-SECBINFHSA-N 1 2 212.318 1.512 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nccs1 ZINC000678714721 488276784 /nfs/dbraw/zinc/27/67/84/488276784.db2.gz LMUKIUGBDPGMOW-SECBINFHSA-N 1 2 212.318 1.512 20 30 BDEDLO C=CCOCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000679471671 488353196 /nfs/dbraw/zinc/35/31/96/488353196.db2.gz QIVNKQXVMNERQP-UHFFFAOYSA-N 1 2 232.287 1.881 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(CC)CC ZINC000491744273 491080396 /nfs/dbraw/zinc/08/03/96/491080396.db2.gz VWVCRESKEKTRMM-GFCCVEGCSA-N 1 2 234.343 1.248 20 30 BDEDLO C#CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268673894 491074257 /nfs/dbraw/zinc/07/42/57/491074257.db2.gz KSHCKGWTNVWIGY-CABCVRRESA-N 1 2 245.322 1.444 20 30 BDEDLO C#CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268673894 491074259 /nfs/dbraw/zinc/07/42/59/491074259.db2.gz KSHCKGWTNVWIGY-CABCVRRESA-N 1 2 245.322 1.444 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000192220177 491121005 /nfs/dbraw/zinc/12/10/05/491121005.db2.gz NAGBWQVQDKVRGR-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000192220177 491121006 /nfs/dbraw/zinc/12/10/06/491121006.db2.gz NAGBWQVQDKVRGR-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000248124527 491132353 /nfs/dbraw/zinc/13/23/53/491132353.db2.gz VBJZKNLANULLKQ-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000248124527 491132354 /nfs/dbraw/zinc/13/23/54/491132354.db2.gz VBJZKNLANULLKQ-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO CC[C@@H](C)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000363425747 535513291 /nfs/dbraw/zinc/51/32/91/535513291.db2.gz GWJWODJZUQGUKZ-DGCLKSJQSA-N 1 2 221.348 1.705 20 30 BDEDLO CC[C@@H](C)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000363425747 535513294 /nfs/dbraw/zinc/51/32/94/535513294.db2.gz GWJWODJZUQGUKZ-DGCLKSJQSA-N 1 2 221.348 1.705 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289751267 535725968 /nfs/dbraw/zinc/72/59/68/535725968.db2.gz PZJYGNVZGIRASV-BDAKNGLRSA-N 1 2 239.344 1.978 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)n1 ZINC000189431613 535725459 /nfs/dbraw/zinc/72/54/59/535725459.db2.gz POIJTHJPFIMIPT-JTQLQIEISA-N 1 2 219.288 1.872 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OCC)o1 ZINC000892058883 582779023 /nfs/dbraw/zinc/77/90/23/582779023.db2.gz LVFQPDGAGQIAEG-UHFFFAOYSA-N 1 2 217.268 1.747 20 30 BDEDLO C=C(CC)C[N@@H+](CCOC)CC(=O)OCC ZINC000358505400 534378383 /nfs/dbraw/zinc/37/83/83/534378383.db2.gz HQTPVJDRVXLNQO-UHFFFAOYSA-N 1 2 229.320 1.464 20 30 BDEDLO C=C(CC)C[N@H+](CCOC)CC(=O)OCC ZINC000358505400 534378390 /nfs/dbraw/zinc/37/83/90/534378390.db2.gz HQTPVJDRVXLNQO-UHFFFAOYSA-N 1 2 229.320 1.464 20 30 BDEDLO CC(=O)NCCC[N@H+](CCC#N)Cc1ccco1 ZINC000177027350 534383531 /nfs/dbraw/zinc/38/35/31/534383531.db2.gz BSYJDXFUTRHOJI-UHFFFAOYSA-N 1 2 249.314 1.521 20 30 BDEDLO CC(=O)NCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000177027350 534383538 /nfs/dbraw/zinc/38/35/38/534383538.db2.gz BSYJDXFUTRHOJI-UHFFFAOYSA-N 1 2 249.314 1.521 20 30 BDEDLO C=C(CC)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337475985 534391175 /nfs/dbraw/zinc/39/11/75/534391175.db2.gz SBXQIKBLBLOBMM-UHFFFAOYSA-N 1 2 208.305 1.259 20 30 BDEDLO C=C(CC)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337475985 534391178 /nfs/dbraw/zinc/39/11/78/534391178.db2.gz SBXQIKBLBLOBMM-UHFFFAOYSA-N 1 2 208.305 1.259 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375619183 534440339 /nfs/dbraw/zinc/44/03/39/534440339.db2.gz RADXUICSKXTNQH-NSHDSACASA-N 1 2 231.723 1.620 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375619183 534440347 /nfs/dbraw/zinc/44/03/47/534440347.db2.gz RADXUICSKXTNQH-NSHDSACASA-N 1 2 231.723 1.620 20 30 BDEDLO C=CCCC1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000356146535 534638775 /nfs/dbraw/zinc/63/87/75/534638775.db2.gz BPAGXBYRKRAILQ-UHFFFAOYSA-N 1 2 219.288 1.772 20 30 BDEDLO C=CCCC1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000356146535 534638782 /nfs/dbraw/zinc/63/87/82/534638782.db2.gz BPAGXBYRKRAILQ-UHFFFAOYSA-N 1 2 219.288 1.772 20 30 BDEDLO C=C[C@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000362369986 534642565 /nfs/dbraw/zinc/64/25/65/534642565.db2.gz JHCRGTHNMWEMJC-NSHDSACASA-N 1 2 248.330 1.757 20 30 BDEDLO C=CCN(CCC#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000359381757 534831478 /nfs/dbraw/zinc/83/14/78/534831478.db2.gz OLENPEJQSCMNSA-UHFFFAOYSA-N 1 2 246.314 1.616 20 30 BDEDLO C=CC[N@@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000488122641 526382232 /nfs/dbraw/zinc/38/22/32/526382232.db2.gz ZGHPTUQJTIMVSE-UHFFFAOYSA-N 1 2 242.273 1.694 20 30 BDEDLO C=CC[N@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000488122641 526382237 /nfs/dbraw/zinc/38/22/37/526382237.db2.gz ZGHPTUQJTIMVSE-UHFFFAOYSA-N 1 2 242.273 1.694 20 30 BDEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000491047895 526755859 /nfs/dbraw/zinc/75/58/59/526755859.db2.gz VZSGGOOGXGAENW-UTCJRWHESA-N 1 2 215.256 1.047 20 30 BDEDLO C=CC1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488380213 526983945 /nfs/dbraw/zinc/98/39/45/526983945.db2.gz OSUBOGBIHNDCDZ-UHFFFAOYSA-N 1 2 247.346 1.648 20 30 BDEDLO C=CC1CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000488380213 526983951 /nfs/dbraw/zinc/98/39/51/526983951.db2.gz OSUBOGBIHNDCDZ-UHFFFAOYSA-N 1 2 247.346 1.648 20 30 BDEDLO C=CCCC[C@H](C)N1CC[NH+](C[C@H](C)O)CC1 ZINC000494465044 527273425 /nfs/dbraw/zinc/27/34/25/527273425.db2.gz MHRFBXXYQMQIAY-KBPBESRZSA-N 1 2 240.391 1.730 20 30 BDEDLO C#C[C@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000491395187 527335851 /nfs/dbraw/zinc/33/58/51/527335851.db2.gz RCBKODDJJNDAMC-QMMMGPOBSA-N 1 2 214.272 1.724 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000491554558 527370330 /nfs/dbraw/zinc/37/03/30/527370330.db2.gz KDTGSMPHTYDUBN-NWDGAFQWSA-N 1 2 248.330 1.373 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000356745137 534979004 /nfs/dbraw/zinc/97/90/04/534979004.db2.gz XJYGHFYPPNKYOM-WDEREUQCSA-N 1 2 225.336 1.333 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000356745137 534979009 /nfs/dbraw/zinc/97/90/09/534979009.db2.gz XJYGHFYPPNKYOM-WDEREUQCSA-N 1 2 225.336 1.333 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000356745120 534985996 /nfs/dbraw/zinc/98/59/96/534985996.db2.gz XJYGHFYPPNKYOM-QWRGUYRKSA-N 1 2 225.336 1.333 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000356745120 534985998 /nfs/dbraw/zinc/98/59/98/534985998.db2.gz XJYGHFYPPNKYOM-QWRGUYRKSA-N 1 2 225.336 1.333 20 30 BDEDLO CC[C@H](CC#N)NC(=O)CCc1c[nH+]cn1C ZINC000339162590 536050486 /nfs/dbraw/zinc/05/04/86/536050486.db2.gz ALIZODUAISKYCE-SNVBAGLBSA-N 1 2 234.303 1.161 20 30 BDEDLO CC(=NN=Cc1c[nH+]c(C)n1C)c1cnccn1 ZINC000853313518 588731998 /nfs/dbraw/zinc/73/19/98/588731998.db2.gz GKNQIIWHNZKDIE-UHFFFAOYSA-N 1 2 242.286 1.362 20 30 BDEDLO C(=NO[C@H]1CCCCO1)c1c[nH+]c2n1CCC2 ZINC000853325487 588733072 /nfs/dbraw/zinc/73/30/72/588733072.db2.gz LNHPCLZAMCCWDP-LBPRGKRZSA-N 1 2 235.287 1.706 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1c(C2CC2)cnn1C ZINC000853340386 588735186 /nfs/dbraw/zinc/73/51/86/588735186.db2.gz WOUWMLYOSFZJAE-UHFFFAOYSA-N 1 2 244.302 1.477 20 30 BDEDLO Fc1cccc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853344229 588735875 /nfs/dbraw/zinc/73/58/75/588735875.db2.gz IMQOAOTWNZRJTD-UHFFFAOYSA-N 1 2 245.261 1.809 20 30 BDEDLO c1cn(CCCNN=C2CO[C@H](C3CC3)C2)c[nH+]1 ZINC000853370423 588738637 /nfs/dbraw/zinc/73/86/37/588738637.db2.gz MVOKAINNTKWGNV-ZDUSSCGKSA-N 1 2 248.330 1.418 20 30 BDEDLO CC(C)(C=NOCC1CCC1)[NH+]1CCOCC1 ZINC000853440532 588743087 /nfs/dbraw/zinc/74/30/87/588743087.db2.gz HLELAVZSTBYHFH-UHFFFAOYSA-N 1 2 240.347 1.900 20 30 BDEDLO N#Cc1cnnc(N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000853469399 588744942 /nfs/dbraw/zinc/74/49/42/588744942.db2.gz PHKGEEIBKHVCCY-JTQLQIEISA-N 1 2 240.270 1.413 20 30 BDEDLO Nc1[nH+]cccc1CON=C1CCCOCC1 ZINC000853686419 588756017 /nfs/dbraw/zinc/75/60/17/588756017.db2.gz ZJHGAJGUYSQXAN-UHFFFAOYSA-N 1 2 235.287 1.737 20 30 BDEDLO CC(C)C#CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000854256885 588782301 /nfs/dbraw/zinc/78/23/01/588782301.db2.gz ZQITVRLDZVOCPF-UHFFFAOYSA-N 1 2 241.294 1.610 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000854694013 588802160 /nfs/dbraw/zinc/80/21/60/588802160.db2.gz DIGZTLRCXMCCIV-BXUZGUMPSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000854694014 588802162 /nfs/dbraw/zinc/80/21/62/588802162.db2.gz DIGZTLRCXMCCIV-FZMZJTMJSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)CCCn1cc[nH+]c1 ZINC000854696461 588802678 /nfs/dbraw/zinc/80/26/78/588802678.db2.gz FQCXUYTVBQWWBE-CYBMUJFWSA-N 1 2 233.315 1.581 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)C#CC(C)C ZINC000854762592 588806118 /nfs/dbraw/zinc/80/61/18/588806118.db2.gz XAWLGQGHQFZDRY-UHFFFAOYSA-N 1 2 219.288 1.179 20 30 BDEDLO C=C(C)CONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000855026449 588820811 /nfs/dbraw/zinc/82/08/11/588820811.db2.gz FFXCEQDUFVPFCI-VIFPVBQESA-N 1 2 235.287 1.139 20 30 BDEDLO C=C(C)CONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000855026449 588820812 /nfs/dbraw/zinc/82/08/12/588820812.db2.gz FFXCEQDUFVPFCI-VIFPVBQESA-N 1 2 235.287 1.139 20 30 BDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CCCC1=O ZINC000113239978 588827637 /nfs/dbraw/zinc/82/76/37/588827637.db2.gz IUBVWSFFDXWFPI-UHFFFAOYSA-N 1 2 243.310 1.570 20 30 BDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CCCC1=O ZINC000113239978 588827638 /nfs/dbraw/zinc/82/76/38/588827638.db2.gz IUBVWSFFDXWFPI-UHFFFAOYSA-N 1 2 243.310 1.570 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000890545976 582469357 /nfs/dbraw/zinc/46/93/57/582469357.db2.gz LSRQZEMTHZTSLF-FYJFLYSWSA-N 1 2 231.299 1.610 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000890554262 582474221 /nfs/dbraw/zinc/47/42/21/582474221.db2.gz LTGKOWPZYVGDRM-GHMZBOCLSA-N 1 2 245.326 1.692 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000890554262 582474222 /nfs/dbraw/zinc/47/42/22/582474222.db2.gz LTGKOWPZYVGDRM-GHMZBOCLSA-N 1 2 245.326 1.692 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000890653571 582492958 /nfs/dbraw/zinc/49/29/58/582492958.db2.gz MUUSXDMKIHQXTM-LBPRGKRZSA-N 1 2 231.299 1.357 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000890653571 582492960 /nfs/dbraw/zinc/49/29/60/582492960.db2.gz MUUSXDMKIHQXTM-LBPRGKRZSA-N 1 2 231.299 1.357 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000890886652 582586284 /nfs/dbraw/zinc/58/62/84/582586284.db2.gz MKJJTVPMSQUJPR-ZDUSSCGKSA-N 1 2 237.347 1.549 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000891266120 582645316 /nfs/dbraw/zinc/64/53/16/582645316.db2.gz GARGHCLXHYGKBY-SECBINFHSA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000891266120 582645318 /nfs/dbraw/zinc/64/53/18/582645318.db2.gz GARGHCLXHYGKBY-SECBINFHSA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000891266813 582647253 /nfs/dbraw/zinc/64/72/53/582647253.db2.gz VTJVUURCQGYAID-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000891542172 582695875 /nfs/dbraw/zinc/69/58/75/582695875.db2.gz JZTJNDYVTBJOQK-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000891542172 582695876 /nfs/dbraw/zinc/69/58/76/582695876.db2.gz JZTJNDYVTBJOQK-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ccon2)s1 ZINC000135502668 582806930 /nfs/dbraw/zinc/80/69/30/582806930.db2.gz VJCDGNNESYUIPH-UHFFFAOYSA-N 1 2 219.269 1.898 20 30 BDEDLO C#CCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856282572 588867221 /nfs/dbraw/zinc/86/72/21/588867221.db2.gz XJIVMHIXGPDDDK-SNVBAGLBSA-N 1 2 219.288 1.401 20 30 BDEDLO C[C@@H](O)c1cccc(NCCCC#N)[nH+]1 ZINC000893126611 583053080 /nfs/dbraw/zinc/05/30/80/583053080.db2.gz ATRIQRCHNGSZSM-SECBINFHSA-N 1 2 205.261 1.851 20 30 BDEDLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@H](C)CC#N ZINC000893533326 583158300 /nfs/dbraw/zinc/15/83/00/583158300.db2.gz UULJXCKNSKGJSV-SCZZXKLOSA-N 1 2 233.271 1.729 20 30 BDEDLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)[C@@H](C)CC#N ZINC000893533376 583158385 /nfs/dbraw/zinc/15/83/85/583158385.db2.gz UULJXCKNSKGJSV-WCBMZHEXSA-N 1 2 233.271 1.729 20 30 BDEDLO Cn1cc(C[NH+]2CCC(C#N)CC2)c(Cl)n1 ZINC000857013946 588881997 /nfs/dbraw/zinc/88/19/97/588881997.db2.gz GOFXXSFFXUYHSN-UHFFFAOYSA-N 1 2 238.722 1.809 20 30 BDEDLO CCC#CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000893843208 583231460 /nfs/dbraw/zinc/23/14/60/583231460.db2.gz INDTVAYGSNKHFZ-NSHDSACASA-N 1 2 220.272 1.791 20 30 BDEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1ncnn1C ZINC000893964134 583257514 /nfs/dbraw/zinc/25/75/14/583257514.db2.gz MWINPTWXCGNRLN-LBPRGKRZSA-N 1 2 240.310 1.517 20 30 BDEDLO Cc1coc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000893994275 583267252 /nfs/dbraw/zinc/26/72/52/583267252.db2.gz YUVFJRVOZLWBFC-UHFFFAOYSA-N 1 2 219.288 1.229 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894066396 583293415 /nfs/dbraw/zinc/29/34/15/583293415.db2.gz ALTQSKAPSDFNQK-JLLWLGSASA-N 1 2 234.299 1.890 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894112624 583308986 /nfs/dbraw/zinc/30/89/86/583308986.db2.gz IKEJBGRNCHEZAZ-QWRGUYRKSA-N 1 2 236.315 1.874 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000878094259 583361019 /nfs/dbraw/zinc/36/10/19/583361019.db2.gz PABLYXAPWUATHR-IJLUTSLNSA-N 1 2 241.331 1.603 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000878094259 583361022 /nfs/dbraw/zinc/36/10/22/583361022.db2.gz PABLYXAPWUATHR-IJLUTSLNSA-N 1 2 241.331 1.603 20 30 BDEDLO C#CCC(CC#C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000857277899 588902354 /nfs/dbraw/zinc/90/23/54/588902354.db2.gz LEUWAHIDZNDJFQ-UHFFFAOYSA-N 1 2 243.310 1.424 20 30 BDEDLO C#CCO[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000857280679 588902591 /nfs/dbraw/zinc/90/25/91/588902591.db2.gz NJAXCZHCEKCVRW-GHMZBOCLSA-N 1 2 249.314 1.119 20 30 BDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CCC1=O ZINC000857232043 588897581 /nfs/dbraw/zinc/89/75/81/588897581.db2.gz YZLOPPWCNDDUNI-UHFFFAOYSA-N 1 2 229.283 1.180 20 30 BDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CCC1=O ZINC000857232043 588897583 /nfs/dbraw/zinc/89/75/83/588897583.db2.gz YZLOPPWCNDDUNI-UHFFFAOYSA-N 1 2 229.283 1.180 20 30 BDEDLO CC(C)c1c[nH]c(CNC[C@@H](C)C#N)[nH+]1 ZINC000894452682 583463251 /nfs/dbraw/zinc/46/32/51/583463251.db2.gz JUIWWUHVLZIMDM-VIFPVBQESA-N 1 2 206.293 1.782 20 30 BDEDLO C#C[C@H]1COCCN1Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894985579 583564356 /nfs/dbraw/zinc/56/43/56/583564356.db2.gz RSQHUYFWVWLUST-NSHDSACASA-N 1 2 233.315 1.367 20 30 BDEDLO C=CC[C@H](CO)CNc1nc[nH+]c(C)c1C ZINC000882160620 583596640 /nfs/dbraw/zinc/59/66/40/583596640.db2.gz SMHAZGDZTYJLAL-NSHDSACASA-N 1 2 221.304 1.690 20 30 BDEDLO Cc1coc(C[NH2+][C@@H]2CCCN(O)C2=O)c1 ZINC000895157235 583607802 /nfs/dbraw/zinc/60/78/02/583607802.db2.gz NUTQHCASDLQWDB-SNVBAGLBSA-N 1 2 224.260 1.058 20 30 BDEDLO C#CCCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887690 588921097 /nfs/dbraw/zinc/92/10/97/588921097.db2.gz TWUCRLXXKQJYJZ-GFCCVEGCSA-N 1 2 245.326 1.508 20 30 BDEDLO C=CCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857889614 588921204 /nfs/dbraw/zinc/92/12/04/588921204.db2.gz LSJMMALSXYJNMW-SNVBAGLBSA-N 1 2 219.288 1.280 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)COC(C)=O)C(=O)OC ZINC000895755242 583720847 /nfs/dbraw/zinc/72/08/47/583720847.db2.gz XUJIVAMDYMIRRI-ONGXEEELSA-N 1 2 243.303 1.035 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(C)nn1)C1CSC1 ZINC000895814504 583733636 /nfs/dbraw/zinc/73/36/36/583733636.db2.gz UHCHPWRNMXSOCP-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CC[N@H+](Cc1ccc(C)nn1)C1CSC1 ZINC000895814504 583733637 /nfs/dbraw/zinc/73/36/37/583733637.db2.gz UHCHPWRNMXSOCP-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980265 588927620 /nfs/dbraw/zinc/92/76/20/588927620.db2.gz VYZDEUOHKQMYSH-JTQLQIEISA-N 1 2 217.272 1.248 20 30 BDEDLO CC#CCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982782 588928060 /nfs/dbraw/zinc/92/80/60/588928060.db2.gz RWRBEQAOHOQILZ-NSHDSACASA-N 1 2 231.299 1.638 20 30 BDEDLO C=CCOCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982193 588928102 /nfs/dbraw/zinc/92/81/02/588928102.db2.gz GKHLMLGSXPIJGI-LLVKDONJSA-N 1 2 249.314 1.427 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858002065 588930655 /nfs/dbraw/zinc/93/06/55/588930655.db2.gz MDKJNRLQMJJHBT-JTQLQIEISA-N 1 2 244.298 1.698 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896501610 583807417 /nfs/dbraw/zinc/80/74/17/583807417.db2.gz BEGXTQFTUUOOQA-LLVKDONJSA-N 1 2 232.331 1.718 20 30 BDEDLO CCc1nn(C)cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896501610 583807419 /nfs/dbraw/zinc/80/74/19/583807419.db2.gz BEGXTQFTUUOOQA-LLVKDONJSA-N 1 2 232.331 1.718 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896506923 583808633 /nfs/dbraw/zinc/80/86/33/583808633.db2.gz WHRWNDYYQFLOJI-LLVKDONJSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896506923 583808635 /nfs/dbraw/zinc/80/86/35/583808635.db2.gz WHRWNDYYQFLOJI-LLVKDONJSA-N 1 2 218.304 1.464 20 30 BDEDLO C#CCSCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896905279 583851037 /nfs/dbraw/zinc/85/10/37/583851037.db2.gz DPJFGCMGRUWOPR-UHFFFAOYSA-N 1 2 237.328 1.009 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc(Cl)n1C ZINC000897168820 583888306 /nfs/dbraw/zinc/88/83/06/583888306.db2.gz GVLBJEGCTTZSAH-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc(Cl)n1C ZINC000897168820 583888308 /nfs/dbraw/zinc/88/83/08/583888308.db2.gz GVLBJEGCTTZSAH-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CCSCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000888161305 583975615 /nfs/dbraw/zinc/97/56/15/583975615.db2.gz YFJXEGICPZGWGP-UHFFFAOYSA-N 1 2 249.339 1.453 20 30 BDEDLO C[C@H](C#N)CN(C)c1cc[nH+]c(CO)c1 ZINC000858349928 588948162 /nfs/dbraw/zinc/94/81/62/588948162.db2.gz UWJXTWNTFUBXTF-SECBINFHSA-N 1 2 205.261 1.170 20 30 BDEDLO C=C1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000898701798 584151134 /nfs/dbraw/zinc/15/11/34/584151134.db2.gz YCXMPIGDNWCYKX-UHFFFAOYSA-N 1 2 244.285 1.362 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000899899845 584248107 /nfs/dbraw/zinc/24/81/07/584248107.db2.gz CTCDBTNEJYDEKB-CYBMUJFWSA-N 1 2 203.285 1.900 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900328864 584295161 /nfs/dbraw/zinc/29/51/61/584295161.db2.gz IXQJQTSDCUTQCZ-SNVBAGLBSA-N 1 2 232.287 1.112 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)NC1(C#N)CCC1 ZINC000900398419 584302399 /nfs/dbraw/zinc/30/23/99/584302399.db2.gz LIERMCSLLCIZHT-UHFFFAOYSA-N 1 2 244.298 1.608 20 30 BDEDLO C=C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900585287 584331872 /nfs/dbraw/zinc/33/18/72/584331872.db2.gz LSFNIICOFDUEJI-UHFFFAOYSA-N 1 2 205.261 1.131 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)N[C@H](C#N)C1CC1 ZINC000900637434 584334944 /nfs/dbraw/zinc/33/49/44/584334944.db2.gz DTPGGMNRPIBSOJ-LLVKDONJSA-N 1 2 244.298 1.464 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900971356 584369384 /nfs/dbraw/zinc/36/93/84/584369384.db2.gz GIXBLPDHDAWEQX-VIFPVBQESA-N 1 2 220.276 1.007 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900971356 584369386 /nfs/dbraw/zinc/36/93/86/584369386.db2.gz GIXBLPDHDAWEQX-VIFPVBQESA-N 1 2 220.276 1.007 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2cnn(C)c2)c1 ZINC000901231070 584403579 /nfs/dbraw/zinc/40/35/79/584403579.db2.gz CQKLJFNAIRZLIJ-UHFFFAOYSA-N 1 2 218.264 1.083 20 30 BDEDLO CCc1onc(C)c1C=NNc1[nH+]ccn1C ZINC000901236430 584405369 /nfs/dbraw/zinc/40/53/69/584405369.db2.gz SQQUJNKMTOLVKB-UHFFFAOYSA-N 1 2 233.275 1.725 20 30 BDEDLO COC(C)(C)CC=[NH+]n1nnc2c1CCCC2 ZINC000901331186 584425034 /nfs/dbraw/zinc/42/50/34/584425034.db2.gz MDPPXMILPYNQIN-UHFFFAOYSA-N 1 2 236.319 1.806 20 30 BDEDLO C[C@@H]1C[C@@H]1C=[NH+]n1nnc2c1CCCC2 ZINC000901330995 584425214 /nfs/dbraw/zinc/42/52/14/584425214.db2.gz IASCNEXMYLDISC-RKDXNWHRSA-N 1 2 204.277 1.647 20 30 BDEDLO Cc1nn(C)cc1C(=O)/C=C\c1c[nH+]cn1C ZINC000901462814 584450915 /nfs/dbraw/zinc/45/09/15/584450915.db2.gz YWUIQDQLUQNWMJ-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccn(C)n1 ZINC000901542289 584461157 /nfs/dbraw/zinc/46/11/57/584461157.db2.gz CLKOAGICPBUGLZ-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO CCn1c[nH+]cc1/C=C1/Cn2ccnc2C1=O ZINC000901512877 584461242 /nfs/dbraw/zinc/46/12/42/584461242.db2.gz LKINFVBVZZURMP-UITAMQMPSA-N 1 2 228.255 1.379 20 30 BDEDLO C#CCCOC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000858927983 588985803 /nfs/dbraw/zinc/98/58/03/588985803.db2.gz MIWYVBNNELSXEI-UHFFFAOYSA-N 1 2 247.298 1.680 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)C(=O)OC ZINC000901669149 584478007 /nfs/dbraw/zinc/47/80/07/584478007.db2.gz INEMAGVYJDBANH-VPOLOUISSA-N 1 2 209.289 1.492 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902227835 584541622 /nfs/dbraw/zinc/54/16/22/584541622.db2.gz CNSYBYHHUGNFMM-RYUDHWBXSA-N 1 2 238.331 1.089 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902227835 584541624 /nfs/dbraw/zinc/54/16/24/584541624.db2.gz CNSYBYHHUGNFMM-RYUDHWBXSA-N 1 2 238.331 1.089 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cn(CC)cn1)[C@H]1CCCO1 ZINC000902487470 584627043 /nfs/dbraw/zinc/62/70/43/584627043.db2.gz HBDVSGBSQZOQNL-CHWSQXEVSA-N 1 2 233.315 1.173 20 30 BDEDLO CCn1cnc(C[NH2+]Cc2ccc(C#N)cn2)c1 ZINC000902516841 584630082 /nfs/dbraw/zinc/63/00/82/584630082.db2.gz HPDCSMPGNOGKHM-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO CC(C)(C)CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000859106353 589002994 /nfs/dbraw/zinc/00/29/94/589002994.db2.gz VVNOPHVURBRRJM-UHFFFAOYSA-N 1 2 237.347 1.384 20 30 BDEDLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(C#N)ccn1 ZINC000902796473 584674861 /nfs/dbraw/zinc/67/48/61/584674861.db2.gz QIOHOFLHCXGKEV-SECBINFHSA-N 1 2 227.271 1.527 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1nccn1C ZINC000903030442 584718098 /nfs/dbraw/zinc/71/80/98/584718098.db2.gz BJQHHDZEGJVEIV-SNVBAGLBSA-N 1 2 218.304 1.765 20 30 BDEDLO C[C@@H](NCC1(C#N)CCC1)c1[nH+]ccn1C ZINC000903030442 584718099 /nfs/dbraw/zinc/71/80/99/584718099.db2.gz BJQHHDZEGJVEIV-SNVBAGLBSA-N 1 2 218.304 1.765 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000801940235 584721143 /nfs/dbraw/zinc/72/11/43/584721143.db2.gz LADRBNQSDPBZRR-QWRGUYRKSA-N 1 2 234.303 1.475 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000801940235 584721146 /nfs/dbraw/zinc/72/11/46/584721146.db2.gz LADRBNQSDPBZRR-QWRGUYRKSA-N 1 2 234.303 1.475 20 30 BDEDLO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)c2nccn21 ZINC000903105593 584728251 /nfs/dbraw/zinc/72/82/51/584728251.db2.gz FJQAWTIVZVTDHG-NXEZZACHSA-N 1 2 216.288 1.782 20 30 BDEDLO CCCCN(O)C(=O)c1cccc2[nH+]ccn21 ZINC000904212236 584854420 /nfs/dbraw/zinc/85/44/20/584854420.db2.gz MPCVGGZQAFEMPT-UHFFFAOYSA-N 1 2 233.271 1.966 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc(N)nn2)CCCCC1 ZINC000904378482 584876162 /nfs/dbraw/zinc/87/61/62/584876162.db2.gz DNPSZTFCAUBVSY-UHFFFAOYSA-N 1 2 245.330 1.622 20 30 BDEDLO N#CCN1CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000730434198 584911021 /nfs/dbraw/zinc/91/10/21/584911021.db2.gz HEAURWQDIMFNJG-WJDWOHSUSA-N 1 2 243.310 1.799 20 30 BDEDLO C#CCO[NH+]=C1CCCc2nc(N)ccc21 ZINC000834979345 584916620 /nfs/dbraw/zinc/91/66/20/584916620.db2.gz NKMUJMJEDOHARQ-UHFFFAOYSA-N 1 2 215.256 1.354 20 30 BDEDLO C=CCO[NH+]=Cc1sc(N(C)C)nc1OC ZINC000835015304 584918542 /nfs/dbraw/zinc/91/85/42/584918542.db2.gz HXKKILLNPWLKBR-UHFFFAOYSA-N 1 2 241.316 1.754 20 30 BDEDLO O=[N+]([O-])c1ccccc1N=NCc1[nH]cc[nH+]1 ZINC000731153238 584922833 /nfs/dbraw/zinc/92/28/33/584922833.db2.gz YONMWSOFANAUJU-UHFFFAOYSA-N 1 2 231.215 1.764 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)on1 ZINC000732053062 584932979 /nfs/dbraw/zinc/93/29/79/584932979.db2.gz YNFRUTOMSKTFLA-JTQLQIEISA-N 1 2 233.271 1.019 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)on1 ZINC000732053062 584932980 /nfs/dbraw/zinc/93/29/80/584932980.db2.gz YNFRUTOMSKTFLA-JTQLQIEISA-N 1 2 233.271 1.019 20 30 BDEDLO C=C(Cl)CNC(=O)CCCn1cc[nH+]c1 ZINC000736239531 584993692 /nfs/dbraw/zinc/99/36/92/584993692.db2.gz ZTMWIQNUTIAKMV-UHFFFAOYSA-N 1 2 227.695 1.532 20 30 BDEDLO C#CCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000738919054 585054195 /nfs/dbraw/zinc/05/41/95/585054195.db2.gz GGIHQRKUBJXDEY-UHFFFAOYSA-N 1 2 242.282 1.788 20 30 BDEDLO CN(C)c1[nH+]cccc1COC(=O)CCCC#N ZINC000838952570 585080913 /nfs/dbraw/zinc/08/09/13/585080913.db2.gz AJULKDFHIDUWPB-UHFFFAOYSA-N 1 2 247.298 1.885 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCC1 ZINC000739914328 585085492 /nfs/dbraw/zinc/08/54/92/585085492.db2.gz ITSQANAHQRZGKQ-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCC1 ZINC000739914328 585085493 /nfs/dbraw/zinc/08/54/93/585085493.db2.gz ITSQANAHQRZGKQ-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C#Cc1cccc(C[NH2+]Cc2cnn(CC)n2)c1 ZINC000839126958 585093294 /nfs/dbraw/zinc/09/32/94/585093294.db2.gz DRRGCVFPQKHHFL-UHFFFAOYSA-N 1 2 240.310 1.569 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C(=O)OC ZINC000839167083 585095233 /nfs/dbraw/zinc/09/52/33/585095233.db2.gz CJQSYEWWWHVEFG-AXFHLTTASA-N 1 2 211.305 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)C(=O)OC ZINC000839167188 585095237 /nfs/dbraw/zinc/09/52/37/585095237.db2.gz COJWQRPIZDSRLZ-UTUOFQBUSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCC1CC1)C(=O)OC ZINC000839166986 585095303 /nfs/dbraw/zinc/09/53/03/585095303.db2.gz CCEAKZRYRTXCJT-PWSUYJOCSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(=O)OC ZINC000839166950 585095500 /nfs/dbraw/zinc/09/55/00/585095500.db2.gz BJACFDCOBODZEE-UPJWGTAASA-N 1 2 237.343 1.967 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CC1CC1)C(=O)OC ZINC000839168608 585095595 /nfs/dbraw/zinc/09/55/95/585095595.db2.gz LOSJUYMAGFVDDI-MWLCHTKSSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+]CC(CC)CC)C(=O)OC ZINC000839168575 585095667 /nfs/dbraw/zinc/09/56/67/585095667.db2.gz KXQJOXOZDZSULI-NSHDSACASA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1cccc(C)c1O)C(=O)OC ZINC000839168683 585095811 /nfs/dbraw/zinc/09/58/11/585095811.db2.gz MQFHGHSOOQXOFV-GFCCVEGCSA-N 1 2 247.294 1.355 20 30 BDEDLO C#CC[C@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000839169137 585095827 /nfs/dbraw/zinc/09/58/27/585095827.db2.gz QNVQTIWQHCDGST-NSHDSACASA-N 1 2 239.315 1.100 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000839169491 585095936 /nfs/dbraw/zinc/09/59/36/585095936.db2.gz SNMVASWSCWFTON-NWDGAFQWSA-N 1 2 221.300 1.497 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OC ZINC000839170292 585095990 /nfs/dbraw/zinc/09/59/90/585095990.db2.gz YIMLLMWHEYRPPV-RYUDHWBXSA-N 1 2 221.300 1.640 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCCCCC1)C(=O)OC ZINC000839170184 585095992 /nfs/dbraw/zinc/09/59/92/585095992.db2.gz YUYODVJLXDMOJE-LBPRGKRZSA-N 1 2 223.316 1.864 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C(=O)OC ZINC000839170117 585096025 /nfs/dbraw/zinc/09/60/25/585096025.db2.gz XNQQBXKWZBCVNT-AXFHLTTASA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+]CCCC(C)C)C(=O)OC ZINC000839170053 585096222 /nfs/dbraw/zinc/09/62/22/585096222.db2.gz XDVRTJUAJBAMQK-NSHDSACASA-N 1 2 211.305 1.577 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000839186107 585096678 /nfs/dbraw/zinc/09/66/78/585096678.db2.gz AFDFJCRQYVZRGT-GFCCVEGCSA-N 1 2 217.268 1.226 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000839186107 585096679 /nfs/dbraw/zinc/09/66/79/585096679.db2.gz AFDFJCRQYVZRGT-GFCCVEGCSA-N 1 2 217.268 1.226 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOc1ccc(C)cc1 ZINC000839194610 585097772 /nfs/dbraw/zinc/09/77/72/585097772.db2.gz BCCNKYXDNDVTBO-CQSZACIVSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOc1ccc(C)cc1 ZINC000839194610 585097773 /nfs/dbraw/zinc/09/77/73/585097773.db2.gz BCCNKYXDNDVTBO-CQSZACIVSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCOC(C)(C)C ZINC000839198244 585099393 /nfs/dbraw/zinc/09/93/93/585099393.db2.gz ZYMYTJQGGJBVSG-GFCCVEGCSA-N 1 2 225.332 1.526 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCOC(C)(C)C ZINC000839198244 585099394 /nfs/dbraw/zinc/09/93/94/585099394.db2.gz ZYMYTJQGGJBVSG-GFCCVEGCSA-N 1 2 225.332 1.526 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cc(C)nn1C ZINC000789055272 585130829 /nfs/dbraw/zinc/13/08/29/585130829.db2.gz XBGCSNPVEXUDNN-UHFFFAOYSA-N 1 2 232.291 1.298 20 30 BDEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC000886355888 585134164 /nfs/dbraw/zinc/13/41/64/585134164.db2.gz PGIWDYODTJYDMA-JTQLQIEISA-N 1 2 219.288 1.477 20 30 BDEDLO C#CC[C@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC000886355888 585134165 /nfs/dbraw/zinc/13/41/65/585134165.db2.gz PGIWDYODTJYDMA-JTQLQIEISA-N 1 2 219.288 1.477 20 30 BDEDLO CON(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000746499920 585168965 /nfs/dbraw/zinc/16/89/65/585168965.db2.gz PXHOMFHVYWTMNJ-UHFFFAOYSA-N 1 2 247.298 1.010 20 30 BDEDLO CON(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000746499920 585168966 /nfs/dbraw/zinc/16/89/66/585168966.db2.gz PXHOMFHVYWTMNJ-UHFFFAOYSA-N 1 2 247.298 1.010 20 30 BDEDLO C=CCNC(=S)Nc1c[nH+]ccc1OC ZINC000748158903 585188440 /nfs/dbraw/zinc/18/84/40/585188440.db2.gz VEOWRSQHYCBRFR-UHFFFAOYSA-N 1 2 223.301 1.563 20 30 BDEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748831821 585197153 /nfs/dbraw/zinc/19/71/53/585197153.db2.gz BWZXGIONWPDSRR-CYBMUJFWSA-N 1 2 246.285 1.322 20 30 BDEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748831821 585197154 /nfs/dbraw/zinc/19/71/54/585197154.db2.gz BWZXGIONWPDSRR-CYBMUJFWSA-N 1 2 246.285 1.322 20 30 BDEDLO C=C1CC[NH+](CCS(=O)(=O)C(C)C)CC1 ZINC000749789872 585206071 /nfs/dbraw/zinc/20/60/71/585206071.db2.gz CFSJDMWTCCURCK-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C#CCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750411862 585214485 /nfs/dbraw/zinc/21/44/85/585214485.db2.gz JWCZWZIHVXZITJ-UHFFFAOYSA-N 1 2 246.314 1.601 20 30 BDEDLO CCOCC(C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753932880 585272299 /nfs/dbraw/zinc/27/22/99/585272299.db2.gz AWTOUBHHXAVMEB-QWRGUYRKSA-N 1 2 238.335 1.259 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754023484 585275550 /nfs/dbraw/zinc/27/55/50/585275550.db2.gz DIVBUFNQSLGDPA-NSHDSACASA-N 1 2 232.331 1.739 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754023484 585275551 /nfs/dbraw/zinc/27/55/51/585275551.db2.gz DIVBUFNQSLGDPA-NSHDSACASA-N 1 2 232.331 1.739 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1nc(C)cc(C)n1 ZINC000755455520 585299791 /nfs/dbraw/zinc/29/97/91/585299791.db2.gz OQSSGZFELWTCCP-UHFFFAOYSA-N 1 2 244.302 1.756 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ccc(Cl)nn1 ZINC000755481840 585300479 /nfs/dbraw/zinc/30/04/79/585300479.db2.gz UHYPJESOKSCEMJ-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO Cc1ccnc(N=NCc2[nH+]ccn2C)c1 ZINC000755902089 585309730 /nfs/dbraw/zinc/30/97/30/585309730.db2.gz ZAAFUCTUVPLQSO-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO C=CC[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000756658148 585322225 /nfs/dbraw/zinc/32/22/25/585322225.db2.gz HHRXNHYFHKCYCF-SNVBAGLBSA-N 1 2 245.282 1.001 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000839658711 585333808 /nfs/dbraw/zinc/33/38/08/585333808.db2.gz GTVLRVGFEKIRRM-VIFPVBQESA-N 1 2 226.711 1.655 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000839658711 585333809 /nfs/dbraw/zinc/33/38/09/585333809.db2.gz GTVLRVGFEKIRRM-VIFPVBQESA-N 1 2 226.711 1.655 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000839658711 585333810 /nfs/dbraw/zinc/33/38/10/585333810.db2.gz GTVLRVGFEKIRRM-VIFPVBQESA-N 1 2 226.711 1.655 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000839658711 585333811 /nfs/dbraw/zinc/33/38/11/585333811.db2.gz GTVLRVGFEKIRRM-VIFPVBQESA-N 1 2 226.711 1.655 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000760848396 585399674 /nfs/dbraw/zinc/39/96/74/585399674.db2.gz YBCBVPKOGCDEGW-CHWSQXEVSA-N 1 2 249.310 1.427 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000760848396 585399675 /nfs/dbraw/zinc/39/96/75/585399675.db2.gz YBCBVPKOGCDEGW-CHWSQXEVSA-N 1 2 249.310 1.427 20 30 BDEDLO Cc1cc(=O)[nH]c(N=NC2CC[N@H+]3CCC[C@H]23)n1 ZINC000765544693 585489550 /nfs/dbraw/zinc/48/95/50/585489550.db2.gz VBPAGGKCAZKEPY-SNVBAGLBSA-N 1 2 247.302 1.127 20 30 BDEDLO CCN(CC)c1ncc(C=[NH+]OC)s1 ZINC000767491561 585521105 /nfs/dbraw/zinc/52/11/05/585521105.db2.gz NAURERUIWZCJBM-UHFFFAOYSA-N 1 2 213.306 1.970 20 30 BDEDLO C#CCCN(Cc1[nH+]ccn1C)CC(F)(F)F ZINC000767899792 585527849 /nfs/dbraw/zinc/52/78/49/585527849.db2.gz NBUHLRUTUCQQJS-UHFFFAOYSA-N 1 2 245.248 1.808 20 30 BDEDLO CC(C)C[N@H+](CCC#N)Cc1cncnc1 ZINC000768154105 585533249 /nfs/dbraw/zinc/53/32/49/585533249.db2.gz RYHGAFWWQWOWJX-UHFFFAOYSA-N 1 2 218.304 1.848 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)Cc1cncnc1 ZINC000768154105 585533250 /nfs/dbraw/zinc/53/32/50/585533250.db2.gz RYHGAFWWQWOWJX-UHFFFAOYSA-N 1 2 218.304 1.848 20 30 BDEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)NCCC#N ZINC000768735456 585542403 /nfs/dbraw/zinc/54/24/03/585542403.db2.gz UKIIZTCVPDHIIM-NSHDSACASA-N 1 2 246.314 1.104 20 30 BDEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)NCCC#N ZINC000768735456 585542404 /nfs/dbraw/zinc/54/24/04/585542404.db2.gz UKIIZTCVPDHIIM-NSHDSACASA-N 1 2 246.314 1.104 20 30 BDEDLO COc1ccc(C[N@H+](CCO)CCC#N)cc1 ZINC000769536943 585558966 /nfs/dbraw/zinc/55/89/66/585558966.db2.gz FXOGVTOEKMMDML-UHFFFAOYSA-N 1 2 234.299 1.403 20 30 BDEDLO COc1ccc(C[N@@H+](CCO)CCC#N)cc1 ZINC000769536943 585558967 /nfs/dbraw/zinc/55/89/67/585558967.db2.gz FXOGVTOEKMMDML-UHFFFAOYSA-N 1 2 234.299 1.403 20 30 BDEDLO CC(=NNC1=[NH+]C[C@H](C)N1)C1SC=CC1=O ZINC000769797359 585563715 /nfs/dbraw/zinc/56/37/15/585563715.db2.gz CVDNQWPSVUNXBU-LURJTMIESA-N 1 2 238.316 1.115 20 30 BDEDLO CC(N=NC1=[NH+]C[C@H](C)N1)C1SC=CC1=O ZINC000769797359 585563716 /nfs/dbraw/zinc/56/37/16/585563716.db2.gz CVDNQWPSVUNXBU-LURJTMIESA-N 1 2 238.316 1.115 20 30 BDEDLO C[C@H](CO)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000769894552 585566424 /nfs/dbraw/zinc/56/64/24/585566424.db2.gz UTMXRHKSNCAIIO-WDEREUQCSA-N 1 2 210.321 1.629 20 30 BDEDLO C[C@H](CO)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000769894552 585566425 /nfs/dbraw/zinc/56/64/25/585566425.db2.gz UTMXRHKSNCAIIO-WDEREUQCSA-N 1 2 210.321 1.629 20 30 BDEDLO CN(CCC#N)C(=O)c1cccc2[nH+]ccn21 ZINC000770410749 585573741 /nfs/dbraw/zinc/57/37/41/585573741.db2.gz DCOXGGZHBJUMKP-UHFFFAOYSA-N 1 2 228.255 1.320 20 30 BDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC#N ZINC000772352030 585613170 /nfs/dbraw/zinc/61/31/70/585613170.db2.gz WQHPPLZIHFPORD-SNVBAGLBSA-N 1 2 234.303 1.328 20 30 BDEDLO CC(C)c1nccnc1N=NCc1c[nH+]c[nH]1 ZINC000773090934 585630999 /nfs/dbraw/zinc/63/09/99/585630999.db2.gz KUEBKBFRPIERCL-UHFFFAOYSA-N 1 2 230.275 1.769 20 30 BDEDLO CC(C)c1nccnc1N=NCc1c[nH]c[nH+]1 ZINC000773090934 585631000 /nfs/dbraw/zinc/63/10/00/585631000.db2.gz KUEBKBFRPIERCL-UHFFFAOYSA-N 1 2 230.275 1.769 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000773586805 585640755 /nfs/dbraw/zinc/64/07/55/585640755.db2.gz FGAFGUQFOAEXHC-SNVBAGLBSA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000773593443 585641124 /nfs/dbraw/zinc/64/11/24/585641124.db2.gz REEZIZAAJKDILR-SNVBAGLBSA-N 1 2 242.282 1.155 20 30 BDEDLO C#C[C@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000773593442 585641226 /nfs/dbraw/zinc/64/12/26/585641226.db2.gz REEZIZAAJKDILR-JTQLQIEISA-N 1 2 242.282 1.155 20 30 BDEDLO C#CCCCCC(=O)OCCn1cc[nH+]c1 ZINC000773631374 585641707 /nfs/dbraw/zinc/64/17/07/585641707.db2.gz WVSOZZTUNUKLTE-UHFFFAOYSA-N 1 2 220.272 1.620 20 30 BDEDLO CON=CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000773900553 585646093 /nfs/dbraw/zinc/64/60/93/585646093.db2.gz SWQKZRZQDDNXBC-UHFFFAOYSA-N 1 2 244.254 1.647 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000775404942 585677506 /nfs/dbraw/zinc/67/75/06/585677506.db2.gz RJDMVLYZQQRKJR-ZDUSSCGKSA-N 1 2 240.310 1.669 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(C)cn1)[C@H]1CCCO1 ZINC000775797654 585685205 /nfs/dbraw/zinc/68/52/05/585685205.db2.gz DHHXKDGFLWMFRA-VXGBXAGGSA-N 1 2 231.299 1.055 20 30 BDEDLO N#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000777104044 585708503 /nfs/dbraw/zinc/70/85/03/585708503.db2.gz VJLZOOSVOFWPDB-SNVBAGLBSA-N 1 2 240.266 1.366 20 30 BDEDLO COc1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000780271715 585776274 /nfs/dbraw/zinc/77/62/74/585776274.db2.gz WTRDIHRYYMDXPG-UHFFFAOYSA-N 1 2 217.232 1.259 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2cc(Cl)ccn2)cn1 ZINC000781595804 585800128 /nfs/dbraw/zinc/80/01/28/585800128.db2.gz YIVUDOQBRBXJJF-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO COC(C[N@H+](C[C@H](C)C#N)C1CC1)OC ZINC000781905219 585805001 /nfs/dbraw/zinc/80/50/01/585805001.db2.gz WINGQUITYMPUNG-SECBINFHSA-N 1 2 212.293 1.229 20 30 BDEDLO COC(C[N@@H+](C[C@H](C)C#N)C1CC1)OC ZINC000781905219 585805002 /nfs/dbraw/zinc/80/50/02/585805002.db2.gz WINGQUITYMPUNG-SECBINFHSA-N 1 2 212.293 1.229 20 30 BDEDLO N#C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CCN1C1CC1 ZINC000783567327 585837121 /nfs/dbraw/zinc/83/71/21/585837121.db2.gz NEGNZFYBORMXHI-TZMCWYRMSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCN1C1CC1 ZINC000783567327 585837122 /nfs/dbraw/zinc/83/71/22/585837122.db2.gz NEGNZFYBORMXHI-TZMCWYRMSA-N 1 2 249.358 1.085 20 30 BDEDLO Cc1ccnc(-n2c[nH+]c(CCCO)c2)c1C#N ZINC000784159088 585852100 /nfs/dbraw/zinc/85/21/00/585852100.db2.gz JRFKZXDMRMGTOX-UHFFFAOYSA-N 1 2 242.282 1.372 20 30 BDEDLO COc1ncnc(N)c1C=[NH+]NC1CCCCC1 ZINC000786042382 585886039 /nfs/dbraw/zinc/88/60/39/585886039.db2.gz UBFOERFHGLXLRE-UHFFFAOYSA-N 1 2 249.318 1.324 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)CC1(C)CC1 ZINC000787107614 585901366 /nfs/dbraw/zinc/90/13/66/585901366.db2.gz QLGWQWCHCWAFOD-UHFFFAOYSA-N 1 2 211.305 1.838 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)CC1(C)CC1 ZINC000787107614 585901367 /nfs/dbraw/zinc/90/13/67/585901367.db2.gz QLGWQWCHCWAFOD-UHFFFAOYSA-N 1 2 211.305 1.838 20 30 BDEDLO Cc1cccn2cc(CC(=O)NCCC#N)[nH+]c12 ZINC000787618939 585912920 /nfs/dbraw/zinc/91/29/20/585912920.db2.gz CIPMJHGWOPGDJW-UHFFFAOYSA-N 1 2 242.282 1.215 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788480657 585925395 /nfs/dbraw/zinc/92/53/95/585925395.db2.gz CHZGTXTWSFKBIW-UHFFFAOYSA-N 1 2 246.241 1.802 20 30 BDEDLO C#CCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000788779138 585930251 /nfs/dbraw/zinc/93/02/51/585930251.db2.gz VIQYPMDUHQKEGM-GFCCVEGCSA-N 1 2 241.298 1.292 20 30 BDEDLO N#Cc1ccccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789606988 585946165 /nfs/dbraw/zinc/94/61/65/585946165.db2.gz AVQJESIUDXMYIF-GFCCVEGCSA-N 1 2 245.282 1.736 20 30 BDEDLO CC(N=Nc1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000790158419 585958837 /nfs/dbraw/zinc/95/88/37/585958837.db2.gz QTBRDDXRQVMESC-UHFFFAOYSA-N 1 2 246.230 1.549 20 30 BDEDLO Cn1cc[nH+]c1NN=C1CCc2c1cccc2O ZINC000790300333 585962824 /nfs/dbraw/zinc/96/28/24/585962824.db2.gz UEYROMWJNWTYDJ-UHFFFAOYSA-N 1 2 242.282 1.888 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccc(C#N)c1 ZINC000790302672 585963078 /nfs/dbraw/zinc/96/30/78/585963078.db2.gz WSZUYFVISREUPC-UHFFFAOYSA-N 1 2 225.255 1.738 20 30 BDEDLO CCn1cc(C(=O)/C=C/c2cn(C)c[nH+]2)cn1 ZINC000798231462 586141243 /nfs/dbraw/zinc/14/12/43/586141243.db2.gz LOYUVBNDEKYLGK-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO C=C[C@H]([NH2+]CC1Cc2ccccc2C1)C(=O)OC ZINC000799978845 586204482 /nfs/dbraw/zinc/20/44/82/586204482.db2.gz ROOGEYRNZLEVMU-AWEZNQCLSA-N 1 2 245.322 1.719 20 30 BDEDLO Cc1c(C(=O)/C=C/c2cn(C)c[nH+]2)cnn1C ZINC000800794947 586229366 /nfs/dbraw/zinc/22/93/66/586229366.db2.gz VBSGJAOFTUZTJL-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cc(O)ccc2O)c1 ZINC000800794846 586229604 /nfs/dbraw/zinc/22/96/04/586229604.db2.gz RMRRKRYYYTWRIF-DUXPYHPUSA-N 1 2 244.250 1.727 20 30 BDEDLO CC(=NN[C@H]1CCCOC1)c1cn(C)c(C)[nH+]1 ZINC000800816132 586232036 /nfs/dbraw/zinc/23/20/36/586232036.db2.gz BINXMATZTGFFGT-NSHDSACASA-N 1 2 236.319 1.221 20 30 BDEDLO Cc1ccccc1C(N)=[NH+]OCCO[C@@H](C)C#N ZINC000802724338 586311123 /nfs/dbraw/zinc/31/11/23/586311123.db2.gz ABKBWGPKJPDFJB-NSHDSACASA-N 1 2 247.298 1.770 20 30 BDEDLO C[C@H](C#N)OCCO[NH+]=C(N)COC(C)(C)C ZINC000802735312 586311790 /nfs/dbraw/zinc/31/17/90/586311790.db2.gz OCGUCXXDRFXWPL-SECBINFHSA-N 1 2 243.307 1.229 20 30 BDEDLO C#CCC(CC#C)C(=O)OCCCn1cc[nH+]c1 ZINC000803701585 586369987 /nfs/dbraw/zinc/36/99/87/586369987.db2.gz YOBHWBZEUYXSGX-UHFFFAOYSA-N 1 2 244.294 1.479 20 30 BDEDLO C#Cc1cncc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000806819128 586419167 /nfs/dbraw/zinc/41/91/67/586419167.db2.gz AQCQRCBWJUEEAR-UHFFFAOYSA-N 1 2 240.266 1.058 20 30 BDEDLO COCC[N@H+](CCC#N)CCC(=O)C(C)C ZINC000808733452 586485745 /nfs/dbraw/zinc/48/57/45/586485745.db2.gz SEWPVGZWMZYUKO-UHFFFAOYSA-N 1 2 226.320 1.464 20 30 BDEDLO COCC[N@@H+](CCC#N)CCC(=O)C(C)C ZINC000808733452 586485747 /nfs/dbraw/zinc/48/57/47/586485747.db2.gz SEWPVGZWMZYUKO-UHFFFAOYSA-N 1 2 226.320 1.464 20 30 BDEDLO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)CC#N ZINC000809571196 586506938 /nfs/dbraw/zinc/50/69/38/586506938.db2.gz KUDCLRMYTZTVLJ-GHMZBOCLSA-N 1 2 219.288 1.139 20 30 BDEDLO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)CC#N ZINC000809571196 586506940 /nfs/dbraw/zinc/50/69/40/586506940.db2.gz KUDCLRMYTZTVLJ-GHMZBOCLSA-N 1 2 219.288 1.139 20 30 BDEDLO CON=CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000809584420 586508575 /nfs/dbraw/zinc/50/85/75/586508575.db2.gz PCYPLZOKDIRSPC-UHFFFAOYSA-N 1 2 244.254 1.443 20 30 BDEDLO CN(C)c1ncc(C=[NH+]Nc2ccccn2)n1C ZINC000811632106 586562242 /nfs/dbraw/zinc/56/22/42/586562242.db2.gz ZYVQVHRXCMPDPN-UHFFFAOYSA-N 1 2 244.302 1.327 20 30 BDEDLO C#CCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000812235954 586571707 /nfs/dbraw/zinc/57/17/07/586571707.db2.gz FBCNICZNRSJHMP-UHFFFAOYSA-N 1 2 209.274 1.193 20 30 BDEDLO COCCC/[NH+]=C/c1c(O)cccc1OC ZINC000812390268 586575376 /nfs/dbraw/zinc/57/53/76/586575376.db2.gz VZJAVCRKGUQQJW-UKTHLTGXSA-N 1 2 223.272 1.856 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000812484367 586577781 /nfs/dbraw/zinc/57/77/81/586577781.db2.gz BDWRCPHSUDGPSK-CHWSQXEVSA-N 1 2 234.343 1.200 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CCCC2CC2)CC1 ZINC000812484583 586578044 /nfs/dbraw/zinc/57/80/44/586578044.db2.gz FTNPTYNCCXEKQU-UHFFFAOYSA-N 1 2 234.343 1.344 20 30 BDEDLO C#CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000840263294 586583052 /nfs/dbraw/zinc/58/30/52/586583052.db2.gz OIFNKQVJFZCIAD-UHFFFAOYSA-N 1 2 202.261 1.486 20 30 BDEDLO C#CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000840263294 586583053 /nfs/dbraw/zinc/58/30/53/586583053.db2.gz OIFNKQVJFZCIAD-UHFFFAOYSA-N 1 2 202.261 1.486 20 30 BDEDLO C#CCCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000813376564 586601482 /nfs/dbraw/zinc/60/14/82/586601482.db2.gz PQHKWDJCQYBKNX-ZDUSSCGKSA-N 1 2 235.331 1.140 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2cn(C)[nH]c2=O)nc1 ZINC000814220980 586618049 /nfs/dbraw/zinc/61/80/49/586618049.db2.gz NNOCKDIACZRXQK-UHFFFAOYSA-N 1 2 231.259 1.275 20 30 BDEDLO CC(=[NH+]OCc1cccnc1)c1ccc(N)nc1 ZINC000814883863 586642753 /nfs/dbraw/zinc/64/27/53/586642753.db2.gz FAGKVXJWIVAMCK-UHFFFAOYSA-N 1 2 242.282 2.000 20 30 BDEDLO C[C@@H](O)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000814961609 586659901 /nfs/dbraw/zinc/65/99/01/586659901.db2.gz NSVUHKJYLCYIOA-LLVKDONJSA-N 1 2 248.330 1.008 20 30 BDEDLO CCC(=[NH+]Nc1cnnn1C)c1cccc(N)c1 ZINC000814982401 586663621 /nfs/dbraw/zinc/66/36/21/586663621.db2.gz YQUZTUYBUAPMNV-UHFFFAOYSA-N 1 2 244.302 1.624 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cnn(C)c1Cl ZINC000816591128 586742872 /nfs/dbraw/zinc/74/28/72/586742872.db2.gz VPNXUKPWIDWSIR-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cnn(C)c1Cl ZINC000816591128 586742873 /nfs/dbraw/zinc/74/28/73/586742873.db2.gz VPNXUKPWIDWSIR-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO CC1(C)CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C#N ZINC000816973995 586775602 /nfs/dbraw/zinc/77/56/02/586775602.db2.gz NVQJTBGMIRZJBY-SNVBAGLBSA-N 1 2 246.314 1.493 20 30 BDEDLO c1c[nH+]c2c(c1)CCC(=NN[C@H]1CCOC1)CC2 ZINC000817328021 586794895 /nfs/dbraw/zinc/79/48/95/586794895.db2.gz VDTSHCCUXHZNDZ-ZDUSSCGKSA-N 1 2 245.326 1.695 20 30 BDEDLO c1nc(N=NC2CCc3ccc[nH+]c3CC2)n[nH]1 ZINC000817329053 586795416 /nfs/dbraw/zinc/79/54/16/586795416.db2.gz QPTAMRRKQVWJMW-UHFFFAOYSA-N 1 2 242.286 1.547 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(F)=C2CCC2)CC1 ZINC000819278478 586947187 /nfs/dbraw/zinc/94/71/87/586947187.db2.gz FZVOSHAAOMKOHZ-UHFFFAOYSA-N 1 2 236.290 1.171 20 30 BDEDLO CNC(=S)N(C)N=Cc1c[nH+]cn1C(C)C ZINC000819812632 586997155 /nfs/dbraw/zinc/99/71/55/586997155.db2.gz FIGRZKRUXZMJOU-UHFFFAOYSA-N 1 2 239.348 1.234 20 30 BDEDLO COCCN(C)N=Cc1c[nH+]cn1C(C)C ZINC000819812511 586997199 /nfs/dbraw/zinc/99/71/99/586997199.db2.gz CVRFGQOACLFENM-UHFFFAOYSA-N 1 2 224.308 1.376 20 30 BDEDLO Cc1cc(N[C@H]2CCn3cc[nH+]c32)c(C#N)cn1 ZINC000819929645 587002928 /nfs/dbraw/zinc/00/29/28/587002928.db2.gz AIWPQUYBIPGMPC-NSHDSACASA-N 1 2 239.282 1.437 20 30 BDEDLO C#CC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000860170000 589085430 /nfs/dbraw/zinc/08/54/30/589085430.db2.gz GXQAWPLEGCOXBQ-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO C#CC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000860170000 589085431 /nfs/dbraw/zinc/08/54/31/589085431.db2.gz GXQAWPLEGCOXBQ-UHFFFAOYSA-N 1 2 205.232 1.653 20 30 BDEDLO C[C@H](C(=O)Nc1cc(C#N)ccc1O)[NH+](C)C ZINC000821349173 587110419 /nfs/dbraw/zinc/11/04/19/587110419.db2.gz MMSALLSFGTUADE-MRVPVSSYSA-N 1 2 233.271 1.152 20 30 BDEDLO C=C(CC)CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822012944 587149101 /nfs/dbraw/zinc/14/91/01/587149101.db2.gz SSZNBNSGBYRJRL-WAYWQWQTSA-N 1 2 219.288 1.516 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000823793820 587240730 /nfs/dbraw/zinc/24/07/30/587240730.db2.gz TTYJTJRCKLFWQL-VHSXEESVSA-N 1 2 234.303 1.144 20 30 BDEDLO C=C[C@H](CC)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824629307 587280320 /nfs/dbraw/zinc/28/03/20/587280320.db2.gz SJAMJYVSCIPWGP-SNVBAGLBSA-N 1 2 221.304 1.970 20 30 BDEDLO C=C[C@H](CC)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824629307 587280321 /nfs/dbraw/zinc/28/03/21/587280321.db2.gz SJAMJYVSCIPWGP-SNVBAGLBSA-N 1 2 221.304 1.970 20 30 BDEDLO C#CC[N@@H+](Cc1ccnn1CCC)C1CC1 ZINC000825519382 587322370 /nfs/dbraw/zinc/32/23/70/587322370.db2.gz DOKQJDPEZCZQSQ-UHFFFAOYSA-N 1 2 217.316 1.891 20 30 BDEDLO C#CC[N@H+](Cc1ccnn1CCC)C1CC1 ZINC000825519382 587322372 /nfs/dbraw/zinc/32/23/72/587322372.db2.gz DOKQJDPEZCZQSQ-UHFFFAOYSA-N 1 2 217.316 1.891 20 30 BDEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC000826990622 587367389 /nfs/dbraw/zinc/36/73/89/587367389.db2.gz KFCFNKPEYFOJHZ-UHFFFAOYSA-N 1 2 201.273 1.736 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000827518994 587385531 /nfs/dbraw/zinc/38/55/31/587385531.db2.gz HDBLUEZSKPUPMM-LBPRGKRZSA-N 1 2 234.343 1.200 20 30 BDEDLO C#CC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000830321532 587545751 /nfs/dbraw/zinc/54/57/51/587545751.db2.gz PYTUVGKPUOHXOV-UHFFFAOYSA-N 1 2 231.299 1.792 20 30 BDEDLO CCCCCCCN1CC[N@H+](CCO)C[C@@H]1C ZINC000832783201 587689461 /nfs/dbraw/zinc/68/94/61/587689461.db2.gz OYAHUVMNGZYVAE-AWEZNQCLSA-N 1 2 242.407 1.955 20 30 BDEDLO CCCCCCCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000832783201 587689462 /nfs/dbraw/zinc/68/94/62/587689462.db2.gz OYAHUVMNGZYVAE-AWEZNQCLSA-N 1 2 242.407 1.955 20 30 BDEDLO CC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(N)nc1 ZINC000834998955 587776765 /nfs/dbraw/zinc/77/67/65/587776765.db2.gz OPKDCENYRPKMRC-SSDOTTSWSA-N 1 2 246.236 1.928 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836422474 587832736 /nfs/dbraw/zinc/83/27/36/587832736.db2.gz OUEXQOBSSYPRSG-MNOVXSKESA-N 1 2 246.314 1.429 20 30 BDEDLO C#CCCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000836950319 587843629 /nfs/dbraw/zinc/84/36/29/587843629.db2.gz SFYRJUWJMJTCJG-NSHDSACASA-N 1 2 233.315 1.884 20 30 BDEDLO Cc1cc(C)c(CNC(=O)C#CC2CC2)c[nH+]1 ZINC000837692395 587891390 /nfs/dbraw/zinc/89/13/90/587891390.db2.gz OXQLPEMUCMTHTD-UHFFFAOYSA-N 1 2 228.295 1.728 20 30 BDEDLO Cn1ncc(CCC/[NH+]=C/c2ccccc2O)n1 ZINC000840705378 587916847 /nfs/dbraw/zinc/91/68/47/587916847.db2.gz FRZNYSUNLQSJLL-NTEUORMPSA-N 1 2 244.298 1.572 20 30 BDEDLO C#Cc1cccc(C[NH2+][C@H](C(=O)OC)C2CC2)c1 ZINC000842156234 588004215 /nfs/dbraw/zinc/00/42/15/588004215.db2.gz HDDAXUOXEXGXQN-AWEZNQCLSA-N 1 2 243.306 1.709 20 30 BDEDLO C=CCCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842658322 588049998 /nfs/dbraw/zinc/04/99/98/588049998.db2.gz QXMASRZSZNXIQR-NSHDSACASA-N 1 2 242.319 1.647 20 30 BDEDLO C=C(C)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842659012 588050122 /nfs/dbraw/zinc/05/01/22/588050122.db2.gz VOZNGGZFDJRPEO-JTQLQIEISA-N 1 2 228.292 1.257 20 30 BDEDLO C=C[C@H](C)ONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000844282879 588180407 /nfs/dbraw/zinc/18/04/07/588180407.db2.gz YKPSQXNGXLDBAD-ZJUUUORDSA-N 1 2 238.291 1.077 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844304814 588182415 /nfs/dbraw/zinc/18/24/15/588182415.db2.gz WWNJYVSHFILLBN-GXSJLCMTSA-N 1 2 237.303 1.204 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844304814 588182416 /nfs/dbraw/zinc/18/24/16/588182416.db2.gz WWNJYVSHFILLBN-GXSJLCMTSA-N 1 2 237.303 1.204 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CCCO1 ZINC000844323037 588184396 /nfs/dbraw/zinc/18/43/96/588184396.db2.gz STKZIQVFXPGFOI-KBPBESRZSA-N 1 2 245.326 1.100 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccco1 ZINC000844531227 588201052 /nfs/dbraw/zinc/20/10/52/588201052.db2.gz NGSNOACBRNXLMX-YBJDMEARSA-N 1 2 247.298 1.253 20 30 BDEDLO C[C@H](CC(=O)OC[C@@H](C)C#N)n1cc[nH+]c1 ZINC000845496032 588230779 /nfs/dbraw/zinc/23/07/79/588230779.db2.gz ZIGZGYMZQYRALC-VHSXEESVSA-N 1 2 221.260 1.537 20 30 BDEDLO CCONC(=O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000846080751 588255610 /nfs/dbraw/zinc/25/56/10/588255610.db2.gz JVWOVMGLTBALJN-UHFFFAOYSA-N 1 2 239.319 1.116 20 30 BDEDLO C=C(C)CONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846532010 588270232 /nfs/dbraw/zinc/27/02/32/588270232.db2.gz KZWOBBCEOOPHJQ-JTQLQIEISA-N 1 2 223.276 1.458 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC000847019464 588302119 /nfs/dbraw/zinc/30/21/19/588302119.db2.gz QQOHYSCXOUMBFY-GFCCVEGCSA-N 1 2 232.331 1.452 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC000847019464 588302120 /nfs/dbraw/zinc/30/21/20/588302120.db2.gz QQOHYSCXOUMBFY-GFCCVEGCSA-N 1 2 232.331 1.452 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(CCOC)no2)C1 ZINC000847022368 588303289 /nfs/dbraw/zinc/30/32/89/588303289.db2.gz HBDKDCUZCOCUDA-NSHDSACASA-N 1 2 249.314 1.104 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(CCOC)no2)C1 ZINC000847022368 588303290 /nfs/dbraw/zinc/30/32/90/588303290.db2.gz HBDKDCUZCOCUDA-NSHDSACASA-N 1 2 249.314 1.104 20 30 BDEDLO C#CCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847533430 588315891 /nfs/dbraw/zinc/31/58/91/588315891.db2.gz YRVUREHKLLEZKP-SNVBAGLBSA-N 1 2 219.288 1.118 20 30 BDEDLO C#CCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847533430 588315892 /nfs/dbraw/zinc/31/58/92/588315892.db2.gz YRVUREHKLLEZKP-SNVBAGLBSA-N 1 2 219.288 1.118 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)NCCC#N)ccn12 ZINC000847968113 588346000 /nfs/dbraw/zinc/34/60/00/588346000.db2.gz DMIUDPANCAJIAP-UHFFFAOYSA-N 1 2 228.255 1.286 20 30 BDEDLO C#CCCCC(=O)NCc1[nH+]ccn1CC ZINC000848174517 588365213 /nfs/dbraw/zinc/36/52/13/588365213.db2.gz MZFBRHRDFVLEHD-UHFFFAOYSA-N 1 2 219.288 1.323 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000848279510 588369850 /nfs/dbraw/zinc/36/98/50/588369850.db2.gz NMWQJJZGWUEXHT-LLVKDONJSA-N 1 2 231.299 1.214 20 30 BDEDLO C[C@H]1OCC(N=NCCCn2cc[nH+]c2)[C@@H]1C ZINC000848416145 588381043 /nfs/dbraw/zinc/38/10/43/588381043.db2.gz ARMQSSMYHNYGII-GHMZBOCLSA-N 1 2 236.319 1.274 20 30 BDEDLO CCn1cccc1C=NNCCCn1cc[nH+]c1 ZINC000848416388 588381349 /nfs/dbraw/zinc/38/13/49/588381349.db2.gz JNNJZOVWNONVEH-UHFFFAOYSA-N 1 2 245.330 1.718 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000848417315 588381570 /nfs/dbraw/zinc/38/15/70/588381570.db2.gz UJPUTWMTRYYCOT-UHFFFAOYSA-N 1 2 232.291 1.010 20 30 BDEDLO COCC(N=NCCCn1cc[nH+]c1)C(C)C ZINC000848418426 588382283 /nfs/dbraw/zinc/38/22/83/588382283.db2.gz MOGVHUSLGFFBRD-UHFFFAOYSA-N 1 2 238.335 1.521 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1cccnc1 ZINC000848419977 588382995 /nfs/dbraw/zinc/38/29/95/588382995.db2.gz LLMCVWXTDXBHAZ-UHFFFAOYSA-N 1 2 229.287 1.292 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000848493943 588387795 /nfs/dbraw/zinc/38/77/95/588387795.db2.gz MXQULENEGWIDRB-SNVBAGLBSA-N 1 2 242.269 1.157 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000848493943 588387798 /nfs/dbraw/zinc/38/77/98/588387798.db2.gz MXQULENEGWIDRB-SNVBAGLBSA-N 1 2 242.269 1.157 20 30 BDEDLO C#CC[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000848707154 588407131 /nfs/dbraw/zinc/40/71/31/588407131.db2.gz DDBJEPGNQNCSEH-SECBINFHSA-N 1 2 230.271 1.062 20 30 BDEDLO COC(=O)/C=C/c1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000848902275 588418359 /nfs/dbraw/zinc/41/83/59/588418359.db2.gz MLNPYVBDPNVKCV-PORFMDCZSA-N 1 2 248.282 1.715 20 30 BDEDLO Cn1c(Cl)ncc1C[NH2+]CC1(C#N)CC1 ZINC000848908657 588419465 /nfs/dbraw/zinc/41/94/65/588419465.db2.gz ZXJREXCORJBDLZ-UHFFFAOYSA-N 1 2 224.695 1.467 20 30 BDEDLO CCn1cc(C/[NH+]=C/c2ccccc2O)nn1 ZINC000849172323 588459953 /nfs/dbraw/zinc/45/99/53/588459953.db2.gz QDEOGLGNCJDSQL-NTUHNPAUSA-N 1 2 230.271 1.623 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000850146730 588521964 /nfs/dbraw/zinc/52/19/64/588521964.db2.gz VBYHVNUFSNOXJE-UHFFFAOYSA-N 1 2 211.696 1.671 20 30 BDEDLO C[N@H+](Cc1cnon1)Cc1cccc(C#N)c1 ZINC000851715399 588616095 /nfs/dbraw/zinc/61/60/95/588616095.db2.gz SXRWEUYVVYILIK-UHFFFAOYSA-N 1 2 228.255 1.573 20 30 BDEDLO C[N@@H+](Cc1cnon1)Cc1cccc(C#N)c1 ZINC000851715399 588616096 /nfs/dbraw/zinc/61/60/96/588616096.db2.gz SXRWEUYVVYILIK-UHFFFAOYSA-N 1 2 228.255 1.573 20 30 BDEDLO COC(CC[N@H+](CC#N)C1CCCC1)OC ZINC000851777863 588626936 /nfs/dbraw/zinc/62/69/36/588626936.db2.gz AQLQSXDJEYLUOV-UHFFFAOYSA-N 1 2 226.320 1.764 20 30 BDEDLO COC(CC[N@@H+](CC#N)C1CCCC1)OC ZINC000851777863 588626937 /nfs/dbraw/zinc/62/69/37/588626937.db2.gz AQLQSXDJEYLUOV-UHFFFAOYSA-N 1 2 226.320 1.764 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccccn1 ZINC000851797549 588629984 /nfs/dbraw/zinc/62/99/84/588629984.db2.gz LAABQQJAGZQZII-LBPRGKRZSA-N 1 2 219.288 1.351 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccccn1 ZINC000851797549 588629985 /nfs/dbraw/zinc/62/99/85/588629985.db2.gz LAABQQJAGZQZII-LBPRGKRZSA-N 1 2 219.288 1.351 20 30 BDEDLO C#CCOCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000851805358 588631052 /nfs/dbraw/zinc/63/10/52/588631052.db2.gz AOXMLAPFPAQAFM-ZDUSSCGKSA-N 1 2 235.283 1.303 20 30 BDEDLO C#CCOCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000851805358 588631053 /nfs/dbraw/zinc/63/10/53/588631053.db2.gz AOXMLAPFPAQAFM-ZDUSSCGKSA-N 1 2 235.283 1.303 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1ccccn1)C1CC1 ZINC000851866837 588636605 /nfs/dbraw/zinc/63/66/05/588636605.db2.gz XGDPLVVXSKYWSQ-SMDDNHRTSA-N 1 2 245.326 1.739 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1ccccn1)C1CC1 ZINC000851866837 588636606 /nfs/dbraw/zinc/63/66/06/588636606.db2.gz XGDPLVVXSKYWSQ-SMDDNHRTSA-N 1 2 245.326 1.739 20 30 BDEDLO N#CCCN1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851873029 588637886 /nfs/dbraw/zinc/63/78/86/588637886.db2.gz UFWRHOYMZQDZCB-UHFFFAOYSA-N 1 2 248.305 1.252 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@@H]1CCCO1 ZINC000851949198 588646999 /nfs/dbraw/zinc/64/69/99/588646999.db2.gz BIVDPKFTYGVFIX-OCCSQVGLSA-N 1 2 246.310 1.822 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1noc(C)n1 ZINC000852103724 588663600 /nfs/dbraw/zinc/66/36/00/588663600.db2.gz POOYAVPATQNSQN-KWQFWETISA-N 1 2 207.277 1.831 20 30 BDEDLO C[C@H](C#N)[N@H+](CC[C@H]1COC(C)(C)O1)C1CC1 ZINC000852481807 588684583 /nfs/dbraw/zinc/68/45/83/588684583.db2.gz QRKHXTMIGFFDPS-PWSUYJOCSA-N 1 2 238.331 1.904 20 30 BDEDLO C[C@H](C#N)[N@@H+](CC[C@H]1COC(C)(C)O1)C1CC1 ZINC000852481807 588684584 /nfs/dbraw/zinc/68/45/84/588684584.db2.gz QRKHXTMIGFFDPS-PWSUYJOCSA-N 1 2 238.331 1.904 20 30 BDEDLO CCN1C[C@H](C[N@@H+]2CC[C@@](C)(C#N)C2)OC1=O ZINC000852687143 588696359 /nfs/dbraw/zinc/69/63/59/588696359.db2.gz PZFOVJFDQGBYSR-JQWIXIFHSA-N 1 2 237.303 1.063 20 30 BDEDLO CCN1C[C@H](C[N@H+]2CC[C@@](C)(C#N)C2)OC1=O ZINC000852687143 588696360 /nfs/dbraw/zinc/69/63/60/588696360.db2.gz PZFOVJFDQGBYSR-JQWIXIFHSA-N 1 2 237.303 1.063 20 30 BDEDLO Cc1oncc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000852687467 588696469 /nfs/dbraw/zinc/69/64/69/588696469.db2.gz UFOWNRGZRFWTQC-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1oncc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000852687467 588696470 /nfs/dbraw/zinc/69/64/70/588696470.db2.gz UFOWNRGZRFWTQC-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nccs1 ZINC000852751254 588700365 /nfs/dbraw/zinc/70/03/65/588700365.db2.gz UVIILJJSEPUJLV-UHFFFAOYSA-N 1 2 224.329 1.615 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nccs1 ZINC000852751254 588700366 /nfs/dbraw/zinc/70/03/66/588700366.db2.gz UVIILJJSEPUJLV-UHFFFAOYSA-N 1 2 224.329 1.615 20 30 BDEDLO COC1CCC(C=[NH+]n2ccnn2)CC1 ZINC000863117977 589260002 /nfs/dbraw/zinc/26/00/02/589260002.db2.gz JBZSUFKRKUCZLU-UHFFFAOYSA-N 1 2 208.265 1.317 20 30 BDEDLO Cc1c[nH]ccc1=NN=Cc1c[nH+]c2n1CCC2 ZINC000863158225 589263601 /nfs/dbraw/zinc/26/36/01/589263601.db2.gz RPFPVLGDUHMYGV-UHFFFAOYSA-N 1 2 241.298 1.401 20 30 BDEDLO C#CCCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477998 589292025 /nfs/dbraw/zinc/29/20/25/589292025.db2.gz GMTAHXLYIPAGBR-UHFFFAOYSA-N 1 2 224.304 1.857 20 30 BDEDLO C=CCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000864429256 589362394 /nfs/dbraw/zinc/36/23/94/589362394.db2.gz OZNVHASPHUCLJU-UHFFFAOYSA-N 1 2 246.314 1.229 20 30 BDEDLO Cn1nccc1C(=O)/C=C\c1cn(C2CC2)c[nH+]1 ZINC000865225079 589414712 /nfs/dbraw/zinc/41/47/12/589414712.db2.gz YILMAPRDLYNTAL-DJWKRKHSSA-N 1 2 242.282 1.848 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn(C2CC2)cn1)[C@@H]1CCCO1 ZINC000865530906 589443812 /nfs/dbraw/zinc/44/38/12/589443812.db2.gz CXWPVHMUPMKXFF-KBPBESRZSA-N 1 2 245.326 1.488 20 30 BDEDLO C=CCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000120804011 589469086 /nfs/dbraw/zinc/46/90/86/589469086.db2.gz QSGXAVDGZHLIAJ-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO C#CCCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000120808457 589469377 /nfs/dbraw/zinc/46/93/77/589469377.db2.gz ZDWWMEDUDHKHEP-NSHDSACASA-N 1 2 241.356 1.380 20 30 BDEDLO CO[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866347039 589487406 /nfs/dbraw/zinc/48/74/06/589487406.db2.gz ZGLRKDDUKOQWCK-UWVGGRQHSA-N 1 2 234.299 1.949 20 30 BDEDLO C#C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000868615481 589568388 /nfs/dbraw/zinc/56/83/88/589568388.db2.gz KGGXHCWJTXHYHA-JTQLQIEISA-N 1 2 248.330 1.599 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCCc1ccccc1 ZINC000123325841 589690742 /nfs/dbraw/zinc/69/07/42/589690742.db2.gz QCZYYPQQOAEQEE-SNVBAGLBSA-N 1 2 222.288 1.553 20 30 BDEDLO C(=NN1CCC1)c1cccc2[nH+]ccn21 ZINC000872397467 589933695 /nfs/dbraw/zinc/93/36/95/589933695.db2.gz RLEIYOLAFGGQDB-UHFFFAOYSA-N 1 2 200.245 1.374 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OC/C(Cl)=C/Cl ZINC000124399708 589984141 /nfs/dbraw/zinc/98/41/41/589984141.db2.gz XMZOSEZDHRRIKT-NSHLVMESSA-N 1 2 227.091 1.629 20 30 BDEDLO C=C(Br)C[NH2+]Cc1nccn1CC ZINC000125244888 590159408 /nfs/dbraw/zinc/15/94/08/590159408.db2.gz CLBGSQLCPLGPND-UHFFFAOYSA-N 1 2 244.136 1.901 20 30 BDEDLO C=C(C)COCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000125621817 590173872 /nfs/dbraw/zinc/17/38/72/590173872.db2.gz ZKRJZCNUMKRHJW-LLVKDONJSA-N 1 2 243.347 1.899 20 30 BDEDLO C[N@H+](CCO)Cc1cc(C#N)cnc1Cl ZINC000876525279 590208747 /nfs/dbraw/zinc/20/87/47/590208747.db2.gz HZEOIZAVCDSHPU-UHFFFAOYSA-N 1 2 225.679 1.031 20 30 BDEDLO C[N@@H+](CCO)Cc1cc(C#N)cnc1Cl ZINC000876525279 590208748 /nfs/dbraw/zinc/20/87/48/590208748.db2.gz HZEOIZAVCDSHPU-UHFFFAOYSA-N 1 2 225.679 1.031 20 30 BDEDLO COc1cnc(F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000876652918 590226323 /nfs/dbraw/zinc/22/63/23/590226323.db2.gz IKVWMGMKEOCLIC-UHFFFAOYSA-N 1 2 249.289 1.965 20 30 BDEDLO N#Cc1cccc(C[NH+]2CCC(C#N)CC2)n1 ZINC000876652962 590226457 /nfs/dbraw/zinc/22/64/57/590226457.db2.gz JDYGQXVLQNDMEJ-UHFFFAOYSA-N 1 2 226.283 1.689 20 30 BDEDLO COc1cnc(F)c(C[NH2+]C[C@@H](C)C#N)c1 ZINC000877321329 590316009 /nfs/dbraw/zinc/31/60/09/590316009.db2.gz IMPGETYJPGQODQ-QMMMGPOBSA-N 1 2 223.251 1.479 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000877321803 590316123 /nfs/dbraw/zinc/31/61/23/590316123.db2.gz SUVDQSLFICPTRP-QMMMGPOBSA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)cnc1F ZINC000877479757 590336989 /nfs/dbraw/zinc/33/69/89/590336989.db2.gz GJMJHMXCAVFNOB-SECBINFHSA-N 1 2 222.263 1.683 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)cnc1F ZINC000877479757 590336991 /nfs/dbraw/zinc/33/69/91/590336991.db2.gz GJMJHMXCAVFNOB-SECBINFHSA-N 1 2 222.263 1.683 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877514226 590344767 /nfs/dbraw/zinc/34/47/67/590344767.db2.gz KQELAQWXMHBXQW-ZCFIWIBFSA-N 1 2 200.694 1.908 20 30 BDEDLO C#CCOc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000877581174 590365611 /nfs/dbraw/zinc/36/56/11/590365611.db2.gz PHNACWAVKCOAIZ-UHFFFAOYSA-N 1 2 231.295 1.265 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C(=O)OC ZINC000877582529 590367300 /nfs/dbraw/zinc/36/73/00/590367300.db2.gz ADEAQBGMKDBSHB-CIUDSAMLSA-N 1 2 231.242 1.185 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccoc1 ZINC000877988215 590466762 /nfs/dbraw/zinc/46/67/62/590466762.db2.gz CSOPYQDWYNVGBG-LLVKDONJSA-N 1 2 223.272 1.829 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccoc1 ZINC000877988215 590466763 /nfs/dbraw/zinc/46/67/63/590466763.db2.gz CSOPYQDWYNVGBG-LLVKDONJSA-N 1 2 223.272 1.829 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](CC=C)CCOC ZINC000878503320 590581729 /nfs/dbraw/zinc/58/17/29/590581729.db2.gz QPODHCNQAFZUOR-LLVKDONJSA-N 1 2 227.304 1.239 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](CC=C)CCOC ZINC000878503320 590581731 /nfs/dbraw/zinc/58/17/31/590581731.db2.gz QPODHCNQAFZUOR-LLVKDONJSA-N 1 2 227.304 1.239 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000878514400 590584973 /nfs/dbraw/zinc/58/49/73/590584973.db2.gz SAGFQYPETSCQQL-UHFFFAOYSA-N 1 2 236.275 1.172 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000878514400 590584975 /nfs/dbraw/zinc/58/49/75/590584975.db2.gz SAGFQYPETSCQQL-UHFFFAOYSA-N 1 2 236.275 1.172 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000878664535 590605893 /nfs/dbraw/zinc/60/58/93/590605893.db2.gz KQZLGIPUMAECOU-NXEZZACHSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)C(=O)OC ZINC000878673095 590607378 /nfs/dbraw/zinc/60/73/78/590607378.db2.gz VZHHWZBYRAFVLC-GARJFASQSA-N 1 2 241.331 1.507 20 30 BDEDLO C#CC[N@@H+](Cc1c(C)noc1C)C1CSC1 ZINC000878909394 590644895 /nfs/dbraw/zinc/64/48/95/590644895.db2.gz BNEAQARTKOVHAM-UHFFFAOYSA-N 1 2 236.340 1.842 20 30 BDEDLO C#CC[N@H+](Cc1c(C)noc1C)C1CSC1 ZINC000878909394 590644899 /nfs/dbraw/zinc/64/48/99/590644899.db2.gz BNEAQARTKOVHAM-UHFFFAOYSA-N 1 2 236.340 1.842 20 30 BDEDLO C#CC[N@H+](Cc1ccc(C#N)o1)C1CSC1 ZINC000878909234 590645665 /nfs/dbraw/zinc/64/56/65/590645665.db2.gz PBZFCVPMEZDXDY-UHFFFAOYSA-N 1 2 232.308 1.702 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(C#N)o1)C1CSC1 ZINC000878909234 590645667 /nfs/dbraw/zinc/64/56/67/590645667.db2.gz PBZFCVPMEZDXDY-UHFFFAOYSA-N 1 2 232.308 1.702 20 30 BDEDLO C#CC[N@@H+](Cc1cnccc1C)C1CSC1 ZINC000878911420 590649187 /nfs/dbraw/zinc/64/91/87/590649187.db2.gz LEBZEVLEHFQTFY-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@H+](Cc1cnccc1C)C1CSC1 ZINC000878911420 590649188 /nfs/dbraw/zinc/64/91/88/590649188.db2.gz LEBZEVLEHFQTFY-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO CC#CCOC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127427340 590656860 /nfs/dbraw/zinc/65/68/60/590656860.db2.gz VCBIPKHVXWTAOE-UHFFFAOYSA-N 1 2 241.250 1.447 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CCC1CCCC1 ZINC000879473711 590776792 /nfs/dbraw/zinc/77/67/92/590776792.db2.gz LILWPUQJWAZDSZ-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CCC1CCCC1 ZINC000879473711 590776795 /nfs/dbraw/zinc/77/67/95/590776795.db2.gz LILWPUQJWAZDSZ-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO COC(=O)c1ccc2c(c1)CC[N@@H+](CCC#N)C2 ZINC000880349900 591009277 /nfs/dbraw/zinc/00/92/77/591009277.db2.gz ITOIJLXDRIHLNZ-UHFFFAOYSA-N 1 2 244.294 1.745 20 30 BDEDLO COC(=O)c1ccc2c(c1)CC[N@H+](CCC#N)C2 ZINC000880349900 591009282 /nfs/dbraw/zinc/00/92/82/591009282.db2.gz ITOIJLXDRIHLNZ-UHFFFAOYSA-N 1 2 244.294 1.745 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2nccc(C)n2)CC1 ZINC000880481485 591055796 /nfs/dbraw/zinc/05/57/96/591055796.db2.gz VFVMNCWWVRDNAH-UHFFFAOYSA-N 1 2 245.326 1.135 20 30 BDEDLO N#Cc1ccc(F)c(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880483757 591056777 /nfs/dbraw/zinc/05/67/77/591056777.db2.gz IMUDKWOCMWNJEJ-LBPRGKRZSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880483757 591056778 /nfs/dbraw/zinc/05/67/78/591056778.db2.gz IMUDKWOCMWNJEJ-LBPRGKRZSA-N 1 2 232.258 1.430 20 30 BDEDLO C=CC(C)(C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000880657550 591120325 /nfs/dbraw/zinc/12/03/25/591120325.db2.gz XRVFWECIDGVHQY-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO C=CC(C)(C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000880657550 591120326 /nfs/dbraw/zinc/12/03/26/591120326.db2.gz XRVFWECIDGVHQY-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO C#CCCCCNc1cc(CO)cc[nH+]1 ZINC000882084172 591295170 /nfs/dbraw/zinc/29/51/70/591295170.db2.gz ALVQMLCUZFPLKR-UHFFFAOYSA-N 1 2 204.273 1.789 20 30 BDEDLO CC#CC[C@@H](CO)Nc1nc[nH+]c(C)c1C ZINC000882518506 591381474 /nfs/dbraw/zinc/38/14/74/591381474.db2.gz DAQRXYQPJCXWRW-NSHDSACASA-N 1 2 219.288 1.280 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000883006270 591507128 /nfs/dbraw/zinc/50/71/28/591507128.db2.gz NHURWVXDCWRKMO-JTQLQIEISA-N 1 2 207.277 1.524 20 30 BDEDLO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000883390220 591641804 /nfs/dbraw/zinc/64/18/04/591641804.db2.gz IDTMMXJXYPBPRZ-MWLCHTKSSA-N 1 2 223.320 1.696 20 30 BDEDLO N#CC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000134755475 591949160 /nfs/dbraw/zinc/94/91/60/591949160.db2.gz NBNCXQYERPFHFT-CYBMUJFWSA-N 1 2 247.342 1.438 20 30 BDEDLO C=C(Cl)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000134816564 591951872 /nfs/dbraw/zinc/95/18/72/591951872.db2.gz QJGKQNUTPNVXOX-UHFFFAOYSA-N 1 2 249.701 1.746 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc[nH+]c(CC)n1 ZINC000884567513 591983736 /nfs/dbraw/zinc/98/37/36/591983736.db2.gz LADQDIUTZCICQL-LLVKDONJSA-N 1 2 233.315 1.879 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@H]1C[C@]12CCOC2)C1CC1 ZINC000886278463 592197613 /nfs/dbraw/zinc/19/76/13/592197613.db2.gz AGSJGBGKTBSAKZ-WZRBSPASSA-N 1 2 220.316 1.789 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@H]1C[C@]12CCOC2)C1CC1 ZINC000886278463 592197615 /nfs/dbraw/zinc/19/76/15/592197615.db2.gz AGSJGBGKTBSAKZ-WZRBSPASSA-N 1 2 220.316 1.789 20 30 BDEDLO NC(Cc1cccnc1)=[NH+]OCc1ccon1 ZINC000137636468 592206451 /nfs/dbraw/zinc/20/64/51/592206451.db2.gz RZDXJBPDTFRWPA-UHFFFAOYSA-N 1 2 232.243 1.101 20 30 BDEDLO C=CC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886958633 592401434 /nfs/dbraw/zinc/40/14/34/592401434.db2.gz BHEOBTUEONOXOM-QWRGUYRKSA-N 1 2 227.304 1.263 20 30 BDEDLO C#CCNC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102080 592443472 /nfs/dbraw/zinc/44/34/72/592443472.db2.gz BAGBZJICEWLXNN-UHFFFAOYSA-N 1 2 244.285 1.246 20 30 BDEDLO C#CCNC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887102080 592443474 /nfs/dbraw/zinc/44/34/74/592443474.db2.gz BAGBZJICEWLXNN-UHFFFAOYSA-N 1 2 244.285 1.246 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CC[C@H](SC)C1)C(=O)OC ZINC000301054152 592527822 /nfs/dbraw/zinc/52/78/22/592527822.db2.gz ZUSGNXFSLVRFPW-GUBZILKMSA-N 1 2 229.345 1.588 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccoc1C(=O)OC ZINC000192230071 592708063 /nfs/dbraw/zinc/70/80/63/592708063.db2.gz SHEGQMADKODDIT-UHFFFAOYSA-N 1 2 207.229 1.131 20 30 BDEDLO C#CC[N@H+](C)Cc1ccoc1C(=O)OC ZINC000192230071 592708067 /nfs/dbraw/zinc/70/80/67/592708067.db2.gz SHEGQMADKODDIT-UHFFFAOYSA-N 1 2 207.229 1.131 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000309247992 631981615 /nfs/dbraw/zinc/98/16/15/631981615.db2.gz CYRUTIWBCKWFHD-SSDOTTSWSA-N 1 2 241.726 1.676 20 30 BDEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000309247992 631981620 /nfs/dbraw/zinc/98/16/20/631981620.db2.gz CYRUTIWBCKWFHD-SSDOTTSWSA-N 1 2 241.726 1.676 20 30 BDEDLO C=C(C)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000309245951 632836720 /nfs/dbraw/zinc/83/67/20/632836720.db2.gz CGSDKZCLWDWXED-UHFFFAOYSA-N 1 2 220.272 1.716 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000926726719 632887309 /nfs/dbraw/zinc/88/73/09/632887309.db2.gz KGOQXPHIUBZJTN-NXEZZACHSA-N 1 2 224.308 1.057 20 30 BDEDLO C=C(Br)C[N@H+]1CCC[C@@H](O)C1 ZINC000048571308 636019082 /nfs/dbraw/zinc/01/90/82/636019082.db2.gz ZZIWQAXZIAGOCN-MRVPVSSYSA-N 1 2 220.110 1.352 20 30 BDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](O)C1 ZINC000048571308 636019086 /nfs/dbraw/zinc/01/90/86/636019086.db2.gz ZZIWQAXZIAGOCN-MRVPVSSYSA-N 1 2 220.110 1.352 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@@H]1CCCO1 ZINC000309502859 633937599 /nfs/dbraw/zinc/93/75/99/633937599.db2.gz BIEJHHFITVLMHX-DCAQKATOSA-N 1 2 219.288 1.241 20 30 BDEDLO COCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000092917323 634359664 /nfs/dbraw/zinc/35/96/64/634359664.db2.gz QRJNIBGBWWXKKZ-UHFFFAOYSA-N 1 2 237.303 1.340 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000893605763 635228322 /nfs/dbraw/zinc/22/83/22/635228322.db2.gz JNDLKBMJBNSJIK-SNVBAGLBSA-N 1 2 232.331 1.691 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000950035105 635230728 /nfs/dbraw/zinc/23/07/28/635230728.db2.gz SPGXTNMISLPOPZ-VXGBXAGGSA-N 1 2 222.332 1.363 20 30 BDEDLO C#CC[N@@H+](Cc1c2c(nn1C)CCOC2)C1CC1 ZINC000893610881 635243571 /nfs/dbraw/zinc/24/35/71/635243571.db2.gz DLDCVAMGZOEYHZ-UHFFFAOYSA-N 1 2 245.326 1.090 20 30 BDEDLO C#CC[N@H+](Cc1c2c(nn1C)CCOC2)C1CC1 ZINC000893610881 635243573 /nfs/dbraw/zinc/24/35/73/635243573.db2.gz DLDCVAMGZOEYHZ-UHFFFAOYSA-N 1 2 245.326 1.090 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000162978270 635276908 /nfs/dbraw/zinc/27/69/08/635276908.db2.gz NWCDCCMDBGWWGC-UHFFFAOYSA-N 1 2 229.663 1.908 20 30 BDEDLO N#C[C@@H]1CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000928215329 635830986 /nfs/dbraw/zinc/83/09/86/635830986.db2.gz YXHZKEWVQABYLI-NSHDSACASA-N 1 2 244.298 1.256 20 30 BDEDLO C#C[C@H]1CCCCN1c1cc(N(C)C)[nH+]cn1 ZINC000897360456 636422327 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C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001017457863 642976328 /nfs/dbraw/zinc/97/63/28/642976328.db2.gz BIZFIOVGJVKYRY-DENSFDLQSA-N 1 2 232.327 1.261 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001017457861 642979749 /nfs/dbraw/zinc/97/97/49/642979749.db2.gz BIZFIOVGJVKYRY-BUVFXISZSA-N 1 2 232.327 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001017457861 642979764 /nfs/dbraw/zinc/97/97/64/642979764.db2.gz BIZFIOVGJVKYRY-BUVFXISZSA-N 1 2 232.327 1.261 20 30 BDEDLO C=C(C)C[N@H+](C)CN1CCSC1=O ZINC000182613991 643043137 /nfs/dbraw/zinc/04/31/37/643043137.db2.gz CSEDEOLYFXHTNC-UHFFFAOYSA-N 1 2 200.307 1.621 20 30 BDEDLO C=C(C)C[N@@H+](C)CN1CCSC1=O ZINC000182613991 643043145 /nfs/dbraw/zinc/04/31/45/643043145.db2.gz CSEDEOLYFXHTNC-UHFFFAOYSA-N 1 2 200.307 1.621 20 30 BDEDLO C=C(C)C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000182621309 643043883 /nfs/dbraw/zinc/04/38/83/643043883.db2.gz KUSXUGPYTVHFHY-UHFFFAOYSA-N 1 2 210.237 1.257 20 30 BDEDLO C=C(C)C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000182621309 643043889 /nfs/dbraw/zinc/04/38/89/643043889.db2.gz KUSXUGPYTVHFHY-UHFFFAOYSA-N 1 2 210.237 1.257 20 30 BDEDLO CC#CCCO[NH+]=C(N)c1ccccc1 ZINC000184900067 643249535 /nfs/dbraw/zinc/24/95/35/643249535.db2.gz WGYQTIQCRMZMJD-UHFFFAOYSA-N 1 2 202.257 1.737 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001032260851 643410579 /nfs/dbraw/zinc/41/05/79/643410579.db2.gz KMSIIMASBPXLBS-QWRGUYRKSA-N 1 2 248.351 1.833 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001032260851 643410585 /nfs/dbraw/zinc/41/05/85/643410585.db2.gz KMSIIMASBPXLBS-QWRGUYRKSA-N 1 2 248.351 1.833 20 30 BDEDLO C=C(Br)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000307206339 643421940 /nfs/dbraw/zinc/42/19/40/643421940.db2.gz KPLYRBOOZDCWGZ-QMMMGPOBSA-N 1 2 247.136 1.105 20 30 BDEDLO C=C(Br)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000307206339 643421942 /nfs/dbraw/zinc/42/19/42/643421942.db2.gz KPLYRBOOZDCWGZ-QMMMGPOBSA-N 1 2 247.136 1.105 20 30 BDEDLO 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Cc1ccc([C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000304817640 644933712 /nfs/dbraw/zinc/93/37/12/644933712.db2.gz ADNIQWPGHKHYQE-CYBMUJFWSA-N 1 2 218.300 1.874 20 30 BDEDLO N#Cc1cscc1C(=O)OCCn1cc[nH+]c1 ZINC000814614581 644942846 /nfs/dbraw/zinc/94/28/46/644942846.db2.gz IDDARHYIKCDHTI-UHFFFAOYSA-N 1 2 247.279 1.673 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]CCC#N)cc1F ZINC000825720640 645063863 /nfs/dbraw/zinc/06/38/63/645063863.db2.gz IEIHCLNLQIURQS-UHFFFAOYSA-N 1 2 236.246 1.616 20 30 BDEDLO C#Cc1cnc(NCCCCn2cc[nH+]c2)nc1 ZINC000827867516 645087578 /nfs/dbraw/zinc/08/75/78/645087578.db2.gz XPCZJHZBMVUENS-UHFFFAOYSA-N 1 2 241.298 1.547 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ncnn2CCC)C1 ZINC000847017257 645416852 /nfs/dbraw/zinc/41/68/52/645416852.db2.gz ALPPSSWJBRWPNL-LBPRGKRZSA-N 1 2 232.331 1.533 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ncnn2CCC)C1 ZINC000847017257 645416859 /nfs/dbraw/zinc/41/68/59/645416859.db2.gz ALPPSSWJBRWPNL-LBPRGKRZSA-N 1 2 232.331 1.533 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 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C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC000928624230 645850133 /nfs/dbraw/zinc/85/01/33/645850133.db2.gz BYMWMNCEWHZMCP-UHFFFAOYSA-N 1 2 219.288 1.131 20 30 BDEDLO CCOC(=O)/C=C/C[N@H+](CCC#N)CC1CC1 ZINC000929775833 646302981 /nfs/dbraw/zinc/30/29/81/646302981.db2.gz VOZOFAMPNDYNFK-HWKANZROSA-N 1 2 236.315 1.731 20 30 BDEDLO CCOC(=O)/C=C/C[N@@H+](CCC#N)CC1CC1 ZINC000929775833 646302988 /nfs/dbraw/zinc/30/29/88/646302988.db2.gz VOZOFAMPNDYNFK-HWKANZROSA-N 1 2 236.315 1.731 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)Cc1cncc(C#N)c1 ZINC000930012629 646394526 /nfs/dbraw/zinc/39/45/26/646394526.db2.gz CDMWMKZUDBNUJI-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)Cc1cncc(C#N)c1 ZINC000930012629 646394530 /nfs/dbraw/zinc/39/45/30/646394530.db2.gz CDMWMKZUDBNUJI-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(F)(C2CC2)CC1 ZINC000724684052 711608802 /nfs/dbraw/zinc/60/88/02/711608802.db2.gz IMPIGMODEYHLAQ-NSHDSACASA-N 1 2 241.306 1.928 20 30 BDEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)C(C)C ZINC000897170786 711784753 /nfs/dbraw/zinc/78/47/53/711784753.db2.gz IBCBWSUHROZBSJ-UHFFFAOYSA-N 1 2 205.305 1.870 20 30 BDEDLO C#CC[N@H+](Cc1nc(C)c(C)[nH]1)C(C)C ZINC000897170786 711784755 /nfs/dbraw/zinc/78/47/55/711784755.db2.gz IBCBWSUHROZBSJ-UHFFFAOYSA-N 1 2 205.305 1.870 20 30 BDEDLO C#CC[N@@H+](Cc1nc(C)c(C)[nH]1)C(C)C ZINC000897170786 711784756 /nfs/dbraw/zinc/78/47/56/711784756.db2.gz IBCBWSUHROZBSJ-UHFFFAOYSA-N 1 2 205.305 1.870 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001042668662 711796070 /nfs/dbraw/zinc/79/60/70/711796070.db2.gz VZNUXBDFKRGZDT-UWVGGRQHSA-N 1 2 244.285 1.216 20 30 BDEDLO C#CCC[N@@H+](CCOC)[C@H](C)C(=O)OCCC ZINC000852751990 712612890 /nfs/dbraw/zinc/61/28/90/712612890.db2.gz QPVCZMZBFMJXNB-GFCCVEGCSA-N 1 2 241.331 1.300 20 30 BDEDLO C#CCC[N@H+](CCOC)[C@H](C)C(=O)OCCC ZINC000852751990 712612891 /nfs/dbraw/zinc/61/28/91/712612891.db2.gz QPVCZMZBFMJXNB-GFCCVEGCSA-N 1 2 241.331 1.300 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cscn1)[C@H]1CCCO1 ZINC000381196913 710608016 /nfs/dbraw/zinc/60/80/16/710608016.db2.gz BGGSONWRJUASJO-JFGNBEQYSA-N 1 2 236.340 1.975 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038495659 710689282 /nfs/dbraw/zinc/68/92/82/710689282.db2.gz IYDZTTJBXHWLAV-JHJVBQTASA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038495659 710689286 /nfs/dbraw/zinc/68/92/86/710689286.db2.gz IYDZTTJBXHWLAV-JHJVBQTASA-N 1 2 248.370 1.492 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cscn1)[C@@H]1CCCO1 ZINC000393731179 710671057 /nfs/dbraw/zinc/67/10/57/710671057.db2.gz PTSIUFCLOQKGGF-QWRGUYRKSA-N 1 2 222.313 1.414 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038788797 710706054 /nfs/dbraw/zinc/70/60/54/710706054.db2.gz BTCQFUSXALLHLL-HZSPNIEDSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038788797 710706058 /nfs/dbraw/zinc/70/60/58/710706058.db2.gz 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BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC1 ZINC001032567700 711926380 /nfs/dbraw/zinc/92/63/80/711926380.db2.gz PXVCWNRLAUIDLC-RYUDHWBXSA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001032612867 711929290 /nfs/dbraw/zinc/92/92/90/711929290.db2.gz FNBNUNQOXWIGMJ-ZOBORPQBSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001032612867 711929293 /nfs/dbraw/zinc/92/92/93/711929293.db2.gz FNBNUNQOXWIGMJ-ZOBORPQBSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CC1 ZINC001032609342 711929427 /nfs/dbraw/zinc/92/94/27/711929427.db2.gz OBMYKQDXAUJXQJ-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CC1 ZINC001032609342 711929431 /nfs/dbraw/zinc/92/94/31/711929431.db2.gz OBMYKQDXAUJXQJ-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO Cc1cc(C#N)cc(NCc2c[nH+]cn2C)n1 ZINC000357585424 711935542 /nfs/dbraw/zinc/93/55/42/711935542.db2.gz VZTVFEHOGJNOGC-UHFFFAOYSA-N 1 2 227.271 1.029 20 30 BDEDLO C#CCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000707361262 712169525 /nfs/dbraw/zinc/16/95/25/712169525.db2.gz FFQYKAGPQJTACE-UHFFFAOYSA-N 1 2 231.299 1.460 20 30 BDEDLO C#CCNC(=O)C[N@H+](CC)CCC(F)(F)F ZINC000708322073 712186446 /nfs/dbraw/zinc/18/64/46/712186446.db2.gz CBDWRVHBSYIWNQ-UHFFFAOYSA-N 1 2 236.237 1.010 20 30 BDEDLO C#CCNC(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000708322073 712186449 /nfs/dbraw/zinc/18/64/49/712186449.db2.gz CBDWRVHBSYIWNQ-UHFFFAOYSA-N 1 2 236.237 1.010 20 30 BDEDLO C=C(Br)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000606291661 712352404 /nfs/dbraw/zinc/35/24/04/712352404.db2.gz NCLMNVVJHZWIDN-UHFFFAOYSA-N 1 2 247.136 1.059 20 30 BDEDLO C=C(Br)C[N@H+]1CCC(=O)N(C)CC1 ZINC000606291661 712352406 /nfs/dbraw/zinc/35/24/06/712352406.db2.gz NCLMNVVJHZWIDN-UHFFFAOYSA-N 1 2 247.136 1.059 20 30 BDEDLO N#CCCCCC(=O)OCCCn1cc[nH+]c1 ZINC000848867386 712610163 /nfs/dbraw/zinc/61/01/63/712610163.db2.gz ZNGVREBOXCKANT-UHFFFAOYSA-N 1 2 235.287 1.900 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1cscn1 ZINC000852752175 712612858 /nfs/dbraw/zinc/61/28/58/712612858.db2.gz VZNGFHLOORJMOB-UHFFFAOYSA-N 1 2 224.329 1.615 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1cscn1 ZINC000852752175 712612859 /nfs/dbraw/zinc/61/28/59/712612859.db2.gz VZNGFHLOORJMOB-UHFFFAOYSA-N 1 2 224.329 1.615 20 30 BDEDLO C#CC[C@@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000717738679 712668255 /nfs/dbraw/zinc/66/82/55/712668255.db2.gz FKWGGCVJJNBMSG-JTQLQIEISA-N 1 2 229.283 1.037 20 30 BDEDLO CC(C)C(=O)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932154528 712716131 /nfs/dbraw/zinc/71/61/31/712716131.db2.gz KDAZVORKQJRFMK-LLVKDONJSA-N 1 2 208.305 1.837 20 30 BDEDLO CC(C)C(=O)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932154528 712716132 /nfs/dbraw/zinc/71/61/32/712716132.db2.gz KDAZVORKQJRFMK-LLVKDONJSA-N 1 2 208.305 1.837 20 30 BDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001017280622 712814581 /nfs/dbraw/zinc/81/45/81/712814581.db2.gz CWNFWKPCELYGOF-DTORHVGOSA-N 1 2 230.258 1.113 20 30 BDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001017280622 712814583 /nfs/dbraw/zinc/81/45/83/712814583.db2.gz CWNFWKPCELYGOF-DTORHVGOSA-N 1 2 230.258 1.113 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720864825 712871326 /nfs/dbraw/zinc/87/13/26/712871326.db2.gz LYYQRPDXIFPWKX-WOPDTQHZSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720864825 712871329 /nfs/dbraw/zinc/87/13/29/712871329.db2.gz LYYQRPDXIFPWKX-WOPDTQHZSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001269205101 962537076 /nfs/dbraw/zinc/53/70/76/962537076.db2.gz IBOAOUXDDWTNFV-JTQLQIEISA-N 1 2 214.284 1.113 20 30 BDEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001269205101 962537097 /nfs/dbraw/zinc/53/70/97/962537097.db2.gz IBOAOUXDDWTNFV-JTQLQIEISA-N 1 2 214.284 1.113 20 30 BDEDLO N#Cc1ccn(-c2cc[nH+]cc2Cl)c1N ZINC001212147655 965082544 /nfs/dbraw/zinc/08/25/44/965082544.db2.gz FMNLMEUNSFRMMC-UHFFFAOYSA-N 1 2 218.647 1.980 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001251976039 968416355 /nfs/dbraw/zinc/41/63/55/968416355.db2.gz HYTXQOQNCBFKRO-MRVPVSSYSA-N 1 2 213.668 1.313 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001112661505 970140614 /nfs/dbraw/zinc/14/06/14/970140614.db2.gz AIXLYTZMHQUMHC-SDQBBNPISA-N 1 2 222.332 1.673 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001336773864 977941687 /nfs/dbraw/zinc/94/16/87/977941687.db2.gz GLDWDDJMSXSQJT-UHFFFAOYSA-N 1 2 234.299 1.634 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC001336773864 977941703 /nfs/dbraw/zinc/94/17/03/977941703.db2.gz GLDWDDJMSXSQJT-UHFFFAOYSA-N 1 2 234.299 1.634 20 30 BDEDLO C=CC[N@@H+](C)Cc1c(OC)cncc1OC ZINC001232505496 978159272 /nfs/dbraw/zinc/15/92/72/978159272.db2.gz JRLLTBRXYXNXET-UHFFFAOYSA-N 1 2 222.288 1.717 20 30 BDEDLO C=CC[N@H+](C)Cc1c(OC)cncc1OC ZINC001232505496 978159279 /nfs/dbraw/zinc/15/92/79/978159279.db2.gz JRLLTBRXYXNXET-UHFFFAOYSA-N 1 2 222.288 1.717 20 30 BDEDLO N#CCCCCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264636 979028410 /nfs/dbraw/zinc/02/84/10/979028410.db2.gz KUZSEQPGWAYXDG-UHFFFAOYSA-N 1 2 232.287 1.016 20 30 BDEDLO O=C1C=C2C[N@@H+](CCCCO)CC[C@H]2S1 ZINC001235466565 979047768 /nfs/dbraw/zinc/04/77/68/979047768.db2.gz OMKQPGHTSWTHKS-SNVBAGLBSA-N 1 2 227.329 1.033 20 30 BDEDLO Cc1[nH+]cn(C)c1CN1CC(C)(C#N)C1 ZINC001235539962 979075716 /nfs/dbraw/zinc/07/57/16/979075716.db2.gz FCUKZFSYRGEIEF-UHFFFAOYSA-N 1 2 204.277 1.074 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]2(F)Cl)CC1 ZINC001181658326 979225813 /nfs/dbraw/zinc/22/58/13/979225813.db2.gz FDYLFXLQZVTXLL-ONGXEEELSA-N 1 2 246.713 1.241 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)CCOCC)C(=O)OC ZINC001172415622 974682241 /nfs/dbraw/zinc/68/22/41/974682241.db2.gz YIGBKZNRPRICQX-GHMZBOCLSA-N 1 2 229.320 1.509 20 30 BDEDLO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)nn1 ZINC000405094286 971195353 /nfs/dbraw/zinc/19/53/53/971195353.db2.gz RTPZHZJUOMZHLG-UHFFFAOYSA-N 1 2 230.315 1.959 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(C)[nH+]c(SC)n1 ZINC001158813530 971469089 /nfs/dbraw/zinc/46/90/89/971469089.db2.gz SKQGTZXTPGMNEF-QMMMGPOBSA-N 1 2 225.317 1.466 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C=C1CCC1 ZINC001266267870 956912533 /nfs/dbraw/zinc/91/25/33/956912533.db2.gz ROFNATWQDDMYIW-UHFFFAOYSA-N 1 2 242.750 1.897 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C=C1CCC1 ZINC001266267870 956912553 /nfs/dbraw/zinc/91/25/53/956912553.db2.gz ROFNATWQDDMYIW-UHFFFAOYSA-N 1 2 242.750 1.897 20 30 BDEDLO C#CCCC[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209268054 957376492 /nfs/dbraw/zinc/37/64/92/957376492.db2.gz RHNUPZGUMGAXPI-UHFFFAOYSA-N 1 2 243.310 1.144 20 30 BDEDLO C#CCCC[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209268054 957376504 /nfs/dbraw/zinc/37/65/04/957376504.db2.gz RHNUPZGUMGAXPI-UHFFFAOYSA-N 1 2 243.310 1.144 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc2c1OCC2 ZINC000693175697 957798317 /nfs/dbraw/zinc/79/83/17/957798317.db2.gz QKQPQMKDMFWRCO-JTQLQIEISA-N 1 2 216.284 1.871 20 30 BDEDLO C#Cc1cc(Nc2ccc(OC)nc2C)cc[nH+]1 ZINC001211039861 958001154 /nfs/dbraw/zinc/00/11/54/958001154.db2.gz PXDXNLKSAQPPOS-UHFFFAOYSA-N 1 2 239.278 1.940 20 30 BDEDLO O=C(CCS)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001143986693 972444657 /nfs/dbraw/zinc/44/46/57/972444657.db2.gz WSNGRZARUHIWKZ-SECBINFHSA-N 1 2 239.344 1.436 20 30 BDEDLO C[NH+]1CC(OCCOc2ccccc2C#N)C1 ZINC001222418759 972472159 /nfs/dbraw/zinc/47/21/59/972472159.db2.gz UNOPMSXJBGLQSE-UHFFFAOYSA-N 1 2 232.283 1.268 20 30 BDEDLO C=CCCCC(=O)NC1C[NH+](CC(=C)C)C1 ZINC001267657207 960180736 /nfs/dbraw/zinc/18/07/36/960180736.db2.gz LWAHZANIFPBVER-UHFFFAOYSA-N 1 2 222.332 1.719 20 30 BDEDLO C=CCCC(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001267676010 960193568 /nfs/dbraw/zinc/19/35/68/960193568.db2.gz AJIJRRKERSWPIP-UHFFFAOYSA-N 1 2 242.750 1.753 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC=C ZINC001267712477 960221788 /nfs/dbraw/zinc/22/17/88/960221788.db2.gz QMMBUOOXQYWDCO-STQMWFEESA-N 1 2 246.354 1.507 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC=C ZINC001267712477 960221796 /nfs/dbraw/zinc/22/17/96/960221796.db2.gz QMMBUOOXQYWDCO-STQMWFEESA-N 1 2 246.354 1.507 20 30 BDEDLO CC(C)(CCO)Nc1[nH+]cccc1CC#N ZINC001167735082 960283786 /nfs/dbraw/zinc/28/37/86/960283786.db2.gz WVYIBSCDZYFHQF-UHFFFAOYSA-N 1 2 219.288 1.721 20 30 BDEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cn[nH]c1)CC2 ZINC001203086184 960804198 /nfs/dbraw/zinc/80/41/98/960804198.db2.gz MOJLWMREIAKJDE-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC001203086184 960804212 /nfs/dbraw/zinc/80/42/12/960804212.db2.gz MOJLWMREIAKJDE-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO CCCCc1[nH]c(CN2CCOC[C@@H]2C#N)c[nH+]1 ZINC001141071476 960863026 /nfs/dbraw/zinc/86/30/26/960863026.db2.gz QISVTZMHWZCABN-LBPRGKRZSA-N 1 2 248.330 1.477 20 30 BDEDLO CCCCc1[nH]cc(CN2CCOC[C@@H]2C#N)[nH+]1 ZINC001141071476 960863027 /nfs/dbraw/zinc/86/30/27/960863027.db2.gz QISVTZMHWZCABN-LBPRGKRZSA-N 1 2 248.330 1.477 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cc(O)ccc1O ZINC001141158845 960896614 /nfs/dbraw/zinc/89/66/14/960896614.db2.gz OZRSNYXTJDMWML-UHFFFAOYSA-N 1 2 220.272 1.833 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cc(O)ccc1O ZINC001141158845 960896615 /nfs/dbraw/zinc/89/66/15/960896615.db2.gz OZRSNYXTJDMWML-UHFFFAOYSA-N 1 2 220.272 1.833 20 30 BDEDLO COC[C@](C)(O)CC/[NH+]=C/c1ccccc1O ZINC000840706840 961186606 /nfs/dbraw/zinc/18/66/06/961186606.db2.gz LEWQBIQOSDACSR-OZYJXZHSSA-N 1 2 237.299 1.599 20 30 BDEDLO C=C[C@@](C)(O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001142799780 961759516 /nfs/dbraw/zinc/75/95/16/961759516.db2.gz CPRSHIRYKKLXIQ-CYBMUJFWSA-N 1 2 245.282 1.518 20 30 BDEDLO N#CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001143196888 961928622 /nfs/dbraw/zinc/92/86/22/961928622.db2.gz JWQYYCUAICZKEF-JTQLQIEISA-N 1 2 232.287 1.419 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000843425487 962006395 /nfs/dbraw/zinc/00/63/95/962006395.db2.gz PLZKMQRDJILACV-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000843425487 962006418 /nfs/dbraw/zinc/00/64/18/962006418.db2.gz PLZKMQRDJILACV-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CCc1cc[nH+]c(NCC2COC2)c1 ZINC001154634370 962820303 /nfs/dbraw/zinc/82/03/03/962820303.db2.gz QJCRXUKEXFULAK-UHFFFAOYSA-N 1 2 203.245 1.206 20 30 BDEDLO CCSc1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156331903 963317012 /nfs/dbraw/zinc/31/70/12/963317012.db2.gz CBLPTOJGASYTTF-JTQLQIEISA-N 1 2 248.355 1.495 20 30 BDEDLO CSCc1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156332678 963318458 /nfs/dbraw/zinc/31/84/58/963318458.db2.gz LHEJDSFPHNMFEV-NSHDSACASA-N 1 2 248.355 1.246 20 30 BDEDLO CC(C)(CNc1cc(CC#N)cc[nH+]1)C(N)=O ZINC001156738170 963451631 /nfs/dbraw/zinc/45/16/31/963451631.db2.gz AQBPDKFKJAJYIM-UHFFFAOYSA-N 1 2 232.287 1.071 20 30 BDEDLO C#Cc1cc(Nc2cnc3nccnc3c2)cc[nH+]1 ZINC001213210603 963542820 /nfs/dbraw/zinc/54/28/20/963542820.db2.gz LERXXFHDGQYHNL-UHFFFAOYSA-N 1 2 247.261 1.567 20 30 BDEDLO CCN(c1nccc(C)c1C#N)C1C[NH+](C)C1 ZINC001157455325 963614369 /nfs/dbraw/zinc/61/43/69/963614369.db2.gz HIGKSXIGZBHEHL-UHFFFAOYSA-N 1 2 230.315 1.402 20 30 BDEDLO CCC1(CNc2cc(CC#N)cc[nH+]2)COC1 ZINC001157547036 963656284 /nfs/dbraw/zinc/65/62/84/963656284.db2.gz YSNZTBWQYIWVJJ-UHFFFAOYSA-N 1 2 231.299 1.986 20 30 BDEDLO C#CC[N@@H+](C)Cc1[nH]cnc1C(C)(C)C ZINC001142230567 963782289 /nfs/dbraw/zinc/78/22/89/963782289.db2.gz KSHWOQQSDVNQHA-UHFFFAOYSA-N 1 2 205.305 1.772 20 30 BDEDLO C#CC[N@H+](C)Cc1[nH]cnc1C(C)(C)C ZINC001142230567 963782298 /nfs/dbraw/zinc/78/22/98/963782298.db2.gz KSHWOQQSDVNQHA-UHFFFAOYSA-N 1 2 205.305 1.772 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H]2C2OCCO2)CC1 ZINC000725676188 964230511 /nfs/dbraw/zinc/23/05/11/964230511.db2.gz KOPKVLJVCAUKSH-JTQLQIEISA-N 1 2 222.288 1.127 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H]2C2OCCO2)CC1 ZINC000725676188 964230515 /nfs/dbraw/zinc/23/05/15/964230515.db2.gz KOPKVLJVCAUKSH-JTQLQIEISA-N 1 2 222.288 1.127 20 30 BDEDLO CC(C)n1c[nH+]cc1CNc1cncc(C#N)n1 ZINC001161562770 964640739 /nfs/dbraw/zinc/64/07/39/964640739.db2.gz FBGGTNPRXQGPEZ-UHFFFAOYSA-N 1 2 242.286 1.738 20 30 BDEDLO N#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000828319534 964752421 /nfs/dbraw/zinc/75/24/21/964752421.db2.gz NUIAOLVZNRWADD-UHFFFAOYSA-N 1 2 232.287 1.247 20 30 BDEDLO N#Cc1cc([N+](=O)[O-])c(-n2cc[nH+]c2)cc1F ZINC001162004579 964844871 /nfs/dbraw/zinc/84/48/71/964844871.db2.gz VAGWDLAMFZELAN-UHFFFAOYSA-N 1 2 232.174 1.791 20 30 BDEDLO C#CC1(Nc2cc(N)nc[nH+]2)CCCCC1 ZINC001162479473 964996091 /nfs/dbraw/zinc/99/60/91/964996091.db2.gz HDALAABHPAAHBO-UHFFFAOYSA-N 1 2 216.288 1.807 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001483676020 965427530 /nfs/dbraw/zinc/42/75/30/965427530.db2.gz JYTWTGLDQNMBII-GFCCVEGCSA-N 1 2 236.359 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001483676020 965427536 /nfs/dbraw/zinc/42/75/36/965427536.db2.gz JYTWTGLDQNMBII-GFCCVEGCSA-N 1 2 236.359 1.636 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@H]1F ZINC001232921612 965431612 /nfs/dbraw/zinc/43/16/12/965431612.db2.gz ANFFNKNMCRVECX-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@H]1F ZINC001232921612 965431621 /nfs/dbraw/zinc/43/16/21/965431621.db2.gz ANFFNKNMCRVECX-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO CCc1cc(NC(C)=CC(C)=O)cc[nH+]1 ZINC001163741852 965561469 /nfs/dbraw/zinc/56/14/69/965561469.db2.gz JSMGVULYGYYRQC-CLFYSBASSA-N 1 2 204.273 1.971 20 30 BDEDLO C[C@H]1CN(c2cc(CC#N)cc[nH+]2)CCC[C@H]1O ZINC001164226346 965806721 /nfs/dbraw/zinc/80/67/21/965806721.db2.gz DJSLTUPRCQOINT-WCQYABFASA-N 1 2 245.326 1.745 20 30 BDEDLO N#CCc1ccc(NCC2(CO)CCC2)[nH+]c1 ZINC001164353235 965856493 /nfs/dbraw/zinc/85/64/93/965856493.db2.gz PTRDGYQDHKQLST-UHFFFAOYSA-N 1 2 231.299 1.722 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2ccccc2n1 ZINC001164626849 965934664 /nfs/dbraw/zinc/93/46/64/965934664.db2.gz OSHGWPBOMQQMJB-LBPRGKRZSA-N 1 2 238.294 1.537 20 30 BDEDLO CSc1cccc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164661959 965943554 /nfs/dbraw/zinc/94/35/54/965943554.db2.gz RBUNMDFPNUPVNX-SECBINFHSA-N 1 2 234.328 1.105 20 30 BDEDLO CN(Cc1ccc(C#N)cc1)c1cc(N)nc[nH+]1 ZINC001166540236 966294540 /nfs/dbraw/zinc/29/45/40/966294540.db2.gz LTMGOBHUWQSUQX-UHFFFAOYSA-N 1 2 239.282 1.567 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H](CCC)CC1=O ZINC000155035100 966312940 /nfs/dbraw/zinc/31/29/40/966312940.db2.gz BFKHPXHKSBTYRH-LLVKDONJSA-N 1 2 210.321 1.710 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H](CCC)CC1=O ZINC000155035100 966312950 /nfs/dbraw/zinc/31/29/50/966312950.db2.gz BFKHPXHKSBTYRH-LLVKDONJSA-N 1 2 210.321 1.710 20 30 BDEDLO CN(CC1(C)COC1)c1cc(CC#N)cc[nH+]1 ZINC001166711279 966374381 /nfs/dbraw/zinc/37/43/81/966374381.db2.gz VVDKTVKEGBIZMY-UHFFFAOYSA-N 1 2 231.299 1.620 20 30 BDEDLO CNc1ccc(-n2ccc(C#N)c2N)c[nH+]1 ZINC001203450111 966652148 /nfs/dbraw/zinc/65/21/48/966652148.db2.gz UTDFFABIGKZGPT-UHFFFAOYSA-N 1 2 213.244 1.368 20 30 BDEDLO Cc1cc(F)ncc1C[NH2+][C@@H](C)CC#N ZINC001203523058 966673013 /nfs/dbraw/zinc/67/30/13/966673013.db2.gz WVTVDRKZNOLXQX-VIFPVBQESA-N 1 2 207.252 1.921 20 30 BDEDLO C[C@@]1(O)CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1F ZINC001203757491 966769972 /nfs/dbraw/zinc/76/99/72/966769972.db2.gz NULSMEMBVPIYNO-UONOGXRCSA-N 1 2 248.301 1.853 20 30 BDEDLO C[C@@]1(O)CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1F ZINC001203757491 966769988 /nfs/dbraw/zinc/76/99/88/966769988.db2.gz NULSMEMBVPIYNO-UONOGXRCSA-N 1 2 248.301 1.853 20 30 BDEDLO C=CCCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107647770 966813146 /nfs/dbraw/zinc/81/31/46/966813146.db2.gz ZEZVAJPTRJRDMI-SNVBAGLBSA-N 1 2 248.330 1.668 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc[nH]1 ZINC001203983572 966831736 /nfs/dbraw/zinc/83/17/36/966831736.db2.gz JWTIEXDVZBKXKA-RTCCRHLQSA-N 1 2 216.288 1.676 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc[nH]1 ZINC001203983572 966831739 /nfs/dbraw/zinc/83/17/39/966831739.db2.gz JWTIEXDVZBKXKA-RTCCRHLQSA-N 1 2 216.288 1.676 20 30 BDEDLO CC1(CO)C[NH+](Cc2ccccc2C#N)C1 ZINC001204366503 966982472 /nfs/dbraw/zinc/98/24/72/966982472.db2.gz LKDDRHLESMUITG-UHFFFAOYSA-N 1 2 216.284 1.372 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(CC)o2)CC1 ZINC001204394408 966991621 /nfs/dbraw/zinc/99/16/21/966991621.db2.gz DHQBEHCVZODMKO-UHFFFAOYSA-N 1 2 232.327 1.593 20 30 BDEDLO CN1C[C@@H](CNc2[nH+]cccc2CC#N)CC1=O ZINC001168718204 967623819 /nfs/dbraw/zinc/62/38/19/967623819.db2.gz ODIWRDJMVKJZOG-SNVBAGLBSA-N 1 2 244.298 1.038 20 30 BDEDLO N#Cc1cc(CCn2cc[nH+]c2)ccc1O ZINC001250318337 967691750 /nfs/dbraw/zinc/69/17/50/967691750.db2.gz CQNQIQBEIJDORC-UHFFFAOYSA-N 1 2 213.240 1.703 20 30 BDEDLO C=CCN1CC[NH+](Cc2cncc(C)c2)CC1 ZINC001207156824 968665343 /nfs/dbraw/zinc/66/53/43/968665343.db2.gz LCFOVRJXEHTPLK-UHFFFAOYSA-N 1 2 231.343 1.694 20 30 BDEDLO C=CCOC[C@@H](O)CNc1c[nH+]ccc1OC ZINC001252454991 968713121 /nfs/dbraw/zinc/71/31/21/968713121.db2.gz WKHBVHVMPZLWGN-JTQLQIEISA-N 1 2 238.287 1.066 20 30 BDEDLO C=C[C@](C)(O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001252541466 968775009 /nfs/dbraw/zinc/77/50/09/968775009.db2.gz MDRQYJJWIBIANR-LBPRGKRZSA-N 1 2 241.331 1.389 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252556635 968802085 /nfs/dbraw/zinc/80/20/85/968802085.db2.gz FFGWPIDFBHUJHY-ZIAGYGMSSA-N 1 2 248.326 1.392 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252556635 968802090 /nfs/dbraw/zinc/80/20/90/968802090.db2.gz FFGWPIDFBHUJHY-ZIAGYGMSSA-N 1 2 248.326 1.392 20 30 BDEDLO C=C[C@](C)(O)C[NH2+]CC(F)(F)c1ccccn1 ZINC001252578643 968830068 /nfs/dbraw/zinc/83/00/68/968830068.db2.gz SDQJRSXJQCWSEO-NSHDSACASA-N 1 2 242.269 1.700 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@](C)(O)C=C)C(=O)OC ZINC001252584590 968838747 /nfs/dbraw/zinc/83/87/47/968838747.db2.gz CANNHMTZTTUTHL-VXGBXAGGSA-N 1 2 227.304 1.021 20 30 BDEDLO C=CCC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001252588437 968846404 /nfs/dbraw/zinc/84/64/04/968846404.db2.gz NRHPRRZJNAWDPK-SECBINFHSA-N 1 2 247.302 1.102 20 30 BDEDLO C#CC(C)(C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001207825527 968893845 /nfs/dbraw/zinc/89/38/45/968893845.db2.gz JKNFMFWVAXYTAV-UHFFFAOYSA-N 1 2 242.282 1.868 20 30 BDEDLO C=C[C@@H](O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001253574748 969247822 /nfs/dbraw/zinc/24/78/22/969247822.db2.gz ROVRUIHUMPHECE-GFCCVEGCSA-N 1 2 233.315 1.641 20 30 BDEDLO CC(=O)OC1C[NH+](CCc2ccc(C#N)cc2)C1 ZINC001208926386 969309007 /nfs/dbraw/zinc/30/90/07/969309007.db2.gz QWYWXRCWRGOUGI-UHFFFAOYSA-N 1 2 244.294 1.348 20 30 BDEDLO C#CCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209261606 969415004 /nfs/dbraw/zinc/41/50/04/969415004.db2.gz FQCVLYRLFDXZPE-SNVBAGLBSA-N 1 2 217.259 1.492 20 30 BDEDLO C#CCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209261606 969415007 /nfs/dbraw/zinc/41/50/07/969415007.db2.gz FQCVLYRLFDXZPE-SNVBAGLBSA-N 1 2 217.259 1.492 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(F)c(O)c(OC)c1 ZINC001209529299 969533594 /nfs/dbraw/zinc/53/35/94/969533594.db2.gz WNGVQSCFUOTJIO-UHFFFAOYSA-N 1 2 247.269 1.608 20 30 BDEDLO N#CCc1cc[nH+]c(NCC(=O)N2CCCC2)c1 ZINC001156346645 969783103 /nfs/dbraw/zinc/78/31/03/969783103.db2.gz FMOLJFNECNAAAY-UHFFFAOYSA-N 1 2 244.298 1.182 20 30 BDEDLO CC#CC[C@H](CC)OCC[NH+]1CCOCC1 ZINC001210224979 969836838 /nfs/dbraw/zinc/83/68/38/969836838.db2.gz MELMNFWKJKQJES-ZDUSSCGKSA-N 1 2 225.332 1.527 20 30 BDEDLO C#Cc1cc(Nc2c[nH+]c(C)c(N)c2)ccn1 ZINC001210285336 969852383 /nfs/dbraw/zinc/85/23/83/969852383.db2.gz PAXSYRYSZOWTQV-UHFFFAOYSA-N 1 2 224.267 1.514 20 30 BDEDLO Cc1nc(C#N)cnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287372 969853137 /nfs/dbraw/zinc/85/31/37/969853137.db2.gz SCAIXUHUXBQLBT-UHFFFAOYSA-N 1 2 240.270 1.686 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCSCC1 ZINC001255080609 969873642 /nfs/dbraw/zinc/87/36/42/969873642.db2.gz VCGJNHSDIRTTLP-VIFPVBQESA-N 1 2 249.401 1.333 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CC[C@H](C)C1 ZINC001170105755 970307746 /nfs/dbraw/zinc/30/77/46/970307746.db2.gz SSPIIQZHUMMZEU-CIUDSAMLSA-N 1 2 217.334 1.236 20 30 BDEDLO CCN(c1nccc(C#N)c1F)C1C[NH+](C)C1 ZINC001157455872 970322481 /nfs/dbraw/zinc/32/24/81/970322481.db2.gz VLRJESHKUNCBBR-UHFFFAOYSA-N 1 2 234.278 1.233 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001113246509 970387775 /nfs/dbraw/zinc/38/77/75/970387775.db2.gz PBMRPWFEMYNCGP-CYBMUJFWSA-N 1 2 236.359 1.919 20 30 BDEDLO C#CCN(CC#C)c1nc(NC2CC2)cc[nH+]1 ZINC001157558900 970432987 /nfs/dbraw/zinc/43/29/87/970432987.db2.gz PFYTXNLQLDOZKG-UHFFFAOYSA-N 1 2 226.283 1.124 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)CC(F)(F)F ZINC001255661290 970445518 /nfs/dbraw/zinc/44/55/18/970445518.db2.gz BQXDVDATEWAIPA-SECBINFHSA-N 1 2 203.207 1.896 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CC[S@@](C)=O ZINC000400551413 970600709 /nfs/dbraw/zinc/60/07/09/970600709.db2.gz HRRWLBFFUPQOJO-CQSZACIVSA-N 1 2 216.350 1.237 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CC[S@@](C)=O ZINC000400551413 970600716 /nfs/dbraw/zinc/60/07/16/970600716.db2.gz HRRWLBFFUPQOJO-CQSZACIVSA-N 1 2 216.350 1.237 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CC[S@](C)=O ZINC000400551412 970602076 /nfs/dbraw/zinc/60/20/76/970602076.db2.gz HRRWLBFFUPQOJO-AWEZNQCLSA-N 1 2 216.350 1.237 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CC[S@](C)=O ZINC000400551412 970602085 /nfs/dbraw/zinc/60/20/85/970602085.db2.gz HRRWLBFFUPQOJO-AWEZNQCLSA-N 1 2 216.350 1.237 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(O)c2C)CC1 ZINC001144118431 972590380 /nfs/dbraw/zinc/59/03/80/972590380.db2.gz VXLXDFPEYOSYRW-UHFFFAOYSA-N 1 2 244.338 1.451 20 30 BDEDLO Cn1nnc2cc(C[N@H+](C)CCC#N)ccc21 ZINC001144630369 972901170 /nfs/dbraw/zinc/90/11/70/972901170.db2.gz HQDYVMMKBAVHCG-UHFFFAOYSA-N 1 2 229.287 1.314 20 30 BDEDLO Cn1nnc2cc(C[N@@H+](C)CCC#N)ccc21 ZINC001144630369 972901183 /nfs/dbraw/zinc/90/11/83/972901183.db2.gz HQDYVMMKBAVHCG-UHFFFAOYSA-N 1 2 229.287 1.314 20 30 BDEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC2(CCO2)C1 ZINC001171224677 973004406 /nfs/dbraw/zinc/00/44/06/973004406.db2.gz UCTWUHQJXDNYIW-GFCCVEGCSA-N 1 2 242.322 1.964 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001276893323 973092705 /nfs/dbraw/zinc/09/27/05/973092705.db2.gz YLKVOOKZBCSOML-ZDUSSCGKSA-N 1 2 248.370 1.781 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001276893323 973092720 /nfs/dbraw/zinc/09/27/20/973092720.db2.gz YLKVOOKZBCSOML-ZDUSSCGKSA-N 1 2 248.370 1.781 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001276909177 973216151 /nfs/dbraw/zinc/21/61/51/973216151.db2.gz OIKNMSJKUCVEAV-CYBMUJFWSA-N 1 2 248.370 1.636 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001276909177 973216167 /nfs/dbraw/zinc/21/61/67/973216167.db2.gz OIKNMSJKUCVEAV-CYBMUJFWSA-N 1 2 248.370 1.636 20 30 BDEDLO C[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1C#N)n1cc[nH+]c1 ZINC001329593593 973843051 /nfs/dbraw/zinc/84/30/51/973843051.db2.gz RCKINRVCUCOPRZ-GRYCIOLGSA-N 1 2 246.314 1.595 20 30 BDEDLO Cc1cc(NNC=C2CC2(F)F)[nH+]c(N)n1 ZINC001329672070 973870255 /nfs/dbraw/zinc/87/02/55/973870255.db2.gz KIKPSJHDVAKOOI-ZCFIWIBFSA-N 1 2 227.218 1.420 20 30 BDEDLO N#CC1(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001329684625 973883782 /nfs/dbraw/zinc/88/37/82/973883782.db2.gz VXPLSGPWHWLMTQ-SNVBAGLBSA-N 1 2 244.298 1.008 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccncc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225290932 974360127 /nfs/dbraw/zinc/36/01/27/974360127.db2.gz LGKJUVDWIHBMBK-HALBRFILSA-N 1 2 232.283 1.073 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccncc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225290932 974360142 /nfs/dbraw/zinc/36/01/42/974360142.db2.gz LGKJUVDWIHBMBK-HALBRFILSA-N 1 2 232.283 1.073 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(C#N)c(F)c2)C1 ZINC001225353077 974438697 /nfs/dbraw/zinc/43/86/97/974438697.db2.gz HURXYYKHGYHIPB-UHFFFAOYSA-N 1 2 220.247 1.780 20 30 BDEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCOC1=O ZINC001172289737 974554767 /nfs/dbraw/zinc/55/47/67/974554767.db2.gz GYFUZEHCHXDSCC-GWCFXTLKSA-N 1 2 244.294 1.394 20 30 BDEDLO N#CCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001331223801 974649690 /nfs/dbraw/zinc/64/96/90/974649690.db2.gz CKNGGAPYKDRXEC-SNVBAGLBSA-N 1 2 232.287 1.008 20 30 BDEDLO N#CCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001331478879 974737588 /nfs/dbraw/zinc/73/75/88/974737588.db2.gz OJIDRTGKBOJHPY-SECBINFHSA-N 1 2 218.260 1.138 20 30 BDEDLO CC[NH+]1CC(Oc2cc(C)ccc2C#N)C1 ZINC001226753461 975059790 /nfs/dbraw/zinc/05/97/90/975059790.db2.gz FKCKTPJCLWMXBF-UHFFFAOYSA-N 1 2 216.284 1.950 20 30 BDEDLO Cc1ccc(C#N)c(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001226756503 975061018 /nfs/dbraw/zinc/06/10/18/975061018.db2.gz RARMCOHDRQIPPY-CYBMUJFWSA-N 1 2 246.310 1.576 20 30 BDEDLO Cc1ccc(C#N)c(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001226756503 975061022 /nfs/dbraw/zinc/06/10/22/975061022.db2.gz RARMCOHDRQIPPY-CYBMUJFWSA-N 1 2 246.310 1.576 20 30 BDEDLO Cc1cc[nH+]c(C)c1O[C@H]1CCN(CC#N)C1 ZINC001227265559 975342713 /nfs/dbraw/zinc/34/27/13/975342713.db2.gz UDRBQAWXJRSZHB-LBPRGKRZSA-N 1 2 231.299 1.675 20 30 BDEDLO CC[NH+]1CC(Oc2cnc(C#N)c(C)c2)C1 ZINC001227346635 975367055 /nfs/dbraw/zinc/36/70/55/975367055.db2.gz LVNJQSWHRXDTLA-UHFFFAOYSA-N 1 2 217.272 1.345 20 30 BDEDLO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](C)[C@@H](C)C#N)C1 ZINC001173657116 975508436 /nfs/dbraw/zinc/50/84/36/975508436.db2.gz GZRQNKDJVUXTGY-TUAOUCFPSA-N 1 2 238.331 1.952 20 30 BDEDLO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C)[C@@H](C)C#N)C1 ZINC001173657116 975508455 /nfs/dbraw/zinc/50/84/55/975508455.db2.gz GZRQNKDJVUXTGY-TUAOUCFPSA-N 1 2 238.331 1.952 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173737188 975534136 /nfs/dbraw/zinc/53/41/36/975534136.db2.gz IYGKSCXVJNZXCK-GRYCIOLGSA-N 1 2 248.334 1.439 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173758258 975549252 /nfs/dbraw/zinc/54/92/52/975549252.db2.gz ZKSPHQZNLBBXNS-TUAOUCFPSA-N 1 2 246.318 1.145 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173758258 975549262 /nfs/dbraw/zinc/54/92/62/975549262.db2.gz ZKSPHQZNLBBXNS-TUAOUCFPSA-N 1 2 246.318 1.145 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccsn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227731913 975657401 /nfs/dbraw/zinc/65/74/01/975657401.db2.gz KQYSCDQLLHUDHZ-ZTEPNEHBSA-N 1 2 238.312 1.134 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccsn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227731913 975657417 /nfs/dbraw/zinc/65/74/17/975657417.db2.gz KQYSCDQLLHUDHZ-ZTEPNEHBSA-N 1 2 238.312 1.134 20 30 BDEDLO Cc1nnn([NH+]=C[C@@H]2C[C@H]3C[C@H]3C2)c1C ZINC001333641867 975918580 /nfs/dbraw/zinc/91/85/80/975918580.db2.gz DIQPJMPYEXGYGG-JGPRNRPPSA-N 1 2 204.277 1.775 20 30 BDEDLO CC(C)CCCC[NH+]1CC(O)(CC#N)C1 ZINC001333717007 976024078 /nfs/dbraw/zinc/02/40/78/976024078.db2.gz IMFWAQWMKZQQKK-UHFFFAOYSA-N 1 2 210.321 1.773 20 30 BDEDLO C#Cc1cc(Nc2ccccc2C(N)=O)cc[nH+]1 ZINC001173979739 976198322 /nfs/dbraw/zinc/19/83/22/976198322.db2.gz RAGTWAMUKWROAH-UHFFFAOYSA-N 1 2 237.262 1.327 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2ncco2)C1 ZINC000259897579 976964492 /nfs/dbraw/zinc/96/44/92/976964492.db2.gz FLFQRVMGWMADEY-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC000259897579 976964501 /nfs/dbraw/zinc/96/45/01/976964501.db2.gz FLFQRVMGWMADEY-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO CN(C)c1ccc(Nc2cnc(C#N)nc2)c[nH+]1 ZINC001175342064 977367259 /nfs/dbraw/zinc/36/72/59/977367259.db2.gz ZKSZILQPOGPYOL-UHFFFAOYSA-N 1 2 240.270 1.553 20 30 BDEDLO C#C[C@@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920309 977384952 /nfs/dbraw/zinc/38/49/52/977384952.db2.gz LJMOYLKTKUNCMM-SECBINFHSA-N 1 2 215.252 1.768 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@@H](CCC)OC)C(=O)OC ZINC001336758207 977926877 /nfs/dbraw/zinc/92/68/77/977926877.db2.gz PTFHOXNWRZQLSP-NEPJUHHUSA-N 1 2 243.347 1.899 20 30 BDEDLO COc1cc[nH+]cc1Nc1cn(C)nc1C#N ZINC001176119102 977950327 /nfs/dbraw/zinc/95/03/27/977950327.db2.gz OKKGPGRUAKRNOU-UHFFFAOYSA-N 1 2 229.243 1.439 20 30 BDEDLO Cc1[nH+]c(N)ccc1CN1CCCC[C@H]1C#N ZINC001232341298 978020047 /nfs/dbraw/zinc/02/00/47/978020047.db2.gz QRFHVIAUFGOJGV-LBPRGKRZSA-N 1 2 230.315 1.850 20 30 BDEDLO C#Cc1cc(Nc2ccc3nonc3c2)cc[nH+]1 ZINC001176320356 978035960 /nfs/dbraw/zinc/03/59/60/978035960.db2.gz CJOKPELAUBIDPD-UHFFFAOYSA-N 1 2 236.234 1.765 20 30 BDEDLO COC(C[N@H+](C)Cc1cc(C#N)ccn1)OC ZINC001232478033 978127717 /nfs/dbraw/zinc/12/77/17/978127717.db2.gz GUCJSHPJKHPXAF-UHFFFAOYSA-N 1 2 235.287 1.004 20 30 BDEDLO COC(C[N@@H+](C)Cc1cc(C#N)ccn1)OC ZINC001232478033 978127722 /nfs/dbraw/zinc/12/77/22/978127722.db2.gz GUCJSHPJKHPXAF-UHFFFAOYSA-N 1 2 235.287 1.004 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232475837 978129966 /nfs/dbraw/zinc/12/99/66/978129966.db2.gz TXLXJMCVOLXJDH-KOLCDFICSA-N 1 2 219.263 1.886 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001232475837 978129973 /nfs/dbraw/zinc/12/99/73/978129973.db2.gz TXLXJMCVOLXJDH-KOLCDFICSA-N 1 2 219.263 1.886 20 30 BDEDLO C#CC1(O)C[NH+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001176792626 978180026 /nfs/dbraw/zinc/18/00/26/978180026.db2.gz FMYHIFSIOLQAOT-OLZOCXBDSA-N 1 2 221.344 1.883 20 30 BDEDLO Cc1cc(C#N)c(NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001176828046 978193344 /nfs/dbraw/zinc/19/33/44/978193344.db2.gz VLMXDEOKRUQRLO-UHFFFAOYSA-N 1 2 246.295 1.833 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(C)cc1C ZINC001233010775 978404299 /nfs/dbraw/zinc/40/42/99/978404299.db2.gz BIZPFROQRNTCQA-UHFFFAOYSA-N 1 2 212.296 1.767 20 30 BDEDLO CCCO[C@@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233043863 978424746 /nfs/dbraw/zinc/42/47/46/978424746.db2.gz IMLWDUTYZVNYHQ-GFCCVEGCSA-N 1 2 233.315 1.887 20 30 BDEDLO CCCO[C@@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233043863 978424759 /nfs/dbraw/zinc/42/47/59/978424759.db2.gz IMLWDUTYZVNYHQ-GFCCVEGCSA-N 1 2 233.315 1.887 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC001337650792 978443057 /nfs/dbraw/zinc/44/30/57/978443057.db2.gz SHQVQJQSNXPIHW-LBPRGKRZSA-N 1 2 248.326 1.485 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC001337650792 978443065 /nfs/dbraw/zinc/44/30/65/978443065.db2.gz SHQVQJQSNXPIHW-LBPRGKRZSA-N 1 2 248.326 1.485 20 30 BDEDLO C[C@@]1(C#N)CN(c2cc[nH+]cc2)CCO1 ZINC001337680717 978457193 /nfs/dbraw/zinc/45/71/93/978457193.db2.gz XNYYDHNJZMCDQX-LLVKDONJSA-N 1 2 203.245 1.200 20 30 BDEDLO CCCCN(CC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001177995152 978495183 /nfs/dbraw/zinc/49/51/83/978495183.db2.gz SIVJJUNRCJDSGG-UHFFFAOYSA-N 1 2 234.303 1.495 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001337861782 978533220 /nfs/dbraw/zinc/53/32/20/978533220.db2.gz GSJUHOBUHYDHKU-UWVGGRQHSA-N 1 2 220.276 1.062 20 30 BDEDLO CN(CCC#N)Cc1cccc2[nH+]ccn21 ZINC001233360558 978572832 /nfs/dbraw/zinc/57/28/32/978572832.db2.gz SGFZIUPKOIUHRY-UHFFFAOYSA-N 1 2 214.272 1.680 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)C[C@H](C)O1 ZINC001233382735 978590797 /nfs/dbraw/zinc/59/07/97/978590797.db2.gz HMTJGQWIYWLAAB-PHIMTYICSA-N 1 2 246.310 1.873 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)C[C@H](C)O1 ZINC001233382735 978590802 /nfs/dbraw/zinc/59/08/02/978590802.db2.gz HMTJGQWIYWLAAB-PHIMTYICSA-N 1 2 246.310 1.873 20 30 BDEDLO Cc1ncc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC001338290360 978653116 /nfs/dbraw/zinc/65/31/16/978653116.db2.gz UQIXZGRRQSZPHX-PHIMTYICSA-N 1 2 248.330 1.401 20 30 BDEDLO Cc1ncc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC001338290360 978653130 /nfs/dbraw/zinc/65/31/30/978653130.db2.gz UQIXZGRRQSZPHX-PHIMTYICSA-N 1 2 248.330 1.401 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cn(C)nc1C1CC1 ZINC001179479419 978708911 /nfs/dbraw/zinc/70/89/11/978708911.db2.gz LZDGEQOKYFVTPN-SECBINFHSA-N 1 2 218.304 1.689 20 30 BDEDLO COc1ncc(C[NH+]2CCC(C#N)CC2)cn1 ZINC001206381640 978712708 /nfs/dbraw/zinc/71/27/08/978712708.db2.gz OWRLTDGPOSTMDR-UHFFFAOYSA-N 1 2 232.287 1.221 20 30 BDEDLO O=C1C=C2C[N@H+](CCCCO)CCC2S1 ZINC001235466565 979047758 /nfs/dbraw/zinc/04/77/58/979047758.db2.gz OMKQPGHTSWTHKS-SNVBAGLBSA-N 1 2 227.329 1.033 20 30 BDEDLO O=C1C=C2C[N@@H+](CCCCO)CCC2S1 ZINC001235466565 979047761 /nfs/dbraw/zinc/04/77/61/979047761.db2.gz OMKQPGHTSWTHKS-SNVBAGLBSA-N 1 2 227.329 1.033 20 30 BDEDLO O=C1C=C2C[N@H+](CCCCO)CC[C@H]2S1 ZINC001235466565 979047765 /nfs/dbraw/zinc/04/77/65/979047765.db2.gz OMKQPGHTSWTHKS-SNVBAGLBSA-N 1 2 227.329 1.033 20 30 BDEDLO N#CCc1ccccc1C[NH+]1CCN(C#N)CC1 ZINC001235535586 979074986 /nfs/dbraw/zinc/07/49/86/979074986.db2.gz UFYKBQCJFLMVPK-UHFFFAOYSA-N 1 2 240.310 1.351 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236617504 979681539 /nfs/dbraw/zinc/68/15/39/979681539.db2.gz JOOXBPWMCACHFA-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236617504 979681544 /nfs/dbraw/zinc/68/15/44/979681544.db2.gz JOOXBPWMCACHFA-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001183801831 979890627 /nfs/dbraw/zinc/89/06/27/979890627.db2.gz UPMBTQSSACBTSP-UHFFFAOYSA-N 1 2 234.343 1.507 20 30 BDEDLO CCn1c[nH+]cc1CN1CCC[C@H]1C#N ZINC001237588758 979951858 /nfs/dbraw/zinc/95/18/58/979951858.db2.gz WQAXHIXBOSCULF-JTQLQIEISA-N 1 2 204.277 1.391 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC001237749187 980046042 /nfs/dbraw/zinc/04/60/42/980046042.db2.gz NNGSLUZPVOPQIC-NSHDSACASA-N 1 2 228.295 1.967 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC001237749187 980046045 /nfs/dbraw/zinc/04/60/45/980046045.db2.gz NNGSLUZPVOPQIC-NSHDSACASA-N 1 2 228.295 1.967 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(CC#N)n1 ZINC001343583300 980156064 /nfs/dbraw/zinc/15/60/64/980156064.db2.gz XAZQAULTDXREAY-NSHDSACASA-N 1 2 241.298 1.845 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(O)ccc1C ZINC001238109090 980161827 /nfs/dbraw/zinc/16/18/27/980161827.db2.gz IJLKLSMBDNPPDT-UHFFFAOYSA-N 1 2 213.280 1.769 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CC(C)(C)O1 ZINC001190581168 980891695 /nfs/dbraw/zinc/89/16/95/980891695.db2.gz AMHZEQYGDULIEC-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC(C)(C)O1 ZINC001190581168 980891696 /nfs/dbraw/zinc/89/16/96/980891696.db2.gz AMHZEQYGDULIEC-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C#Cc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC001191100888 980968789 /nfs/dbraw/zinc/96/87/89/980968789.db2.gz LWNDNWQJDGPAOM-UHFFFAOYSA-N 1 2 239.278 1.294 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)NCCCCC#N ZINC001347601305 981124161 /nfs/dbraw/zinc/12/41/61/981124161.db2.gz AGFSUXZNJVXFTR-UHFFFAOYSA-N 1 2 234.303 1.163 20 30 BDEDLO C=C(CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001348148634 981296438 /nfs/dbraw/zinc/29/64/38/981296438.db2.gz HCQXKNULDYFBCZ-GFCCVEGCSA-N 1 2 245.326 1.743 20 30 BDEDLO N#Cc1cncnc1-c1ccn2cc[nH+]c2c1 ZINC001240496952 981418172 /nfs/dbraw/zinc/41/81/72/981418172.db2.gz UHBKSZAVGWDAPX-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#CCC1(O)C[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001193713847 981429373 /nfs/dbraw/zinc/42/93/73/981429373.db2.gz JUYKZRGAKKDIKT-NEPJUHHUSA-N 1 2 220.316 1.383 20 30 BDEDLO C#CCN1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC001205655454 981603965 /nfs/dbraw/zinc/60/39/65/981603965.db2.gz OMRDFDCLFVCCQX-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(C)ccc2F)CC1 ZINC001205655454 981603970 /nfs/dbraw/zinc/60/39/70/981603970.db2.gz OMRDFDCLFVCCQX-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO Cc1c[nH+]cc(C)c1NC(=O)c1coc(C#N)c1 ZINC001584256595 981861178 /nfs/dbraw/zinc/86/11/78/981861178.db2.gz IQVKLAPPVIOGJM-UHFFFAOYSA-N 1 2 241.250 1.837 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785124 982591451 /nfs/dbraw/zinc/59/14/51/982591451.db2.gz AWAWUCIQOLOZSQ-YPMHNXCESA-N 1 2 249.358 1.731 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785124 982591459 /nfs/dbraw/zinc/59/14/59/982591459.db2.gz AWAWUCIQOLOZSQ-YPMHNXCESA-N 1 2 249.358 1.731 20 30 BDEDLO Cn1cc(Nc2ccc(N)[nH+]c2)c(C#N)n1 ZINC001201279468 983155758 /nfs/dbraw/zinc/15/57/58/983155758.db2.gz WJXIMZVKMVOVSI-UHFFFAOYSA-N 1 2 214.232 1.013 20 30 BDEDLO Cn1ncc(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001201272091 983172584 /nfs/dbraw/zinc/17/25/84/983172584.db2.gz INSMJFGBUPGMQR-UHFFFAOYSA-N 1 2 214.232 1.013 20 30 BDEDLO N#Cc1ccncc1Nc1ccc(N)[nH+]c1 ZINC001201276354 983176000 /nfs/dbraw/zinc/17/60/00/983176000.db2.gz VCFNLJGJRQGTNQ-UHFFFAOYSA-N 1 2 211.228 1.674 20 30 BDEDLO C#C[C@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001355289163 983462140 /nfs/dbraw/zinc/46/21/40/983462140.db2.gz AJQGKQNKBVAWNF-LLVKDONJSA-N 1 2 231.299 1.459 20 30 BDEDLO C=CCN1C[C@@]2(F)C[N@@H+](C(C)C)C[C@@]2(F)C1=O ZINC001273913297 983497557 /nfs/dbraw/zinc/49/75/57/983497557.db2.gz MSNGRHDTZACYNT-VXGBXAGGSA-N 1 2 244.285 1.155 20 30 BDEDLO C=CCN1C[C@@]2(F)C[N@H+](C(C)C)C[C@@]2(F)C1=O ZINC001273913297 983497568 /nfs/dbraw/zinc/49/75/68/983497568.db2.gz MSNGRHDTZACYNT-VXGBXAGGSA-N 1 2 244.285 1.155 20 30 BDEDLO Cc1cc(CNc2n[nH]cc2C#N)cc(C)[nH+]1 ZINC001202328760 983632589 /nfs/dbraw/zinc/63/25/89/983632589.db2.gz LJPZYPHVFQQIDQ-UHFFFAOYSA-N 1 2 227.271 1.905 20 30 BDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]CC(C)(C)O ZINC001252366169 983748875 /nfs/dbraw/zinc/74/88/75/983748875.db2.gz YMRXBTBXYXOKFF-NSHDSACASA-N 1 2 243.347 1.491 20 30 BDEDLO C=CCNC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001202580604 984088294 /nfs/dbraw/zinc/08/82/94/984088294.db2.gz XVKDWYHMKXYDKA-UHFFFAOYSA-N 1 2 230.271 1.320 20 30 BDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274030322 984241385 /nfs/dbraw/zinc/24/13/85/984241385.db2.gz JCSHKPLMFRZGEJ-CQSZACIVSA-N 1 2 247.342 1.543 20 30 BDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274030322 984241398 /nfs/dbraw/zinc/24/13/98/984241398.db2.gz JCSHKPLMFRZGEJ-CQSZACIVSA-N 1 2 247.342 1.543 20 30 BDEDLO Cc1nc(C#N)cc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240503628 984310348 /nfs/dbraw/zinc/31/03/48/984310348.db2.gz PQFWXBCRMFZNBR-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C[N@@H+]1CCC12CN(Cc1ccc(C#N)s1)C2 ZINC001275589624 984616115 /nfs/dbraw/zinc/61/61/15/984616115.db2.gz VSFSFQIUCPJGGY-UHFFFAOYSA-N 1 2 233.340 1.510 20 30 BDEDLO C[N@H+]1CCC12CN(Cc1ccc(C#N)s1)C2 ZINC001275589624 984616119 /nfs/dbraw/zinc/61/61/19/984616119.db2.gz VSFSFQIUCPJGGY-UHFFFAOYSA-N 1 2 233.340 1.510 20 30 BDEDLO C=C[C@H](C)ONC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001452738709 984946876 /nfs/dbraw/zinc/94/68/76/984946876.db2.gz QDWCIYGGNYWBAO-JTQLQIEISA-N 1 2 245.282 1.879 20 30 BDEDLO C#CC[N@H+](Cc1nccc(N)n1)C(C)(C)C ZINC000932463698 985015430 /nfs/dbraw/zinc/01/54/30/985015430.db2.gz LPEPKBPUSNKVNX-UHFFFAOYSA-N 1 2 218.304 1.293 20 30 BDEDLO C#CC[N@@H+](Cc1nccc(N)n1)C(C)(C)C ZINC000932463698 985015444 /nfs/dbraw/zinc/01/54/44/985015444.db2.gz LPEPKBPUSNKVNX-UHFFFAOYSA-N 1 2 218.304 1.293 20 30 BDEDLO CC(C)c1[nH]cc(CNc2cc(C#N)ncn2)[nH+]1 ZINC001458638084 985336392 /nfs/dbraw/zinc/33/63/92/985336392.db2.gz KSVAGDMDJPVHFB-UHFFFAOYSA-N 1 2 242.286 1.807 20 30 BDEDLO CC(C)c1[nH]c(CNc2cc(C#N)ncn2)c[nH+]1 ZINC001458638084 985336408 /nfs/dbraw/zinc/33/64/08/985336408.db2.gz KSVAGDMDJPVHFB-UHFFFAOYSA-N 1 2 242.286 1.807 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(F)c1N ZINC000688067124 985546994 /nfs/dbraw/zinc/54/69/94/985546994.db2.gz KEAQFWDUTPYVGJ-UHFFFAOYSA-N 1 2 230.286 1.866 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(F)c1N ZINC000688067124 985547015 /nfs/dbraw/zinc/54/70/15/985547015.db2.gz KEAQFWDUTPYVGJ-UHFFFAOYSA-N 1 2 230.286 1.866 20 30 BDEDLO CC[C@@H](CC(F)F)C[NH+]1CC(O)(CC#N)C1 ZINC001460001209 985700371 /nfs/dbraw/zinc/70/03/71/985700371.db2.gz IRJSNYDEYLNFHW-VIFPVBQESA-N 1 2 232.274 1.628 20 30 BDEDLO CC(C)(C)OCCCC[NH+]1CC(O)(CC#N)C1 ZINC001459995949 985690730 /nfs/dbraw/zinc/69/07/30/985690730.db2.gz WXNQFDIQWHZGPP-UHFFFAOYSA-N 1 2 240.347 1.542 20 30 BDEDLO C#CC[N@H+](CC1=NOCC1)Cc1ccccc1 ZINC001460069569 985722136 /nfs/dbraw/zinc/72/21/36/985722136.db2.gz HRNGERHJCPOHTG-UHFFFAOYSA-N 1 2 228.295 1.898 20 30 BDEDLO C#CC[N@@H+](CC1=NOCC1)Cc1ccccc1 ZINC001460069569 985722138 /nfs/dbraw/zinc/72/21/38/985722138.db2.gz HRNGERHJCPOHTG-UHFFFAOYSA-N 1 2 228.295 1.898 20 30 BDEDLO CSC(C)(C)C[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258333845 985811818 /nfs/dbraw/zinc/81/18/18/985811818.db2.gz BKBYDYMEIUSRDS-QWRGUYRKSA-N 1 2 241.404 1.704 20 30 BDEDLO C=C[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001253572060 986093392 /nfs/dbraw/zinc/09/33/92/986093392.db2.gz LAXXETSODFRZQQ-JTQLQIEISA-N 1 2 203.245 1.293 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001464572032 986644260 /nfs/dbraw/zinc/64/42/60/986644260.db2.gz FPKGJFMNVMODSL-VIFPVBQESA-N 1 2 220.276 1.151 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+][C@@H](CC)CC#N)C(=O)NO ZINC001255164176 986839194 /nfs/dbraw/zinc/83/91/94/986839194.db2.gz HSRBTLOPMOFBQS-GUBZILKMSA-N 1 2 227.308 1.188 20 30 BDEDLO C=CCONC(=O)NCCCCn1cc[nH+]c1 ZINC001470185150 987023117 /nfs/dbraw/zinc/02/31/17/987023117.db2.gz JLNTYXIOKYGRDY-UHFFFAOYSA-N 1 2 238.291 1.080 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001115954872 987419708 /nfs/dbraw/zinc/41/97/08/987419708.db2.gz AGSBUYHIZQEVPF-ZJUUUORDSA-N 1 2 220.276 1.253 20 30 BDEDLO C[C@@H](C(=O)NC1(C#N)CCCC1)n1cc[nH+]c1 ZINC001115999819 987424708 /nfs/dbraw/zinc/42/47/08/987424708.db2.gz LRVPTVVLXCMZFM-JTQLQIEISA-N 1 2 232.287 1.397 20 30 BDEDLO C#CC[N@@H+](Cc1occc1C(=O)OC)CC1CC1 ZINC001116368116 987534332 /nfs/dbraw/zinc/53/43/32/987534332.db2.gz FPAQRZMUPXPGOJ-UHFFFAOYSA-N 1 2 247.294 1.911 20 30 BDEDLO C#CC[N@H+](Cc1occc1C(=O)OC)CC1CC1 ZINC001116368116 987534362 /nfs/dbraw/zinc/53/43/62/987534362.db2.gz FPAQRZMUPXPGOJ-UHFFFAOYSA-N 1 2 247.294 1.911 20 30 BDEDLO C#CCN(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001117795018 987920449 /nfs/dbraw/zinc/92/04/49/987920449.db2.gz IRIMMGRASLQJOT-JTQLQIEISA-N 1 2 217.272 1.068 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CCn2cccc2)C1 ZINC001494470410 988151472 /nfs/dbraw/zinc/15/14/72/988151472.db2.gz SDRALBXZTGIBAI-UHFFFAOYSA-N 1 2 247.342 1.255 20 30 BDEDLO C[C@H](C(=O)N(C[C@H](C)C#N)C1CC1)n1cc[nH+]c1 ZINC001322966514 988420477 /nfs/dbraw/zinc/42/04/77/988420477.db2.gz LNZNLUNCCFDHRD-GHMZBOCLSA-N 1 2 246.314 1.595 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001323290069 988489133 /nfs/dbraw/zinc/48/91/33/988489133.db2.gz IBSXEPNMEIWKQF-MNOVXSKESA-N 1 2 233.315 1.608 20 30 BDEDLO C=CCN(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001323392382 988516590 /nfs/dbraw/zinc/51/65/90/988516590.db2.gz OPHRCBJVQLPHFN-JTQLQIEISA-N 1 2 219.288 1.621 20 30 BDEDLO N#CC1(CC(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC001118849324 988648298 /nfs/dbraw/zinc/64/82/98/988648298.db2.gz ROMAXELUFCGJLY-VIFPVBQESA-N 1 2 230.271 1.138 20 30 BDEDLO C=CCCNC(=S)NCCCn1cc[nH+]c1 ZINC001247589326 988933579 /nfs/dbraw/zinc/93/35/79/988933579.db2.gz OACFPJOGHZOTDV-UHFFFAOYSA-N 1 2 238.360 1.313 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(Br)cn1 ZINC001249493002 989293438 /nfs/dbraw/zinc/29/34/38/989293438.db2.gz WJNKPFOZCGICSH-UHFFFAOYSA-N 1 2 240.104 1.304 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(Br)cn1 ZINC001249493002 989293445 /nfs/dbraw/zinc/29/34/45/989293445.db2.gz WJNKPFOZCGICSH-UHFFFAOYSA-N 1 2 240.104 1.304 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OCC ZINC001326447292 989560229 /nfs/dbraw/zinc/56/02/29/989560229.db2.gz SRXHEGXHDDBLDJ-OUAUKWLOSA-N 1 2 243.372 1.835 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N[C@H](C#N)C(C)(C)C ZINC001521467352 989709482 /nfs/dbraw/zinc/70/94/82/989709482.db2.gz QTXAEKOZQOUGQX-SNVBAGLBSA-N 1 2 248.330 1.407 20 30 BDEDLO C=CC[C@H](CC)NC(=O)CCc1[nH+]ccn1C ZINC001521555460 989743077 /nfs/dbraw/zinc/74/30/77/989743077.db2.gz SQMSZWIPKOYAEV-NSHDSACASA-N 1 2 235.331 1.824 20 30 BDEDLO C=C(CC(C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001528425415 990288605 /nfs/dbraw/zinc/28/86/05/990288605.db2.gz IMJBJNVXNZIVIM-UHFFFAOYSA-N 1 2 233.315 1.828 20 30 BDEDLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2C#N)c[nH+]1 ZINC001536110569 990479872 /nfs/dbraw/zinc/47/98/72/990479872.db2.gz YQRDEOGBNVTANH-ZYHUDNBSSA-N 1 2 229.283 1.474 20 30 BDEDLO C#Cc1cccc(NC(=O)[C@@H]2CC[N@H+]2CC)c1 ZINC001540336894 990608207 /nfs/dbraw/zinc/60/82/07/990608207.db2.gz BBZIVFCWVFVVFL-ZDUSSCGKSA-N 1 2 228.295 1.701 20 30 BDEDLO C#Cc1cccc(NC(=O)[C@@H]2CC[N@@H+]2CC)c1 ZINC001540336894 990608211 /nfs/dbraw/zinc/60/82/11/990608211.db2.gz BBZIVFCWVFVVFL-ZDUSSCGKSA-N 1 2 228.295 1.701 20 30 BDEDLO Cn1c[nH+]cc1C1CCN(C(=O)CC#N)CC1 ZINC001124126396 990755194 /nfs/dbraw/zinc/75/51/94/990755194.db2.gz MJMHEZWSCLVEFP-UHFFFAOYSA-N 1 2 232.287 1.040 20 30 BDEDLO C#CCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137838672 990856025 /nfs/dbraw/zinc/85/60/25/990856025.db2.gz HAEWTTNTGISCRN-UHFFFAOYSA-N 1 2 248.301 1.282 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829735663 990866771 /nfs/dbraw/zinc/86/67/71/990866771.db2.gz GVGBRYKDFRONAK-MRVPVSSYSA-N 1 2 220.276 1.007 20 30 BDEDLO C[N@H+](CCC#N)Cc1cccc(F)c1O ZINC001138122609 990884046 /nfs/dbraw/zinc/88/40/46/990884046.db2.gz PVKQPPGHAZGXLB-UHFFFAOYSA-N 1 2 208.236 1.877 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cccc(F)c1O ZINC001138122609 990884048 /nfs/dbraw/zinc/88/40/48/990884048.db2.gz PVKQPPGHAZGXLB-UHFFFAOYSA-N 1 2 208.236 1.877 20 30 BDEDLO N#CCC[N@@H+](Cc1cnc(N)nc1)C1CCCC1 ZINC001138165364 990893579 /nfs/dbraw/zinc/89/35/79/990893579.db2.gz MYNBUIRVHUHWGF-UHFFFAOYSA-N 1 2 245.330 1.717 20 30 BDEDLO N#CCC[N@H+](Cc1cnc(N)nc1)C1CCCC1 ZINC001138165364 990893580 /nfs/dbraw/zinc/89/35/80/990893580.db2.gz MYNBUIRVHUHWGF-UHFFFAOYSA-N 1 2 245.330 1.717 20 30 BDEDLO C=CCn1cc(C[N@@H+](C)C2(C)COC2)cn1 ZINC001139772522 991367062 /nfs/dbraw/zinc/36/70/62/991367062.db2.gz JUUCUFIEHINDOO-UHFFFAOYSA-N 1 2 221.304 1.290 20 30 BDEDLO C=CCn1cc(C[N@H+](C)C2(C)COC2)cn1 ZINC001139772522 991367068 /nfs/dbraw/zinc/36/70/68/991367068.db2.gz JUUCUFIEHINDOO-UHFFFAOYSA-N 1 2 221.304 1.290 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cc(F)ccc1O ZINC001140052993 991510333 /nfs/dbraw/zinc/51/03/33/991510333.db2.gz KNXNQYVCKLFDIO-UHFFFAOYSA-N 1 2 208.236 1.877 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(F)c1 ZINC001140135006 991538636 /nfs/dbraw/zinc/53/86/36/991538636.db2.gz NKPNNDQFTPDVKU-UHFFFAOYSA-N 1 2 246.285 1.654 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)C(=C)C)C1 ZINC001318052136 991617044 /nfs/dbraw/zinc/61/70/44/991617044.db2.gz WUBNNLZMYSNBKI-UHFFFAOYSA-N 1 2 236.359 1.965 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)C[C@@H]1F ZINC001140540326 991663968 /nfs/dbraw/zinc/66/39/68/991663968.db2.gz RIRMTEKRVZETNO-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)C[C@@H]1F ZINC001140540326 991663973 /nfs/dbraw/zinc/66/39/73/991663973.db2.gz RIRMTEKRVZETNO-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO C[C@H](C(=O)N(CC#N)C1CCCC1)n1cc[nH+]c1 ZINC001319007119 991758725 /nfs/dbraw/zinc/75/87/25/991758725.db2.gz IYXFGOCTVBYNLH-LLVKDONJSA-N 1 2 246.314 1.739 20 30 BDEDLO C#CC1(O)C[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001474738665 991852645 /nfs/dbraw/zinc/85/26/45/991852645.db2.gz VWSIQQVYFRASCZ-ZIAGYGMSSA-N 1 2 227.307 1.470 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](C)(C#N)C1 ZINC001566756433 991872915 /nfs/dbraw/zinc/87/29/15/991872915.db2.gz BQJGVHUNQNQWDG-CYBMUJFWSA-N 1 2 246.314 1.413 20 30 BDEDLO CC[C@H](Cc1ccccc1)N1CC[NH2+]C[C@@H]1C#N ZINC001258845675 991878765 /nfs/dbraw/zinc/87/87/65/991878765.db2.gz DWHPIIPBWYYAHA-CABCVRRESA-N 1 2 243.354 1.805 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001319553488 991893162 /nfs/dbraw/zinc/89/31/62/991893162.db2.gz VTCWLMGYOQMERR-UHFFFAOYSA-N 1 2 235.331 1.546 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001319553488 991893163 /nfs/dbraw/zinc/89/31/63/991893163.db2.gz VTCWLMGYOQMERR-UHFFFAOYSA-N 1 2 235.331 1.546 20 30 BDEDLO Cc1cc(CNC(=O)[C@H](C)C#N)cc(C)[nH+]1 ZINC001299549194 991898486 /nfs/dbraw/zinc/89/84/86/991898486.db2.gz YWVAUACGMZEBOE-MRVPVSSYSA-N 1 2 217.272 1.474 20 30 BDEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1C(C)C ZINC001259935535 992038882 /nfs/dbraw/zinc/03/88/82/992038882.db2.gz HFFBIQFAPDQSIV-UHFFFAOYSA-N 1 2 243.332 1.069 20 30 BDEDLO Cn1c[nH+]cc1CCNC(=O)C#CC(C)(C)C ZINC001567517522 992060261 /nfs/dbraw/zinc/06/02/61/992060261.db2.gz QZKHIFJOZYTJKI-UHFFFAOYSA-N 1 2 233.315 1.128 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CCCC)C1 ZINC001567783312 992087132 /nfs/dbraw/zinc/08/71/32/992087132.db2.gz CKSYYCIFBVPHHV-UHFFFAOYSA-N 1 2 208.305 1.000 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001262006167 992585069 /nfs/dbraw/zinc/58/50/69/992585069.db2.gz BXJYEHLJNLOWHW-NSHDSACASA-N 1 2 208.261 1.452 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001262006167 992585078 /nfs/dbraw/zinc/58/50/78/992585078.db2.gz BXJYEHLJNLOWHW-NSHDSACASA-N 1 2 208.261 1.452 20 30 BDEDLO C=C(C)CCC(=O)NCCn1cc[nH+]c1 ZINC001262601871 992955380 /nfs/dbraw/zinc/95/53/80/992955380.db2.gz OXTHWAKAFYGDHQ-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO Cc1[nH]c(CNc2nnccc2C#N)[nH+]c1C ZINC001262705644 993045804 /nfs/dbraw/zinc/04/58/04/993045804.db2.gz OHRUHFSPFAQGKA-UHFFFAOYSA-N 1 2 228.259 1.300 20 30 BDEDLO C=C(CC(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001263845976 993551359 /nfs/dbraw/zinc/55/13/59/993551359.db2.gz FHQFSUAMJDYFGA-GFCCVEGCSA-N 1 2 247.342 1.916 20 30 BDEDLO C#CC1(NC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001263905849 993590309 /nfs/dbraw/zinc/59/03/09/993590309.db2.gz OEJFFYHKFVJIEO-UHFFFAOYSA-N 1 2 245.326 1.415 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001266218254 994061307 /nfs/dbraw/zinc/06/13/07/994061307.db2.gz NPODJWYXJIVKDU-GFCCVEGCSA-N 1 2 240.322 1.196 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001266218254 994061311 /nfs/dbraw/zinc/06/13/11/994061311.db2.gz NPODJWYXJIVKDU-GFCCVEGCSA-N 1 2 240.322 1.196 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001333574534 994478362 /nfs/dbraw/zinc/47/83/62/994478362.db2.gz OMMCVXIOWRZPSH-WDEREUQCSA-N 1 2 219.288 1.621 20 30 BDEDLO CN(C)c1ncc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000408075672 136210130 /nfs/dbraw/zinc/21/01/30/136210130.db2.gz ZHZCFPWZRYTSSL-UHFFFAOYSA-N 1 2 245.330 1.278 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602094405 349447690 /nfs/dbraw/zinc/44/76/90/349447690.db2.gz SWBYVJRZEAGMBD-IVZWLZJFSA-N 1 2 232.287 1.274 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602094405 349447694 /nfs/dbraw/zinc/44/76/94/349447694.db2.gz SWBYVJRZEAGMBD-IVZWLZJFSA-N 1 2 232.287 1.274 20 30 BDEDLO Cc1cn2ccc(C(=O)NCCCC#N)cc2[nH+]1 ZINC000602132053 349458673 /nfs/dbraw/zinc/45/86/73/349458673.db2.gz WQRJHIRRAVFTTG-UHFFFAOYSA-N 1 2 242.282 1.676 20 30 BDEDLO Cc1cn2ccc(C(=O)N3CC(C#N)C3)cc2[nH+]1 ZINC000602162560 349466212 /nfs/dbraw/zinc/46/62/12/349466212.db2.gz YGZDPZMWUFMZQJ-UHFFFAOYSA-N 1 2 240.266 1.238 20 30 BDEDLO CC#CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277801033 398153835 /nfs/dbraw/zinc/15/38/35/398153835.db2.gz VPMPCIGGNGDBIM-UHFFFAOYSA-N 1 2 217.272 1.139 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nnc2ccccn21 ZINC000649340859 398157442 /nfs/dbraw/zinc/15/74/42/398157442.db2.gz DETUADKMKLBYJN-LLVKDONJSA-N 1 2 246.314 1.098 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nnc2ccccn21 ZINC000649340859 398157446 /nfs/dbraw/zinc/15/74/46/398157446.db2.gz DETUADKMKLBYJN-LLVKDONJSA-N 1 2 246.314 1.098 20 30 BDEDLO Cc1cocc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602335258 349509799 /nfs/dbraw/zinc/50/97/99/349509799.db2.gz VKWZHSDPUWRCGP-LBPRGKRZSA-N 1 2 235.287 1.162 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(C)(C)C ZINC000042449679 398172335 /nfs/dbraw/zinc/17/23/35/398172335.db2.gz UCVNKUPBKGKNMS-MNOVXSKESA-N 1 2 239.363 1.771 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(C)(C)C ZINC000042449679 398172339 /nfs/dbraw/zinc/17/23/39/398172339.db2.gz UCVNKUPBKGKNMS-MNOVXSKESA-N 1 2 239.363 1.771 20 30 BDEDLO CCC[C@@](C)([NH2+]CCCC#N)C(=O)OC ZINC000109802845 136215561 /nfs/dbraw/zinc/21/55/61/136215561.db2.gz MLNJOOJBHIJVHD-LLVKDONJSA-N 1 2 212.293 1.612 20 30 BDEDLO Cn1c[nH+]cc1CN(CCC#N)CC1CC1 ZINC000177123034 136216823 /nfs/dbraw/zinc/21/68/23/136216823.db2.gz LMRPHDXTNGUIBF-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO C=CCCCN(C)c1nc[nH+]c(N)c1OC ZINC000576291160 365554983 /nfs/dbraw/zinc/55/49/83/365554983.db2.gz BTBPAJFKVSXGSR-UHFFFAOYSA-N 1 2 222.292 1.470 20 30 BDEDLO C=CCCCN(C)c1[nH+]cnc(N)c1OC ZINC000576291160 365554987 /nfs/dbraw/zinc/55/49/87/365554987.db2.gz BTBPAJFKVSXGSR-UHFFFAOYSA-N 1 2 222.292 1.470 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCCCS(C)(=O)=O ZINC000119383948 343983758 /nfs/dbraw/zinc/98/37/58/343983758.db2.gz ILTAKKJXNBDXLH-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCCCS(C)(=O)=O ZINC000119383948 343983760 /nfs/dbraw/zinc/98/37/60/343983760.db2.gz ILTAKKJXNBDXLH-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc([N+](=O)[O-])c1C ZINC000076185887 398226260 /nfs/dbraw/zinc/22/62/60/398226260.db2.gz LKXBAYVXEZCROP-UHFFFAOYSA-N 1 2 242.278 1.972 20 30 BDEDLO C=CCCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000280129452 538936464 /nfs/dbraw/zinc/93/64/64/538936464.db2.gz MKVVHDRLEZSXOV-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO C=CCCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000280129452 538936465 /nfs/dbraw/zinc/93/64/65/538936465.db2.gz MKVVHDRLEZSXOV-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccncc2)CC1 ZINC000161139417 136226617 /nfs/dbraw/zinc/22/66/17/136226617.db2.gz QFSFNLXDAUNLGH-UHFFFAOYSA-N 1 2 217.316 1.385 20 30 BDEDLO Cc1cc(N2CCn3c[nH+]cc3C2)cc(C#N)n1 ZINC000576511872 365613874 /nfs/dbraw/zinc/61/38/74/365613874.db2.gz WFWFNHMFDDNRCN-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2cc[nH+]c2)C1 ZINC000073767088 343994146 /nfs/dbraw/zinc/99/41/46/343994146.db2.gz ZYWQGBWZXGCFTB-DGCLKSJQSA-N 1 2 246.314 1.472 20 30 BDEDLO C=CCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000531121275 323004641 /nfs/dbraw/zinc/00/46/41/323004641.db2.gz XQFPSTSUSSTRPN-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000531121275 323004642 /nfs/dbraw/zinc/00/46/42/323004642.db2.gz XQFPSTSUSSTRPN-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO Cc1ccc(NCc2c[nH+]cn2C)nc1C#N ZINC000357605694 178361558 /nfs/dbraw/zinc/36/15/58/178361558.db2.gz YIMHNUUOSCJMKY-UHFFFAOYSA-N 1 2 227.271 1.029 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000615651870 398271895 /nfs/dbraw/zinc/27/18/95/398271895.db2.gz NRDOPTOHOGUPIR-QWRGUYRKSA-N 1 2 212.268 1.351 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000615651870 398271898 /nfs/dbraw/zinc/27/18/98/398271898.db2.gz NRDOPTOHOGUPIR-QWRGUYRKSA-N 1 2 212.268 1.351 20 30 BDEDLO C=CC(C)(C)CCNC(=O)Cn1cc[nH+]c1 ZINC000628312879 342679365 /nfs/dbraw/zinc/67/93/65/342679365.db2.gz RUHOHTWRSXZDMB-UHFFFAOYSA-N 1 2 221.304 1.602 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+]CCCC#N)C(=O)OC ZINC000183676177 346855020 /nfs/dbraw/zinc/85/50/20/346855020.db2.gz IUEGILKWIQOUMS-UWVGGRQHSA-N 1 2 212.293 1.467 20 30 BDEDLO N#CCC1C[NH+](Cc2cnc(C3CC3)o2)C1 ZINC000600180899 342697197 /nfs/dbraw/zinc/69/71/97/342697197.db2.gz NGXRXPJVPZEXPD-UHFFFAOYSA-N 1 2 217.272 1.897 20 30 BDEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)C[C@H]1O ZINC000336348800 342803026 /nfs/dbraw/zinc/80/30/26/342803026.db2.gz FGHGJJXLNCIHEE-CYBMUJFWSA-N 1 2 248.301 1.900 20 30 BDEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1O ZINC000336348800 342803028 /nfs/dbraw/zinc/80/30/28/342803028.db2.gz FGHGJJXLNCIHEE-CYBMUJFWSA-N 1 2 248.301 1.900 20 30 BDEDLO C[C@@H](O)CC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356113764 398289192 /nfs/dbraw/zinc/28/91/92/398289192.db2.gz REYGDMDMPHKIIT-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO C[C@@H](O)CC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356113764 398289194 /nfs/dbraw/zinc/28/91/94/398289194.db2.gz REYGDMDMPHKIIT-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO CC#CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000380983330 538993814 /nfs/dbraw/zinc/99/38/14/538993814.db2.gz BJEAHIAEHOLATD-UHFFFAOYSA-N 1 2 213.244 1.098 20 30 BDEDLO Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C#N)c(C)n1 ZINC000602607049 349628960 /nfs/dbraw/zinc/62/89/60/349628960.db2.gz FWQLIGWHMZKWOF-IUCAKERBSA-N 1 2 218.304 1.904 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(F)c1C#N ZINC000602607464 349630104 /nfs/dbraw/zinc/63/01/04/349630104.db2.gz KUFDPZIYFCJSNW-VIFPVBQESA-N 1 2 217.247 1.947 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351255998 136244160 /nfs/dbraw/zinc/24/41/60/136244160.db2.gz QRWWVFIUBOKDJD-NWDGAFQWSA-N 1 2 240.347 1.034 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351255998 136244161 /nfs/dbraw/zinc/24/41/61/136244161.db2.gz QRWWVFIUBOKDJD-NWDGAFQWSA-N 1 2 240.347 1.034 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(C2CC2)no1 ZINC000602608625 349631856 /nfs/dbraw/zinc/63/18/56/349631856.db2.gz UPPXDKNAWTYHDT-MRVPVSSYSA-N 1 2 205.261 1.944 20 30 BDEDLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC000114188319 398309397 /nfs/dbraw/zinc/30/93/97/398309397.db2.gz OJBGUNCCWDMLEG-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC000114188319 398309399 /nfs/dbraw/zinc/30/93/99/398309399.db2.gz OJBGUNCCWDMLEG-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C=C1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625154991 342895692 /nfs/dbraw/zinc/89/56/92/342895692.db2.gz MYJBDFIJTYOFFL-UHFFFAOYSA-N 1 2 224.348 1.801 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602613261 349636784 /nfs/dbraw/zinc/63/67/84/349636784.db2.gz VLNZGOPZSFJIBG-VIFPVBQESA-N 1 2 237.263 1.110 20 30 BDEDLO CCn1cc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000380010879 342914854 /nfs/dbraw/zinc/91/48/54/342914854.db2.gz RNMQYVCILXLNHM-UHFFFAOYSA-N 1 2 204.277 1.296 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000602631645 349648858 /nfs/dbraw/zinc/64/88/58/349648858.db2.gz ROCYUFOIUOQAHG-NXEZZACHSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000602631645 349648862 /nfs/dbraw/zinc/64/88/62/349648862.db2.gz ROCYUFOIUOQAHG-NXEZZACHSA-N 1 2 232.274 1.628 20 30 BDEDLO C[N@H+](CCCC#N)Cc1nnc2ccccn21 ZINC000081008874 342930411 /nfs/dbraw/zinc/93/04/11/342930411.db2.gz FKZYEALOFPORHV-UHFFFAOYSA-N 1 2 229.287 1.465 20 30 BDEDLO C[N@@H+](CCCC#N)Cc1nnc2ccccn21 ZINC000081008874 342930414 /nfs/dbraw/zinc/93/04/14/342930414.db2.gz FKZYEALOFPORHV-UHFFFAOYSA-N 1 2 229.287 1.465 20 30 BDEDLO C=C1CC(C)(C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000633131236 398329974 /nfs/dbraw/zinc/32/99/74/398329974.db2.gz GJWXZOLOHIMLIA-UHFFFAOYSA-N 1 2 231.299 1.651 20 30 BDEDLO C=C1CC(C)(C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000633131236 398329976 /nfs/dbraw/zinc/32/99/76/398329976.db2.gz GJWXZOLOHIMLIA-UHFFFAOYSA-N 1 2 231.299 1.651 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CC2(C#N)CCC2)on1 ZINC000602693180 349689664 /nfs/dbraw/zinc/68/96/64/349689664.db2.gz BYKOAZJBDQKYBG-UHFFFAOYSA-N 1 2 249.270 1.245 20 30 BDEDLO Cn1cc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000176252190 346907582 /nfs/dbraw/zinc/90/75/82/346907582.db2.gz VOQVNALOSAZBBZ-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1cc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000176252190 346907586 /nfs/dbraw/zinc/90/75/86/346907586.db2.gz VOQVNALOSAZBBZ-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000602734423 349719948 /nfs/dbraw/zinc/71/99/48/349719948.db2.gz ODNDGJLYAHTGGA-MNOVXSKESA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cc(COC)on1)C(C)(C)C ZINC000297369766 342992967 /nfs/dbraw/zinc/99/29/67/342992967.db2.gz HMZUEEYWEGQNRX-LBPRGKRZSA-N 1 2 236.315 1.959 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OC ZINC000602740418 349709177 /nfs/dbraw/zinc/70/91/77/349709177.db2.gz VXGSKQBMUFFTFC-GRYCIOLGSA-N 1 2 241.331 1.651 20 30 BDEDLO N#CC[N@H+](C[C@H]1CCc2ncnn21)C1CCCC1 ZINC000602780006 349746268 /nfs/dbraw/zinc/74/62/68/349746268.db2.gz ODRXUFQISSVIKB-GFCCVEGCSA-N 1 2 245.330 1.534 20 30 BDEDLO N#CC[N@@H+](C[C@H]1CCc2ncnn21)C1CCCC1 ZINC000602780006 349746270 /nfs/dbraw/zinc/74/62/70/349746270.db2.gz ODRXUFQISSVIKB-GFCCVEGCSA-N 1 2 245.330 1.534 20 30 BDEDLO N#CC[N@H+](C[C@@H]1CCc2ncnn21)C1CCCC1 ZINC000602780012 349746437 /nfs/dbraw/zinc/74/64/37/349746437.db2.gz ODRXUFQISSVIKB-LBPRGKRZSA-N 1 2 245.330 1.534 20 30 BDEDLO N#CC[N@@H+](C[C@@H]1CCc2ncnn21)C1CCCC1 ZINC000602780012 349746438 /nfs/dbraw/zinc/74/64/38/349746438.db2.gz ODRXUFQISSVIKB-LBPRGKRZSA-N 1 2 245.330 1.534 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000602863137 349774414 /nfs/dbraw/zinc/77/44/14/349774414.db2.gz LSDXHUBLDHTSHA-MNOVXSKESA-N 1 2 237.347 1.716 20 30 BDEDLO COCCN(CC#N)Cc1c(C)cc(C)[nH+]c1C ZINC000602838604 349777765 /nfs/dbraw/zinc/77/77/65/349777765.db2.gz VJKLABFKEVVVHS-UHFFFAOYSA-N 1 2 247.342 1.979 20 30 BDEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602860618 349771656 /nfs/dbraw/zinc/77/16/56/349771656.db2.gz DRMWTZJPXIDQNK-NEPJUHHUSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602860971 349772334 /nfs/dbraw/zinc/77/23/34/349772334.db2.gz FOFAGJBRSQYNPP-VHSXEESVSA-N 1 2 225.336 1.571 20 30 BDEDLO Cn1c[nH+]cc1CN1CCC(F)(C#N)CC1 ZINC000352464397 136263782 /nfs/dbraw/zinc/26/37/82/136263782.db2.gz SPQREANDQKJBRC-UHFFFAOYSA-N 1 2 222.267 1.248 20 30 BDEDLO Cn1cncc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352464397 136263783 /nfs/dbraw/zinc/26/37/83/136263783.db2.gz SPQREANDQKJBRC-UHFFFAOYSA-N 1 2 222.267 1.248 20 30 BDEDLO Cc1cc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)no1 ZINC000602849242 349784804 /nfs/dbraw/zinc/78/48/04/349784804.db2.gz KMPASFWLNPMTDC-GHMZBOCLSA-N 1 2 248.330 1.401 20 30 BDEDLO COCC1(C#N)CC[NH+](Cc2cocn2)CC1 ZINC000342843260 536801990 /nfs/dbraw/zinc/80/19/90/536801990.db2.gz WAGNRPUVWBMUJE-UHFFFAOYSA-N 1 2 235.287 1.427 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000353418899 136265278 /nfs/dbraw/zinc/26/52/78/136265278.db2.gz HWFBKCXGLWRGFP-SNVBAGLBSA-N 1 2 243.314 1.702 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000353418899 136265279 /nfs/dbraw/zinc/26/52/79/136265279.db2.gz HWFBKCXGLWRGFP-SNVBAGLBSA-N 1 2 243.314 1.702 20 30 BDEDLO N#CC1(C[NH2+][C@H](CO)c2cccc(F)c2)CC1 ZINC000359530487 136267147 /nfs/dbraw/zinc/26/71/47/136267147.db2.gz NCQMWMOILZTILE-GFCCVEGCSA-N 1 2 234.274 1.752 20 30 BDEDLO C=C(C)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000640802821 362049775 /nfs/dbraw/zinc/04/97/75/362049775.db2.gz DYKVUZDPBLXYDW-UHFFFAOYSA-N 1 2 238.360 1.403 20 30 BDEDLO Cc1nnsc1C[NH2+]C[C@H](C#N)CCC#N ZINC000309914111 343094776 /nfs/dbraw/zinc/09/47/76/343094776.db2.gz OIMJOICFIVAQAG-VIFPVBQESA-N 1 2 235.316 1.380 20 30 BDEDLO Cc1nnsc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000309914106 343094861 /nfs/dbraw/zinc/09/48/61/343094861.db2.gz OIMJOICFIVAQAG-SECBINFHSA-N 1 2 235.316 1.380 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1ncnn1CC(F)F ZINC000362957911 136268974 /nfs/dbraw/zinc/26/89/74/136268974.db2.gz LXDHBHFQNIYTLJ-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1ncnn1CC(F)F ZINC000362957911 136268975 /nfs/dbraw/zinc/26/89/75/136268975.db2.gz LXDHBHFQNIYTLJ-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cn2cccnc2n1 ZINC000602864641 349796823 /nfs/dbraw/zinc/79/68/23/349796823.db2.gz SFMGBHAKYWVNOO-VIFPVBQESA-N 1 2 215.260 1.121 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000602865151 349796911 /nfs/dbraw/zinc/79/69/11/349796911.db2.gz UBPOUIWMHUVLBV-GHMZBOCLSA-N 1 2 223.320 1.279 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602865819 349798018 /nfs/dbraw/zinc/79/80/18/349798018.db2.gz ZJDRBLSLPXTCJX-DCAQKATOSA-N 1 2 225.336 1.571 20 30 BDEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)CC#N ZINC000602868676 349799510 /nfs/dbraw/zinc/79/95/10/349799510.db2.gz KIDLHIYQUKAEPU-SNVBAGLBSA-N 1 2 229.283 1.959 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000602870046 349800862 /nfs/dbraw/zinc/80/08/62/349800862.db2.gz SAYXQRKGHXFFIW-MRVPVSSYSA-N 1 2 248.311 1.148 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCCC(C)(C)C ZINC000339764042 136280917 /nfs/dbraw/zinc/28/09/17/136280917.db2.gz QPFKWGHHXDITMA-UHFFFAOYSA-N 1 2 224.348 1.494 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000339764042 136280918 /nfs/dbraw/zinc/28/09/18/136280918.db2.gz QPFKWGHHXDITMA-UHFFFAOYSA-N 1 2 224.348 1.494 20 30 BDEDLO COC(=O)c1ccc(C[NH2+][C@@H](C)CC#N)nc1 ZINC000602870658 349801742 /nfs/dbraw/zinc/80/17/42/349801742.db2.gz OFZRYRNNMBXZRA-VIFPVBQESA-N 1 2 233.271 1.260 20 30 BDEDLO CCOC(=O)c1ccc(C[NH2+][C@H](C)CC#N)nc1 ZINC000602870535 349801873 /nfs/dbraw/zinc/80/18/73/349801873.db2.gz MSXSHCRJWMAFAD-SNVBAGLBSA-N 1 2 247.298 1.650 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000609030905 343261080 /nfs/dbraw/zinc/26/10/80/343261080.db2.gz OEZIRVGWHUEBMR-NSHDSACASA-N 1 2 245.326 1.780 20 30 BDEDLO NC(=[NH+]OCc1ccccc1)[C@H]1CCCO1 ZINC000283754045 136287038 /nfs/dbraw/zinc/28/70/38/136287038.db2.gz ADRCJGFPYFJFHP-LLVKDONJSA-N 1 2 220.272 1.654 20 30 BDEDLO N#CCC[NH2+]Cc1cnn2ccccc12 ZINC000070944271 343343223 /nfs/dbraw/zinc/34/32/23/343343223.db2.gz ACXBIJSWTMDJNC-UHFFFAOYSA-N 1 2 200.245 1.338 20 30 BDEDLO CCOC(=O)CCCCC[N@H+](C)CC#N ZINC000071297562 343347401 /nfs/dbraw/zinc/34/74/01/343347401.db2.gz FJLWAJIPYHDCMR-UHFFFAOYSA-N 1 2 212.293 1.565 20 30 BDEDLO CCOC(=O)CCCCC[N@@H+](C)CC#N ZINC000071297562 343347402 /nfs/dbraw/zinc/34/74/02/343347402.db2.gz FJLWAJIPYHDCMR-UHFFFAOYSA-N 1 2 212.293 1.565 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)CC(C)C)nn1 ZINC000641094332 362222351 /nfs/dbraw/zinc/22/23/51/362222351.db2.gz RTINIEFKRQZRNF-LBPRGKRZSA-N 1 2 234.347 1.998 20 30 BDEDLO O=C(NC1CC([NH+]2CCCCC2)C1)c1cn[nH]n1 ZINC000330102547 136361857 /nfs/dbraw/zinc/36/18/57/136361857.db2.gz IKMRYXOZLZOIIV-UHFFFAOYSA-N 1 2 249.318 1.126 20 30 BDEDLO O=C(NC1CC([NH+]2CCCCC2)C1)c1cnn[nH]1 ZINC000330102547 136361858 /nfs/dbraw/zinc/36/18/58/136361858.db2.gz IKMRYXOZLZOIIV-UHFFFAOYSA-N 1 2 249.318 1.126 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCOC1 ZINC000329632866 136368483 /nfs/dbraw/zinc/36/84/83/136368483.db2.gz WKEGQIVCHSHVDN-VHSXEESVSA-N 1 2 249.314 1.650 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCOC1 ZINC000329632866 136368484 /nfs/dbraw/zinc/36/84/84/136368484.db2.gz WKEGQIVCHSHVDN-VHSXEESVSA-N 1 2 249.314 1.650 20 30 BDEDLO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nn1 ZINC000602981876 349833094 /nfs/dbraw/zinc/83/30/94/349833094.db2.gz KPIQHZBMTVABQV-ZYHUDNBSSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nn1 ZINC000602981876 349833097 /nfs/dbraw/zinc/83/30/97/349833097.db2.gz KPIQHZBMTVABQV-ZYHUDNBSSA-N 1 2 246.314 1.609 20 30 BDEDLO CCCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974286 349838987 /nfs/dbraw/zinc/83/89/87/349838987.db2.gz MAVVMZCFJNVMNR-NWDGAFQWSA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974286 349838989 /nfs/dbraw/zinc/83/89/89/349838989.db2.gz MAVVMZCFJNVMNR-NWDGAFQWSA-N 1 2 237.347 1.527 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153604712 537805040 /nfs/dbraw/zinc/80/50/40/537805040.db2.gz YUMUVIGHNKDVLT-UWVGGRQHSA-N 1 2 219.288 1.136 20 30 BDEDLO C[N@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCC[C@H]1C#N ZINC000602977965 349841804 /nfs/dbraw/zinc/84/18/04/349841804.db2.gz JHRUXHQFDBFKSN-GXSJLCMTSA-N 1 2 248.282 1.469 20 30 BDEDLO C[N@@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCC[C@H]1C#N ZINC000602977965 349841807 /nfs/dbraw/zinc/84/18/07/349841807.db2.gz JHRUXHQFDBFKSN-GXSJLCMTSA-N 1 2 248.282 1.469 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980001 349844898 /nfs/dbraw/zinc/84/48/98/349844898.db2.gz KKQYODWKSXEJCT-GHMZBOCLSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980001 349844904 /nfs/dbraw/zinc/84/49/04/349844904.db2.gz KKQYODWKSXEJCT-GHMZBOCLSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@H+](Cc1ccnc(N)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980461 349845490 /nfs/dbraw/zinc/84/54/90/349845490.db2.gz QIESMORPVILAIW-NEPJUHHUSA-N 1 2 230.315 1.618 20 30 BDEDLO C[N@@H+](Cc1ccnc(N)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980461 349845492 /nfs/dbraw/zinc/84/54/92/349845492.db2.gz QIESMORPVILAIW-NEPJUHHUSA-N 1 2 230.315 1.618 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](CF)C2)c1 ZINC000334643148 343895648 /nfs/dbraw/zinc/89/56/48/343895648.db2.gz FHSAYQCRJIFCHD-ZDUSSCGKSA-N 1 2 234.274 1.729 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](CF)C2)c1 ZINC000334643148 343895649 /nfs/dbraw/zinc/89/56/49/343895649.db2.gz FHSAYQCRJIFCHD-ZDUSSCGKSA-N 1 2 234.274 1.729 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000157065041 343907115 /nfs/dbraw/zinc/90/71/15/343907115.db2.gz RDTGENOPPGSQOW-GHMZBOCLSA-N 1 2 223.320 1.279 20 30 BDEDLO N#C[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000180071637 347013008 /nfs/dbraw/zinc/01/30/08/347013008.db2.gz KPCRTYACRPDZIN-LBPRGKRZSA-N 1 2 242.282 1.059 20 30 BDEDLO C=CCSCCNc1cc[nH+]cc1F ZINC000603281494 349906207 /nfs/dbraw/zinc/90/62/07/349906207.db2.gz YRCNAINETNEQME-UHFFFAOYSA-N 1 2 212.293 1.974 20 30 BDEDLO COc1ccc(C[NH2+][C@@H](C)CC#N)cn1 ZINC000062070743 344333392 /nfs/dbraw/zinc/33/33/92/344333392.db2.gz UWPJDSBYYZCHTN-VIFPVBQESA-N 1 2 205.261 1.482 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000600615377 344336972 /nfs/dbraw/zinc/33/69/72/344336972.db2.gz OEEVYSUOECHKGB-GXSJLCMTSA-N 1 2 221.304 1.032 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)[C@H]1CCC[C@H]1C#N ZINC000600860401 344383712 /nfs/dbraw/zinc/38/37/12/344383712.db2.gz VUOOOTSEHGQIQB-ONGXEEELSA-N 1 2 204.277 1.534 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)[C@H]1CCC[C@H]1C#N ZINC000600860401 344383714 /nfs/dbraw/zinc/38/37/14/344383714.db2.gz VUOOOTSEHGQIQB-ONGXEEELSA-N 1 2 204.277 1.534 20 30 BDEDLO COc1cccc(C[NH2+]CC(C)(C)C#N)n1 ZINC000234887947 344436627 /nfs/dbraw/zinc/43/66/27/344436627.db2.gz XJZQAJMVXJAFKA-UHFFFAOYSA-N 1 2 219.288 1.730 20 30 BDEDLO COC1(CC[NH+]2CC(C)(C#N)C2)CCC1 ZINC000573739625 344508873 /nfs/dbraw/zinc/50/88/73/344508873.db2.gz AAFGHCYDSJCTDC-UHFFFAOYSA-N 1 2 208.305 1.791 20 30 BDEDLO C=CC[C@H](CO)CNc1cc(CO)cc[nH+]1 ZINC000641479457 362447062 /nfs/dbraw/zinc/44/70/62/362447062.db2.gz NYJJLTYDJOWGIF-NSHDSACASA-N 1 2 222.288 1.170 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819079 344751109 /nfs/dbraw/zinc/75/11/09/344751109.db2.gz FGEXNABUXGUPPV-ZDUSSCGKSA-N 1 2 237.347 1.087 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819079 344751112 /nfs/dbraw/zinc/75/11/12/344751112.db2.gz FGEXNABUXGUPPV-ZDUSSCGKSA-N 1 2 237.347 1.087 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152732112 344685060 /nfs/dbraw/zinc/68/50/60/344685060.db2.gz PZUYJKIAKAXMMX-QWRGUYRKSA-N 1 2 233.315 1.526 20 30 BDEDLO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC#N)CC2 ZINC000152765679 344688686 /nfs/dbraw/zinc/68/86/86/344688686.db2.gz MFWKCOUNSJPRBB-RYUDHWBXSA-N 1 2 238.331 1.152 20 30 BDEDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCC#N ZINC000076668210 344805208 /nfs/dbraw/zinc/80/52/08/344805208.db2.gz DJJSLRJKOLXUBV-VIFPVBQESA-N 1 2 249.339 1.307 20 30 BDEDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC#N ZINC000076668210 344805209 /nfs/dbraw/zinc/80/52/09/344805209.db2.gz DJJSLRJKOLXUBV-VIFPVBQESA-N 1 2 249.339 1.307 20 30 BDEDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCC#N ZINC000076668207 344805329 /nfs/dbraw/zinc/80/53/29/344805329.db2.gz DJJSLRJKOLXUBV-SECBINFHSA-N 1 2 249.339 1.307 20 30 BDEDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC#N ZINC000076668207 344805331 /nfs/dbraw/zinc/80/53/31/344805331.db2.gz DJJSLRJKOLXUBV-SECBINFHSA-N 1 2 249.339 1.307 20 30 BDEDLO N#CC1(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000172106561 344913290 /nfs/dbraw/zinc/91/32/90/344913290.db2.gz QKOAFZRDSYYELO-UHFFFAOYSA-N 1 2 226.239 1.120 20 30 BDEDLO CCCc1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000121314500 344920406 /nfs/dbraw/zinc/92/04/06/344920406.db2.gz JBJNQEDOADCYDV-UHFFFAOYSA-N 1 2 236.315 1.810 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000491731754 323082471 /nfs/dbraw/zinc/08/24/71/323082471.db2.gz MPNJFFVUYFFZJB-VIFPVBQESA-N 1 2 219.288 1.198 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000491731754 323082472 /nfs/dbraw/zinc/08/24/72/323082472.db2.gz MPNJFFVUYFFZJB-VIFPVBQESA-N 1 2 219.288 1.198 20 30 BDEDLO Cc1cc(N[C@H]2CCC[C@H]2CCO)c(C#N)c[nH+]1 ZINC000425243383 192085071 /nfs/dbraw/zinc/08/50/71/192085071.db2.gz QHMQXRFRJTXIQX-AAEUAGOBSA-N 1 2 245.326 1.647 20 30 BDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCCCO ZINC000127401311 345179355 /nfs/dbraw/zinc/17/93/55/345179355.db2.gz QWZHAZYLGJUXCV-UHFFFAOYSA-N 1 2 242.706 1.554 20 30 BDEDLO C=CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635070528 345239380 /nfs/dbraw/zinc/23/93/80/345239380.db2.gz UOHMPTSYZKIEST-QMMMGPOBSA-N 1 2 247.220 1.679 20 30 BDEDLO C#C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)C ZINC000282178308 166212538 /nfs/dbraw/zinc/21/25/38/166212538.db2.gz RRKLIPFADFTGBT-LLVKDONJSA-N 1 2 219.288 1.047 20 30 BDEDLO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC#N)C1 ZINC000080898198 345453535 /nfs/dbraw/zinc/45/35/35/345453535.db2.gz FBEPNPKPYNMXFN-JQWIXIFHSA-N 1 2 210.321 1.677 20 30 BDEDLO Cc1ccc(C[N@H+](CCO)CCC#N)cc1 ZINC000081640209 345488650 /nfs/dbraw/zinc/48/86/50/345488650.db2.gz VZORFVMNPROXGI-UHFFFAOYSA-N 1 2 218.300 1.703 20 30 BDEDLO Cc1ccc(C[N@@H+](CCO)CCC#N)cc1 ZINC000081640209 345488652 /nfs/dbraw/zinc/48/86/52/345488652.db2.gz VZORFVMNPROXGI-UHFFFAOYSA-N 1 2 218.300 1.703 20 30 BDEDLO CC#CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635778082 346062984 /nfs/dbraw/zinc/06/29/84/346062984.db2.gz JDMJRULMDLUUSQ-ZDUSSCGKSA-N 1 2 247.342 2.000 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)CCn1cc[nH+]c1 ZINC000268035142 535034187 /nfs/dbraw/zinc/03/41/87/535034187.db2.gz WJORLEDALNJBBW-SNVBAGLBSA-N 1 2 234.303 1.328 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1CCCC ZINC000679217494 488317372 /nfs/dbraw/zinc/31/73/72/488317372.db2.gz GCVVFCHXALUETF-UHFFFAOYSA-N 1 2 223.324 1.481 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnnn1CCCC ZINC000679217494 488317374 /nfs/dbraw/zinc/31/73/74/488317374.db2.gz GCVVFCHXALUETF-UHFFFAOYSA-N 1 2 223.324 1.481 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cnccn1 ZINC000070025806 349964330 /nfs/dbraw/zinc/96/43/30/349964330.db2.gz FJMQDTFIURTQKP-UWVGGRQHSA-N 1 2 204.277 1.819 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cnccn1 ZINC000070025813 349964564 /nfs/dbraw/zinc/96/45/64/349964564.db2.gz FJMQDTFIURTQKP-NXEZZACHSA-N 1 2 204.277 1.819 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)ccn1 ZINC000587878099 346597593 /nfs/dbraw/zinc/59/75/93/346597593.db2.gz ZHVNZTAUSFVNSJ-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNc1cc(C#N)ccn1 ZINC000587878099 346597595 /nfs/dbraw/zinc/59/75/95/346597595.db2.gz ZHVNZTAUSFVNSJ-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C(=O)CCCCCC#N ZINC000588281064 346659627 /nfs/dbraw/zinc/65/96/27/346659627.db2.gz IYAJNHHUBYMERS-UHFFFAOYSA-N 1 2 248.330 1.853 20 30 BDEDLO COC(C)(C)C[N@H+](C)Cc1nc(C#N)cs1 ZINC000589505723 346710268 /nfs/dbraw/zinc/71/02/68/346710268.db2.gz NWZVXZCVHCOOCB-UHFFFAOYSA-N 1 2 239.344 1.872 20 30 BDEDLO COC(C)(C)C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000589505723 346710270 /nfs/dbraw/zinc/71/02/70/346710270.db2.gz NWZVXZCVHCOOCB-UHFFFAOYSA-N 1 2 239.344 1.872 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)CC1(C#N)CC1 ZINC000590196070 346789413 /nfs/dbraw/zinc/78/94/13/346789413.db2.gz GXXQRLBWIFEXQP-UHFFFAOYSA-N 1 2 231.255 1.723 20 30 BDEDLO C[C@@H](C#N)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364045941 347246516 /nfs/dbraw/zinc/24/65/16/347246516.db2.gz OORUCIBGHRXNPY-WCQYABFASA-N 1 2 215.300 1.858 20 30 BDEDLO C[C@@H](C#N)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364045941 347246519 /nfs/dbraw/zinc/24/65/19/347246519.db2.gz OORUCIBGHRXNPY-WCQYABFASA-N 1 2 215.300 1.858 20 30 BDEDLO C=CCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000364589562 347462749 /nfs/dbraw/zinc/46/27/49/347462749.db2.gz FBTLFJZSGQXYEO-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=CCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000364589562 347462754 /nfs/dbraw/zinc/46/27/54/347462754.db2.gz FBTLFJZSGQXYEO-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756424 347465852 /nfs/dbraw/zinc/46/58/52/347465852.db2.gz RWVFROVOTQNGQE-SFYZADRCSA-N 1 2 222.210 1.288 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756424 347465854 /nfs/dbraw/zinc/46/58/54/347465854.db2.gz RWVFROVOTQNGQE-SFYZADRCSA-N 1 2 222.210 1.288 20 30 BDEDLO C=CCOCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000380102920 365880732 /nfs/dbraw/zinc/88/07/32/365880732.db2.gz MKIGPANLFQKKGU-QMMMGPOBSA-N 1 2 211.265 1.231 20 30 BDEDLO CC(C)[N@H+](CCO)Cc1nc(C#N)cs1 ZINC000356054023 187376261 /nfs/dbraw/zinc/37/62/61/187376261.db2.gz JSKWBWLXIOHLLA-UHFFFAOYSA-N 1 2 225.317 1.217 20 30 BDEDLO CC(C)[N@@H+](CCO)Cc1nc(C#N)cs1 ZINC000356054023 187376263 /nfs/dbraw/zinc/37/62/63/187376263.db2.gz JSKWBWLXIOHLLA-UHFFFAOYSA-N 1 2 225.317 1.217 20 30 BDEDLO C=CCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000006490472 166266047 /nfs/dbraw/zinc/26/60/47/166266047.db2.gz CWOFLFDWTNTRKY-ZDUSSCGKSA-N 1 2 233.311 1.936 20 30 BDEDLO C=C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(=O)OC ZINC000591375020 347649561 /nfs/dbraw/zinc/64/95/61/347649561.db2.gz SKORJJILWIEINM-GARJFASQSA-N 1 2 222.288 1.386 20 30 BDEDLO Cc1ccc2c(c1)[C@@H]([NH2+]CCC#N)CO2 ZINC000591754123 347690739 /nfs/dbraw/zinc/69/07/39/347690739.db2.gz CHGWJIUYNVJLQD-NSHDSACASA-N 1 2 202.257 1.932 20 30 BDEDLO Cc1cc(N(C)C[C@H](O)C2CC2)c(C#N)c[nH+]1 ZINC000591821034 347701120 /nfs/dbraw/zinc/70/11/20/347701120.db2.gz GDACVPUWPKIPLP-ZDUSSCGKSA-N 1 2 231.299 1.469 20 30 BDEDLO C[C@H](O)[C@H]([NH2+]CCC#N)c1ccccc1F ZINC000592431189 347777881 /nfs/dbraw/zinc/77/78/81/347777881.db2.gz WOXWGXFVSBNNHW-CABZTGNLSA-N 1 2 222.263 1.751 20 30 BDEDLO Cc1cc(N2CC[C@@](O)(CC#N)C2)c(C#N)c[nH+]1 ZINC000591976490 347723776 /nfs/dbraw/zinc/72/37/76/347723776.db2.gz XVQYOHAGCDNFAS-ZDUSSCGKSA-N 1 2 242.282 1.117 20 30 BDEDLO CCOC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592062637 347726136 /nfs/dbraw/zinc/72/61/36/347726136.db2.gz BHENPWBZBMPIMA-UHFFFAOYSA-N 1 2 245.326 1.954 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1(COC)CC1)C(=O)OC ZINC000592445461 347779686 /nfs/dbraw/zinc/77/96/86/347779686.db2.gz PBHIYCHVFSNJJQ-SNVBAGLBSA-N 1 2 227.304 1.120 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)CC1(CO)CC1 ZINC000592116100 347736230 /nfs/dbraw/zinc/73/62/30/347736230.db2.gz LUPWPZJEVZFTAQ-UHFFFAOYSA-N 1 2 231.299 1.158 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)CC1(CO)CC1 ZINC000592116100 347736232 /nfs/dbraw/zinc/73/62/32/347736232.db2.gz LUPWPZJEVZFTAQ-UHFFFAOYSA-N 1 2 231.299 1.158 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000592151931 347742977 /nfs/dbraw/zinc/74/29/77/347742977.db2.gz RWZYOMIPJSIDCS-CYBMUJFWSA-N 1 2 247.298 1.402 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000592151931 347742980 /nfs/dbraw/zinc/74/29/80/347742980.db2.gz RWZYOMIPJSIDCS-CYBMUJFWSA-N 1 2 247.298 1.402 20 30 BDEDLO Cc1cncc(CC[N@@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000593022198 347846078 /nfs/dbraw/zinc/84/60/78/347846078.db2.gz DFKDWTSPVJRLLH-AWEZNQCLSA-N 1 2 244.342 1.953 20 30 BDEDLO Cc1cncc(CC[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000593022198 347846081 /nfs/dbraw/zinc/84/60/81/347846081.db2.gz DFKDWTSPVJRLLH-AWEZNQCLSA-N 1 2 244.342 1.953 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCC1CC1 ZINC000593153020 347865968 /nfs/dbraw/zinc/86/59/68/347865968.db2.gz DORXBPBDHLQPLX-ZDUSSCGKSA-N 1 2 237.347 1.527 20 30 BDEDLO CC(C)Oc1cc[nH+]c(Cn2cnc(C#N)n2)c1 ZINC000593420338 347894435 /nfs/dbraw/zinc/89/44/35/347894435.db2.gz HHXWVAJYVPPIGB-UHFFFAOYSA-N 1 2 243.270 1.380 20 30 BDEDLO C[C@@H](CC(=O)NCC1(C#N)CC1)n1cc[nH+]c1 ZINC000593677720 347931645 /nfs/dbraw/zinc/93/16/45/347931645.db2.gz DEPCSKVWUBEANX-JTQLQIEISA-N 1 2 232.287 1.254 20 30 BDEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](COC)C(=O)OC)C1 ZINC000593625954 347917197 /nfs/dbraw/zinc/91/71/97/347917197.db2.gz QXIQHIOTVFLRFK-UTUOFQBUSA-N 1 2 241.331 1.509 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000577409322 365948036 /nfs/dbraw/zinc/94/80/36/365948036.db2.gz UZXRUPKHINGDOX-KOLCDFICSA-N 1 2 248.330 1.643 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000577409322 365948038 /nfs/dbraw/zinc/94/80/38/365948038.db2.gz UZXRUPKHINGDOX-KOLCDFICSA-N 1 2 248.330 1.643 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000593747453 347941700 /nfs/dbraw/zinc/94/17/00/347941700.db2.gz NQOMKVIDMAKMPG-LBPRGKRZSA-N 1 2 231.299 1.864 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000594285854 348029930 /nfs/dbraw/zinc/02/99/30/348029930.db2.gz MHISSXLWEROCJN-NSHDSACASA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594285023 348029951 /nfs/dbraw/zinc/02/99/51/348029951.db2.gz GMAQZADLLMCQSG-WDEREUQCSA-N 1 2 248.330 1.643 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594285023 348029952 /nfs/dbraw/zinc/02/99/52/348029952.db2.gz GMAQZADLLMCQSG-WDEREUQCSA-N 1 2 248.330 1.643 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)CCCCCC#N ZINC000594366651 348042977 /nfs/dbraw/zinc/04/29/77/348042977.db2.gz JXRRNENBKJPZKN-UHFFFAOYSA-N 1 2 248.330 1.993 20 30 BDEDLO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000594711774 348104361 /nfs/dbraw/zinc/10/43/61/348104361.db2.gz QRLBVFOPZFBZIE-CYBMUJFWSA-N 1 2 246.310 1.642 20 30 BDEDLO Cn1ccnc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981095 348163936 /nfs/dbraw/zinc/16/39/36/348163936.db2.gz GLCPQUZKLLBMAL-UHFFFAOYSA-N 1 2 232.331 1.984 20 30 BDEDLO Cn1cc[nH+]c1CNCC1(C#N)CCCCC1 ZINC000594981095 348163939 /nfs/dbraw/zinc/16/39/39/348163939.db2.gz GLCPQUZKLLBMAL-UHFFFAOYSA-N 1 2 232.331 1.984 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000192232674 323178759 /nfs/dbraw/zinc/17/87/59/323178759.db2.gz HDDQZUZQGCKPEW-UHFFFAOYSA-N 1 2 230.311 1.605 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000192232674 323178760 /nfs/dbraw/zinc/17/87/60/323178760.db2.gz HDDQZUZQGCKPEW-UHFFFAOYSA-N 1 2 230.311 1.605 20 30 BDEDLO COCc1n[nH]c(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000595069403 348188225 /nfs/dbraw/zinc/18/82/25/348188225.db2.gz RZIRGALDLQPGPZ-UWVGGRQHSA-N 1 2 249.318 1.123 20 30 BDEDLO COCc1nnc(C[NH2+][C@H]2CCC[C@H](C#N)C2)[nH]1 ZINC000595069403 348188227 /nfs/dbraw/zinc/18/82/27/348188227.db2.gz RZIRGALDLQPGPZ-UWVGGRQHSA-N 1 2 249.318 1.123 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c(F)c1 ZINC000174526788 187390165 /nfs/dbraw/zinc/39/01/65/187390165.db2.gz LYEXGYCOIINZOJ-UHFFFAOYSA-N 1 2 231.270 1.903 20 30 BDEDLO N#CCCN1CC[NH+](Cc2cncs2)CC1 ZINC000595391096 348244014 /nfs/dbraw/zinc/24/40/14/348244014.db2.gz DQDPGZWFNYCMFV-UHFFFAOYSA-N 1 2 236.344 1.174 20 30 BDEDLO CCc1nnc([C@@H](C)[NH2+][C@H](CC)CC#N)[nH]1 ZINC000595530487 348272989 /nfs/dbraw/zinc/27/29/89/348272989.db2.gz QROOMGMOAFYTBP-RKDXNWHRSA-N 1 2 221.308 1.710 20 30 BDEDLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595622382 348291316 /nfs/dbraw/zinc/29/13/16/348291316.db2.gz AAXJJGVLFPKBJH-MWLCHTKSSA-N 1 2 233.319 1.800 20 30 BDEDLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595622382 348291317 /nfs/dbraw/zinc/29/13/17/348291317.db2.gz AAXJJGVLFPKBJH-MWLCHTKSSA-N 1 2 233.319 1.800 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC000595709035 348320076 /nfs/dbraw/zinc/32/00/76/348320076.db2.gz BRXICPRPUWRXSW-MNOVXSKESA-N 1 2 235.331 1.279 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC000595709035 348320079 /nfs/dbraw/zinc/32/00/79/348320079.db2.gz BRXICPRPUWRXSW-MNOVXSKESA-N 1 2 235.331 1.279 20 30 BDEDLO COc1cc[nH+]c(CN([C@@H](C)C#N)C2CC2)c1 ZINC000595714249 348325275 /nfs/dbraw/zinc/32/52/75/348325275.db2.gz QLPWFTGRVAXROJ-JTQLQIEISA-N 1 2 231.299 1.967 20 30 BDEDLO C=CCOCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595774323 348338217 /nfs/dbraw/zinc/33/82/17/348338217.db2.gz HMSIGQGSPHHSPK-NSHDSACASA-N 1 2 233.283 1.070 20 30 BDEDLO CC[N@H+](CCCSCC#N)[C@@H](C)C#N ZINC000595814602 348342859 /nfs/dbraw/zinc/34/28/59/348342859.db2.gz WLURQUUHDCPBAF-JTQLQIEISA-N 1 2 211.334 1.867 20 30 BDEDLO CC[N@@H+](CCCSCC#N)[C@@H](C)C#N ZINC000595814602 348342861 /nfs/dbraw/zinc/34/28/61/348342861.db2.gz WLURQUUHDCPBAF-JTQLQIEISA-N 1 2 211.334 1.867 20 30 BDEDLO CCN(C)C(=O)CC[N@H+](CC)[C@@H](C)C#N ZINC000595814687 348342964 /nfs/dbraw/zinc/34/29/64/348342964.db2.gz XHHODCZEPJLQRD-JTQLQIEISA-N 1 2 211.309 1.089 20 30 BDEDLO CCN(C)C(=O)CC[N@@H+](CC)[C@@H](C)C#N ZINC000595814687 348342965 /nfs/dbraw/zinc/34/29/65/348342965.db2.gz XHHODCZEPJLQRD-JTQLQIEISA-N 1 2 211.309 1.089 20 30 BDEDLO CC[N@H+](C[C@@H]1CCNC(=O)CC1)[C@@H](C)C#N ZINC000595816104 348343703 /nfs/dbraw/zinc/34/37/03/348343703.db2.gz DSSKGUIGXFOKMZ-QWRGUYRKSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H](C)C#N ZINC000595816104 348343706 /nfs/dbraw/zinc/34/37/06/348343706.db2.gz DSSKGUIGXFOKMZ-QWRGUYRKSA-N 1 2 223.320 1.137 20 30 BDEDLO CCOC(=O)CCC[N@H+](CC)[C@H](C)C#N ZINC000595812677 348352423 /nfs/dbraw/zinc/35/24/23/348352423.db2.gz HSTWWOQVYMIQDE-SNVBAGLBSA-N 1 2 212.293 1.564 20 30 BDEDLO CCOC(=O)CCC[N@@H+](CC)[C@H](C)C#N ZINC000595812677 348352424 /nfs/dbraw/zinc/35/24/24/348352424.db2.gz HSTWWOQVYMIQDE-SNVBAGLBSA-N 1 2 212.293 1.564 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000595835926 348369761 /nfs/dbraw/zinc/36/97/61/348369761.db2.gz VNKFITZGCWVCMF-CYBMUJFWSA-N 1 2 235.331 1.234 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000595835926 348369763 /nfs/dbraw/zinc/36/97/63/348369763.db2.gz VNKFITZGCWVCMF-CYBMUJFWSA-N 1 2 235.331 1.234 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835956 348370082 /nfs/dbraw/zinc/37/00/82/348370082.db2.gz TWEYTUUEMMXQPC-AWEZNQCLSA-N 1 2 247.342 1.423 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835956 348370084 /nfs/dbraw/zinc/37/00/84/348370084.db2.gz TWEYTUUEMMXQPC-AWEZNQCLSA-N 1 2 247.342 1.423 20 30 BDEDLO COc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595840672 348374649 /nfs/dbraw/zinc/37/46/49/348374649.db2.gz RROOPTWXFIUSAK-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595840672 348374652 /nfs/dbraw/zinc/37/46/52/348374652.db2.gz RROOPTWXFIUSAK-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841726 348376859 /nfs/dbraw/zinc/37/68/59/348376859.db2.gz WXYDKRNTWOIPOJ-YPMHNXCESA-N 1 2 238.331 1.954 20 30 BDEDLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841726 348376860 /nfs/dbraw/zinc/37/68/60/348376860.db2.gz WXYDKRNTWOIPOJ-YPMHNXCESA-N 1 2 238.331 1.954 20 30 BDEDLO CC[N@H+](CC1(C(=O)OC)CC1)[C@H](C)C#N ZINC000595819468 348359647 /nfs/dbraw/zinc/35/96/47/348359647.db2.gz BBEMERLYGWRVGB-SECBINFHSA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@@H+](CC1(C(=O)OC)CC1)[C@H](C)C#N ZINC000595819468 348359649 /nfs/dbraw/zinc/35/96/49/348359649.db2.gz BBEMERLYGWRVGB-SECBINFHSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)[C@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000419362975 192128249 /nfs/dbraw/zinc/12/82/49/192128249.db2.gz YLTWSMBMQIKOAQ-SNVBAGLBSA-N 1 2 224.304 1.467 20 30 BDEDLO CC1CC(C#N)(C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000396932714 349998716 /nfs/dbraw/zinc/99/87/16/349998716.db2.gz PZNPXYYRFYXJGS-UHFFFAOYSA-N 1 2 244.298 1.234 20 30 BDEDLO CC1CC(C#N)(C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000396932714 349998718 /nfs/dbraw/zinc/99/87/18/349998718.db2.gz PZNPXYYRFYXJGS-UHFFFAOYSA-N 1 2 244.298 1.234 20 30 BDEDLO C[C@@H]1C[C@H](Nc2cc(C#N)cnn2)c2[nH+]ccn21 ZINC000596257134 348476751 /nfs/dbraw/zinc/47/67/51/348476751.db2.gz MAONVTMDGCJKHN-SCZZXKLOSA-N 1 2 240.270 1.085 20 30 BDEDLO Cc1ccc(C#N)nc1NCCc1cn(C)c[nH+]1 ZINC000596263829 348479302 /nfs/dbraw/zinc/47/93/02/348479302.db2.gz GVCJIVSQKAOVLC-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)c(C#N)cn1 ZINC000596237154 348482785 /nfs/dbraw/zinc/48/27/85/348482785.db2.gz QSDKLUGYRRBFIE-UHFFFAOYSA-N 1 2 239.282 1.548 20 30 BDEDLO C[C@H](Nc1ccncc1C#N)c1[nH+]ccn1C ZINC000596542208 348583525 /nfs/dbraw/zinc/58/35/25/348583525.db2.gz KXDHPBOPBCJFKZ-VIFPVBQESA-N 1 2 227.271 1.282 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000597082430 348658696 /nfs/dbraw/zinc/65/86/96/348658696.db2.gz JSQKLYSDDFLWGQ-ZETCQYMHSA-N 1 2 246.236 1.688 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000597134946 348660634 /nfs/dbraw/zinc/66/06/34/348660634.db2.gz MGHLKHLGJKTUEN-VXGBXAGGSA-N 1 2 246.314 1.596 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000597115505 348663074 /nfs/dbraw/zinc/66/30/74/348663074.db2.gz KLQNTAZFKUFMQA-MNOVXSKESA-N 1 2 246.314 1.665 20 30 BDEDLO C[C@@H](CC#N)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000596795963 348622841 /nfs/dbraw/zinc/62/28/41/348622841.db2.gz GLYPFFZOAQBGRU-JTQLQIEISA-N 1 2 246.314 1.314 20 30 BDEDLO C[C@H](CC#N)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000596795964 348623118 /nfs/dbraw/zinc/62/31/18/348623118.db2.gz GLYPFFZOAQBGRU-SNVBAGLBSA-N 1 2 246.314 1.314 20 30 BDEDLO C=C(C)[C@H](CC(=O)NC1=[NH+]CCS1)OCC ZINC000270105220 187399602 /nfs/dbraw/zinc/39/96/02/187399602.db2.gz HPTFGUUNXHXDGV-VIFPVBQESA-N 1 2 242.344 1.577 20 30 BDEDLO C[C@@H](CC#N)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000597359442 348722284 /nfs/dbraw/zinc/72/22/84/348722284.db2.gz BKKUQQSEUNBELN-JTQLQIEISA-N 1 2 246.314 1.660 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000597178473 348680495 /nfs/dbraw/zinc/68/04/95/348680495.db2.gz XWZBDSIIHAQWFX-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000597178473 348680498 /nfs/dbraw/zinc/68/04/98/348680498.db2.gz XWZBDSIIHAQWFX-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO COCCC1C[NH+](Cc2nc(C#N)cs2)C1 ZINC000597184002 348683064 /nfs/dbraw/zinc/68/30/64/348683064.db2.gz PZQWSLTXVOZEKN-UHFFFAOYSA-N 1 2 237.328 1.483 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000597229558 348698047 /nfs/dbraw/zinc/69/80/47/348698047.db2.gz MJAYGZCLTCKDBB-LBPRGKRZSA-N 1 2 249.339 1.583 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000597229558 348698049 /nfs/dbraw/zinc/69/80/49/348698049.db2.gz MJAYGZCLTCKDBB-LBPRGKRZSA-N 1 2 249.339 1.583 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)CC#N ZINC000597692152 348780563 /nfs/dbraw/zinc/78/05/63/348780563.db2.gz LCEQYGPDNNBQBU-VIFPVBQESA-N 1 2 233.271 1.256 20 30 BDEDLO Cc1cc(C)c(CNC(=O)[C@@H](C)CC#N)c[nH+]1 ZINC000597751137 348814171 /nfs/dbraw/zinc/81/41/71/348814171.db2.gz RSBLPDUNUIDPTE-VIFPVBQESA-N 1 2 231.299 1.864 20 30 BDEDLO C[C@@H](C#N)N(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000598136715 348904193 /nfs/dbraw/zinc/90/41/93/348904193.db2.gz JEEJCVASGQNPCD-QWRGUYRKSA-N 1 2 246.314 1.737 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000598418498 348972841 /nfs/dbraw/zinc/97/28/41/348972841.db2.gz SZFJGXIXNBVKGH-LBPRGKRZSA-N 1 2 232.287 1.023 20 30 BDEDLO N#CCC[NH2+]CC(=O)Nc1ccccc1 ZINC000308891650 349026152 /nfs/dbraw/zinc/02/61/52/349026152.db2.gz XBTVIXAQSLDCMS-UHFFFAOYSA-N 1 2 203.245 1.128 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C(=O)OC ZINC000598730830 349032495 /nfs/dbraw/zinc/03/24/95/349032495.db2.gz CXHVTWWWFHMIKQ-HTQZYQBOSA-N 1 2 219.231 1.349 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C#N)CCC1 ZINC000598739284 349036083 /nfs/dbraw/zinc/03/60/83/349036083.db2.gz XFVSBWFKTYLHPX-SNVBAGLBSA-N 1 2 246.314 1.774 20 30 BDEDLO C#CC[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271360720 192383410 /nfs/dbraw/zinc/38/34/10/192383410.db2.gz PUCXNJBMNJCPBK-UHFFFAOYSA-N 1 2 229.279 1.465 20 30 BDEDLO C#CC[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271360720 192383413 /nfs/dbraw/zinc/38/34/13/192383413.db2.gz PUCXNJBMNJCPBK-UHFFFAOYSA-N 1 2 229.279 1.465 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2cocn2)c1 ZINC000308913784 349066325 /nfs/dbraw/zinc/06/63/25/349066325.db2.gz GMITTYGBGSIWAG-UHFFFAOYSA-N 1 2 219.269 1.898 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000308946631 349179232 /nfs/dbraw/zinc/17/92/32/349179232.db2.gz SMCURXALQVEAEL-UHFFFAOYSA-N 1 2 206.245 1.165 20 30 BDEDLO C=C[C@H]([NH2+]CC1CC(F)(F)C1)C(=O)OC ZINC000308954921 349202530 /nfs/dbraw/zinc/20/25/30/349202530.db2.gz QGLIYGJIWQIAED-QMMMGPOBSA-N 1 2 219.231 1.349 20 30 BDEDLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[C@@H]1C#N ZINC000601823817 349354514 /nfs/dbraw/zinc/35/45/14/349354514.db2.gz XKPZUFUCFMQMSQ-PWSUYJOCSA-N 1 2 246.314 1.493 20 30 BDEDLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[C@@H]1C#N ZINC000601823817 349354517 /nfs/dbraw/zinc/35/45/17/349354517.db2.gz XKPZUFUCFMQMSQ-PWSUYJOCSA-N 1 2 246.314 1.493 20 30 BDEDLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H]1C#N ZINC000601823819 349354543 /nfs/dbraw/zinc/35/45/43/349354543.db2.gz XKPZUFUCFMQMSQ-ZYHUDNBSSA-N 1 2 246.314 1.493 20 30 BDEDLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H]1C#N ZINC000601823819 349354546 /nfs/dbraw/zinc/35/45/46/349354546.db2.gz XKPZUFUCFMQMSQ-ZYHUDNBSSA-N 1 2 246.314 1.493 20 30 BDEDLO C=CCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637102446 350198971 /nfs/dbraw/zinc/19/89/71/350198971.db2.gz OIOPAJUNNDPDLC-SNVBAGLBSA-N 1 2 234.303 1.073 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000220925261 350190539 /nfs/dbraw/zinc/19/05/39/350190539.db2.gz JTFUQVVDHRDHCE-WCQYABFASA-N 1 2 218.300 1.954 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000220925261 350190542 /nfs/dbraw/zinc/19/05/42/350190542.db2.gz JTFUQVVDHRDHCE-WCQYABFASA-N 1 2 218.300 1.954 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220919195 350190574 /nfs/dbraw/zinc/19/05/74/350190574.db2.gz GRGADULEGRWLEF-SMDDNHRTSA-N 1 2 243.310 1.826 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220919195 350190576 /nfs/dbraw/zinc/19/05/76/350190576.db2.gz GRGADULEGRWLEF-SMDDNHRTSA-N 1 2 243.310 1.826 20 30 BDEDLO C=CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581119 350373958 /nfs/dbraw/zinc/37/39/58/350373958.db2.gz RARIIARTBSJHQV-UHFFFAOYSA-N 1 2 216.244 1.642 20 30 BDEDLO C=C[C@H]([NH2+]CC(C)(C)COCC)C(=O)OC ZINC000309486717 350576310 /nfs/dbraw/zinc/57/63/10/350576310.db2.gz XFILIPNSYAOCPU-JTQLQIEISA-N 1 2 229.320 1.366 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000339757776 350817626 /nfs/dbraw/zinc/81/76/26/350817626.db2.gz VMGZOUQCVFRDKA-CHWSQXEVSA-N 1 2 236.359 1.731 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000339757776 350817628 /nfs/dbraw/zinc/81/76/28/350817628.db2.gz VMGZOUQCVFRDKA-CHWSQXEVSA-N 1 2 236.359 1.731 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000339754236 350818513 /nfs/dbraw/zinc/81/85/13/350818513.db2.gz NZARNHNEPHDLLT-CYBMUJFWSA-N 1 2 238.375 1.835 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000339754236 350818515 /nfs/dbraw/zinc/81/85/15/350818515.db2.gz NZARNHNEPHDLLT-CYBMUJFWSA-N 1 2 238.375 1.835 20 30 BDEDLO N#CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000397741806 350969818 /nfs/dbraw/zinc/96/98/18/350969818.db2.gz ZHXUZHSBWLOGOQ-GFCCVEGCSA-N 1 2 246.314 1.425 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397595488 350950655 /nfs/dbraw/zinc/95/06/55/350950655.db2.gz DIFPHUVVFLHHSP-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397595488 350950659 /nfs/dbraw/zinc/95/06/59/350950659.db2.gz DIFPHUVVFLHHSP-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO C[C@H]([NH2+]CC1(CC#N)CC1)c1csnn1 ZINC000398333380 351036881 /nfs/dbraw/zinc/03/68/81/351036881.db2.gz OFJQUNUXEISVTI-QMMMGPOBSA-N 1 2 222.317 1.883 20 30 BDEDLO CC[C@H](NC(=O)[C@@H](C)C#N)c1[nH]cc[nH+]1 ZINC000139661792 351159918 /nfs/dbraw/zinc/15/99/18/351159918.db2.gz HCIUVEVRCXZVRY-YUMQZZPRSA-N 1 2 206.249 1.137 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(OC)cn1 ZINC000271844844 351440488 /nfs/dbraw/zinc/44/04/88/351440488.db2.gz UMBGGIQYLVOJNU-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)cn1 ZINC000271844844 351440491 /nfs/dbraw/zinc/44/04/91/351440491.db2.gz UMBGGIQYLVOJNU-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)nc1 ZINC000271926341 351445013 /nfs/dbraw/zinc/44/50/13/351445013.db2.gz LJDYAOGWMPTNPZ-JTQLQIEISA-N 1 2 219.288 1.682 20 30 BDEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)nc1 ZINC000271926341 351445020 /nfs/dbraw/zinc/44/50/20/351445020.db2.gz LJDYAOGWMPTNPZ-JTQLQIEISA-N 1 2 219.288 1.682 20 30 BDEDLO Cc1cc(C#N)nc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000231940408 351475247 /nfs/dbraw/zinc/47/52/47/351475247.db2.gz NPMGBCCNXKFTJZ-MRVPVSSYSA-N 1 2 228.259 1.553 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000272573492 351486815 /nfs/dbraw/zinc/48/68/15/351486815.db2.gz WMUNINSOZPTTQY-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)CC(C)(C)C#N ZINC000278206207 351750445 /nfs/dbraw/zinc/75/04/45/351750445.db2.gz GFXKASQUBXKOMC-UHFFFAOYSA-N 1 2 233.271 1.969 20 30 BDEDLO CC[C@](C)(C#N)C(=O)Nc1c[nH+]ccc1OC ZINC000285955063 352067685 /nfs/dbraw/zinc/06/76/85/352067685.db2.gz KHRSDKMGXUSQJM-GFCCVEGCSA-N 1 2 233.271 1.969 20 30 BDEDLO Oc1ccccc1/C=[NH+]/CCC1(O)CCOCC1 ZINC000285216251 352029163 /nfs/dbraw/zinc/02/91/63/352029163.db2.gz FHSZTHZXDFPJIN-RVDMUPIBSA-N 1 2 249.310 1.743 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NCCNc1cccc[nH+]1 ZINC000287134502 352114551 /nfs/dbraw/zinc/11/45/51/352114551.db2.gz PGZGEZHEGKGNSV-ZDUSSCGKSA-N 1 2 246.314 1.550 20 30 BDEDLO C#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC000288590487 352156949 /nfs/dbraw/zinc/15/69/49/352156949.db2.gz LMAGSKKAYRSLEN-NSHDSACASA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC000288590487 352156953 /nfs/dbraw/zinc/15/69/53/352156953.db2.gz LMAGSKKAYRSLEN-NSHDSACASA-N 1 2 233.315 1.506 20 30 BDEDLO COc1cc[nH+]cc1COC(=O)C(C)(C)C#N ZINC000288833393 352166645 /nfs/dbraw/zinc/16/66/45/352166645.db2.gz VXHMGSUDHBCHSU-UHFFFAOYSA-N 1 2 234.255 1.683 20 30 BDEDLO N#CCCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000366667288 352195958 /nfs/dbraw/zinc/19/59/58/352195958.db2.gz VEHPSWKIKDCRHB-VIFPVBQESA-N 1 2 206.249 1.510 20 30 BDEDLO N#CCCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000366667288 352195962 /nfs/dbraw/zinc/19/59/62/352195962.db2.gz VEHPSWKIKDCRHB-VIFPVBQESA-N 1 2 206.249 1.510 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000290316545 352220728 /nfs/dbraw/zinc/22/07/28/352220728.db2.gz BDMZLUDUSDJIAC-SECBINFHSA-N 1 2 229.287 1.692 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000290316545 352220730 /nfs/dbraw/zinc/22/07/30/352220730.db2.gz BDMZLUDUSDJIAC-SECBINFHSA-N 1 2 229.287 1.692 20 30 BDEDLO N#CCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290847809 352245489 /nfs/dbraw/zinc/24/54/89/352245489.db2.gz ZGPKPKLLTCAYFW-UHFFFAOYSA-N 1 2 243.270 1.760 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CC(F)(F)F ZINC000292210565 352308022 /nfs/dbraw/zinc/30/80/22/352308022.db2.gz OJKYKORODVXCSZ-SECBINFHSA-N 1 2 236.237 1.701 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](O)CC(F)(F)F ZINC000292210565 352308026 /nfs/dbraw/zinc/30/80/26/352308026.db2.gz OJKYKORODVXCSZ-SECBINFHSA-N 1 2 236.237 1.701 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COC(C)C ZINC000292269418 352311519 /nfs/dbraw/zinc/31/15/19/352311519.db2.gz SBKBFPQRNQIADF-LBPRGKRZSA-N 1 2 226.320 1.174 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COC(C)C ZINC000292269418 352311522 /nfs/dbraw/zinc/31/15/22/352311522.db2.gz SBKBFPQRNQIADF-LBPRGKRZSA-N 1 2 226.320 1.174 20 30 BDEDLO C=CCOC[C@H]([NH2+]C(CC)CC)C(=O)OC ZINC000336741829 352387761 /nfs/dbraw/zinc/38/77/61/352387761.db2.gz RKVPKNKGMMUPFJ-NSHDSACASA-N 1 2 229.320 1.509 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334315252 352946255 /nfs/dbraw/zinc/94/62/55/352946255.db2.gz QLYATTGQLONKEM-ZJUUUORDSA-N 1 2 246.314 1.590 20 30 BDEDLO CC(C)[N@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000177258019 188080274 /nfs/dbraw/zinc/08/02/74/188080274.db2.gz SPHGSGNJBCDLMK-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000177258019 188080276 /nfs/dbraw/zinc/08/02/76/188080276.db2.gz SPHGSGNJBCDLMK-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C=C(Cl)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000189449149 188081337 /nfs/dbraw/zinc/08/13/37/188081337.db2.gz WNQZEYMOTDHHMR-ZETCQYMHSA-N 1 2 231.645 1.984 20 30 BDEDLO C=C(Cl)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000189449149 188081338 /nfs/dbraw/zinc/08/13/38/188081338.db2.gz WNQZEYMOTDHHMR-ZETCQYMHSA-N 1 2 231.645 1.984 20 30 BDEDLO N#Cc1csc(CNc2cc[nH+]cc2F)n1 ZINC000336704496 188084121 /nfs/dbraw/zinc/08/41/21/188084121.db2.gz PEIBOWATNZSMLG-UHFFFAOYSA-N 1 2 234.259 1.583 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(C)nc1C(=O)OCC ZINC000274554048 188092649 /nfs/dbraw/zinc/09/26/49/188092649.db2.gz JEIIQSNDGQYBPQ-UHFFFAOYSA-N 1 2 249.314 1.052 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(C)nc1C(=O)OCC ZINC000274554048 188092650 /nfs/dbraw/zinc/09/26/50/188092650.db2.gz JEIIQSNDGQYBPQ-UHFFFAOYSA-N 1 2 249.314 1.052 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cn(C)nc1C(F)F ZINC000274441890 188092742 /nfs/dbraw/zinc/09/27/42/188092742.db2.gz CEMVGJRJARTWMJ-UHFFFAOYSA-N 1 2 237.253 1.426 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn2c(cccc2C)n1 ZINC000276954955 188094211 /nfs/dbraw/zinc/09/42/11/188094211.db2.gz LKECSBJRDOKPKJ-UHFFFAOYSA-N 1 2 213.284 1.708 20 30 BDEDLO C#CC[N@H+](C)Cc1cn2c(cccc2C)n1 ZINC000276954955 188094212 /nfs/dbraw/zinc/09/42/12/188094212.db2.gz LKECSBJRDOKPKJ-UHFFFAOYSA-N 1 2 213.284 1.708 20 30 BDEDLO CC#CCSc1nc(N)cc(CC)[nH+]1 ZINC000279103474 188096243 /nfs/dbraw/zinc/09/62/43/188096243.db2.gz QASRAMQAYIRPBH-UHFFFAOYSA-N 1 2 207.302 1.737 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330875835 353189813 /nfs/dbraw/zinc/18/98/13/353189813.db2.gz JJESVEGYAMCSFE-WDEREUQCSA-N 1 2 246.314 1.254 20 30 BDEDLO CC(C)(C)n1cc(C(=O)NCc2c[nH+]c[nH]2)nn1 ZINC000331073831 353215878 /nfs/dbraw/zinc/21/58/78/353215878.db2.gz GDMLHPWZLCJBHF-UHFFFAOYSA-N 1 2 248.290 1.261 20 30 BDEDLO CC(C)(C)n1cc(C(=O)NCc2c[nH]c[nH+]2)nn1 ZINC000331073831 353215880 /nfs/dbraw/zinc/21/58/80/353215880.db2.gz GDMLHPWZLCJBHF-UHFFFAOYSA-N 1 2 248.290 1.261 20 30 BDEDLO C[C@@H](CC#N)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330953850 353203955 /nfs/dbraw/zinc/20/39/55/353203955.db2.gz LZQTXRIDJBTUEB-QMMMGPOBSA-N 1 2 220.276 1.106 20 30 BDEDLO Cc1[nH]c(C(=O)NCC2(CO)CCCC2)c[nH+]1 ZINC000331029444 353208795 /nfs/dbraw/zinc/20/87/95/353208795.db2.gz DTQLTUNLMHHYCX-UHFFFAOYSA-N 1 2 237.303 1.575 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)Nc1nccs1 ZINC000072938865 353283821 /nfs/dbraw/zinc/28/38/21/353283821.db2.gz HTAXLWSSYYDMTF-UHFFFAOYSA-N 1 2 237.328 1.756 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@](C)(CCC)C(=O)OC ZINC000128600786 353298324 /nfs/dbraw/zinc/29/83/24/353298324.db2.gz FLGYUDKFFKVVIJ-WCQYABFASA-N 1 2 243.347 1.635 20 30 BDEDLO C#CCCN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000162484902 353322597 /nfs/dbraw/zinc/32/25/97/353322597.db2.gz LKRZHOGASFXAJZ-UHFFFAOYSA-N 1 2 249.383 1.592 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081569830 353410242 /nfs/dbraw/zinc/41/02/42/353410242.db2.gz KQPHNRZYRRXVCN-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081569830 353410246 /nfs/dbraw/zinc/41/02/46/353410246.db2.gz KQPHNRZYRRXVCN-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO C=CC[C@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC000281758673 353450922 /nfs/dbraw/zinc/45/09/22/353450922.db2.gz PXKHSUDICUHGIQ-JTQLQIEISA-N 1 2 207.277 1.354 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000281675120 353456070 /nfs/dbraw/zinc/45/60/70/353456070.db2.gz KFPKVXYHBCMCFW-SECBINFHSA-N 1 2 207.277 1.803 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(OC)cc(OC)c1 ZINC000093461456 353486829 /nfs/dbraw/zinc/48/68/29/353486829.db2.gz SSIBWMDTEFYRDI-UHFFFAOYSA-N 1 2 243.306 1.772 20 30 BDEDLO CCCCCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000061040404 353512271 /nfs/dbraw/zinc/51/22/71/353512271.db2.gz QYKXLNDDXAWZDI-UHFFFAOYSA-N 1 2 237.347 1.528 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1oncc1C(=O)OC ZINC000285933614 353548858 /nfs/dbraw/zinc/54/88/58/353548858.db2.gz IYJHZDDIBDSBIX-UHFFFAOYSA-N 1 2 238.287 1.859 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1oncc1C(=O)OC ZINC000285933614 353548860 /nfs/dbraw/zinc/54/88/60/353548860.db2.gz IYJHZDDIBDSBIX-UHFFFAOYSA-N 1 2 238.287 1.859 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000192219794 353537066 /nfs/dbraw/zinc/53/70/66/353537066.db2.gz YDZNZFJNUUHFSN-UHFFFAOYSA-N 1 2 211.696 1.447 20 30 BDEDLO C#CC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000192219794 353537070 /nfs/dbraw/zinc/53/70/70/353537070.db2.gz YDZNZFJNUUHFSN-UHFFFAOYSA-N 1 2 211.696 1.447 20 30 BDEDLO CC#CC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000283729461 353503141 /nfs/dbraw/zinc/50/31/41/353503141.db2.gz FICDQWUSPKUXDE-LBPRGKRZSA-N 1 2 245.326 1.980 20 30 BDEDLO C#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000288027301 353590770 /nfs/dbraw/zinc/59/07/70/353590770.db2.gz CVVHWDLKDQADCX-JTQLQIEISA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)C ZINC000288039004 353596964 /nfs/dbraw/zinc/59/69/64/353596964.db2.gz CNRICLCPTOBSNQ-JTQLQIEISA-N 1 2 219.288 1.496 20 30 BDEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)C ZINC000287017294 353567930 /nfs/dbraw/zinc/56/79/30/353567930.db2.gz GFIHVTUQBHNTTL-JTQLQIEISA-N 1 2 243.314 1.823 20 30 BDEDLO C#CCC(CC#C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000288965981 353615447 /nfs/dbraw/zinc/61/54/47/353615447.db2.gz CFBODRLRJSJBEO-UHFFFAOYSA-N 1 2 226.279 1.991 20 30 BDEDLO C#CCC(C)(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000184120116 353615809 /nfs/dbraw/zinc/61/58/09/353615809.db2.gz NIFMEENJBICKAJ-LBPRGKRZSA-N 1 2 247.342 1.685 20 30 BDEDLO N#CC1(C[N@H+](CCO)Cc2cccnc2)CC1 ZINC000343323715 353702339 /nfs/dbraw/zinc/70/23/39/353702339.db2.gz VOBRXHLTQDMKIE-UHFFFAOYSA-N 1 2 231.299 1.180 20 30 BDEDLO N#CC1(C[N@@H+](CCO)Cc2cccnc2)CC1 ZINC000343323715 353702343 /nfs/dbraw/zinc/70/23/43/353702343.db2.gz VOBRXHLTQDMKIE-UHFFFAOYSA-N 1 2 231.299 1.180 20 30 BDEDLO C=CC[NH+](CC=C)C[C@@H](O)C(F)(F)F ZINC000185180488 353770075 /nfs/dbraw/zinc/77/00/75/353770075.db2.gz SOEWZXWHRGFFAT-MRVPVSSYSA-N 1 2 209.211 1.584 20 30 BDEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000296686219 353831671 /nfs/dbraw/zinc/83/16/71/353831671.db2.gz LRONAZHJUZMJBP-NSHDSACASA-N 1 2 236.319 1.534 20 30 BDEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000296686219 353831674 /nfs/dbraw/zinc/83/16/74/353831674.db2.gz LRONAZHJUZMJBP-NSHDSACASA-N 1 2 236.319 1.534 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCSC(C)(C)C1 ZINC000300991085 363269885 /nfs/dbraw/zinc/26/98/85/363269885.db2.gz FXVWUQMGODRXML-SECBINFHSA-N 1 2 229.345 1.541 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCSC(C)(C)C1 ZINC000300991085 363269891 /nfs/dbraw/zinc/26/98/91/363269891.db2.gz FXVWUQMGODRXML-SECBINFHSA-N 1 2 229.345 1.541 20 30 BDEDLO N#CC1(C[N@H+]2CCCN(CC(F)F)CC2)CC1 ZINC000343583094 353939730 /nfs/dbraw/zinc/93/97/30/353939730.db2.gz RSHMCDHBIQOAIY-UHFFFAOYSA-N 1 2 243.301 1.563 20 30 BDEDLO N#CC1(C[N@@H+]2CCCN(CC(F)F)CC2)CC1 ZINC000343583094 353939733 /nfs/dbraw/zinc/93/97/33/353939733.db2.gz RSHMCDHBIQOAIY-UHFFFAOYSA-N 1 2 243.301 1.563 20 30 BDEDLO C=CC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343910139 354037545 /nfs/dbraw/zinc/03/75/45/354037545.db2.gz QGXVIYZZIVSJHH-ZDUSSCGKSA-N 1 2 230.311 1.216 20 30 BDEDLO C=CC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343910139 354037550 /nfs/dbraw/zinc/03/75/50/354037550.db2.gz QGXVIYZZIVSJHH-ZDUSSCGKSA-N 1 2 230.311 1.216 20 30 BDEDLO N#Cc1c(F)cccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000336578232 181075324 /nfs/dbraw/zinc/07/53/24/181075324.db2.gz BBLRRPKKJMQDAU-UHFFFAOYSA-N 1 2 244.229 1.350 20 30 BDEDLO N#Cc1c(F)cccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000336578232 181075325 /nfs/dbraw/zinc/07/53/25/181075325.db2.gz BBLRRPKKJMQDAU-UHFFFAOYSA-N 1 2 244.229 1.350 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000378549606 181102709 /nfs/dbraw/zinc/10/27/09/181102709.db2.gz MTUOSMYGMJYLEZ-UHFFFAOYSA-N 1 2 239.282 1.207 20 30 BDEDLO N#Cc1ccc(C[NH2+]CC(F)F)s1 ZINC000135563042 181107234 /nfs/dbraw/zinc/10/72/34/181107234.db2.gz KMZYXKMETLLYSL-UHFFFAOYSA-N 1 2 202.229 1.974 20 30 BDEDLO N#Cc1ccc(NCCNc2cccc[nH+]2)cn1 ZINC000354109880 181120970 /nfs/dbraw/zinc/12/09/70/181120970.db2.gz DPMPOSCOCRFNQB-UHFFFAOYSA-N 1 2 239.282 1.872 20 30 BDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](CCCC#N)C1CC1 ZINC000113261321 354386454 /nfs/dbraw/zinc/38/64/54/354386454.db2.gz BKRKVHFGXMOAJS-JTQLQIEISA-N 1 2 244.360 1.188 20 30 BDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](CCCC#N)C1CC1 ZINC000113261321 354386457 /nfs/dbraw/zinc/38/64/57/354386457.db2.gz BKRKVHFGXMOAJS-JTQLQIEISA-N 1 2 244.360 1.188 20 30 BDEDLO Cc1ccc(Cn2cc(C#N)cn2)c(C)[nH+]1 ZINC000335923407 134008057 /nfs/dbraw/zinc/00/80/57/134008057.db2.gz SWPUIJBJNUCVMF-UHFFFAOYSA-N 1 2 212.256 1.815 20 30 BDEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000345983180 354832950 /nfs/dbraw/zinc/83/29/50/354832950.db2.gz AZSWWZJTSAIENY-UTUOFQBUSA-N 1 2 246.314 1.452 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000301052988 363395078 /nfs/dbraw/zinc/39/50/78/363395078.db2.gz XGWWQFFRAZSJBH-CMPLNLGQSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@](C)(OC)C1 ZINC000301052988 363395083 /nfs/dbraw/zinc/39/50/83/363395083.db2.gz XGWWQFFRAZSJBH-CMPLNLGQSA-N 1 2 227.304 1.215 20 30 BDEDLO N#Cc1ccsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114336204 181160534 /nfs/dbraw/zinc/16/05/34/181160534.db2.gz MTLPWKCDJVNSOJ-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO Cc1cccn2cc(CNC(=O)[C@@H](C)C#N)[nH+]c12 ZINC000335843772 355587436 /nfs/dbraw/zinc/58/74/36/355587436.db2.gz JTSOSUWDHXWIHG-JTQLQIEISA-N 1 2 242.282 1.419 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255325 355859725 /nfs/dbraw/zinc/85/97/25/355859725.db2.gz AXCBUWOTLGGLDO-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO Cc1nnc([C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)[nH]1 ZINC000329187386 355902655 /nfs/dbraw/zinc/90/26/55/355902655.db2.gz GUIBFEATPVTVBC-LLVKDONJSA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)[nH]1 ZINC000329187386 355902659 /nfs/dbraw/zinc/90/26/59/355902659.db2.gz GUIBFEATPVTVBC-LLVKDONJSA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000329187386 355902662 /nfs/dbraw/zinc/90/26/62/355902662.db2.gz GUIBFEATPVTVBC-LLVKDONJSA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000329187386 355902667 /nfs/dbraw/zinc/90/26/67/355902667.db2.gz GUIBFEATPVTVBC-LLVKDONJSA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1ncsc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329929587 356145664 /nfs/dbraw/zinc/14/56/64/356145664.db2.gz NQRRDPGPXQMIAD-MRVPVSSYSA-N 1 2 241.316 1.370 20 30 BDEDLO Cc1ncsc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329929587 356145667 /nfs/dbraw/zinc/14/56/67/356145667.db2.gz NQRRDPGPXQMIAD-MRVPVSSYSA-N 1 2 241.316 1.370 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)OC ZINC000403810387 356147334 /nfs/dbraw/zinc/14/73/34/356147334.db2.gz MHIJQVQBDUFRJK-WYUUTHIRSA-N 1 2 223.316 1.740 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(C#N)cs1 ZINC000336161255 134111231 /nfs/dbraw/zinc/11/12/31/134111231.db2.gz 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CCOCCO[C@H]1CC[N@@H+](CCC#N)C1 ZINC000157616360 193007610 /nfs/dbraw/zinc/00/76/10/193007610.db2.gz XCAACYYMHLPZBU-NSHDSACASA-N 1 2 212.293 1.027 20 30 BDEDLO CCN(CCC[NH+]1CCOCC1)C[C@H](C)C#N ZINC000157770801 193024927 /nfs/dbraw/zinc/02/49/27/193024927.db2.gz DXGBYWONZQGHNF-CYBMUJFWSA-N 1 2 239.363 1.190 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000575134826 365217135 /nfs/dbraw/zinc/21/71/35/365217135.db2.gz JQSFOOQYXNMXEG-NSHDSACASA-N 1 2 233.315 1.789 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000575134826 365217139 /nfs/dbraw/zinc/21/71/39/365217139.db2.gz JQSFOOQYXNMXEG-NSHDSACASA-N 1 2 233.315 1.789 20 30 BDEDLO CCOc1cccc(C[NH2+]CC2(C#N)CC2)n1 ZINC000579666087 366945394 /nfs/dbraw/zinc/94/53/94/366945394.db2.gz NJDPXAOFXULWMY-UHFFFAOYSA-N 1 2 231.299 1.874 20 30 BDEDLO C[C@H](CNc1ccnc(C#N)c1)[NH+]1CCOCC1 ZINC000299588931 541483595 /nfs/dbraw/zinc/48/35/95/541483595.db2.gz CTFYMRYZYGIUSD-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000068765415 370843615 /nfs/dbraw/zinc/84/36/15/370843615.db2.gz MIYINFXKLYKDJC-JTQLQIEISA-N 1 2 217.272 1.174 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000068765415 370843621 /nfs/dbraw/zinc/84/36/21/370843621.db2.gz MIYINFXKLYKDJC-JTQLQIEISA-N 1 2 217.272 1.174 20 30 BDEDLO C=C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000581030430 367240854 /nfs/dbraw/zinc/24/08/54/367240854.db2.gz YETCLEGUQRCDSC-UHFFFAOYSA-N 1 2 219.288 1.141 20 30 BDEDLO CCC(CC)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581074663 367255402 /nfs/dbraw/zinc/25/54/02/367255402.db2.gz OVTSSYWGWQPWIA-ZDUSSCGKSA-N 1 2 239.363 1.773 20 30 BDEDLO N#C[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000581544380 367570187 /nfs/dbraw/zinc/57/01/87/367570187.db2.gz CWKBSVLTGCDREN-KOLCDFICSA-N 1 2 228.299 1.880 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+](CC#CCOC)C1CC1 ZINC000615821757 368453544 /nfs/dbraw/zinc/45/35/44/368453544.db2.gz ULCUFMDSEKNZPS-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+](CC#CCOC)C1CC1 ZINC000615821757 368453547 /nfs/dbraw/zinc/45/35/47/368453547.db2.gz ULCUFMDSEKNZPS-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615832404 368484200 /nfs/dbraw/zinc/48/42/00/368484200.db2.gz YIIYXAMFBUPQKM-JTQLQIEISA-N 1 2 247.342 1.843 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615832404 368484208 /nfs/dbraw/zinc/48/42/08/368484208.db2.gz YIIYXAMFBUPQKM-JTQLQIEISA-N 1 2 247.342 1.843 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1 ZINC000067128421 368680128 /nfs/dbraw/zinc/68/01/28/368680128.db2.gz SVPDHFPESNZXOL-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(OC)cc1 ZINC000067128421 368680132 /nfs/dbraw/zinc/68/01/32/368680132.db2.gz SVPDHFPESNZXOL-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cnnn1CC ZINC000459307846 203253434 /nfs/dbraw/zinc/25/34/34/203253434.db2.gz SMMIBWDCGYZYMZ-UHFFFAOYSA-N 1 2 206.293 1.472 20 30 BDEDLO C=C[C@@H]([NH2+]CCC[C@@H]1CCOC1)C(=O)OC ZINC000402379359 369383901 /nfs/dbraw/zinc/38/39/01/369383901.db2.gz LGCOJSFHGSLKQR-GHMZBOCLSA-N 1 2 227.304 1.120 20 30 BDEDLO CC[N@H+](CCC#N)CCc1cncc(C)n1 ZINC000402587912 369387917 /nfs/dbraw/zinc/38/79/17/369387917.db2.gz BXJKWQIZEVAQCT-UHFFFAOYSA-N 1 2 218.304 1.563 20 30 BDEDLO CC[N@@H+](CCC#N)CCc1cncc(C)n1 ZINC000402587912 369387921 /nfs/dbraw/zinc/38/79/21/369387921.db2.gz BXJKWQIZEVAQCT-UHFFFAOYSA-N 1 2 218.304 1.563 20 30 BDEDLO Cc1cc(N2C[C@H](C)C[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000401962450 369375463 /nfs/dbraw/zinc/37/54/63/369375463.db2.gz PTAWYQJFDIPYNR-BXKDBHETSA-N 1 2 231.299 1.469 20 30 BDEDLO C[C@]1(C#N)CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000619511279 369454019 /nfs/dbraw/zinc/45/40/19/369454019.db2.gz ZDXZQQCGTUEZHU-LLVKDONJSA-N 1 2 204.277 1.535 20 30 BDEDLO C[C@]1(C#N)CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000619511279 369454024 /nfs/dbraw/zinc/45/40/24/369454024.db2.gz ZDXZQQCGTUEZHU-LLVKDONJSA-N 1 2 204.277 1.535 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000619716238 369545856 /nfs/dbraw/zinc/54/58/56/369545856.db2.gz BVSVOWYLHURGEH-CMPLNLGQSA-N 1 2 249.314 1.317 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000619716238 369545858 /nfs/dbraw/zinc/54/58/58/369545858.db2.gz BVSVOWYLHURGEH-CMPLNLGQSA-N 1 2 249.314 1.317 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C)(COC)CC1 ZINC000619720189 369550391 /nfs/dbraw/zinc/55/03/91/369550391.db2.gz NTMYGAXZVVIYGG-LLVKDONJSA-N 1 2 241.331 1.463 20 30 BDEDLO Cn1c[nH+]c(/C=C/c2ccc(C#N)cn2)c1 ZINC000619743280 369568566 /nfs/dbraw/zinc/56/85/66/369568566.db2.gz VHBWZZRTJJZUDT-SNAWJCMRSA-N 1 2 210.240 1.857 20 30 BDEDLO CC(C)(CNc1ncccc1C#N)n1cc[nH+]c1 ZINC000601197734 369604942 /nfs/dbraw/zinc/60/49/42/369604942.db2.gz DGIWGQLXQPOLLC-UHFFFAOYSA-N 1 2 241.298 1.997 20 30 BDEDLO C[C@H](C[N@@H+]1CCO[C@@H](C#N)C1)C(C)(C)C ZINC000619844297 369616347 /nfs/dbraw/zinc/61/63/47/369616347.db2.gz PIZJJFZSLPUPHA-MNOVXSKESA-N 1 2 210.321 1.893 20 30 BDEDLO C[C@H](C[N@H+]1CCO[C@@H](C#N)C1)C(C)(C)C ZINC000619844297 369616352 /nfs/dbraw/zinc/61/63/52/369616352.db2.gz PIZJJFZSLPUPHA-MNOVXSKESA-N 1 2 210.321 1.893 20 30 BDEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N(C)C ZINC000602017824 369735307 /nfs/dbraw/zinc/73/53/07/369735307.db2.gz RFXRGQIWAIXMOP-VIFPVBQESA-N 1 2 249.289 1.264 20 30 BDEDLO C[C@@H]1C[NH+](Cc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000602431457 369787153 /nfs/dbraw/zinc/78/71/53/369787153.db2.gz MZYPDAYCZYWJIG-GHMZBOCLSA-N 1 2 231.299 1.562 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000602478489 369792929 /nfs/dbraw/zinc/79/29/29/369792929.db2.gz YXJCOPGFBOISQW-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCOC3(CCC3)C2)n1 ZINC000602478489 369792932 /nfs/dbraw/zinc/79/29/32/369792932.db2.gz YXJCOPGFBOISQW-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ncc[nH]2)c(F)c1 ZINC000066594085 370593428 /nfs/dbraw/zinc/59/34/28/370593428.db2.gz LDRNAAFLJWFLEE-UHFFFAOYSA-N 1 2 230.246 1.710 20 30 BDEDLO N#Cc1ccc(CNCc2[nH]cc[nH+]2)c(F)c1 ZINC000066594085 370593436 /nfs/dbraw/zinc/59/34/36/370593436.db2.gz LDRNAAFLJWFLEE-UHFFFAOYSA-N 1 2 230.246 1.710 20 30 BDEDLO Cc1cccn2cc(CN(C)CCC#N)[nH+]c12 ZINC000078645524 370583367 /nfs/dbraw/zinc/58/33/67/370583367.db2.gz QAQZQNAPOFEQDM-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000171931357 372822987 /nfs/dbraw/zinc/82/29/87/372822987.db2.gz URNNCHVDWMDISD-LLVKDONJSA-N 1 2 240.266 1.366 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2c[nH+]c(C)nc2N)C1 ZINC000633041967 373258492 /nfs/dbraw/zinc/25/84/92/373258492.db2.gz KEOPZVLHJYYBNE-UHFFFAOYSA-N 1 2 246.314 1.170 20 30 BDEDLO C=CCCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633171158 373321408 /nfs/dbraw/zinc/32/14/08/373321408.db2.gz FKCMOSXANFTNLQ-UHFFFAOYSA-N 1 2 236.319 1.907 20 30 BDEDLO C=CC[C@H](CC)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633209404 373349510 /nfs/dbraw/zinc/34/95/10/373349510.db2.gz YCLDNTHMTRVZMX-JTQLQIEISA-N 1 2 236.319 1.906 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000633304180 373461501 /nfs/dbraw/zinc/46/15/01/373461501.db2.gz COAQFALFNNJLSJ-SNVBAGLBSA-N 1 2 231.299 1.280 20 30 BDEDLO Cc1cc(N[C@H]2[C@@H]3CCC[C@@H]32)c(C#N)c[nH+]1 ZINC000425265078 206021364 /nfs/dbraw/zinc/02/13/64/206021364.db2.gz YQMJUSPYPIIYHP-PJXYFTJBSA-N 1 2 213.284 1.894 20 30 BDEDLO N#CCN1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156363853 206075528 /nfs/dbraw/zinc/07/55/28/206075528.db2.gz QDHNLRAWBCZFEY-NSHDSACASA-N 1 2 203.245 1.058 20 30 BDEDLO Cn1ccnc1C[N@H+](C)CCC(C)(C)C#N ZINC000087595586 383850400 /nfs/dbraw/zinc/85/04/00/383850400.db2.gz RSUIHHLQKGLGTB-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)CCC(C)(C)C#N ZINC000087595586 383850404 /nfs/dbraw/zinc/85/04/04/383850404.db2.gz RSUIHHLQKGLGTB-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO N#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000334441412 383880255 /nfs/dbraw/zinc/88/02/55/383880255.db2.gz ZWMUOTXLKBIKAJ-UHFFFAOYSA-N 1 2 242.238 1.004 20 30 BDEDLO C=C(C)CN(CC)C(=O)NCc1c[nH+]cn1C ZINC000292378482 383925778 /nfs/dbraw/zinc/92/57/78/383925778.db2.gz PZQHQAUAHMFNQD-UHFFFAOYSA-N 1 2 236.319 1.528 20 30 BDEDLO COc1cccc(C[N@H+](C)C[C@H](C)C#N)n1 ZINC000070093661 384080212 /nfs/dbraw/zinc/08/02/12/384080212.db2.gz JMXHUVLBBFJFKE-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO COc1cccc(C[N@@H+](C)C[C@H](C)C#N)n1 ZINC000070093661 384080218 /nfs/dbraw/zinc/08/02/18/384080218.db2.gz JMXHUVLBBFJFKE-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cnccc1C#N ZINC000135597418 384192833 /nfs/dbraw/zinc/19/28/33/384192833.db2.gz QYIAHZJISKYWAJ-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO CC(C)[C@H](Nc1cnc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000285815159 384215367 /nfs/dbraw/zinc/21/53/67/384215367.db2.gz YZZZCOFUKFVDJB-NSHDSACASA-N 1 2 242.286 1.881 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000336375148 384218928 /nfs/dbraw/zinc/21/89/28/384218928.db2.gz OXFYTAZBDDBDMU-UHFFFAOYSA-N 1 2 244.254 1.455 20 30 BDEDLO N#CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082275225 384220485 /nfs/dbraw/zinc/22/04/85/384220485.db2.gz TXXWLKFHERGVKL-SECBINFHSA-N 1 2 218.260 1.029 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cc(C#N)ccn1 ZINC000286182227 384246769 /nfs/dbraw/zinc/24/67/69/384246769.db2.gz LAMSRIDVXHNTDN-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO Cc1cc(N[C@H]2CCSC2)c(C#N)c[nH+]1 ZINC000335510920 384296749 /nfs/dbraw/zinc/29/67/49/384296749.db2.gz NDKZEKOIEMQUIF-JTQLQIEISA-N 1 2 219.313 1.601 20 30 BDEDLO N#CCC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000404209997 384363177 /nfs/dbraw/zinc/36/31/77/384363177.db2.gz UYXKOEUUHVZEBD-UHFFFAOYSA-N 1 2 232.287 1.083 20 30 BDEDLO C=C(C)CN(CC)C(=O)CCn1cc[nH+]c1 ZINC000299674712 384331254 /nfs/dbraw/zinc/33/12/54/384331254.db2.gz RNYKYTHJFYFQAW-UHFFFAOYSA-N 1 2 221.304 1.698 20 30 BDEDLO C#CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000369300277 533059862 /nfs/dbraw/zinc/05/98/62/533059862.db2.gz VSEOJWBIJZGXHK-UHFFFAOYSA-N 1 2 248.351 1.246 20 30 BDEDLO C#CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000369300277 533059867 /nfs/dbraw/zinc/05/98/67/533059867.db2.gz VSEOJWBIJZGXHK-UHFFFAOYSA-N 1 2 248.351 1.246 20 30 BDEDLO C=CCOCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000238008544 384455575 /nfs/dbraw/zinc/45/55/75/384455575.db2.gz LZKBKIYTNDSJGT-UHFFFAOYSA-N 1 2 235.287 1.585 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c[nH]nc1C ZINC000490914525 384483589 /nfs/dbraw/zinc/48/35/89/384483589.db2.gz JCNWERYLVAYCMI-UHFFFAOYSA-N 1 2 201.273 1.177 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c[nH]nc1C ZINC000490914525 384483593 /nfs/dbraw/zinc/48/35/93/384483593.db2.gz JCNWERYLVAYCMI-UHFFFAOYSA-N 1 2 201.273 1.177 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1CC1 ZINC000249932625 384530070 /nfs/dbraw/zinc/53/00/70/384530070.db2.gz FBRAUSAHDUYBJJ-NXEZZACHSA-N 1 2 223.320 1.135 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1CC1 ZINC000249932625 384530072 /nfs/dbraw/zinc/53/00/72/384530072.db2.gz FBRAUSAHDUYBJJ-NXEZZACHSA-N 1 2 223.320 1.135 20 30 BDEDLO C=CCOC[C@@H]([NH2+]C1CCCC1)C(=O)OC ZINC000309431577 384537755 /nfs/dbraw/zinc/53/77/55/384537755.db2.gz GHLUDZXFNFNXDU-LLVKDONJSA-N 1 2 227.304 1.263 20 30 BDEDLO N#CCC[N@H+](Cc1cccnc1)C1CC1 ZINC000049900095 384574820 /nfs/dbraw/zinc/57/48/20/384574820.db2.gz SELDMQUXMDPVAG-UHFFFAOYSA-N 1 2 201.273 1.960 20 30 BDEDLO N#CCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000049900095 384574825 /nfs/dbraw/zinc/57/48/25/384574825.db2.gz SELDMQUXMDPVAG-UHFFFAOYSA-N 1 2 201.273 1.960 20 30 BDEDLO COc1nccc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000517924840 384575054 /nfs/dbraw/zinc/57/50/54/384575054.db2.gz AQIFZWYJMLNNPW-SNVBAGLBSA-N 1 2 245.286 1.018 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@](C)(O)C(F)(F)F ZINC000309803014 384626770 /nfs/dbraw/zinc/62/67/70/384626770.db2.gz WXTPCYKEVOFHMJ-IUCAKERBSA-N 1 2 238.253 1.781 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@](C)(O)C(F)(F)F ZINC000309803014 384626771 /nfs/dbraw/zinc/62/67/71/384626771.db2.gz WXTPCYKEVOFHMJ-IUCAKERBSA-N 1 2 238.253 1.781 20 30 BDEDLO C=C(CC)Cn1ncc2c1nc[nH+]c2NC ZINC000309913233 384708036 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385472834 /nfs/dbraw/zinc/47/28/34/385472834.db2.gz FEASJXUJFURLRL-UHFFFAOYSA-N 1 2 240.328 1.717 20 30 BDEDLO C[C@@H](CC#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171922871 385532888 /nfs/dbraw/zinc/53/28/88/385532888.db2.gz YUSQZIRXOVSCTN-VIFPVBQESA-N 1 2 228.255 1.366 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000362370834 385520026 /nfs/dbraw/zinc/52/00/26/385520026.db2.gz NIJQWTZNDGLUIF-SNVBAGLBSA-N 1 2 248.330 1.521 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493328767 385563945 /nfs/dbraw/zinc/56/39/45/385563945.db2.gz DAJIBNQDXMATRJ-NWALNABHSA-N 1 2 218.260 1.231 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000408175210 385611183 /nfs/dbraw/zinc/61/11/83/385611183.db2.gz YBLCJUXKSCVDIC-SNVBAGLBSA-N 1 2 246.314 1.111 20 30 BDEDLO N#CCC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822647 385640697 /nfs/dbraw/zinc/64/06/97/385640697.db2.gz ZIAZYFIAKMVDFR-UHFFFAOYSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822647 385640706 /nfs/dbraw/zinc/64/07/06/385640706.db2.gz ZIAZYFIAKMVDFR-UHFFFAOYSA-N 1 2 220.316 1.791 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@H](CC)c1nccs1 ZINC000185053391 385717662 /nfs/dbraw/zinc/71/76/62/385717662.db2.gz ZBBTYGCVMFWKPO-SECBINFHSA-N 1 2 239.344 1.486 20 30 BDEDLO C=C(C)CCn1ncc2c1nc[nH+]c2NC ZINC000309623780 385749958 /nfs/dbraw/zinc/74/99/58/385749958.db2.gz FVRSWVJMYDRZIN-UHFFFAOYSA-N 1 2 217.276 1.834 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000271113616 385787536 /nfs/dbraw/zinc/78/75/36/385787536.db2.gz DAVJLMDQRBKTOE-MRVPVSSYSA-N 1 2 206.293 1.618 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000271113616 385787543 /nfs/dbraw/zinc/78/75/43/385787543.db2.gz DAVJLMDQRBKTOE-MRVPVSSYSA-N 1 2 206.293 1.618 20 30 BDEDLO Cc1cc(CNC(=O)[C@@]2(C#N)C[C@@H]2C)cc(C)[nH+]1 ZINC000335059198 385962169 /nfs/dbraw/zinc/96/21/69/385962169.db2.gz RPDQVMKGEGOUFH-LKFCYVNXSA-N 1 2 243.310 1.864 20 30 BDEDLO C#CCN1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000301694665 533157203 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/nfs/dbraw/zinc/17/41/43/387174143.db2.gz DTKKFBFMLBLKDW-UHFFFAOYSA-N 1 2 232.287 1.269 20 30 BDEDLO Cn1cc(C[C@@H]2CC[N@@H+](C(C)(C)C#N)C2)cn1 ZINC000161366021 387202685 /nfs/dbraw/zinc/20/26/85/387202685.db2.gz KHRHMWUBQKRQFP-NSHDSACASA-N 1 2 232.331 1.587 20 30 BDEDLO Cn1cc(C[C@@H]2CC[N@H+](C(C)(C)C#N)C2)cn1 ZINC000161366021 387202690 /nfs/dbraw/zinc/20/26/90/387202690.db2.gz KHRHMWUBQKRQFP-NSHDSACASA-N 1 2 232.331 1.587 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000029810233 387305812 /nfs/dbraw/zinc/30/58/12/387305812.db2.gz QTVVEXPWHAGJRT-SNVBAGLBSA-N 1 2 248.351 1.244 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000029810233 387305816 /nfs/dbraw/zinc/30/58/16/387305816.db2.gz QTVVEXPWHAGJRT-SNVBAGLBSA-N 1 2 248.351 1.244 20 30 BDEDLO C=C1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC000336505470 387332344 /nfs/dbraw/zinc/33/23/44/387332344.db2.gz AXBVFMMKTRBMGI-JTQLQIEISA-N 1 2 206.293 1.528 20 30 BDEDLO COCC1(C[NH+]2CC(C)(C#N)C2)CCC1 ZINC000515497146 387390605 /nfs/dbraw/zinc/39/06/05/387390605.db2.gz UXDZTRRQNGCLRJ-UHFFFAOYSA-N 1 2 208.305 1.649 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC=CCC1 ZINC000515575892 387399769 /nfs/dbraw/zinc/39/97/69/387399769.db2.gz XQGPXRNSYCAQRJ-DGCLKSJQSA-N 1 2 235.331 1.303 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421920822 387505223 /nfs/dbraw/zinc/50/52/23/387505223.db2.gz OMMFISWTZYYVQP-CQSZACIVSA-N 1 2 248.326 1.642 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(F)cn1 ZINC000276181760 387520418 /nfs/dbraw/zinc/52/04/18/387520418.db2.gz GVEXOJDAOFBHJO-UHFFFAOYSA-N 1 2 202.232 1.289 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000042449483 387628520 /nfs/dbraw/zinc/62/85/20/387628520.db2.gz AIKKUEIBFFUKBS-NWDGAFQWSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449483 387628524 /nfs/dbraw/zinc/62/85/24/387628524.db2.gz AIKKUEIBFFUKBS-NWDGAFQWSA-N 1 2 239.363 1.773 20 30 BDEDLO Cc1cc(NCCCn2cccn2)c(C#N)c[nH+]1 ZINC000399545280 387552973 /nfs/dbraw/zinc/55/29/73/387552973.db2.gz ZPWCPVRSEKKNKO-UHFFFAOYSA-N 1 2 241.298 1.382 20 30 BDEDLO CC#CCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426279883 387553048 /nfs/dbraw/zinc/55/30/48/387553048.db2.gz ZWQRTNCXVNNSTG-ZDUSSCGKSA-N 1 2 236.359 1.589 20 30 BDEDLO CC#CCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426279883 387553051 /nfs/dbraw/zinc/55/30/51/387553051.db2.gz ZWQRTNCXVNNSTG-ZDUSSCGKSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279514403 387567853 /nfs/dbraw/zinc/56/78/53/387567853.db2.gz QHSLJSREPVAZBC-SNVBAGLBSA-N 1 2 219.288 1.507 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279514403 387567858 /nfs/dbraw/zinc/56/78/58/387567858.db2.gz QHSLJSREPVAZBC-SNVBAGLBSA-N 1 2 219.288 1.507 20 30 BDEDLO C=CCOCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336816 387806816 /nfs/dbraw/zinc/80/68/16/387806816.db2.gz WUCXHWDLXPPPSP-UHFFFAOYSA-N 1 2 235.287 1.361 20 30 BDEDLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(C#N)s1 ZINC000353535592 387807387 /nfs/dbraw/zinc/80/73/87/387807387.db2.gz WKPPMVYEBSFDLZ-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(C#N)s1 ZINC000353535592 387807390 /nfs/dbraw/zinc/80/73/90/387807390.db2.gz WKPPMVYEBSFDLZ-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cnc(C)s2)nn1 ZINC000424170744 387862006 /nfs/dbraw/zinc/86/20/06/387862006.db2.gz KLUMGHXVKSJJJQ-UHFFFAOYSA-N 1 2 249.343 1.519 20 30 BDEDLO N#CCCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193857340 387867227 /nfs/dbraw/zinc/86/72/27/387867227.db2.gz WNLYCIRFNNSBKT-LLVKDONJSA-N 1 2 218.304 1.893 20 30 BDEDLO N#CCCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193857340 387867230 /nfs/dbraw/zinc/86/72/30/387867230.db2.gz WNLYCIRFNNSBKT-LLVKDONJSA-N 1 2 218.304 1.893 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2occc2C)nn1 ZINC000424175878 387884705 /nfs/dbraw/zinc/88/47/05/387884705.db2.gz VTMDYNDGJCPLCY-UHFFFAOYSA-N 1 2 232.287 1.655 20 30 BDEDLO Cc1[nH]ncc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000037996313 387906919 /nfs/dbraw/zinc/90/69/19/387906919.db2.gz TWANTBRYCQYNAG-UHFFFAOYSA-N 1 2 226.283 1.880 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccco2)nn1 ZINC000424301050 387960766 /nfs/dbraw/zinc/96/07/66/387960766.db2.gz ZGPRYDNCHXJUSR-JTQLQIEISA-N 1 2 232.287 1.908 20 30 BDEDLO CN(C)c1noc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000446796113 388039167 /nfs/dbraw/zinc/03/91/67/388039167.db2.gz QIFFHUUZINUYQK-ZJUUUORDSA-N 1 2 249.318 1.308 20 30 BDEDLO N#Cc1csc(C[NH+]2CC([C@@H]3CCOC3)C2)n1 ZINC000589514228 388114317 /nfs/dbraw/zinc/11/43/17/388114317.db2.gz NDMNOSGKYICDCO-SECBINFHSA-N 1 2 249.339 1.483 20 30 BDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000042338201 388087763 /nfs/dbraw/zinc/08/77/63/388087763.db2.gz MTBBVLKHXCKGEX-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000042338201 388087766 /nfs/dbraw/zinc/08/77/66/388087766.db2.gz MTBBVLKHXCKGEX-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO C=CCCCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000449267637 388164884 /nfs/dbraw/zinc/16/48/84/388164884.db2.gz APJXTQXHWVXKMD-TUAOUCFPSA-N 1 2 243.347 1.633 20 30 BDEDLO C=C(C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000454836602 388136114 /nfs/dbraw/zinc/13/61/14/388136114.db2.gz MTBZAPHFRMJJLN-LLVKDONJSA-N 1 2 248.330 1.463 20 30 BDEDLO CC#CC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488763427 388194586 /nfs/dbraw/zinc/19/45/86/388194586.db2.gz ISAIDTYNGGZJSH-CYBMUJFWSA-N 1 2 249.358 1.088 20 30 BDEDLO CC#CC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488763427 388194588 /nfs/dbraw/zinc/19/45/88/388194588.db2.gz ISAIDTYNGGZJSH-CYBMUJFWSA-N 1 2 249.358 1.088 20 30 BDEDLO C=C(CC)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000456813710 388224357 /nfs/dbraw/zinc/22/43/57/388224357.db2.gz REXOIXYVXUSIIH-UHFFFAOYSA-N 1 2 221.304 1.770 20 30 BDEDLO CCc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000459445217 388244727 /nfs/dbraw/zinc/24/47/27/388244727.db2.gz BPLLWKSRORXGOC-KOLCDFICSA-N 1 2 246.314 1.526 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C(C)C)C(C)C ZINC000490699258 388247887 /nfs/dbraw/zinc/24/78/87/388247887.db2.gz PTGFENMGWFBXDI-UHFFFAOYSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C(C)C)C(C)C ZINC000490699258 388247888 /nfs/dbraw/zinc/24/78/88/388247888.db2.gz PTGFENMGWFBXDI-UHFFFAOYSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)nn1C)C1CC1 ZINC000491266912 388281272 /nfs/dbraw/zinc/28/12/72/388281272.db2.gz REHTYQCZMXEELK-UHFFFAOYSA-N 1 2 203.289 1.326 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)nn1C)C1CC1 ZINC000491266912 388281273 /nfs/dbraw/zinc/28/12/73/388281273.db2.gz REHTYQCZMXEELK-UHFFFAOYSA-N 1 2 203.289 1.326 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000491308819 388284206 /nfs/dbraw/zinc/28/42/06/388284206.db2.gz WGBTWBAVHGTLJN-BETUJISGSA-N 1 2 248.370 1.589 20 30 BDEDLO C#CC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000491308819 388284208 /nfs/dbraw/zinc/28/42/08/388284208.db2.gz WGBTWBAVHGTLJN-BETUJISGSA-N 1 2 248.370 1.589 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(-c2ccncn2)cn1 ZINC000491382442 388290265 /nfs/dbraw/zinc/29/02/65/388290265.db2.gz IQBDBIYRANPMEK-LLVKDONJSA-N 1 2 241.298 1.251 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(-c2ccncn2)cn1 ZINC000491382442 388290267 /nfs/dbraw/zinc/29/02/67/388290267.db2.gz IQBDBIYRANPMEK-LLVKDONJSA-N 1 2 241.298 1.251 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000491396521 388292016 /nfs/dbraw/zinc/29/20/16/388292016.db2.gz YLFUQMGRNVQQEM-OAHLLOKOSA-N 1 2 240.306 1.587 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000491396521 388292017 /nfs/dbraw/zinc/29/20/17/388292017.db2.gz YLFUQMGRNVQQEM-OAHLLOKOSA-N 1 2 240.306 1.587 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000491484533 388298157 /nfs/dbraw/zinc/29/81/57/388298157.db2.gz JCKYMOSDPHNPTB-LBPRGKRZSA-N 1 2 242.322 1.529 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000491484533 388298158 /nfs/dbraw/zinc/29/81/58/388298158.db2.gz JCKYMOSDPHNPTB-LBPRGKRZSA-N 1 2 242.322 1.529 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1cncs1 ZINC000491554796 388303685 /nfs/dbraw/zinc/30/36/85/388303685.db2.gz MFLXMOAOCQDREU-JTQLQIEISA-N 1 2 222.313 1.020 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1cncs1 ZINC000491554796 388303686 /nfs/dbraw/zinc/30/36/86/388303686.db2.gz MFLXMOAOCQDREU-JTQLQIEISA-N 1 2 222.313 1.020 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000491652303 388308232 /nfs/dbraw/zinc/30/82/32/388308232.db2.gz ASGZPDVCRVZIKQ-DGCLKSJQSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000491652303 388308233 /nfs/dbraw/zinc/30/82/33/388308233.db2.gz ASGZPDVCRVZIKQ-DGCLKSJQSA-N 1 2 222.332 1.546 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(CC)cn1 ZINC000491700618 388312759 /nfs/dbraw/zinc/31/27/59/388312759.db2.gz DPXLCWYKOKXJCD-UHFFFAOYSA-N 1 2 212.296 1.712 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000491716820 388314211 /nfs/dbraw/zinc/31/42/11/388314211.db2.gz UVKKZDNPDVXEOB-OCCSQVGLSA-N 1 2 248.370 1.936 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000491716820 388314212 /nfs/dbraw/zinc/31/42/12/388314212.db2.gz UVKKZDNPDVXEOB-OCCSQVGLSA-N 1 2 248.370 1.936 20 30 BDEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000491726988 388315287 /nfs/dbraw/zinc/31/52/87/388315287.db2.gz FFCVYXDRHBLECW-SNVBAGLBSA-N 1 2 231.299 1.213 20 30 BDEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000491726988 388315288 /nfs/dbraw/zinc/31/52/88/388315288.db2.gz FFCVYXDRHBLECW-SNVBAGLBSA-N 1 2 231.299 1.213 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1C ZINC000491728936 388315596 /nfs/dbraw/zinc/31/55/96/388315596.db2.gz MUGKXXBACSUBNI-AWEZNQCLSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1C ZINC000491728936 388315597 /nfs/dbraw/zinc/31/55/97/388315597.db2.gz MUGKXXBACSUBNI-AWEZNQCLSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000491729204 388315641 /nfs/dbraw/zinc/31/56/41/388315641.db2.gz FJPFCFABSQNONB-QMMMGPOBSA-N 1 2 222.248 1.011 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000491729204 388315642 /nfs/dbraw/zinc/31/56/42/388315642.db2.gz FJPFCFABSQNONB-QMMMGPOBSA-N 1 2 222.248 1.011 20 30 BDEDLO C#CCN(CC#CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491739970 388316640 /nfs/dbraw/zinc/31/66/40/388316640.db2.gz XTBGLEYDAFXSID-GFCCVEGCSA-N 1 2 243.310 1.073 20 30 BDEDLO C#CCN(CC#CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491739970 388316641 /nfs/dbraw/zinc/31/66/41/388316641.db2.gz XTBGLEYDAFXSID-GFCCVEGCSA-N 1 2 243.310 1.073 20 30 BDEDLO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000491752296 388317932 /nfs/dbraw/zinc/31/79/32/388317932.db2.gz WDYACOBNYXADLM-ZIAGYGMSSA-N 1 2 233.286 1.420 20 30 BDEDLO C#CC[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000491752296 388317933 /nfs/dbraw/zinc/31/79/33/388317933.db2.gz WDYACOBNYXADLM-ZIAGYGMSSA-N 1 2 233.286 1.420 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000491776616 388319783 /nfs/dbraw/zinc/31/97/83/388319783.db2.gz WHHNRIPFIIUMNF-UHFFFAOYSA-N 1 2 232.331 1.532 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000491776616 388319784 /nfs/dbraw/zinc/31/97/84/388319784.db2.gz WHHNRIPFIIUMNF-UHFFFAOYSA-N 1 2 232.331 1.532 20 30 BDEDLO C#CCN(CC#CC)Cc1c[nH+]cn1C(C)C ZINC000491782097 388320599 /nfs/dbraw/zinc/32/05/99/388320599.db2.gz MWGZFZXDXYGTHL-UHFFFAOYSA-N 1 2 229.327 1.923 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000491788354 388321156 /nfs/dbraw/zinc/32/11/56/388321156.db2.gz WYZCJRNZSVJTOP-VIFPVBQESA-N 1 2 247.323 1.512 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000491788354 388321157 /nfs/dbraw/zinc/32/11/57/388321157.db2.gz WYZCJRNZSVJTOP-VIFPVBQESA-N 1 2 247.323 1.512 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCCC(=O)OCC ZINC000491791862 388321308 /nfs/dbraw/zinc/32/13/08/388321308.db2.gz CFHRBXJDMCPMKM-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCCC(=O)OCC ZINC000491791862 388321309 /nfs/dbraw/zinc/32/13/09/388321309.db2.gz CFHRBXJDMCPMKM-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO C#C[C@H](CC)NC(=O)NCCNc1cccc[nH+]1 ZINC000491806849 388321981 /nfs/dbraw/zinc/32/19/81/388321981.db2.gz RGXBYYOERFZSAO-LLVKDONJSA-N 1 2 246.314 1.205 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cccnc1OC ZINC000491818656 388323619 /nfs/dbraw/zinc/32/36/19/388323619.db2.gz ZCYVATXVTNXVCG-JTQLQIEISA-N 1 2 204.273 1.544 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cccnc1OC ZINC000491818656 388323620 /nfs/dbraw/zinc/32/36/20/388323620.db2.gz ZCYVATXVTNXVCG-JTQLQIEISA-N 1 2 204.273 1.544 20 30 BDEDLO C#CCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000491043667 388267254 /nfs/dbraw/zinc/26/72/54/388267254.db2.gz DEMZBVCDFLDSSO-UHFFFAOYSA-N 1 2 217.272 1.217 20 30 BDEDLO CCOC(=O)N(C)C1CC[NH+](CCC#N)CC1 ZINC000491076557 388268823 /nfs/dbraw/zinc/26/88/23/388268823.db2.gz ORRWZCABNZSPBC-UHFFFAOYSA-N 1 2 239.319 1.453 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@H](C)CC#N ZINC000492316301 388341180 /nfs/dbraw/zinc/34/11/80/388341180.db2.gz GGNJSLZJXIQTCZ-ISALQUGTSA-N 1 2 246.314 1.677 20 30 BDEDLO C#C[C@H](CCC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000233358542 388346381 /nfs/dbraw/zinc/34/63/81/388346381.db2.gz PKVANGMGCMZAEG-GHMZBOCLSA-N 1 2 209.289 1.330 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649226274 388462874 /nfs/dbraw/zinc/46/28/74/388462874.db2.gz KGNQNEQWMHBFEV-LLVKDONJSA-N 1 2 247.342 1.774 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000517172448 388540839 /nfs/dbraw/zinc/54/08/39/388540839.db2.gz WORSMKCQPDBQIB-SNVBAGLBSA-N 1 2 234.303 1.350 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000517172448 388540843 /nfs/dbraw/zinc/54/08/43/388540843.db2.gz WORSMKCQPDBQIB-SNVBAGLBSA-N 1 2 234.303 1.350 20 30 BDEDLO N#CCCOCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000549802097 388591318 /nfs/dbraw/zinc/59/13/18/388591318.db2.gz JBDQWARJUQXTQG-JTQLQIEISA-N 1 2 236.275 1.137 20 30 BDEDLO N#CCCOCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000549802097 388591321 /nfs/dbraw/zinc/59/13/21/388591321.db2.gz JBDQWARJUQXTQG-JTQLQIEISA-N 1 2 236.275 1.137 20 30 BDEDLO N#CC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 ZINC000528784042 388572975 /nfs/dbraw/zinc/57/29/75/388572975.db2.gz OJFBCNUKCPQKOI-OHUAYANFSA-N 1 2 238.356 1.276 20 30 BDEDLO N#CC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 ZINC000528784042 388572976 /nfs/dbraw/zinc/57/29/76/388572976.db2.gz OJFBCNUKCPQKOI-OHUAYANFSA-N 1 2 238.356 1.276 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528790700 388573641 /nfs/dbraw/zinc/57/36/41/388573641.db2.gz MYBXBTMPRKMHAR-JTQLQIEISA-N 1 2 218.260 1.233 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528790700 388573643 /nfs/dbraw/zinc/57/36/43/388573643.db2.gz MYBXBTMPRKMHAR-JTQLQIEISA-N 1 2 218.260 1.233 20 30 BDEDLO CN(C)c1ccc(Nc2ccc(C#N)nn2)c[nH+]1 ZINC000301926877 388616672 /nfs/dbraw/zinc/61/66/72/388616672.db2.gz MZUMKLPPXLOCJY-UHFFFAOYSA-N 1 2 240.270 1.553 20 30 BDEDLO CCC1(CC)C[N@H+](CCCC#N)CC[S@@]1=O ZINC000185257319 388585260 /nfs/dbraw/zinc/58/52/60/388585260.db2.gz XFPMOXSEXFNEIP-INIZCTEOSA-N 1 2 242.388 1.913 20 30 BDEDLO CCC1(CC)C[N@@H+](CCCC#N)CC[S@@]1=O ZINC000185257319 388585263 /nfs/dbraw/zinc/58/52/63/388585263.db2.gz XFPMOXSEXFNEIP-INIZCTEOSA-N 1 2 242.388 1.913 20 30 BDEDLO C[NH2+]Cc1noc(CCc2ccc(C#N)cc2)n1 ZINC000414643992 388666446 /nfs/dbraw/zinc/66/64/46/388666446.db2.gz NVWRBALGGYULOG-UHFFFAOYSA-N 1 2 242.282 1.446 20 30 BDEDLO CCc1cc(C[NH2+]Cc2nc(C#N)cs2)on1 ZINC000518622955 388663472 /nfs/dbraw/zinc/66/34/72/388663472.db2.gz LNAIISBVPHREPI-UHFFFAOYSA-N 1 2 248.311 1.855 20 30 BDEDLO C[C@@H]1OCC[N@H+](Cc2ccc(C#N)o2)[C@H]1C ZINC000093418052 388742862 /nfs/dbraw/zinc/74/28/62/388742862.db2.gz VLUQBZUIDWTUKQ-UWVGGRQHSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@@H]1OCC[N@@H+](Cc2ccc(C#N)o2)[C@H]1C ZINC000093418052 388742863 /nfs/dbraw/zinc/74/28/63/388742863.db2.gz VLUQBZUIDWTUKQ-UWVGGRQHSA-N 1 2 220.272 1.760 20 30 BDEDLO CCc1nc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000541023052 388836277 /nfs/dbraw/zinc/83/62/77/388836277.db2.gz LKGOSQAHXGEYEW-UHFFFAOYSA-N 1 2 234.303 1.758 20 30 BDEDLO 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C[C@@]1(C#N)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000598416013 398031145 /nfs/dbraw/zinc/03/11/45/398031145.db2.gz YTUWJXZMMZCDPF-LBPRGKRZSA-N 1 2 232.287 1.104 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)C1CC1 ZINC000491407693 398040535 /nfs/dbraw/zinc/04/05/35/398040535.db2.gz SEBJSKJQAVTNPB-UHFFFAOYSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@H+](CC(=O)N(CC(C)C)C1CC1)C1CC1 ZINC000491407693 398040539 /nfs/dbraw/zinc/04/05/39/398040539.db2.gz SEBJSKJQAVTNPB-UHFFFAOYSA-N 1 2 248.370 1.731 20 30 BDEDLO N#CCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000054171802 397972527 /nfs/dbraw/zinc/97/25/27/397972527.db2.gz OWFOAVFPWQRKTN-UHFFFAOYSA-N 1 2 235.253 1.470 20 30 BDEDLO CC[C@H]1C[N@H+](CC#CCOC)[C@@H](C)CO1 ZINC000649736019 398077974 /nfs/dbraw/zinc/07/79/74/398077974.db2.gz VAAKSTMNCSZOBC-RYUDHWBXSA-N 1 2 211.305 1.136 20 30 BDEDLO CC[C@H]1C[N@@H+](CC#CCOC)[C@@H](C)CO1 ZINC000649736019 398077977 /nfs/dbraw/zinc/07/79/77/398077977.db2.gz VAAKSTMNCSZOBC-RYUDHWBXSA-N 1 2 211.305 1.136 20 30 BDEDLO 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410102535 /nfs/dbraw/zinc/10/25/35/410102535.db2.gz AYWRCARMCGVQAM-UHFFFAOYSA-N 1 2 241.298 1.721 20 30 BDEDLO N#CCCN(Cc1c[nH]c[nH+]1)Cc1ccccn1 ZINC000093100489 410102538 /nfs/dbraw/zinc/10/25/38/410102538.db2.gz AYWRCARMCGVQAM-UHFFFAOYSA-N 1 2 241.298 1.721 20 30 BDEDLO COCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067142 410173460 /nfs/dbraw/zinc/17/34/60/410173460.db2.gz DHEBXYMXTBKLEU-UHFFFAOYSA-N 1 2 242.706 1.818 20 30 BDEDLO C=CC[N@H+](Cc1nc(C)no1)[C@H](C)COC ZINC000661240278 410398965 /nfs/dbraw/zinc/39/89/65/410398965.db2.gz MQLAOIZPXSPYJY-SECBINFHSA-N 1 2 225.292 1.401 20 30 BDEDLO C=CC[N@@H+](Cc1nc(C)no1)[C@H](C)COC ZINC000661240278 410398970 /nfs/dbraw/zinc/39/89/70/410398970.db2.gz MQLAOIZPXSPYJY-SECBINFHSA-N 1 2 225.292 1.401 20 30 BDEDLO C=CCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000661274884 410444193 /nfs/dbraw/zinc/44/41/93/410444193.db2.gz DWIPZVGRHQVILQ-SNVBAGLBSA-N 1 2 236.319 1.839 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1 ZINC000266931799 166167884 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/nfs/dbraw/zinc/47/10/96/411471096.db2.gz HFOUZSZPMMTYPD-SNVBAGLBSA-N 1 2 233.315 1.765 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654986279 411471172 /nfs/dbraw/zinc/47/11/72/411471172.db2.gz BLNFNOYAWXRKLF-SNVBAGLBSA-N 1 2 221.304 1.623 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654986279 411471175 /nfs/dbraw/zinc/47/11/75/411471175.db2.gz BLNFNOYAWXRKLF-SNVBAGLBSA-N 1 2 221.304 1.623 20 30 BDEDLO C=CCCOCC(=O)NCc1[nH+]ccn1CC ZINC000655126579 411499805 /nfs/dbraw/zinc/49/98/05/411499805.db2.gz CGUWVXPMRNHFAE-UHFFFAOYSA-N 1 2 237.303 1.112 20 30 BDEDLO C=CCCn1cc(C[NH2+]CC2(N(C)C)CC2)nn1 ZINC000657493214 411534596 /nfs/dbraw/zinc/53/45/96/411534596.db2.gz AHCNQJUYPZWYAZ-UHFFFAOYSA-N 1 2 249.362 1.038 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC000660219351 411555510 /nfs/dbraw/zinc/55/55/10/411555510.db2.gz CBPKPPWCHBILBP-SECBINFHSA-N 1 2 208.309 1.936 20 30 BDEDLO C=C(C)C[N@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC000660219351 411555511 /nfs/dbraw/zinc/55/55/11/411555511.db2.gz CBPKPPWCHBILBP-SECBINFHSA-N 1 2 208.309 1.936 20 30 BDEDLO CCOC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000297487836 170337225 /nfs/dbraw/zinc/33/72/25/170337225.db2.gz SVFOIOIGQWTBRP-UHFFFAOYSA-N 1 2 216.284 1.779 20 30 BDEDLO C=CCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000660326892 411569292 /nfs/dbraw/zinc/56/92/92/411569292.db2.gz ZDPGZMWGBPXRGQ-UHFFFAOYSA-N 1 2 248.330 1.523 20 30 BDEDLO C=CC[N@H+](Cc1cn(C)cn1)[C@H](C)COC ZINC000661239452 411740844 /nfs/dbraw/zinc/74/08/44/411740844.db2.gz GJWXTLSMAQLRRQ-LLVKDONJSA-N 1 2 223.320 1.443 20 30 BDEDLO C=CC[N@@H+](Cc1cn(C)cn1)[C@H](C)COC ZINC000661239452 411740847 /nfs/dbraw/zinc/74/08/47/411740847.db2.gz GJWXTLSMAQLRRQ-LLVKDONJSA-N 1 2 223.320 1.443 20 30 BDEDLO Cc1nc(N(C)C)nc(NCC2(CC#N)CC2)[nH+]1 ZINC000516945563 411766647 /nfs/dbraw/zinc/76/66/47/411766647.db2.gz PYTOFHWJEABPSE-UHFFFAOYSA-N 1 2 246.318 1.352 20 30 BDEDLO Cc1nc(NCC2(CC#N)CC2)nc(N(C)C)[nH+]1 ZINC000516945563 411766650 /nfs/dbraw/zinc/76/66/50/411766650.db2.gz PYTOFHWJEABPSE-UHFFFAOYSA-N 1 2 246.318 1.352 20 30 BDEDLO C=CCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000661570736 411806240 /nfs/dbraw/zinc/80/62/40/411806240.db2.gz RMHSTVBRBGMOQA-LLVKDONJSA-N 1 2 248.330 1.495 20 30 BDEDLO C=CCCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000631124609 411835381 /nfs/dbraw/zinc/83/53/81/411835381.db2.gz ZLEDNILQZOYXIS-UHFFFAOYSA-N 1 2 207.281 1.165 20 30 BDEDLO C=CCCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000631124609 411835383 /nfs/dbraw/zinc/83/53/83/411835383.db2.gz ZLEDNILQZOYXIS-UHFFFAOYSA-N 1 2 207.281 1.165 20 30 BDEDLO C=CCOCCCNc1cc[nH+]c(C)n1 ZINC000664385505 411936946 /nfs/dbraw/zinc/93/69/46/411936946.db2.gz JLDWWIYSEZHXGX-UHFFFAOYSA-N 1 2 207.277 1.790 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NCc1c[nH+]ccc1OC ZINC000294651150 171162076 /nfs/dbraw/zinc/16/20/76/171162076.db2.gz QVHFEHHYQNDGNW-ZDUSSCGKSA-N 1 2 247.298 1.646 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](CCC)CC(F)F ZINC000662686670 412270518 /nfs/dbraw/zinc/27/05/18/412270518.db2.gz 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PNVFVIVGIJHXBC-LLVKDONJSA-N 1 2 228.295 1.969 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000191151904 177260520 /nfs/dbraw/zinc/26/05/20/177260520.db2.gz HMTNCDUSWJARNQ-PHIMTYICSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000191151904 177260522 /nfs/dbraw/zinc/26/05/22/177260522.db2.gz HMTNCDUSWJARNQ-PHIMTYICSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000130816650 177292918 /nfs/dbraw/zinc/29/29/18/177292918.db2.gz FTCMMSKJHYKZMZ-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000130816650 177292919 /nfs/dbraw/zinc/29/29/19/177292919.db2.gz FTCMMSKJHYKZMZ-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO N#Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492867391 226069687 /nfs/dbraw/zinc/06/96/87/226069687.db2.gz RFUOSYFQHKWQQM-SNAWJCMRSA-N 1 2 238.250 1.933 20 30 BDEDLO N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000493040679 226108485 /nfs/dbraw/zinc/10/84/85/226108485.db2.gz TVOCHLSUCDWURB-ARJAWSKDSA-N 1 2 230.271 1.375 20 30 BDEDLO Cc1cc(NC[C@H](CO)C(C)C)c(C#N)c[nH+]1 ZINC000398980001 262773339 /nfs/dbraw/zinc/77/33/39/262773339.db2.gz FKYZDKMHALWXSQ-GFCCVEGCSA-N 1 2 233.315 1.360 20 30 BDEDLO CCn1ncc(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000527734897 262877804 /nfs/dbraw/zinc/87/78/04/262877804.db2.gz LRLHLGLCIFFZGP-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO Cc1cc(NC[C@H]2CC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000398963483 267299993 /nfs/dbraw/zinc/29/99/93/267299993.db2.gz OWHORXDLWYYMQN-JQWIXIFHSA-N 1 2 231.299 1.257 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CCC(C)C)C(=O)OC ZINC000839167487 585095364 /nfs/dbraw/zinc/09/53/64/585095364.db2.gz FCZSGTWGCBOIFF-VXGBXAGGSA-N 1 2 225.332 1.966 20 30 BDEDLO C=CCCOCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000682041068 487776938 /nfs/dbraw/zinc/77/69/38/487776938.db2.gz JPPVHSLJCLSWMJ-JTQLQIEISA-N 1 2 237.303 1.570 20 30 BDEDLO Cc1ccnc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000591767848 487798099 /nfs/dbraw/zinc/79/80/99/487798099.db2.gz SNWICHVMVTZAKQ-GFCCVEGCSA-N 1 2 228.299 1.923 20 30 BDEDLO CC#CC[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000681778497 487861620 /nfs/dbraw/zinc/86/16/20/487861620.db2.gz UJHHVOQXWKEJNN-LLVKDONJSA-N 1 2 232.331 1.678 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676956941 487950215 /nfs/dbraw/zinc/95/02/15/487950215.db2.gz IGHFPEIAZGNQLG-MNOVXSKESA-N 1 2 248.330 1.492 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676956941 487950221 /nfs/dbraw/zinc/95/02/21/487950221.db2.gz IGHFPEIAZGNQLG-MNOVXSKESA-N 1 2 248.330 1.492 20 30 BDEDLO COCC[C@@H](C)[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615636861 487955372 /nfs/dbraw/zinc/95/53/72/487955372.db2.gz CIIFRGOJOXETEF-NXEZZACHSA-N 1 2 200.257 1.349 20 30 BDEDLO COCC[C@@H](C)[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615636861 487955376 /nfs/dbraw/zinc/95/53/76/487955376.db2.gz CIIFRGOJOXETEF-NXEZZACHSA-N 1 2 200.257 1.349 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000570056085 323048699 /nfs/dbraw/zinc/04/86/99/323048699.db2.gz BIESJXUXLCSIHN-IONNQARKSA-N 1 2 207.281 1.456 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000570056084 323048778 /nfs/dbraw/zinc/04/87/78/323048778.db2.gz BIESJXUXLCSIHN-CBAPKCEASA-N 1 2 207.281 1.456 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)c2[nH+]ccn21 ZINC000570985763 323102965 /nfs/dbraw/zinc/10/29/65/323102965.db2.gz NNPDWZKZWVHOQB-RKDXNWHRSA-N 1 2 240.270 1.085 20 30 BDEDLO C=CC[C@H](CO)CNc1nc(C)[nH+]cc1C ZINC000563428269 323125130 /nfs/dbraw/zinc/12/51/30/323125130.db2.gz VSLMRFRVUAOWSG-NSHDSACASA-N 1 2 221.304 1.112 20 30 BDEDLO Cc1nn(C)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000545926841 323135824 /nfs/dbraw/zinc/13/58/24/323135824.db2.gz AFTRKKZXJPUZKN-UHFFFAOYSA-N 1 2 241.298 1.802 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000571500890 323146238 /nfs/dbraw/zinc/14/62/38/323146238.db2.gz ZBRHMHJZAOPIFV-UHFFFAOYSA-N 1 2 234.255 1.460 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000192228595 323178665 /nfs/dbraw/zinc/17/86/65/323178665.db2.gz MHKDVORCMZFTPI-CQSZACIVSA-N 1 2 242.322 1.571 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000192228595 323178666 /nfs/dbraw/zinc/17/86/66/323178666.db2.gz MHKDVORCMZFTPI-CQSZACIVSA-N 1 2 242.322 1.571 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000051830804 323191651 /nfs/dbraw/zinc/19/16/51/323191651.db2.gz CIOYDWNDMWHMCY-UHFFFAOYSA-N 1 2 242.322 1.007 20 30 BDEDLO Cc1cc(NC(=O)N(C)CCC#N)c(C)c[nH+]1 ZINC000536619813 323198904 /nfs/dbraw/zinc/19/89/04/323198904.db2.gz DINQYDAONXYVEK-UHFFFAOYSA-N 1 2 232.287 1.498 20 30 BDEDLO C[C@@H](C#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563958771 323331862 /nfs/dbraw/zinc/33/18/62/323331862.db2.gz AWKJOXGOUZGYQV-UWVGGRQHSA-N 1 2 220.276 1.205 20 30 BDEDLO C=CCN(C(=O)N[C@H](C)c1[nH+]ccn1C)C1CC1 ZINC000667252594 487962185 /nfs/dbraw/zinc/96/21/85/487962185.db2.gz LCDQQMCZOQJFRW-SNVBAGLBSA-N 1 2 248.330 1.841 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000542691637 325042284 /nfs/dbraw/zinc/04/22/84/325042284.db2.gz ZAJBNVKXNPGMPJ-SNVBAGLBSA-N 1 2 241.298 1.721 20 30 BDEDLO COCC[N@H+](CCC(C)(C)C#N)CC(=O)OC ZINC000131595438 325167829 /nfs/dbraw/zinc/16/78/29/325167829.db2.gz PBDSTAUOIVXGJJ-UHFFFAOYSA-N 1 2 242.319 1.048 20 30 BDEDLO COCC[N@@H+](CCC(C)(C)C#N)CC(=O)OC ZINC000131595438 325167831 /nfs/dbraw/zinc/16/78/31/325167831.db2.gz PBDSTAUOIVXGJJ-UHFFFAOYSA-N 1 2 242.319 1.048 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccccc1[N+](=O)[O-] ZINC000076185952 325335349 /nfs/dbraw/zinc/33/53/49/325335349.db2.gz AADIAPYKVWDJFE-UHFFFAOYSA-N 1 2 228.251 1.663 20 30 BDEDLO COCCn1cc2c(n1)[C@H]([NH2+]CCC#N)CCC2 ZINC000566131575 326001263 /nfs/dbraw/zinc/00/12/63/326001263.db2.gz NVIRZGZYTYPAQN-GFCCVEGCSA-N 1 2 248.330 1.410 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C#N)ccn12 ZINC000566687344 326074709 /nfs/dbraw/zinc/07/47/09/326074709.db2.gz KNFPFLVAIHGMAV-VIFPVBQESA-N 1 2 242.282 1.532 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000566805286 326085213 /nfs/dbraw/zinc/08/52/13/326085213.db2.gz OQZBUBGVIJTJST-NXEZZACHSA-N 1 2 234.303 1.834 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CCO)c1ccco1 ZINC000567048743 326104407 /nfs/dbraw/zinc/10/44/07/326104407.db2.gz PJKUWDBJVJKYFT-VXGBXAGGSA-N 1 2 247.298 1.736 20 30 BDEDLO CC[C@H](CC#N)[NH2+]C[C@@H](C#N)CCC#N ZINC000568181105 326321034 /nfs/dbraw/zinc/32/10/34/326321034.db2.gz KUAVEMHERBHNDX-GHMZBOCLSA-N 1 2 204.277 1.712 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1(C)CC1 ZINC000569226906 326396171 /nfs/dbraw/zinc/39/61/71/326396171.db2.gz PSATVJOTPMOCLD-GFCCVEGCSA-N 1 2 223.320 1.137 20 30 BDEDLO COCC#CC[N@@H+]1CCOc2ccccc2C1 ZINC000677818201 488133444 /nfs/dbraw/zinc/13/34/44/488133444.db2.gz HHTCUQYGCBTGFB-UHFFFAOYSA-N 1 2 231.295 1.531 20 30 BDEDLO COCC#CC[N@H+]1CCOc2ccccc2C1 ZINC000677818201 488133447 /nfs/dbraw/zinc/13/34/47/488133447.db2.gz HHTCUQYGCBTGFB-UHFFFAOYSA-N 1 2 231.295 1.531 20 30 BDEDLO C=CCN(CC=C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000673932643 487484037 /nfs/dbraw/zinc/48/40/37/487484037.db2.gz DEFLWOVJLNUZCI-UHFFFAOYSA-N 1 2 241.298 1.841 20 30 BDEDLO C=C(C)C[NH+]1CCN(c2ncns2)CC1 ZINC000660698862 487509637 /nfs/dbraw/zinc/50/96/37/487509637.db2.gz AAJRDEBUKLMMNG-UHFFFAOYSA-N 1 2 224.333 1.236 20 30 BDEDLO CCC[C@H]1C[N@H+](CC#CCOC)CCO1 ZINC000677819621 487515901 /nfs/dbraw/zinc/51/59/01/487515901.db2.gz GECREGMCVHPCEP-LBPRGKRZSA-N 1 2 211.305 1.137 20 30 BDEDLO CCC[C@H]1C[N@@H+](CC#CCOC)CCO1 ZINC000677819621 487515907 /nfs/dbraw/zinc/51/59/07/487515907.db2.gz GECREGMCVHPCEP-LBPRGKRZSA-N 1 2 211.305 1.137 20 30 BDEDLO CN(CC#Cc1ccccc1)Cc1[nH]cc[nH+]1 ZINC000685411802 487517665 /nfs/dbraw/zinc/51/76/65/487517665.db2.gz AWMREQSDLFXZCS-UHFFFAOYSA-N 1 2 225.295 1.893 20 30 BDEDLO CC#CCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149749 488165447 /nfs/dbraw/zinc/16/54/47/488165447.db2.gz WRJMMQDOTHBVSP-LBPRGKRZSA-N 1 2 245.326 1.508 20 30 BDEDLO C=CCC(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627372377 488182269 /nfs/dbraw/zinc/18/22/69/488182269.db2.gz KWYIBHQOXRZFET-UHFFFAOYSA-N 1 2 233.315 1.897 20 30 BDEDLO C=CCC(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627372377 488182273 /nfs/dbraw/zinc/18/22/73/488182273.db2.gz KWYIBHQOXRZFET-UHFFFAOYSA-N 1 2 233.315 1.897 20 30 BDEDLO C=CCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000684154578 488269759 /nfs/dbraw/zinc/26/97/59/488269759.db2.gz GZCWSSPDLSAIRM-NSHDSACASA-N 1 2 233.315 1.528 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000595620829 491079555 /nfs/dbraw/zinc/07/95/55/491079555.db2.gz RGYHKPZXCVBHEK-SNVBAGLBSA-N 1 2 231.303 1.015 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2nccc(N)n2)C1 ZINC000595620829 491079557 /nfs/dbraw/zinc/07/95/57/491079557.db2.gz RGYHKPZXCVBHEK-SNVBAGLBSA-N 1 2 231.303 1.015 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000491641101 491079637 /nfs/dbraw/zinc/07/96/37/491079637.db2.gz ZXFHFWJPGOSOOS-UWVGGRQHSA-N 1 2 248.153 1.904 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000491641101 491079638 /nfs/dbraw/zinc/07/96/38/491079638.db2.gz ZXFHFWJPGOSOOS-UWVGGRQHSA-N 1 2 248.153 1.904 20 30 BDEDLO C[C@H](CNc1ccc(C#N)nn1)Cn1cc[nH+]c1 ZINC000301856798 491092138 /nfs/dbraw/zinc/09/21/38/491092138.db2.gz ZIBSTRUXNXDUMG-SNVBAGLBSA-N 1 2 242.286 1.293 20 30 BDEDLO C=CCN(CC=C)C(=O)NCCCn1cc[nH+]c1 ZINC000079065375 491094472 /nfs/dbraw/zinc/09/44/72/491094472.db2.gz KHVPKKSQDUCMFQ-UHFFFAOYSA-N 1 2 248.330 1.657 20 30 BDEDLO C=C1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000653174263 491127997 /nfs/dbraw/zinc/12/79/97/491127997.db2.gz YPDLSWVZBGHNRB-SNVBAGLBSA-N 1 2 237.328 1.322 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000307257894 534440072 /nfs/dbraw/zinc/44/00/72/534440072.db2.gz BPCDHMZWKUYBCO-JTQLQIEISA-N 1 2 201.697 1.850 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000307257894 534440085 /nfs/dbraw/zinc/44/00/85/534440085.db2.gz BPCDHMZWKUYBCO-JTQLQIEISA-N 1 2 201.697 1.850 20 30 BDEDLO C=C1CC[NH+](CC2(CS(C)(=O)=O)CC2)CC1 ZINC000348040277 534466599 /nfs/dbraw/zinc/46/65/99/534466599.db2.gz GZPRFRHLUAVAQN-UHFFFAOYSA-N 1 2 243.372 1.463 20 30 BDEDLO C=C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339167802 534478833 /nfs/dbraw/zinc/47/88/33/534478833.db2.gz LKYUCJOSCPOLTJ-SECBINFHSA-N 1 2 207.277 1.043 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000362368990 534646785 /nfs/dbraw/zinc/64/67/85/534646785.db2.gz DODQLTDTKARYCR-UWVGGRQHSA-N 1 2 222.292 1.145 20 30 BDEDLO C=CCCCC(=O)Nc1cc[nH+]cc1O ZINC000358361075 534656396 /nfs/dbraw/zinc/65/63/96/534656396.db2.gz WDRCGPDLRYLPOU-UHFFFAOYSA-N 1 2 206.245 1.504 20 30 BDEDLO C=CCCCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000365833039 534667721 /nfs/dbraw/zinc/66/77/21/534667721.db2.gz DURAAYKDJXVXPR-LBPRGKRZSA-N 1 2 247.342 1.979 20 30 BDEDLO C=C[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000291076470 534685277 /nfs/dbraw/zinc/68/52/77/534685277.db2.gz HQXOPVLXVXWTFC-SECBINFHSA-N 1 2 205.261 1.313 20 30 BDEDLO C=CCCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000076738331 534708418 /nfs/dbraw/zinc/70/84/18/534708418.db2.gz CDSDSHTUGMKEDS-UHFFFAOYSA-N 1 2 246.314 1.421 20 30 BDEDLO C=CCCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000076738331 534708419 /nfs/dbraw/zinc/70/84/19/534708419.db2.gz CDSDSHTUGMKEDS-UHFFFAOYSA-N 1 2 246.314 1.421 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cn2cccnc2n1 ZINC000120278119 534830194 /nfs/dbraw/zinc/83/01/94/534830194.db2.gz ZXAQRXZUZJXJRZ-UHFFFAOYSA-N 1 2 228.299 1.903 20 30 BDEDLO C=CCOCC[N@@H+]([C@@H](C)C(=O)OCC)C1CC1 ZINC000339120038 534877545 /nfs/dbraw/zinc/87/75/45/534877545.db2.gz YGYLUDFGPCJPQT-NSHDSACASA-N 1 2 241.331 1.605 20 30 BDEDLO C=CCOCC[N@H+]([C@@H](C)C(=O)OCC)C1CC1 ZINC000339120038 534877549 /nfs/dbraw/zinc/87/75/49/534877549.db2.gz YGYLUDFGPCJPQT-NSHDSACASA-N 1 2 241.331 1.605 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000491777948 526882644 /nfs/dbraw/zinc/88/26/44/526882644.db2.gz GVVSTNUCNINEOY-UHFFFAOYSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000491777948 526882649 /nfs/dbraw/zinc/88/26/49/526882649.db2.gz GVVSTNUCNINEOY-UHFFFAOYSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178252330 526955434 /nfs/dbraw/zinc/95/54/34/526955434.db2.gz XCLZSBAAAZQCAJ-VIFPVBQESA-N 1 2 220.238 1.188 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000491638620 527214913 /nfs/dbraw/zinc/21/49/13/527214913.db2.gz ZLLIIDDFAKVSSM-OLZOCXBDSA-N 1 2 236.359 1.792 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000491638620 527214916 /nfs/dbraw/zinc/21/49/16/527214916.db2.gz ZLLIIDDFAKVSSM-OLZOCXBDSA-N 1 2 236.359 1.792 20 30 BDEDLO C#C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(C)(C)C ZINC000491630606 527379582 /nfs/dbraw/zinc/37/95/82/527379582.db2.gz NCCVFHCGFCUSJY-JTQLQIEISA-N 1 2 247.342 1.851 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C(=O)OC)C1CC1)C(C)C ZINC000301004730 527412799 /nfs/dbraw/zinc/41/27/99/527412799.db2.gz XREMCIPJJAMAPR-QWRGUYRKSA-N 1 2 209.289 1.185 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000494641138 527572563 /nfs/dbraw/zinc/57/25/63/527572563.db2.gz DNUSDGNHSCNADN-UHFFFAOYSA-N 1 2 246.310 1.103 20 30 BDEDLO C=CC[N@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000494641138 527572572 /nfs/dbraw/zinc/57/25/72/527572572.db2.gz DNUSDGNHSCNADN-UHFFFAOYSA-N 1 2 246.310 1.103 20 30 BDEDLO C=CCN(CC=C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493163803 527598808 /nfs/dbraw/zinc/59/88/08/527598808.db2.gz VYDSCFBNTAXAOL-AATRIKPKSA-N 1 2 217.272 1.624 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493546259 528611745 /nfs/dbraw/zinc/61/17/45/528611745.db2.gz DQWCFNMKRKVSOQ-YEZKRMTDSA-N 1 2 232.287 1.431 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904654 528836238 /nfs/dbraw/zinc/83/62/38/528836238.db2.gz XKRJRNGUCSZMED-MOVJSRMASA-N 1 2 218.260 1.231 20 30 BDEDLO CCOC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000227352758 535426170 /nfs/dbraw/zinc/42/61/70/535426170.db2.gz UNTKRQRVGKIIHQ-SNVBAGLBSA-N 1 2 224.304 1.564 20 30 BDEDLO CN(CCC#N)c1[nH+]cnc2[nH]ccc21 ZINC000268070590 536302350 /nfs/dbraw/zinc/30/23/50/536302350.db2.gz DVTKMVAJACURAV-UHFFFAOYSA-N 1 2 201.233 1.308 20 30 BDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H](C#N)CCC#N ZINC000305780775 536416321 /nfs/dbraw/zinc/41/63/21/536416321.db2.gz TYBSCYNUHCWOJX-RKDXNWHRSA-N 1 2 249.236 1.285 20 30 BDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H](C#N)CCC#N ZINC000305780775 536416328 /nfs/dbraw/zinc/41/63/28/536416328.db2.gz TYBSCYNUHCWOJX-RKDXNWHRSA-N 1 2 249.236 1.285 20 30 BDEDLO COC(=O)C1=C(C)O[C@H](C[N@H+](C)CCC#N)C1 ZINC000270672685 536436369 /nfs/dbraw/zinc/43/63/69/536436369.db2.gz RRFTZUCOCRHFHP-JTQLQIEISA-N 1 2 238.287 1.068 20 30 BDEDLO COC(=O)C1=C(C)O[C@H](C[N@@H+](C)CCC#N)C1 ZINC000270672685 536436371 /nfs/dbraw/zinc/43/63/71/536436371.db2.gz RRFTZUCOCRHFHP-JTQLQIEISA-N 1 2 238.287 1.068 20 30 BDEDLO COC[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000234737165 536876167 /nfs/dbraw/zinc/87/61/67/536876167.db2.gz KWPIEQUCQOJDGB-LBPRGKRZSA-N 1 2 204.273 1.877 20 30 BDEDLO C#C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H]1CCCO1 ZINC000775792355 583104418 /nfs/dbraw/zinc/10/44/18/583104418.db2.gz FSWLHFLDCVLQNA-FRRDWIJNSA-N 1 2 231.299 1.200 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](C)[C@H](C)CC#N)C1(F)F ZINC000894001209 583271193 /nfs/dbraw/zinc/27/11/93/583271193.db2.gz DZZQWFILDHZINX-HLTSFMKQSA-N 1 2 246.257 1.275 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)[C@H](C)CC#N)C1(F)F ZINC000894001209 583271196 /nfs/dbraw/zinc/27/11/96/583271196.db2.gz DZZQWFILDHZINX-HLTSFMKQSA-N 1 2 246.257 1.275 20 30 BDEDLO N#CCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000894082719 583295612 /nfs/dbraw/zinc/29/56/12/583295612.db2.gz GUHDGNOVSSNWJY-UHFFFAOYSA-N 1 2 204.277 1.611 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)nn1 ZINC000877320480 583311645 /nfs/dbraw/zinc/31/16/45/583311645.db2.gz IRGRHRKTNQUBON-ZETCQYMHSA-N 1 2 210.668 1.522 20 30 BDEDLO FC(F)CNN=Cc1c[nH+]c2n1CCC2 ZINC000853309974 588731790 /nfs/dbraw/zinc/73/17/90/588731790.db2.gz AYZMUBJWTMGVFT-UHFFFAOYSA-N 1 2 214.219 1.018 20 30 BDEDLO C=C[C@H](C)ON=Cc1c[nH+]c2n1CCC2 ZINC000853369733 588738470 /nfs/dbraw/zinc/73/84/70/588738470.db2.gz RIDDQCLMQQWZLG-VIFPVBQESA-N 1 2 205.261 1.754 20 30 BDEDLO Cc1[nH+]cc(C=NOCC(F)F)n1C ZINC000853333790 588734156 /nfs/dbraw/zinc/73/41/56/588734156.db2.gz SBIZWNIJZSMKLX-UHFFFAOYSA-N 1 2 203.192 1.344 20 30 BDEDLO CSCCON=Cc1c[nH+]c2n1CCC2 ZINC000853341806 588735430 /nfs/dbraw/zinc/73/54/30/588735430.db2.gz WBAUNHQCTXCBCC-UHFFFAOYSA-N 1 2 225.317 1.543 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@@H](C)C(F)(F)F)n1C ZINC000853354122 588737355 /nfs/dbraw/zinc/73/73/55/588737355.db2.gz WDMWDVVVTKNFCC-LURJTMIESA-N 1 2 234.225 1.603 20 30 BDEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853536323 588748007 /nfs/dbraw/zinc/74/80/07/588748007.db2.gz AHJPOCXNAYYZFM-LLVKDONJSA-N 1 2 237.303 1.390 20 30 BDEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853536323 588748008 /nfs/dbraw/zinc/74/80/08/588748008.db2.gz AHJPOCXNAYYZFM-LLVKDONJSA-N 1 2 237.303 1.390 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111696211 588767570 /nfs/dbraw/zinc/76/75/70/588767570.db2.gz IRNPGWFRFDYCKO-NSHDSACASA-N 1 2 242.750 1.826 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111696211 588767571 /nfs/dbraw/zinc/76/75/71/588767571.db2.gz IRNPGWFRFDYCKO-NSHDSACASA-N 1 2 242.750 1.826 20 30 BDEDLO C#CCCc1noc(Cc2c[nH+]ccc2C)n1 ZINC000854031380 588772214 /nfs/dbraw/zinc/77/22/14/588772214.db2.gz OCRUJEFUUSPMMI-UHFFFAOYSA-N 1 2 227.267 1.930 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000854219051 588779909 /nfs/dbraw/zinc/77/99/09/588779909.db2.gz CASWMESLOATFDB-MRVPVSSYSA-N 1 2 224.264 1.057 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000854219051 588779910 /nfs/dbraw/zinc/77/99/10/588779910.db2.gz CASWMESLOATFDB-MRVPVSSYSA-N 1 2 224.264 1.057 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000890554393 582474059 /nfs/dbraw/zinc/47/40/59/582474059.db2.gz OJSLFCDVNQGKEW-SECBINFHSA-N 1 2 205.261 1.129 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000890557547 582477175 /nfs/dbraw/zinc/47/71/75/582477175.db2.gz BCOBGMJDJPZLIW-GFCCVEGCSA-N 1 2 233.315 1.840 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000890557550 582477308 /nfs/dbraw/zinc/47/73/08/582477308.db2.gz BEHDNNWVXAPDRP-NSHDSACASA-N 1 2 219.288 1.450 20 30 BDEDLO C=CCCCN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000890809947 582572127 /nfs/dbraw/zinc/57/21/27/582572127.db2.gz IDZLLKARCWIEIU-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000846546264 582656474 /nfs/dbraw/zinc/65/64/74/582656474.db2.gz AVUYVXLBMLDGIQ-UWVGGRQHSA-N 1 2 235.287 1.068 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782631209 582928523 /nfs/dbraw/zinc/92/85/23/582928523.db2.gz FOJWAFZCSCUTCN-OCCSQVGLSA-N 1 2 246.285 1.512 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782631209 582928526 /nfs/dbraw/zinc/92/85/26/582928526.db2.gz FOJWAFZCSCUTCN-OCCSQVGLSA-N 1 2 246.285 1.512 20 30 BDEDLO CC[C@@H](CO)Nc1cc(NCCCC#N)[nH+]cn1 ZINC000893129078 583053949 /nfs/dbraw/zinc/05/39/49/583053949.db2.gz WGIDINOABZYIKK-JTQLQIEISA-N 1 2 249.318 1.375 20 30 BDEDLO CC[C@@H](CO)Nc1cc(NCCCC#N)nc[nH+]1 ZINC000893129078 583053952 /nfs/dbraw/zinc/05/39/52/583053952.db2.gz WGIDINOABZYIKK-JTQLQIEISA-N 1 2 249.318 1.375 20 30 BDEDLO C=CC[N@H+](CN1CC[C@@H](C)C1=O)[C@H](C)COC ZINC000853534577 583058089 /nfs/dbraw/zinc/05/80/89/583058089.db2.gz KAYYZLPIFJVSGO-VXGBXAGGSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@@H+](CN1CC[C@@H](C)C1=O)[C@H](C)COC ZINC000853534577 583058090 /nfs/dbraw/zinc/05/80/90/583058090.db2.gz KAYYZLPIFJVSGO-VXGBXAGGSA-N 1 2 240.347 1.335 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000854693368 583090595 /nfs/dbraw/zinc/09/05/95/583090595.db2.gz QWZVLBUXPBDVQB-MFKMUULPSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000854693368 583090598 /nfs/dbraw/zinc/09/05/98/583090598.db2.gz QWZVLBUXPBDVQB-MFKMUULPSA-N 1 2 233.315 1.506 20 30 BDEDLO C=CCCONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000856031470 583113015 /nfs/dbraw/zinc/11/30/15/583113015.db2.gz QLOWMQKFOUXYLR-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO Cc1cc(C[NH2+]C[C@H](C)C#N)cnc1F ZINC000893544047 583160168 /nfs/dbraw/zinc/16/01/68/583160168.db2.gz ITDMIEDOOUMBSF-MRVPVSSYSA-N 1 2 207.252 1.778 20 30 BDEDLO COc1nccc(C[NH2+]C[C@H](C)C#N)c1F ZINC000893544538 583160268 /nfs/dbraw/zinc/16/02/68/583160268.db2.gz LQBCMFPZUOJBTB-MRVPVSSYSA-N 1 2 223.251 1.479 20 30 BDEDLO Cc1ccc(CCC=NN2CCC[C@H]2CO)c[nH+]1 ZINC000841659308 583162070 /nfs/dbraw/zinc/16/20/70/583162070.db2.gz GTSZZFFQZQMVTN-AWEZNQCLSA-N 1 2 247.342 1.765 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1Cl ZINC000857038661 588883653 /nfs/dbraw/zinc/88/36/53/588883653.db2.gz BEKJQPOYMNXROG-SSDOTTSWSA-N 1 2 212.684 1.323 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000878514674 583377971 /nfs/dbraw/zinc/37/79/71/583377971.db2.gz ZJNXLSHYDNXDFL-UHFFFAOYSA-N 1 2 233.315 1.866 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000878514674 583377973 /nfs/dbraw/zinc/37/79/73/583377973.db2.gz ZJNXLSHYDNXDFL-UHFFFAOYSA-N 1 2 233.315 1.866 20 30 BDEDLO C=CC[N@H+](CCc1ccccc1)CN1CCC1=O ZINC000857231672 588897107 /nfs/dbraw/zinc/89/71/07/588897107.db2.gz BNTMCMLOPHJVAV-UHFFFAOYSA-N 1 2 244.338 1.907 20 30 BDEDLO C=CC[N@@H+](CCc1ccccc1)CN1CCC1=O ZINC000857231672 588897108 /nfs/dbraw/zinc/89/71/08/588897108.db2.gz BNTMCMLOPHJVAV-UHFFFAOYSA-N 1 2 244.338 1.907 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894384491 583442925 /nfs/dbraw/zinc/44/29/25/583442925.db2.gz SYBNTAQSBWFYMC-MRVPVSSYSA-N 1 2 209.318 1.773 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ncccc2Cl)c1 ZINC000794498039 583600653 /nfs/dbraw/zinc/60/06/53/583600653.db2.gz XUAAEZXTGPSTLT-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO CN(C)c1ccc(C=[NH+]Nc2cncnc2)cc1 ZINC000794979441 583634905 /nfs/dbraw/zinc/63/49/05/583634905.db2.gz HKUWMXHGBFKNPU-UHFFFAOYSA-N 1 2 241.298 1.989 20 30 BDEDLO Cn1cc(C[NH+]2CC(CC#N)C2)c(C2CC2)n1 ZINC000895344128 583655100 /nfs/dbraw/zinc/65/51/00/583655100.db2.gz MAHWHIITNIOSMR-UHFFFAOYSA-N 1 2 230.315 1.643 20 30 BDEDLO N#CCC1C[NH+](Cc2ccnn2C2CCC2)C1 ZINC000895344115 583655180 /nfs/dbraw/zinc/65/51/80/583655180.db2.gz LZJVUMCEZFNBHV-UHFFFAOYSA-N 1 2 230.315 1.954 20 30 BDEDLO C=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895473716 583679314 /nfs/dbraw/zinc/67/93/14/583679314.db2.gz KXOJAVPGXPKAQH-LLVKDONJSA-N 1 2 234.303 1.092 20 30 BDEDLO C=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895473716 583679316 /nfs/dbraw/zinc/67/93/16/583679316.db2.gz KXOJAVPGXPKAQH-LLVKDONJSA-N 1 2 234.303 1.092 20 30 BDEDLO C=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000895473716 583679318 /nfs/dbraw/zinc/67/93/18/583679318.db2.gz KXOJAVPGXPKAQH-LLVKDONJSA-N 1 2 234.303 1.092 20 30 BDEDLO C=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895473716 583679319 /nfs/dbraw/zinc/67/93/19/583679319.db2.gz KXOJAVPGXPKAQH-LLVKDONJSA-N 1 2 234.303 1.092 20 30 BDEDLO C#CC1(F)CN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000895616879 583697142 /nfs/dbraw/zinc/69/71/42/583697142.db2.gz RIRJTTXURALBRX-UHFFFAOYSA-N 1 2 248.257 1.010 20 30 BDEDLO C#C[C@H](CCC)NC(=O)NCc1cn(C)c[nH+]1 ZINC000895688888 583706937 /nfs/dbraw/zinc/70/69/37/583706937.db2.gz DGAICYMUMGHUSH-SNVBAGLBSA-N 1 2 234.303 1.021 20 30 BDEDLO COCC1C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000895969876 583755643 /nfs/dbraw/zinc/75/56/43/583755643.db2.gz QBAWNYSWNPNFED-UHFFFAOYSA-N 1 2 234.274 1.776 20 30 BDEDLO CCC[C@@H](O)CCNc1cc(C)[nH+]cc1C#N ZINC000896186680 583781198 /nfs/dbraw/zinc/78/11/98/583781198.db2.gz RELIUVWDJJBAGX-GFCCVEGCSA-N 1 2 233.315 1.647 20 30 BDEDLO C=CCCc1noc(C2([NH+](C)C)CC2)n1 ZINC000896386475 583798246 /nfs/dbraw/zinc/79/82/46/583798246.db2.gz LDSWQKDWJBLMJA-UHFFFAOYSA-N 1 2 207.277 1.739 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896506925 583808316 /nfs/dbraw/zinc/80/83/16/583808316.db2.gz WHRWNDYYQFLOJI-NSHDSACASA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896506925 583808317 /nfs/dbraw/zinc/80/83/17/583808317.db2.gz WHRWNDYYQFLOJI-NSHDSACASA-N 1 2 218.304 1.464 20 30 BDEDLO C=C1CC(c2noc(Cc3c[nH+]cn3C)n2)C1 ZINC000896877464 583844406 /nfs/dbraw/zinc/84/44/06/583844406.db2.gz RUOMAYGTBFHVJM-UHFFFAOYSA-N 1 2 230.271 1.828 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@H+](CC)CCO3)n2)C1 ZINC000896877425 583844561 /nfs/dbraw/zinc/84/45/61/583844561.db2.gz QSRNNXLLIVLNOJ-NSHDSACASA-N 1 2 249.314 1.896 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@@H+](CC)CCO3)n2)C1 ZINC000896877425 583844563 /nfs/dbraw/zinc/84/45/63/583844563.db2.gz QSRNNXLLIVLNOJ-NSHDSACASA-N 1 2 249.314 1.896 20 30 BDEDLO C[C@@]1(C[N@@H+]2CCO[C@@](C)(C#N)C2)CCCS1 ZINC000897586260 584022170 /nfs/dbraw/zinc/02/21/70/584022170.db2.gz JTOWLFPSADQQAA-RYUDHWBXSA-N 1 2 240.372 1.887 20 30 BDEDLO C[C@@]1(C[N@H+]2CCO[C@@](C)(C#N)C2)CCCS1 ZINC000897586260 584022171 /nfs/dbraw/zinc/02/21/71/584022171.db2.gz JTOWLFPSADQQAA-RYUDHWBXSA-N 1 2 240.372 1.887 20 30 BDEDLO OCCCNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000729932536 584030364 /nfs/dbraw/zinc/03/03/64/584030364.db2.gz DYYQZIOSIOIBLN-UHFFFAOYSA-N 1 2 244.298 1.178 20 30 BDEDLO CC#CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897861018 584059216 /nfs/dbraw/zinc/05/92/16/584059216.db2.gz BPDOACSBIFFRIB-UHFFFAOYSA-N 1 2 233.315 1.408 20 30 BDEDLO C#CC1(O)C[NH+](Cc2ccnc3ccccc23)C1 ZINC000898143459 584085931 /nfs/dbraw/zinc/08/59/31/584085931.db2.gz FYFQJEZFEIGOBI-UHFFFAOYSA-N 1 2 238.290 1.415 20 30 BDEDLO C#CC1(O)C[NH+]([C@H](C)Cc2ccsc2)C1 ZINC000898144437 584086520 /nfs/dbraw/zinc/08/65/20/584086520.db2.gz ITWVAEWGCKCCDA-SNVBAGLBSA-N 1 2 221.325 1.359 20 30 BDEDLO C#CC1(O)C[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000898144569 584086563 /nfs/dbraw/zinc/08/65/63/584086563.db2.gz LGTWLKYTUGOQPW-UHFFFAOYSA-N 1 2 226.279 1.348 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccn1 ZINC000730104355 584123493 /nfs/dbraw/zinc/12/34/93/584123493.db2.gz PRZXGEITYPEKCN-LBPRGKRZSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccn1 ZINC000730104355 584123494 /nfs/dbraw/zinc/12/34/94/584123494.db2.gz PRZXGEITYPEKCN-LBPRGKRZSA-N 1 2 243.310 1.426 20 30 BDEDLO N#C[C@]1(F)CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858506307 588961428 /nfs/dbraw/zinc/96/14/28/588961428.db2.gz GHQZUXGLKYFNPK-LLVKDONJSA-N 1 2 221.235 1.016 20 30 BDEDLO N#Cc1csc(C[NH2+]C/C=C/Cl)n1 ZINC000898426824 584131914 /nfs/dbraw/zinc/13/19/14/584131914.db2.gz AFPLPCJJIKMIRR-OWOJBTEDSA-N 1 2 213.693 1.857 20 30 BDEDLO C=C1CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000898705879 584153180 /nfs/dbraw/zinc/15/31/80/584153180.db2.gz OWPSCWNMDPAUSB-LLVKDONJSA-N 1 2 231.299 1.152 20 30 BDEDLO COC(=O)C[C@H](C)/[NH+]=C\c1ccccc1O ZINC000899233219 584183578 /nfs/dbraw/zinc/18/35/78/584183578.db2.gz FKYBWLODJWRULA-LMRAXHDRSA-N 1 2 221.256 1.763 20 30 BDEDLO CCn1c[nH+]c(/C=C2\S/C(=N/C)NC2=O)c1 ZINC000899387389 584208945 /nfs/dbraw/zinc/20/89/45/584208945.db2.gz ZUWZJMPUGYDETN-YWEYNIOJSA-N 1 2 236.300 1.093 20 30 BDEDLO CCn1c[nH+]c(/C=C2/S/C(=N/C)NC2=O)c1 ZINC000899387388 584209052 /nfs/dbraw/zinc/20/90/52/584209052.db2.gz ZUWZJMPUGYDETN-XBXARRHUSA-N 1 2 236.300 1.093 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2cccc(CC)c2)C1 ZINC000899900056 584248785 /nfs/dbraw/zinc/24/87/85/584248785.db2.gz HNYQUTACGJPYTL-AWEZNQCLSA-N 1 2 247.338 1.861 20 30 BDEDLO C=C1C[NH+](C[C@H](O)C[C@H](O)c2ccccc2)C1 ZINC000899900367 584249444 /nfs/dbraw/zinc/24/94/44/584249444.db2.gz OZIXBYXJUOSUEP-KGLIPLIRSA-N 1 2 233.311 1.343 20 30 BDEDLO CCN(CCC#N)C(=O)CNc1cccc[nH+]1 ZINC000900325363 584294931 /nfs/dbraw/zinc/29/49/31/584294931.db2.gz BTIMWUDZKBZXIO-UHFFFAOYSA-N 1 2 232.287 1.256 20 30 BDEDLO CC(C)N(CCC#N)C(=O)CNc1cccc[nH+]1 ZINC000900469683 584314568 /nfs/dbraw/zinc/31/45/68/584314568.db2.gz KTACTWGRGBNWPQ-UHFFFAOYSA-N 1 2 246.314 1.644 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(CC)[nH+]cn1 ZINC000858856686 588979252 /nfs/dbraw/zinc/97/92/52/588979252.db2.gz GYOXRGAHKDVYJW-LBPRGKRZSA-N 1 2 233.315 1.879 20 30 BDEDLO C=CCCOCCNC(=O)CNc1cccc[nH+]1 ZINC000901212237 584400687 /nfs/dbraw/zinc/40/06/87/584400687.db2.gz CNCVZMBSPSFKSM-UHFFFAOYSA-N 1 2 249.314 1.202 20 30 BDEDLO Cc1cc(C=NNC[C@@H](C)O)c2c([nH+]1)CCCC2 ZINC000901247903 584408614 /nfs/dbraw/zinc/40/86/14/584408614.db2.gz NTGVQHOMIFBMTB-LLVKDONJSA-N 1 2 247.342 1.573 20 30 BDEDLO CC(=[NH+]N[C@H]1CCCSC1)c1c[nH]c(N)n1 ZINC000901277553 584413240 /nfs/dbraw/zinc/41/32/40/584413240.db2.gz DDBOLBDXPYOZHD-QMMMGPOBSA-N 1 2 239.348 1.201 20 30 BDEDLO Cc1[nH+]cc(C=Nn2nnc3c2CCCC3)n1C ZINC000901328986 584424020 /nfs/dbraw/zinc/42/40/20/584424020.db2.gz QPEWCMQBBFSGLK-UHFFFAOYSA-N 1 2 244.302 1.081 20 30 BDEDLO CC1(C=[NH+]n2nnc3c2CCCC3)CC1 ZINC000901330946 584424602 /nfs/dbraw/zinc/42/46/02/584424602.db2.gz FSSSOHSZAMBJQV-UHFFFAOYSA-N 1 2 204.277 1.791 20 30 BDEDLO C=CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000901313128 584428366 /nfs/dbraw/zinc/42/83/66/584428366.db2.gz BNDRFSPDPGSAOH-UHFFFAOYSA-N 1 2 205.261 1.129 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1nccn1C ZINC000901474263 584448290 /nfs/dbraw/zinc/44/82/90/584448290.db2.gz LQUFBNIQBGGNIR-PLNGDYQASA-N 1 2 230.271 1.533 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccnn1C ZINC000901499198 584455035 /nfs/dbraw/zinc/45/50/35/584455035.db2.gz MYHSPYGIRGZDDZ-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO Cn1c[nH+]cc1/C=C1/CCn2nccc2C1=O ZINC000901543067 584459842 /nfs/dbraw/zinc/45/98/42/584459842.db2.gz KLRHFRDKVDNSEO-TWGQIWQCSA-N 1 2 228.255 1.287 20 30 BDEDLO Cn1ccc(C(=O)/C=C\c2cn(C3CC3)c[nH+]2)n1 ZINC000901544395 584464040 /nfs/dbraw/zinc/46/40/40/584464040.db2.gz UUUDQBAJPORPLE-DJWKRKHSSA-N 1 2 242.282 1.848 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@]1(C)CCCCO1)C(=O)OC ZINC000901606903 584468664 /nfs/dbraw/zinc/46/86/64/584468664.db2.gz YACFIJIKXVRGLO-DGCLKSJQSA-N 1 2 241.331 1.653 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)C(=O)OC ZINC000901630296 584470730 /nfs/dbraw/zinc/47/07/30/584470730.db2.gz IPGWHVJCWCJIER-FOGDFJRCSA-N 1 2 209.289 1.494 20 30 BDEDLO C=CCC[N@@H+](C)Cn1ncc2sccc2c1=O ZINC000902236491 584543037 /nfs/dbraw/zinc/54/30/37/584543037.db2.gz ZAYSARBIHVVWSU-UHFFFAOYSA-N 1 2 249.339 1.923 20 30 BDEDLO C=CCC[N@H+](C)Cn1ncc2sccc2c1=O ZINC000902236491 584543038 /nfs/dbraw/zinc/54/30/38/584543038.db2.gz ZAYSARBIHVVWSU-UHFFFAOYSA-N 1 2 249.339 1.923 20 30 BDEDLO CCn1c[nH+]c(CNCc2nc(C#N)cs2)c1 ZINC000902677902 584652696 /nfs/dbraw/zinc/65/26/96/584652696.db2.gz MJHONTDQISQTSP-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO C=CCCC[N@@H+](CC)Cn1nc(C)oc1=O ZINC000902669297 584654121 /nfs/dbraw/zinc/65/41/21/584654121.db2.gz JYDRZKAHLICIJW-UHFFFAOYSA-N 1 2 225.292 1.390 20 30 BDEDLO C=CCCC[N@H+](CC)Cn1nc(C)oc1=O ZINC000902669297 584654123 /nfs/dbraw/zinc/65/41/23/584654123.db2.gz JYDRZKAHLICIJW-UHFFFAOYSA-N 1 2 225.292 1.390 20 30 BDEDLO C[C@@H](C#N)OCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781236 584670087 /nfs/dbraw/zinc/67/00/87/584670087.db2.gz KQBKQBYYXRBISM-JTQLQIEISA-N 1 2 245.282 1.881 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](F)C1 ZINC000902990462 584709194 /nfs/dbraw/zinc/70/91/94/584709194.db2.gz CNKCBWUTSLBKOX-NXEZZACHSA-N 1 2 215.268 1.538 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](F)C1 ZINC000902990462 584709195 /nfs/dbraw/zinc/70/91/95/584709195.db2.gz CNKCBWUTSLBKOX-NXEZZACHSA-N 1 2 215.268 1.538 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902994563 584712356 /nfs/dbraw/zinc/71/23/56/584712356.db2.gz FMJRQVHUCXNTEN-QWRGUYRKSA-N 1 2 226.295 1.207 20 30 BDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902994563 584712357 /nfs/dbraw/zinc/71/23/57/584712357.db2.gz FMJRQVHUCXNTEN-QWRGUYRKSA-N 1 2 226.295 1.207 20 30 BDEDLO N#CC1(C[NH2+][C@H]2CCn3ccnc32)CCC1 ZINC000903035385 584718894 /nfs/dbraw/zinc/71/88/94/584718894.db2.gz NUAFNAPVZMZBBQ-JTQLQIEISA-N 1 2 216.288 1.611 20 30 BDEDLO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cccc(C#N)c1O ZINC000903394105 584756925 /nfs/dbraw/zinc/75/69/25/584756925.db2.gz ZKGLWXNWNRYRRF-KWBADKCTSA-N 1 2 246.310 1.949 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000904214621 584856461 /nfs/dbraw/zinc/85/64/61/584856461.db2.gz GMTSUTTUUZRCMA-RKDXNWHRSA-N 1 2 223.276 1.531 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000904214621 584856464 /nfs/dbraw/zinc/85/64/64/584856464.db2.gz GMTSUTTUUZRCMA-RKDXNWHRSA-N 1 2 223.276 1.531 20 30 BDEDLO CC1(C/[NH+]=C/c2cccc(O)c2O)COC1 ZINC000732926298 584942029 /nfs/dbraw/zinc/94/20/29/584942029.db2.gz LPPISKDUMJRKRP-WLRTZDKTSA-N 1 2 221.256 1.553 20 30 BDEDLO C#CC(C)(C)NC(=O)CCCn1cc[nH+]c1 ZINC000733976463 584955497 /nfs/dbraw/zinc/95/54/97/584955497.db2.gz DSOTZSDONCSMEW-UHFFFAOYSA-N 1 2 219.288 1.191 20 30 BDEDLO N#Cc1cccc(-n2c[nH+]c(CCCO)c2)n1 ZINC000755907971 585000299 /nfs/dbraw/zinc/00/02/99/585000299.db2.gz ABHLMWIULGQEKA-UHFFFAOYSA-N 1 2 228.255 1.064 20 30 BDEDLO C#CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000738919916 585054154 /nfs/dbraw/zinc/05/41/54/585054154.db2.gz MDPHHTAMLZANAC-UHFFFAOYSA-N 1 2 228.255 1.397 20 30 BDEDLO C#CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948158 585054656 /nfs/dbraw/zinc/05/46/56/585054656.db2.gz FSWMOTQPXFKTAX-UHFFFAOYSA-N 1 2 214.228 1.089 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C(=O)OC ZINC000839167620 585095255 /nfs/dbraw/zinc/09/52/55/585095255.db2.gz GYIBMKABXIZRNW-WDEREUQCSA-N 1 2 225.332 1.966 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CCC1CC1)C(=O)OC ZINC000839166987 585095325 /nfs/dbraw/zinc/09/53/25/585095325.db2.gz CCEAKZRYRTXCJT-ZYHUDNBSSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCCC)C(=O)OC ZINC000839167467 585095475 /nfs/dbraw/zinc/09/54/75/585095475.db2.gz DVZGAPYTOVMASU-QWRGUYRKSA-N 1 2 211.305 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CCc1ccco1)C(=O)OC ZINC000839167222 585095494 /nfs/dbraw/zinc/09/54/94/585095494.db2.gz CYYIXHHAELSGKQ-DGCLKSJQSA-N 1 2 249.310 1.755 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCCCC1)C(=O)OC ZINC000839167671 585095562 /nfs/dbraw/zinc/09/55/62/585095562.db2.gz GAUVQCPYJOQDQW-LLVKDONJSA-N 1 2 209.289 1.474 20 30 BDEDLO C#CC[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000839168345 585095657 /nfs/dbraw/zinc/09/56/57/585095657.db2.gz LDKYEAQKSRYCIJ-NSHDSACASA-N 1 2 221.300 1.474 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H]1CC)C(=O)OC ZINC000839168109 585095895 /nfs/dbraw/zinc/09/58/95/585095895.db2.gz JOBMJQJSOWKVDE-VWYCJHECSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(=O)OC ZINC000839169958 585095919 /nfs/dbraw/zinc/09/59/19/585095919.db2.gz VDPJNFAVUSNRKN-AXFHLTTASA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@H]([NH2+]CC1(SC)CCC1)C(=O)OC ZINC000839169673 585096157 /nfs/dbraw/zinc/09/61/57/585096157.db2.gz UZOUAQFWIHANLO-JTQLQIEISA-N 1 2 241.356 1.427 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000839169435 585096207 /nfs/dbraw/zinc/09/62/07/585096207.db2.gz RHZPBLIXMPRCBK-MNOVXSKESA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](CC)CCC=C)C(=O)OC ZINC000839169231 585096250 /nfs/dbraw/zinc/09/62/50/585096250.db2.gz QCOZCSFUBYRSKW-RYUDHWBXSA-N 1 2 223.316 1.886 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000839186110 585096754 /nfs/dbraw/zinc/09/67/54/585096754.db2.gz AFDFJCRQYVZRGT-LBPRGKRZSA-N 1 2 217.268 1.226 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000839186110 585096755 /nfs/dbraw/zinc/09/67/55/585096755.db2.gz AFDFJCRQYVZRGT-LBPRGKRZSA-N 1 2 217.268 1.226 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(OC)c1O ZINC000839186211 585096878 /nfs/dbraw/zinc/09/68/78/585096878.db2.gz BTRDUPLTLAPKIV-GFCCVEGCSA-N 1 2 247.294 1.235 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(OC)c1O ZINC000839186211 585096879 /nfs/dbraw/zinc/09/68/79/585096879.db2.gz BTRDUPLTLAPKIV-GFCCVEGCSA-N 1 2 247.294 1.235 20 30 BDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)NC ZINC000746448629 585168074 /nfs/dbraw/zinc/16/80/74/585168074.db2.gz BXNQGGFTKKBOGC-UHFFFAOYSA-N 1 2 248.301 1.245 20 30 BDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)NC ZINC000746448629 585168075 /nfs/dbraw/zinc/16/80/75/585168075.db2.gz BXNQGGFTKKBOGC-UHFFFAOYSA-N 1 2 248.301 1.245 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000747393083 585178527 /nfs/dbraw/zinc/17/85/27/585178527.db2.gz CKVCTBRADKXUFW-CYBMUJFWSA-N 1 2 246.354 1.344 20 30 BDEDLO C[C@H]1C[N@H+](CC/N=C/c2ccccc2O)CCO1 ZINC000750950381 585222989 /nfs/dbraw/zinc/22/29/89/585222989.db2.gz UDXIPORJGRKFCX-XBUHWIKASA-N 1 2 248.326 1.532 20 30 BDEDLO C[C@H]1C[N@@H+](CC/N=C/c2ccccc2O)CCO1 ZINC000750950381 585222990 /nfs/dbraw/zinc/22/29/90/585222990.db2.gz UDXIPORJGRKFCX-XBUHWIKASA-N 1 2 248.326 1.532 20 30 BDEDLO C#C[C@H](CC)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000752940678 585251651 /nfs/dbraw/zinc/25/16/51/585251651.db2.gz NLQOKMIKZPYJTP-SNVBAGLBSA-N 1 2 247.346 1.885 20 30 BDEDLO C#C[C@H](CC)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000752940678 585251652 /nfs/dbraw/zinc/25/16/52/585251652.db2.gz NLQOKMIKZPYJTP-SNVBAGLBSA-N 1 2 247.346 1.885 20 30 BDEDLO C#CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000753982042 585274140 /nfs/dbraw/zinc/27/41/40/585274140.db2.gz QLNLQAWHMKZQGF-UHFFFAOYSA-N 1 2 232.283 1.299 20 30 BDEDLO Cc1ccc2[nH+]cc(C=Nn3cnnc3)n2c1 ZINC000755464117 585299881 /nfs/dbraw/zinc/29/98/81/585299881.db2.gz QRLSNCOZCWHVSK-UHFFFAOYSA-N 1 2 226.243 1.116 20 30 BDEDLO Clc1cncc(N=NCc2c[nH+]c[nH]2)n1 ZINC000755640182 585303025 /nfs/dbraw/zinc/30/30/25/585303025.db2.gz LNIMDDXLFHPSDQ-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Clc1cncc(N=NCc2c[nH]c[nH+]2)n1 ZINC000755640182 585303026 /nfs/dbraw/zinc/30/30/26/585303026.db2.gz LNIMDDXLFHPSDQ-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000755648604 585303139 /nfs/dbraw/zinc/30/31/39/585303139.db2.gz IXOGQHJOJYJYCW-UHFFFAOYSA-N 1 2 246.230 1.169 20 30 BDEDLO CN(C)c1ncc(C=[NH+]NCC(F)F)s1 ZINC000755739366 585305298 /nfs/dbraw/zinc/30/52/98/585305298.db2.gz LGTXDRWXCIAENO-UHFFFAOYSA-N 1 2 234.275 1.398 20 30 BDEDLO COCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000759613609 585377057 /nfs/dbraw/zinc/37/70/57/585377057.db2.gz YAWRTISJLZWBOK-UHFFFAOYSA-N 1 2 226.251 1.499 20 30 BDEDLO C#CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000760349282 585391081 /nfs/dbraw/zinc/39/10/81/585391081.db2.gz YNDNAFXKUYKSJQ-UHFFFAOYSA-N 1 2 206.220 1.486 20 30 BDEDLO NC(=[NH+]OCC1CC1)c1ccc(F)cc1 ZINC000763171181 585443989 /nfs/dbraw/zinc/44/39/89/585443989.db2.gz DFAFEFSXDRZSHU-UHFFFAOYSA-N 1 2 208.236 1.873 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763672753 585451842 /nfs/dbraw/zinc/45/18/42/585451842.db2.gz AYMNZCWIPGDCAM-VHSXEESVSA-N 1 2 222.288 1.174 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763672753 585451843 /nfs/dbraw/zinc/45/18/43/585451843.db2.gz AYMNZCWIPGDCAM-VHSXEESVSA-N 1 2 222.288 1.174 20 30 BDEDLO C=CC[N@H+](Cc1nnnn1C(C)(C)C)C(C)C ZINC000766109349 585497441 /nfs/dbraw/zinc/49/74/41/585497441.db2.gz NBLPAPSDEWQVNI-UHFFFAOYSA-N 1 2 237.351 1.825 20 30 BDEDLO C=CC[N@@H+](Cc1nnnn1C(C)(C)C)C(C)C ZINC000766109349 585497442 /nfs/dbraw/zinc/49/74/42/585497442.db2.gz NBLPAPSDEWQVNI-UHFFFAOYSA-N 1 2 237.351 1.825 20 30 BDEDLO C#CCCCO[NH+]=C(N)c1ccccc1 ZINC000766740717 585507731 /nfs/dbraw/zinc/50/77/31/585507731.db2.gz DZVDEGGPISNBLD-UHFFFAOYSA-N 1 2 202.257 1.947 20 30 BDEDLO C#CCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000767949758 585528907 /nfs/dbraw/zinc/52/89/07/585528907.db2.gz XYAPRLZKTXTMQE-UHFFFAOYSA-N 1 2 231.299 1.655 20 30 BDEDLO N#C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCN1C1CC1 ZINC000768532217 585539916 /nfs/dbraw/zinc/53/99/16/585539916.db2.gz HTLMVXIKRREVNM-TZMCWYRMSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCN1C1CC1 ZINC000768532217 585539917 /nfs/dbraw/zinc/53/99/17/585539917.db2.gz HTLMVXIKRREVNM-TZMCWYRMSA-N 1 2 249.358 1.085 20 30 BDEDLO C[C@@H](C#N)CNC(=O)c1cccc2[nH+]ccn21 ZINC000770417433 585574121 /nfs/dbraw/zinc/57/41/21/585574121.db2.gz WPVIDEDZKFHPPG-VIFPVBQESA-N 1 2 228.255 1.224 20 30 BDEDLO C=CCCCC(=O)OCCn1cc[nH+]c1 ZINC000771983480 585606067 /nfs/dbraw/zinc/60/60/67/585606067.db2.gz INMIKQAYYBAEPP-UHFFFAOYSA-N 1 2 208.261 1.783 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2=CCCCCC2)CC1 ZINC000772923200 585627615 /nfs/dbraw/zinc/62/76/15/585627615.db2.gz GWSYWTDIZXZYQX-UHFFFAOYSA-N 1 2 246.354 1.654 20 30 BDEDLO COCCON=CCCc1ccc(C)[nH+]c1 ZINC000774387941 585657142 /nfs/dbraw/zinc/65/71/42/585657142.db2.gz LCULIMJKAABZLV-UHFFFAOYSA-N 1 2 222.288 1.971 20 30 BDEDLO C#CC[N@@H+](Cc1cc(Cl)n(C)n1)C1CC1 ZINC000859252712 589024260 /nfs/dbraw/zinc/02/42/60/589024260.db2.gz RGHFIGZRFHMRHP-UHFFFAOYSA-N 1 2 223.707 1.671 20 30 BDEDLO C#CC[N@H+](Cc1cc(Cl)n(C)n1)C1CC1 ZINC000859252712 589024262 /nfs/dbraw/zinc/02/42/62/589024262.db2.gz RGHFIGZRFHMRHP-UHFFFAOYSA-N 1 2 223.707 1.671 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCO1 ZINC000775343246 585676240 /nfs/dbraw/zinc/67/62/40/585676240.db2.gz VPHJARCTSNLKHO-LSDHHAIUSA-N 1 2 240.306 1.829 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(C)no1)[C@H]1CCCO1 ZINC000775795699 585685264 /nfs/dbraw/zinc/68/52/64/585685264.db2.gz PJRIKOIFKLVNPD-INTQDDNPSA-N 1 2 235.287 1.209 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C)o1)[C@H]1CCCO1 ZINC000775793451 585685309 /nfs/dbraw/zinc/68/53/09/585685309.db2.gz KVNWEKDRFZIPFW-VXGBXAGGSA-N 1 2 234.299 1.562 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(C)o1)[C@@H]1CCCO1 ZINC000775808065 585685511 /nfs/dbraw/zinc/68/55/11/585685511.db2.gz XUDLZNMATIUFEM-SRVKXCTJSA-N 1 2 234.299 1.814 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000776467342 585698906 /nfs/dbraw/zinc/69/89/06/585698906.db2.gz SWVUIHOQMDTRDX-OLZOCXBDSA-N 1 2 234.343 1.200 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1cc(Cl)ccn1 ZINC000777907591 585723734 /nfs/dbraw/zinc/72/37/34/585723734.db2.gz WVTOJKDZFZERRP-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO C=CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000779859532 585769204 /nfs/dbraw/zinc/76/92/04/585769204.db2.gz LBYHSKKGQZWMIW-UHFFFAOYSA-N 1 2 238.291 1.954 20 30 BDEDLO C=CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000779859532 585769205 /nfs/dbraw/zinc/76/92/05/585769205.db2.gz LBYHSKKGQZWMIW-UHFFFAOYSA-N 1 2 238.291 1.954 20 30 BDEDLO COc1ccc(NN=Cc2c[nH+]cn2C)nc1 ZINC000780268887 585776397 /nfs/dbraw/zinc/77/63/97/585776397.db2.gz MOHXOVQSYGOYDN-UHFFFAOYSA-N 1 2 231.259 1.270 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2ccccc2F)cn1 ZINC000781587312 585799806 /nfs/dbraw/zinc/79/98/06/585799806.db2.gz WCBMBXSRMJQLQG-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2ccc(Cl)nc2)cn1 ZINC000781593128 585799952 /nfs/dbraw/zinc/79/99/52/585799952.db2.gz RXEXLUKKBFTING-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO Nc1ncc(C=[NH+]NCc2cccc(F)c2)cn1 ZINC000781590185 585800012 /nfs/dbraw/zinc/80/00/12/585800012.db2.gz UNPRVIPGHDUDEE-UHFFFAOYSA-N 1 2 245.261 1.322 20 30 BDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000782591474 585821389 /nfs/dbraw/zinc/82/13/89/585821389.db2.gz MDEWMOQNGOFQMW-NSHDSACASA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(C#N)c1 ZINC000782591474 585821390 /nfs/dbraw/zinc/82/13/90/585821390.db2.gz MDEWMOQNGOFQMW-NSHDSACASA-N 1 2 243.310 1.221 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784453317 585860194 /nfs/dbraw/zinc/86/01/94/585860194.db2.gz JFIRTHXVIGECNR-ZRVMKQEGSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784453317 585860195 /nfs/dbraw/zinc/86/01/95/585860195.db2.gz JFIRTHXVIGECNR-ZRVMKQEGSA-N 1 2 236.315 1.731 20 30 BDEDLO C=CC[N@@H+](Cc1ncnn1CC)C(C)C ZINC000785655965 585877338 /nfs/dbraw/zinc/87/73/38/585877338.db2.gz BUADVONKSRKUEG-UHFFFAOYSA-N 1 2 208.309 1.694 20 30 BDEDLO C=CC[N@H+](Cc1ncnn1CC)C(C)C ZINC000785655965 585877339 /nfs/dbraw/zinc/87/73/39/585877339.db2.gz BUADVONKSRKUEG-UHFFFAOYSA-N 1 2 208.309 1.694 20 30 BDEDLO C#CCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000788779143 585930464 /nfs/dbraw/zinc/93/04/64/585930464.db2.gz VIQYPMDUHQKEGM-LBPRGKRZSA-N 1 2 241.298 1.292 20 30 BDEDLO C#CCC(C)(C)C(=O)OCCCc1[nH+]ccn1C ZINC000810701028 585958858 /nfs/dbraw/zinc/95/88/58/585958858.db2.gz AEWYPGYRGQTRNS-UHFFFAOYSA-N 1 2 248.326 1.945 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(C#N)cc1F ZINC000790300613 585962866 /nfs/dbraw/zinc/96/28/66/585962866.db2.gz WNIFQLKIEZKPIR-UHFFFAOYSA-N 1 2 243.245 1.877 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cnccc1C ZINC000790302619 585963013 /nfs/dbraw/zinc/96/30/13/585963013.db2.gz WAAZUJSORVYXDF-UHFFFAOYSA-N 1 2 229.287 1.960 20 30 BDEDLO O=[N+]([O-])c1c(F)cccc1N=NCc1c[nH+]c[nH]1 ZINC000790307554 585963395 /nfs/dbraw/zinc/96/33/95/585963395.db2.gz ZBSJAYQPBQSSRB-UHFFFAOYSA-N 1 2 249.205 1.903 20 30 BDEDLO O=[N+]([O-])c1c(F)cccc1N=NCc1c[nH]c[nH+]1 ZINC000790307554 585963396 /nfs/dbraw/zinc/96/33/96/585963396.db2.gz ZBSJAYQPBQSSRB-UHFFFAOYSA-N 1 2 249.205 1.903 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859281840 589027118 /nfs/dbraw/zinc/02/71/18/589027118.db2.gz XVQSDTNNRHTMHK-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859281840 589027120 /nfs/dbraw/zinc/02/71/20/589027120.db2.gz XVQSDTNNRHTMHK-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO C[C@@H](NN=Cc1c[nH+]cn1C)C(C)(C)C ZINC000793112040 586010547 /nfs/dbraw/zinc/01/05/47/586010547.db2.gz NVQBRPVGARVCAP-SECBINFHSA-N 1 2 208.309 1.778 20 30 BDEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000793419798 586019064 /nfs/dbraw/zinc/01/90/64/586019064.db2.gz XSJAHKPTDYGBQI-UHFFFAOYSA-N 1 2 221.304 1.765 20 30 BDEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000793419798 586019065 /nfs/dbraw/zinc/01/90/65/586019065.db2.gz XSJAHKPTDYGBQI-UHFFFAOYSA-N 1 2 221.304 1.765 20 30 BDEDLO CC[C@@H]1CC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000793807468 586026623 /nfs/dbraw/zinc/02/66/23/586026623.db2.gz AQYZUTRMPRDACQ-LLVKDONJSA-N 1 2 217.272 1.162 20 30 BDEDLO CC[C@@H]1CC[N@H+]1Cn1cccc(C#N)c1=O ZINC000793807468 586026624 /nfs/dbraw/zinc/02/66/24/586026624.db2.gz AQYZUTRMPRDACQ-LLVKDONJSA-N 1 2 217.272 1.162 20 30 BDEDLO NC(=[NH+]O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000794517503 586041442 /nfs/dbraw/zinc/04/14/42/586041442.db2.gz DAVNURXFQMMJLR-SNVBAGLBSA-N 1 2 224.235 1.252 20 30 BDEDLO C[N@H+](CCCC#N)[C@@H]1CC(C)(C)OC1=O ZINC000795660762 586090423 /nfs/dbraw/zinc/09/04/23/586090423.db2.gz ARUOPNRPRYPTEV-SECBINFHSA-N 1 2 210.277 1.316 20 30 BDEDLO C[N@@H+](CCCC#N)[C@@H]1CC(C)(C)OC1=O ZINC000795660762 586090424 /nfs/dbraw/zinc/09/04/24/586090424.db2.gz ARUOPNRPRYPTEV-SECBINFHSA-N 1 2 210.277 1.316 20 30 BDEDLO CCC(CC)[NH2+]NC1=CC(=O)N2CCC[C@@H]12 ZINC000799480288 586178862 /nfs/dbraw/zinc/17/88/62/586178862.db2.gz IXOZVEZHVXMLPS-NSHDSACASA-N 1 2 223.320 1.515 20 30 BDEDLO CC[C@@H](C)[NH2+]NC1=CC(=O)N2CCCC[C@@H]12 ZINC000799485906 586180131 /nfs/dbraw/zinc/18/01/31/586180131.db2.gz PIKZBTGJIYIPOE-KOLCDFICSA-N 1 2 223.320 1.515 20 30 BDEDLO CC#CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000801150204 586243389 /nfs/dbraw/zinc/24/33/89/586243389.db2.gz NHFAARUMSNAXGO-LLVKDONJSA-N 1 2 217.272 1.070 20 30 BDEDLO Nc1ccc(C=[NH+]Nc2cccc(F)n2)cn1 ZINC000807987405 586455513 /nfs/dbraw/zinc/45/55/13/586455513.db2.gz KVPANGCVHKZJKB-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO C(=NN[C@@H]1CCSC1)c1cccc2[nH+]ccn21 ZINC000808001040 586457887 /nfs/dbraw/zinc/45/78/87/586457887.db2.gz FHTCBXYVFSYPJC-SNVBAGLBSA-N 1 2 246.339 1.763 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000808753904 586487776 /nfs/dbraw/zinc/48/77/76/586487776.db2.gz BFWREWDBZMRYHA-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000808753904 586487777 /nfs/dbraw/zinc/48/77/77/586487777.db2.gz BFWREWDBZMRYHA-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO CCCO[NH+]=Cc1sc(N(C)C)nc1OC ZINC000842565682 586494455 /nfs/dbraw/zinc/49/44/55/586494455.db2.gz KWFXOTGYDPSYMR-UHFFFAOYSA-N 1 2 243.332 1.978 20 30 BDEDLO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)CC#N ZINC000809571198 586507166 /nfs/dbraw/zinc/50/71/66/586507166.db2.gz KUDCLRMYTZTVLJ-WDEREUQCSA-N 1 2 219.288 1.139 20 30 BDEDLO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)CC#N ZINC000809571198 586507168 /nfs/dbraw/zinc/50/71/68/586507168.db2.gz KUDCLRMYTZTVLJ-WDEREUQCSA-N 1 2 219.288 1.139 20 30 BDEDLO C#CC[N@@H+](Cc1oc(C)nc1C)C1CC1 ZINC000809977714 586528277 /nfs/dbraw/zinc/52/82/77/586528277.db2.gz QKLMLWKLKQXDSR-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO C#CC[N@H+](Cc1oc(C)nc1C)C1CC1 ZINC000809977714 586528278 /nfs/dbraw/zinc/52/82/78/586528278.db2.gz QKLMLWKLKQXDSR-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000814107104 586614172 /nfs/dbraw/zinc/61/41/72/586614172.db2.gz VFGUMEOLEYVUOB-UHFFFAOYSA-N 1 2 248.370 1.590 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+](C)CC(C)(C)C#N ZINC000814669884 586628159 /nfs/dbraw/zinc/62/81/59/586628159.db2.gz PYLNARBCPAYHID-UXBLZVDNSA-N 1 2 224.304 1.587 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+](C)CC(C)(C)C#N ZINC000814669884 586628160 /nfs/dbraw/zinc/62/81/60/586628160.db2.gz PYLNARBCPAYHID-UXBLZVDNSA-N 1 2 224.304 1.587 20 30 BDEDLO COCC(Cc1ccccc1)=[NH+]n1cnnc1 ZINC000814681982 586628627 /nfs/dbraw/zinc/62/86/27/586628627.db2.gz DBYAEHUOJYOLCH-UHFFFAOYSA-N 1 2 230.271 1.371 20 30 BDEDLO CC(N=Nc1ncccn1)c1ccc(N)[nH+]c1 ZINC000814797823 586635055 /nfs/dbraw/zinc/63/50/55/586635055.db2.gz VQRFMVPWMJOQQT-UHFFFAOYSA-N 1 2 228.259 1.290 20 30 BDEDLO Cc1ccc(F)c(N[NH+]=Cc2cnn(C)c2N)c1 ZINC000814872650 586641142 /nfs/dbraw/zinc/64/11/42/586641142.db2.gz UGJUVOXHTKSGFA-UHFFFAOYSA-N 1 2 247.277 1.896 20 30 BDEDLO CC(=[NH+]NC[C@H](C)C#N)c1cc(N)ccc1F ZINC000814881781 586642222 /nfs/dbraw/zinc/64/22/22/586642222.db2.gz XSOJHFHSZMAAIP-MRVPVSSYSA-N 1 2 234.278 1.881 20 30 BDEDLO Cc1[nH+]cc(C=NNCCO)n1-c1ccccc1 ZINC000814943306 586657211 /nfs/dbraw/zinc/65/72/11/586657211.db2.gz DXAAPZMEOQELIC-UHFFFAOYSA-N 1 2 244.298 1.097 20 30 BDEDLO CCc1nocc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000815137342 586669433 /nfs/dbraw/zinc/66/94/33/586669433.db2.gz QXUVUGAQOXWZKX-UHFFFAOYSA-N 1 2 242.282 1.793 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccnn1C(C)C ZINC000815283314 586676614 /nfs/dbraw/zinc/67/66/14/586676614.db2.gz RFCPTTIODDRTCV-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccnn1C(C)C ZINC000815283314 586676615 /nfs/dbraw/zinc/67/66/15/586676615.db2.gz 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/nfs/dbraw/zinc/65/12/64/587651264.db2.gz KILPCIIODWIOJN-SNVBAGLBSA-N 1 2 243.310 1.139 20 30 BDEDLO C#CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000832222199 587651265 /nfs/dbraw/zinc/65/12/65/587651265.db2.gz KILPCIIODWIOJN-SNVBAGLBSA-N 1 2 243.310 1.139 20 30 BDEDLO C=CCO[NH+]=Cc1cnc(N(C)C)nc1 ZINC000835016351 587778385 /nfs/dbraw/zinc/77/83/85/587778385.db2.gz YJRGARUWIYYYCB-UHFFFAOYSA-N 1 2 206.249 1.079 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836442161 587833495 /nfs/dbraw/zinc/83/34/95/587833495.db2.gz SYFHJACHKHTEHV-GHMZBOCLSA-N 1 2 248.330 1.982 20 30 BDEDLO C=CCONC(=O)Nc1c(C)cc[nH+]c1C ZINC000836608994 587835598 /nfs/dbraw/zinc/83/55/98/587835598.db2.gz GOFTZYBTXBORCU-UHFFFAOYSA-N 1 2 221.260 1.938 20 30 BDEDLO C#CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836627266 587835766 /nfs/dbraw/zinc/83/57/66/587835766.db2.gz HUYFNXCKBPKXCJ-UHFFFAOYSA-N 1 2 217.272 1.762 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)C#CC1CC1 ZINC000837380406 587870031 /nfs/dbraw/zinc/87/00/31/587870031.db2.gz QBNCDSBEKRPSTP-UHFFFAOYSA-N 1 2 216.240 1.442 20 30 BDEDLO CN1C(=O)C2(CCCC2)[NH2+][C@]12CCC[C@@H](C#N)C2 ZINC000840818246 587923217 /nfs/dbraw/zinc/92/32/17/587923217.db2.gz MRJUKGUGZLOWCP-BXUZGUMPSA-N 1 2 247.342 1.771 20 30 BDEDLO CCn1ncc(C[NH2+]CC#Cc2ccccc2)n1 ZINC000840897511 587928823 /nfs/dbraw/zinc/92/88/23/587928823.db2.gz ANZQSUWGNZVDLD-UHFFFAOYSA-N 1 2 240.310 1.439 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@H]1CCCOC1 ZINC000841638362 587964531 /nfs/dbraw/zinc/96/45/31/587964531.db2.gz QHVHQSVABLFKKL-JTQLQIEISA-N 1 2 222.292 1.006 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@H]1CCOC1(C)C ZINC000841640814 587965674 /nfs/dbraw/zinc/96/56/74/587965674.db2.gz JSPQIRAJNZWTJJ-NSHDSACASA-N 1 2 236.319 1.394 20 30 BDEDLO Cn1c(Cl)cnc1C[NH2+]CC1(C#N)CCC1 ZINC000841898288 587982591 /nfs/dbraw/zinc/98/25/91/587982591.db2.gz LYGHYTUYXSWOOE-UHFFFAOYSA-N 1 2 238.722 1.857 20 30 BDEDLO CCn1c[nH+]cc1C=NNC12CC(C1)C2 ZINC000842543948 588039412 /nfs/dbraw/zinc/03/94/12/588039412.db2.gz OCRPRIIRBBQRSA-UHFFFAOYSA-N 1 2 204.277 1.379 20 30 BDEDLO CC(C)Cn1nccc1C[NH2+]CCC#N ZINC000843405690 588106767 /nfs/dbraw/zinc/10/67/67/588106767.db2.gz IEFXSQYBQLQBDM-UHFFFAOYSA-N 1 2 206.293 1.542 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844134886 588169657 /nfs/dbraw/zinc/16/96/57/588169657.db2.gz RWOYCGYXIMWXJD-VIFPVBQESA-N 1 2 239.706 1.314 20 30 BDEDLO C=C(C)CONC(=O)NCCCn1cc[nH+]c1 ZINC000844280571 588179830 /nfs/dbraw/zinc/17/98/30/588179830.db2.gz HYXXLPDSQCEUOB-UHFFFAOYSA-N 1 2 238.291 1.080 20 30 BDEDLO N#Cc1cnccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459855 588196886 /nfs/dbraw/zinc/19/68/86/588196886.db2.gz CRERGOVTPSACGA-PHIMTYICSA-N 1 2 235.237 1.650 20 30 BDEDLO N#Cc1cnccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459855 588196887 /nfs/dbraw/zinc/19/68/87/588196887.db2.gz CRERGOVTPSACGA-PHIMTYICSA-N 1 2 235.237 1.650 20 30 BDEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000844527768 588200814 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588286159 /nfs/dbraw/zinc/28/61/59/588286159.db2.gz DZDAZOJLEUNIED-VGOFMYFVSA-N 1 2 235.283 1.943 20 30 BDEDLO C=C(Cl)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000846883779 588295273 /nfs/dbraw/zinc/29/52/73/588295273.db2.gz NWERLIJGJAVJKF-UHFFFAOYSA-N 1 2 242.710 1.373 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000847018476 588302015 /nfs/dbraw/zinc/30/20/15/588302015.db2.gz KIJPTZSIWGUCTA-NSHDSACASA-N 1 2 236.294 1.093 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000847018476 588302016 /nfs/dbraw/zinc/30/20/16/588302016.db2.gz KIJPTZSIWGUCTA-NSHDSACASA-N 1 2 236.294 1.093 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847019840 588302354 /nfs/dbraw/zinc/30/23/54/588302354.db2.gz STSCRGPYWXWXGI-LLVKDONJSA-N 1 2 232.283 1.722 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847019840 588302355 /nfs/dbraw/zinc/30/23/55/588302355.db2.gz STSCRGPYWXWXGI-LLVKDONJSA-N 1 2 232.283 1.722 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000847021775 588302913 /nfs/dbraw/zinc/30/29/13/588302913.db2.gz PBKMOKMPIIPHMB-LLVKDONJSA-N 1 2 245.326 1.590 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847024914 588303890 /nfs/dbraw/zinc/30/38/90/588303890.db2.gz GSLHVBGDQWRVBV-MFKMUULPSA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000847163493 588308191 /nfs/dbraw/zinc/30/81/91/588308191.db2.gz JOWIQNXYSROKEP-GFCCVEGCSA-N 1 2 243.310 1.689 20 30 BDEDLO CC#CCCCC(=O)NC1=[NH+]CCS1 ZINC000006262135 588348829 /nfs/dbraw/zinc/34/88/29/588348829.db2.gz SWELRPHTUHINPE-UHFFFAOYSA-N 1 2 210.302 1.399 20 30 BDEDLO Cc1occc1C=NNCCCn1cc[nH+]c1 ZINC000848416765 588381506 /nfs/dbraw/zinc/38/15/06/588381506.db2.gz XCIPBSZCXSXATF-UHFFFAOYSA-N 1 2 232.287 1.798 20 30 BDEDLO COCCC(C)=NNCCCn1cc[nH+]c1 ZINC000848416554 588381589 /nfs/dbraw/zinc/38/15/89/588381589.db2.gz PHXBBEYTZKYXKU-UHFFFAOYSA-N 1 2 224.308 1.275 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000848417358 588381623 /nfs/dbraw/zinc/38/16/23/588381623.db2.gz WRYQSDHOAQWESO-LBPRGKRZSA-N 1 2 236.319 1.418 20 30 BDEDLO COCCCC(C)=NNCCCn1cc[nH+]c1 ZINC000848417589 588381944 /nfs/dbraw/zinc/38/19/44/588381944.db2.gz BQCUZBJEDFIRQU-UHFFFAOYSA-N 1 2 238.335 1.665 20 30 BDEDLO Cc1ncc(C=NNCCCn2cc[nH+]c2)s1 ZINC000848417675 588382034 /nfs/dbraw/zinc/38/20/34/588382034.db2.gz DLNCQZKQLAIGEV-UHFFFAOYSA-N 1 2 249.343 1.662 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1cc[nH]c1 ZINC000848417745 588382254 /nfs/dbraw/zinc/38/22/54/588382254.db2.gz DZFDBAJOGIWSNP-UHFFFAOYSA-N 1 2 217.276 1.225 20 30 BDEDLO CO[C@H](C)C(C)N=NCCCn1cc[nH+]c1 ZINC000848418686 588382348 /nfs/dbraw/zinc/38/23/48/588382348.db2.gz PHSOGWBUVZMNDT-LLVKDONJSA-N 1 2 224.308 1.274 20 30 BDEDLO C#CC[C@@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000848707157 588407166 /nfs/dbraw/zinc/40/71/66/588407166.db2.gz DDBJEPGNQNCSEH-VIFPVBQESA-N 1 2 230.271 1.062 20 30 BDEDLO CC#CC[NH2+]Cc1cn(C[Si](C)(C)C)nn1 ZINC000849135782 588453859 /nfs/dbraw/zinc/45/38/59/588453859.db2.gz GSKSUYBJELOPGV-UHFFFAOYSA-N 1 2 236.395 1.268 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccccn1 ZINC000851797548 588630000 /nfs/dbraw/zinc/63/00/00/588630000.db2.gz LAABQQJAGZQZII-GFCCVEGCSA-N 1 2 219.288 1.351 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccccn1 ZINC000851797548 588630001 /nfs/dbraw/zinc/63/00/01/588630001.db2.gz LAABQQJAGZQZII-GFCCVEGCSA-N 1 2 219.288 1.351 20 30 BDEDLO C#CC[N@H+](Cc1cnon1)C1CCCC1 ZINC000851807635 588631607 /nfs/dbraw/zinc/63/16/07/588631607.db2.gz GEPMZKNROUJVBL-UHFFFAOYSA-N 1 2 205.261 1.447 20 30 BDEDLO C#CC[N@@H+](Cc1cnon1)C1CCCC1 ZINC000851807635 588631608 /nfs/dbraw/zinc/63/16/08/588631608.db2.gz GEPMZKNROUJVBL-UHFFFAOYSA-N 1 2 205.261 1.447 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851866873 588636879 /nfs/dbraw/zinc/63/68/79/588636879.db2.gz YEWHRCYGQXIREU-ZYHUDNBSSA-N 1 2 238.331 1.762 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851866873 588636880 /nfs/dbraw/zinc/63/68/80/588636880.db2.gz YEWHRCYGQXIREU-ZYHUDNBSSA-N 1 2 238.331 1.762 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)Cc1cnon1 ZINC000851913149 588643092 /nfs/dbraw/zinc/64/30/92/588643092.db2.gz VEYYFGDIFJPFCQ-UHFFFAOYSA-N 1 2 233.271 1.893 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)Cc1cnon1 ZINC000851913149 588643093 /nfs/dbraw/zinc/64/30/93/588643093.db2.gz VEYYFGDIFJPFCQ-UHFFFAOYSA-N 1 2 233.271 1.893 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](CCOC(F)F)C1 ZINC000851924354 588644181 /nfs/dbraw/zinc/64/41/81/588644181.db2.gz ZEDYLHNEFCJDTP-SNVBAGLBSA-N 1 2 218.247 1.851 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](CCOC(F)F)C1 ZINC000851924354 588644182 /nfs/dbraw/zinc/64/41/82/588644182.db2.gz ZEDYLHNEFCJDTP-SNVBAGLBSA-N 1 2 218.247 1.851 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)c2ccccn2)C1 ZINC000851922374 588644272 /nfs/dbraw/zinc/64/42/72/588644272.db2.gz HVECOTGDDWOOFL-UONOGXRCSA-N 1 2 245.326 1.741 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000851922374 588644273 /nfs/dbraw/zinc/64/42/73/588644273.db2.gz HVECOTGDDWOOFL-UONOGXRCSA-N 1 2 245.326 1.741 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215500 588673394 /nfs/dbraw/zinc/67/33/94/588673394.db2.gz JSEQRGZAKDDTMM-MNOVXSKESA-N 1 2 232.331 1.773 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215500 588673395 /nfs/dbraw/zinc/67/33/95/588673395.db2.gz JSEQRGZAKDDTMM-MNOVXSKESA-N 1 2 232.331 1.773 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852275401 588675300 /nfs/dbraw/zinc/67/53/00/588675300.db2.gz OHMJCVWPZOBJTF-WDEREUQCSA-N 1 2 248.330 1.582 20 30 BDEDLO C=C(Br)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537348 588689154 /nfs/dbraw/zinc/68/91/54/588689154.db2.gz WSYAHABQIWEFSM-DTWKUNHWSA-N 1 2 232.121 1.352 20 30 BDEDLO C=C(Br)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537348 588689155 /nfs/dbraw/zinc/68/91/55/588689155.db2.gz WSYAHABQIWEFSM-DTWKUNHWSA-N 1 2 232.121 1.352 20 30 BDEDLO CC[N@H+](CCC(OC)OC)[C@@H](C)C#N ZINC000852645612 588693778 /nfs/dbraw/zinc/69/37/78/588693778.db2.gz HPSYIJUAUAPEBN-VIFPVBQESA-N 1 2 200.282 1.229 20 30 BDEDLO CC[N@@H+](CCC(OC)OC)[C@@H](C)C#N ZINC000852645612 588693779 /nfs/dbraw/zinc/69/37/79/588693779.db2.gz HPSYIJUAUAPEBN-VIFPVBQESA-N 1 2 200.282 1.229 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000861308903 589160866 /nfs/dbraw/zinc/16/08/66/589160866.db2.gz CEDGCYVSLGSJNP-NEPJUHHUSA-N 1 2 245.326 1.282 20 30 BDEDLO C=CCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760761 589177216 /nfs/dbraw/zinc/17/72/16/589177216.db2.gz OAXAPCLMJPBNCA-UHFFFAOYSA-N 1 2 219.288 1.651 20 30 BDEDLO C=CCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760761 589177217 /nfs/dbraw/zinc/17/72/17/589177217.db2.gz OAXAPCLMJPBNCA-UHFFFAOYSA-N 1 2 219.288 1.651 20 30 BDEDLO C=CCCONC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000862217567 589195069 /nfs/dbraw/zinc/19/50/69/589195069.db2.gz JHHQYFBRMAFJQV-NSHDSACASA-N 1 2 249.314 1.378 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cnc(C2CC2)o1 ZINC000862324617 589200896 /nfs/dbraw/zinc/20/08/96/589200896.db2.gz QILXKPDCUQTIGY-MRVPVSSYSA-N 1 2 205.261 1.944 20 30 BDEDLO C#CC[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000862445104 589214565 /nfs/dbraw/zinc/21/45/65/589214565.db2.gz LZJOGRCSGGGKEZ-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO C#CC[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000862445104 589214566 /nfs/dbraw/zinc/21/45/66/589214566.db2.gz LZJOGRCSGGGKEZ-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(F)(F)CC ZINC000862900292 589246266 /nfs/dbraw/zinc/24/62/66/589246266.db2.gz NMEATGNHNPNTQV-JTQLQIEISA-N 1 2 244.285 1.246 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(F)(F)CC ZINC000862900292 589246267 /nfs/dbraw/zinc/24/62/67/589246267.db2.gz NMEATGNHNPNTQV-JTQLQIEISA-N 1 2 244.285 1.246 20 30 BDEDLO Cc1ccc(CCC=NN2CCOC2=O)c[nH+]1 ZINC000863163031 589265670 /nfs/dbraw/zinc/26/56/70/589265670.db2.gz LNMLDMNACHHJLH-UHFFFAOYSA-N 1 2 233.271 1.761 20 30 BDEDLO C#Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000119835657 589337558 /nfs/dbraw/zinc/33/75/58/589337558.db2.gz QDLQBQGZYUCJKV-UHFFFAOYSA-N 1 2 240.266 1.713 20 30 BDEDLO C=CCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000120796613 589466257 /nfs/dbraw/zinc/46/62/57/589466257.db2.gz LTXXOERJHSUUEI-SECBINFHSA-N 1 2 215.318 1.153 20 30 BDEDLO C#CC[C@H](COC)Nc1cc(NCCC)[nH+]cn1 ZINC000865977208 589471079 /nfs/dbraw/zinc/47/10/79/589471079.db2.gz IIGDSIVBQAZSGQ-LLVKDONJSA-N 1 2 248.330 1.749 20 30 BDEDLO C#CC[C@H](COC)Nc1cc(NCCC)nc[nH+]1 ZINC000865977208 589471080 /nfs/dbraw/zinc/47/10/80/589471080.db2.gz IIGDSIVBQAZSGQ-LLVKDONJSA-N 1 2 248.330 1.749 20 30 BDEDLO C[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866267579 589483739 /nfs/dbraw/zinc/48/37/39/589483739.db2.gz MAIHHHLFALMITO-ZJUUUORDSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@H]([NH2+]CC1(CO)CC1)c1cccc(C#N)c1O ZINC000866278480 589484025 /nfs/dbraw/zinc/48/40/25/589484025.db2.gz QFAAZUXHWXXUBR-JTQLQIEISA-N 1 2 246.310 1.687 20 30 BDEDLO C#C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867501041 589523089 /nfs/dbraw/zinc/52/30/89/589523089.db2.gz BWORIYSNGUIAPB-VHSXEESVSA-N 1 2 244.285 1.101 20 30 BDEDLO C#C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867501041 589523090 /nfs/dbraw/zinc/52/30/90/589523090.db2.gz BWORIYSNGUIAPB-VHSXEESVSA-N 1 2 244.285 1.101 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867880077 589538025 /nfs/dbraw/zinc/53/80/25/589538025.db2.gz JMXYIAWTNGBXCF-MWLCHTKSSA-N 1 2 235.287 1.010 20 30 BDEDLO N#Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)co1 ZINC000868426433 589558009 /nfs/dbraw/zinc/55/80/09/589558009.db2.gz FSRQTSAZAUFJHZ-UHFFFAOYSA-N 1 2 242.238 1.073 20 30 BDEDLO N#Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)co1 ZINC000868426433 589558011 /nfs/dbraw/zinc/55/80/11/589558011.db2.gz FSRQTSAZAUFJHZ-UHFFFAOYSA-N 1 2 242.238 1.073 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C#CC1CC1 ZINC000868679245 589572451 /nfs/dbraw/zinc/57/24/51/589572451.db2.gz SGVOZIHTUZYXAF-JTQLQIEISA-N 1 2 231.299 1.494 20 30 BDEDLO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000871936646 589835094 /nfs/dbraw/zinc/83/50/94/589835094.db2.gz LRSYYMAKDDEQET-VXGBXAGGSA-N 1 2 243.314 1.879 20 30 BDEDLO C(=NO[C@H]1CCCCO1)c1c[nH]c2nc[nH+]cc12 ZINC000872360323 589918646 /nfs/dbraw/zinc/91/86/46/589918646.db2.gz IROQOGYBDRNNGP-NSHDSACASA-N 1 2 246.270 1.787 20 30 BDEDLO C(=NOCC1CC1)c1c[nH]c2nc[nH+]cc12 ZINC000872378400 589926621 /nfs/dbraw/zinc/92/66/21/589926621.db2.gz HLQBJSCDDWJEIF-UHFFFAOYSA-N 1 2 216.244 1.670 20 30 BDEDLO CC(C)(C=[NH+]n1ccnn1)[C@@H]1CCCCO1 ZINC000872380047 589927574 /nfs/dbraw/zinc/92/75/74/589927574.db2.gz TUXTZUFTECUXGC-JTQLQIEISA-N 1 2 222.292 1.707 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872601325 589956089 /nfs/dbraw/zinc/95/60/89/589956089.db2.gz PCNGRMIDWXLGLK-NEPJUHHUSA-N 1 2 235.331 1.188 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872601325 589956090 /nfs/dbraw/zinc/95/60/90/589956090.db2.gz PCNGRMIDWXLGLK-NEPJUHHUSA-N 1 2 235.331 1.188 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872601327 589956182 /nfs/dbraw/zinc/95/61/82/589956182.db2.gz PCNGRMIDWXLGLK-RYUDHWBXSA-N 1 2 235.331 1.188 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H]2CCCCN2C1=O ZINC000872601327 589956183 /nfs/dbraw/zinc/95/61/83/589956183.db2.gz PCNGRMIDWXLGLK-RYUDHWBXSA-N 1 2 235.331 1.188 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000874862290 590150164 /nfs/dbraw/zinc/15/01/64/590150164.db2.gz BFIXXIQJCUCEJU-HAQNSBGRSA-N 1 2 245.326 1.271 20 30 BDEDLO CCC[C@@H](CC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000875704219 590169211 /nfs/dbraw/zinc/16/92/11/590169211.db2.gz BILPNWZLMQRBTP-DGCLKSJQSA-N 1 2 239.363 1.773 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(C(=O)OCC)no1 ZINC000876639983 590225354 /nfs/dbraw/zinc/22/53/54/590225354.db2.gz XAAMIGJWYBLRQY-UHFFFAOYSA-N 1 2 236.271 1.306 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(C(=O)OCC)no1 ZINC000876639983 590225355 /nfs/dbraw/zinc/22/53/55/590225355.db2.gz XAAMIGJWYBLRQY-UHFFFAOYSA-N 1 2 236.271 1.306 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(CCC)nn1 ZINC000877480202 590337073 /nfs/dbraw/zinc/33/70/73/590337073.db2.gz NEFVLJYQNMMSGU-JTQLQIEISA-N 1 2 206.293 1.142 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(CCC)nn1 ZINC000877480202 590337076 /nfs/dbraw/zinc/33/70/76/590337076.db2.gz NEFVLJYQNMMSGU-JTQLQIEISA-N 1 2 206.293 1.142 20 30 BDEDLO N#CCC[NH2+]Cc1cccc(Cl)c1N ZINC000877484072 590338199 /nfs/dbraw/zinc/33/81/99/590338199.db2.gz VDIKUPWKSBJABE-UHFFFAOYSA-N 1 2 209.680 1.925 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)C(=O)OC ZINC000877582998 590367023 /nfs/dbraw/zinc/36/70/23/590367023.db2.gz JWPHJAAFTHWYMW-GRYCIOLGSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)OC ZINC000877584041 590367244 /nfs/dbraw/zinc/36/72/44/590367244.db2.gz WSPXGLKSEYWGSD-BBBLOLIVSA-N 1 2 227.329 1.035 20 30 BDEDLO C#CCCCCCC[NH2+]Cc1cn[nH]n1 ZINC000877648294 590384294 /nfs/dbraw/zinc/38/42/94/590384294.db2.gz CPTMELKPCFZCCI-UHFFFAOYSA-N 1 2 206.293 1.478 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000877958052 590457696 /nfs/dbraw/zinc/45/76/96/590457696.db2.gz QYKYMOBXUQAHEW-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000877958052 590457698 /nfs/dbraw/zinc/45/76/98/590457698.db2.gz QYKYMOBXUQAHEW-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878175074 590516216 /nfs/dbraw/zinc/51/62/16/590516216.db2.gz LRPAUAOLZRVHEV-LBPRGKRZSA-N 1 2 238.331 1.560 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878175074 590516218 /nfs/dbraw/zinc/51/62/18/590516218.db2.gz LRPAUAOLZRVHEV-LBPRGKRZSA-N 1 2 238.331 1.560 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1ncccc1C)C1CC1 ZINC000878434981 590567175 /nfs/dbraw/zinc/56/71/75/590567175.db2.gz YAEJDYJPLSQICD-UHFFFAOYSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1ncccc1C)C1CC1 ZINC000878434981 590567178 /nfs/dbraw/zinc/56/71/78/590567178.db2.gz YAEJDYJPLSQICD-UHFFFAOYSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878502276 590581755 /nfs/dbraw/zinc/58/17/55/590581755.db2.gz ZJPJVUVDLRQDBV-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO C#CC[N@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878502276 590581754 /nfs/dbraw/zinc/58/17/54/590581754.db2.gz ZJPJVUVDLRQDBV-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](F)C1 ZINC000878663925 590605494 /nfs/dbraw/zinc/60/54/94/590605494.db2.gz UDUBKWPCUPUXLI-BDAKNGLRSA-N 1 2 201.241 1.148 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](F)C1 ZINC000878663925 590605496 /nfs/dbraw/zinc/60/54/96/590605496.db2.gz UDUBKWPCUPUXLI-BDAKNGLRSA-N 1 2 201.241 1.148 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)OC ZINC000878673142 590607621 /nfs/dbraw/zinc/60/76/21/590607621.db2.gz MYIKQUOBHOAPHX-UWVGGRQHSA-N 1 2 211.305 1.882 20 30 BDEDLO C#CCCCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000878681745 590608529 /nfs/dbraw/zinc/60/85/29/590608529.db2.gz ZIXCEIWSWZWRIW-UHFFFAOYSA-N 1 2 243.372 1.299 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1nccn1CC(F)F ZINC000878698626 590611140 /nfs/dbraw/zinc/61/11/40/590611140.db2.gz FWSGBVSQFTUSPB-VIFPVBQESA-N 1 2 242.273 1.930 20 30 BDEDLO CC[C@@H](CC#N)NCc1[nH+]ccn1CC(F)F ZINC000878698626 590611142 /nfs/dbraw/zinc/61/11/42/590611142.db2.gz FWSGBVSQFTUSPB-VIFPVBQESA-N 1 2 242.273 1.930 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000878908663 590641351 /nfs/dbraw/zinc/64/13/51/590641351.db2.gz ZNHUFYLDBWUAMB-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000878908663 590641353 /nfs/dbraw/zinc/64/13/53/590641353.db2.gz ZNHUFYLDBWUAMB-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cn1)C1CSC1 ZINC000878909411 590644808 /nfs/dbraw/zinc/64/48/08/590644808.db2.gz CCAWHVOATRETHF-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cn1)C1CSC1 ZINC000878909411 590644809 /nfs/dbraw/zinc/64/48/09/590644809.db2.gz CCAWHVOATRETHF-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(C#N)c1)C1CSC1 ZINC000878911836 590648982 /nfs/dbraw/zinc/64/89/82/590648982.db2.gz STXKRTMPTIMXRO-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(C#N)c1)C1CSC1 ZINC000878911836 590648985 /nfs/dbraw/zinc/64/89/85/590648985.db2.gz STXKRTMPTIMXRO-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)Nc1cc[nH+]cc1C ZINC000879074026 590692958 /nfs/dbraw/zinc/69/29/58/590692958.db2.gz WJMHHOFYAWJZMI-CYBMUJFWSA-N 1 2 231.299 1.735 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)CCO[C@H](C)C#N ZINC000879188119 590710685 /nfs/dbraw/zinc/71/06/85/590710685.db2.gz HMJMSJHOSAVFJF-SECBINFHSA-N 1 2 222.292 1.079 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)CCO[C@H](C)C#N ZINC000879188119 590710686 /nfs/dbraw/zinc/71/06/86/590710686.db2.gz HMJMSJHOSAVFJF-SECBINFHSA-N 1 2 222.292 1.079 20 30 BDEDLO C[N@H+](C[C@H](O)c1ccccn1)[C@H]1CCC[C@H]1C#N ZINC000879310627 590734819 /nfs/dbraw/zinc/73/48/19/590734819.db2.gz XRNDHGXDBXYZCA-UBHSHLNASA-N 1 2 245.326 1.739 20 30 BDEDLO C[N@@H+](C[C@H](O)c1ccccn1)[C@H]1CCC[C@H]1C#N ZINC000879310627 590734822 /nfs/dbraw/zinc/73/48/22/590734822.db2.gz XRNDHGXDBXYZCA-UBHSHLNASA-N 1 2 245.326 1.739 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879335713 590749004 /nfs/dbraw/zinc/74/90/04/590749004.db2.gz WKLGIFZYEWAQNW-SNVBAGLBSA-N 1 2 245.754 1.522 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879335713 590749008 /nfs/dbraw/zinc/74/90/08/590749008.db2.gz WKLGIFZYEWAQNW-SNVBAGLBSA-N 1 2 245.754 1.522 20 30 BDEDLO C#CC[C@@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000879526697 590789246 /nfs/dbraw/zinc/78/92/46/590789246.db2.gz QWUJXBPALXJSKI-NSHDSACASA-N 1 2 247.298 1.204 20 30 BDEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763193 590866544 /nfs/dbraw/zinc/86/65/44/590866544.db2.gz CGPRCMQRCAPXBM-JTQLQIEISA-N 1 2 248.248 1.153 20 30 BDEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763193 590866549 /nfs/dbraw/zinc/86/65/49/590866549.db2.gz CGPRCMQRCAPXBM-JTQLQIEISA-N 1 2 248.248 1.153 20 30 BDEDLO C#CCC[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879983314 590903277 /nfs/dbraw/zinc/90/32/77/590903277.db2.gz YPOBAFPFSWLURH-LLVKDONJSA-N 1 2 209.289 1.331 20 30 BDEDLO Cc1nccnc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000880108147 590925892 /nfs/dbraw/zinc/92/58/92/590925892.db2.gz OVZFGRCHPILDIG-JTQLQIEISA-N 1 2 216.288 1.739 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC000128351625 591001166 /nfs/dbraw/zinc/00/11/66/591001166.db2.gz UTSULPIPLURLPN-UHFFFAOYSA-N 1 2 242.322 1.386 20 30 BDEDLO COc1cccc2c1CC[C@@]2(CO)[NH2+]CCC#N ZINC000880379417 591017297 /nfs/dbraw/zinc/01/72/97/591017297.db2.gz BFCJQFQGHSDJHV-AWEZNQCLSA-N 1 2 246.310 1.332 20 30 BDEDLO Cc1ccc(NCC[NH+]2CCOCC2)c(C#N)n1 ZINC000881738200 591268049 /nfs/dbraw/zinc/26/80/49/591268049.db2.gz KXXTXWKLSXRARG-UHFFFAOYSA-N 1 2 246.314 1.006 20 30 BDEDLO C#CC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000882514231 591380843 /nfs/dbraw/zinc/38/08/43/591380843.db2.gz BIOUURDMSAGZMZ-GFCCVEGCSA-N 1 2 230.311 1.814 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(CO)cc[nH+]1 ZINC000882671112 591409181 /nfs/dbraw/zinc/40/91/81/591409181.db2.gz ITFINBJDWXXMAW-LBPRGKRZSA-N 1 2 234.299 1.414 20 30 BDEDLO C#CC1([NH2+]Cc2nnn(C(C)(C)C)n2)CCCC1 ZINC000883361498 591631269 /nfs/dbraw/zinc/63/12/69/591631269.db2.gz FFGJCIWRDUTIPC-UHFFFAOYSA-N 1 2 247.346 1.464 20 30 BDEDLO C=C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC000884001031 591791981 /nfs/dbraw/zinc/79/19/81/591791981.db2.gz WIQQECWKXDBEFX-UHFFFAOYSA-N 1 2 206.293 1.450 20 30 BDEDLO C#CCn1cc(CNc2cc[nH+]c(CC)n2)cn1 ZINC000884488188 591954810 /nfs/dbraw/zinc/95/48/10/591954810.db2.gz PXLQZUYGGZQAPU-UHFFFAOYSA-N 1 2 241.298 1.481 20 30 BDEDLO C#CC[N@H+]1CCC[C@H](Nc2nccnc2F)C1 ZINC000884610694 591993891 /nfs/dbraw/zinc/99/38/91/591993891.db2.gz SPJNPORRAXUQIG-JTQLQIEISA-N 1 2 234.278 1.125 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nccnc2F)C1 ZINC000884610694 591993892 /nfs/dbraw/zinc/99/38/92/591993892.db2.gz SPJNPORRAXUQIG-JTQLQIEISA-N 1 2 234.278 1.125 20 30 BDEDLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000886266997 592190996 /nfs/dbraw/zinc/19/09/96/592190996.db2.gz CQIDJPHPSJYIHK-TXEJJXNPSA-N 1 2 247.346 1.136 20 30 BDEDLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000886266997 592190997 /nfs/dbraw/zinc/19/09/97/592190997.db2.gz CQIDJPHPSJYIHK-TXEJJXNPSA-N 1 2 247.346 1.136 20 30 BDEDLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000886266997 592190998 /nfs/dbraw/zinc/19/09/98/592190998.db2.gz CQIDJPHPSJYIHK-TXEJJXNPSA-N 1 2 247.346 1.136 20 30 BDEDLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000886266997 592190999 /nfs/dbraw/zinc/19/09/99/592190999.db2.gz CQIDJPHPSJYIHK-TXEJJXNPSA-N 1 2 247.346 1.136 20 30 BDEDLO Cc1ccccc1[C@H](CO)[N@H+](C)CCC#N ZINC000886432122 592225156 /nfs/dbraw/zinc/22/51/56/592225156.db2.gz OSIRBHNDNBBRDT-ZDUSSCGKSA-N 1 2 218.300 1.874 20 30 BDEDLO Cc1ccccc1[C@H](CO)[N@@H+](C)CCC#N ZINC000886432122 592225157 /nfs/dbraw/zinc/22/51/57/592225157.db2.gz OSIRBHNDNBBRDT-ZDUSSCGKSA-N 1 2 218.300 1.874 20 30 BDEDLO CCn1c[nH+]c2c1CCN(C(=O)C#CC1CC1)C2 ZINC000886609986 592273957 /nfs/dbraw/zinc/27/39/57/592273957.db2.gz LCXOEYULGKIQQP-UHFFFAOYSA-N 1 2 243.310 1.201 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ncc(CC)o1 ZINC000887235787 592469369 /nfs/dbraw/zinc/46/93/69/592469369.db2.gz NNAIEHHKFGDFER-NSHDSACASA-N 1 2 247.298 1.273 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ncc(CC)o1 ZINC000887235787 592469372 /nfs/dbraw/zinc/46/93/72/592469372.db2.gz NNAIEHHKFGDFER-NSHDSACASA-N 1 2 247.298 1.273 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000887310594 592478898 /nfs/dbraw/zinc/47/88/98/592478898.db2.gz KOWXSGVSCFXFLJ-GUBZILKMSA-N 1 2 215.293 1.117 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000887310598 592479074 /nfs/dbraw/zinc/47/90/74/592479074.db2.gz KOWXSGVSCFXFLJ-OPRDCNLKSA-N 1 2 215.293 1.117 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890100251 592679386 /nfs/dbraw/zinc/67/93/86/592679386.db2.gz JXVIHSFRHNKWAG-SNVBAGLBSA-N 1 2 221.304 1.639 20 30 BDEDLO C[N@H+](Cc1ccc(N)nc1)[C@@H]1CCC[C@H]1C#N ZINC000931477533 634504528 /nfs/dbraw/zinc/50/45/28/634504528.db2.gz YHWHWKJXUVNBJJ-NWDGAFQWSA-N 1 2 230.315 1.788 20 30 BDEDLO C[N@@H+](Cc1ccc(N)nc1)[C@@H]1CCC[C@H]1C#N ZINC000931477533 634504539 /nfs/dbraw/zinc/50/45/39/634504539.db2.gz YHWHWKJXUVNBJJ-NWDGAFQWSA-N 1 2 230.315 1.788 20 30 BDEDLO CC#CC[NH2+]C1(c2ncccn2)CCOCC1 ZINC000933339725 631286474 /nfs/dbraw/zinc/28/64/74/631286474.db2.gz KRDZIYXLROWTHB-UHFFFAOYSA-N 1 2 231.299 1.095 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nnnn1C(C)(C)C ZINC000934461576 631857551 /nfs/dbraw/zinc/85/75/51/631857551.db2.gz NFJWWRSUBILUBG-JTQLQIEISA-N 1 2 235.335 1.579 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000934461576 631857556 /nfs/dbraw/zinc/85/75/56/631857556.db2.gz NFJWWRSUBILUBG-JTQLQIEISA-N 1 2 235.335 1.579 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)CCC ZINC000934511058 631892955 /nfs/dbraw/zinc/89/29/55/631892955.db2.gz IEWJUFFIWKGXEH-GFCCVEGCSA-N 1 2 243.372 1.299 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)CCC ZINC000934511058 631892958 /nfs/dbraw/zinc/89/29/58/631892958.db2.gz IEWJUFFIWKGXEH-GFCCVEGCSA-N 1 2 243.372 1.299 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934574152 631946485 /nfs/dbraw/zinc/94/64/85/631946485.db2.gz RRKLKSWEPOJQLH-ZIAGYGMSSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934574152 631946493 /nfs/dbraw/zinc/94/64/93/631946493.db2.gz RRKLKSWEPOJQLH-ZIAGYGMSSA-N 1 2 248.301 1.771 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1ncc[nH]1)[C@H]1CCCO1 ZINC000309502862 632418201 /nfs/dbraw/zinc/41/82/01/632418201.db2.gz BIEJHHFITVLMHX-OUAUKWLOSA-N 1 2 219.288 1.241 20 30 BDEDLO Cc1nn(C(C)C)cc1C[NH2+]CCC#N ZINC000308916073 632428311 /nfs/dbraw/zinc/42/83/11/632428311.db2.gz BFUJYIXNWYWUAY-UHFFFAOYSA-N 1 2 206.293 1.776 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nccs1)[C@@H]1CCCO1 ZINC000309561120 632532163 /nfs/dbraw/zinc/53/21/63/632532163.db2.gz LBXYKMYLDSJJCO-VWYCJHECSA-N 1 2 236.340 1.975 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC000972703815 632637338 /nfs/dbraw/zinc/63/73/38/632637338.db2.gz UOXWPYKYJQYHEZ-SNVBAGLBSA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC000972703815 632637341 /nfs/dbraw/zinc/63/73/41/632637341.db2.gz UOXWPYKYJQYHEZ-SNVBAGLBSA-N 1 2 230.739 1.585 20 30 BDEDLO C#CCCCCC(=O)NCCn1cc[nH+]c1 ZINC000179748653 632758311 /nfs/dbraw/zinc/75/83/11/632758311.db2.gz ITBTXQZKVFXKLS-UHFFFAOYSA-N 1 2 219.288 1.193 20 30 BDEDLO C#CC(=O)NCCCCNc1cccc[nH+]1 ZINC000309559351 633199774 /nfs/dbraw/zinc/19/97/74/633199774.db2.gz IVIMJYRNKDMAKK-UHFFFAOYSA-N 1 2 217.272 1.023 20 30 BDEDLO CSCCO[NH+]=C(C)c1csc(N)n1 ZINC000308654608 633783886 /nfs/dbraw/zinc/78/38/86/633783886.db2.gz NFBOPXCUXXDOFP-UHFFFAOYSA-N 1 2 231.346 1.829 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000950035101 635230606 /nfs/dbraw/zinc/23/06/06/635230606.db2.gz SPGXTNMISLPOPZ-NEPJUHHUSA-N 1 2 222.332 1.363 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CC)CC2)CC1 ZINC000950066120 635323995 /nfs/dbraw/zinc/32/39/95/635323995.db2.gz CMPBIVLPRZLIDQ-UHFFFAOYSA-N 1 2 236.359 1.897 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907641 636251616 /nfs/dbraw/zinc/25/16/16/636251616.db2.gz PYOVJTLEFYTZMZ-VIFPVBQESA-N 1 2 220.276 1.193 20 30 BDEDLO C=C(C)COCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353621709 636714781 /nfs/dbraw/zinc/71/47/81/636714781.db2.gz MMPMVPVJNCKCEB-LBPRGKRZSA-N 1 2 235.331 1.969 20 30 BDEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2nccn2[C@H]1C ZINC000901566516 637260498 /nfs/dbraw/zinc/26/04/98/637260498.db2.gz UPMROHVJUXWMBL-CAXXOGMASA-N 1 2 242.282 1.940 20 30 BDEDLO C=CC[C@H]([NH2+]CCCOCC)C(=O)OC ZINC000905746984 637897263 /nfs/dbraw/zinc/89/72/63/637897263.db2.gz GSDIQZAQQOQPMF-JTQLQIEISA-N 1 2 215.293 1.120 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)CCSC)C(=O)OC ZINC000905760026 637915369 /nfs/dbraw/zinc/91/53/69/637915369.db2.gz FBABJYDIYRATNG-VHSXEESVSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@]1(C)CCCS1)C(=O)OC ZINC000905768268 637923079 /nfs/dbraw/zinc/92/30/79/637923079.db2.gz RMAUXQPPNAWOOB-PWSUYJOCSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C(=O)OC ZINC000905767870 637923178 /nfs/dbraw/zinc/92/31/78/637923178.db2.gz OZNPIVSUONCAFX-YPMHNXCESA-N 1 2 241.331 1.509 20 30 BDEDLO CC(C)(C#N)CNC(=O)CNc1cccc[nH+]1 ZINC000907296471 638345744 /nfs/dbraw/zinc/34/57/44/638345744.db2.gz SDJGEGYHSAEUCP-UHFFFAOYSA-N 1 2 232.287 1.159 20 30 BDEDLO N#CC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000911872511 639861525 /nfs/dbraw/zinc/86/15/25/639861525.db2.gz PBXBWEQOVNFUPH-UHFFFAOYSA-N 1 2 232.287 1.152 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)nnc1C ZINC000930694287 639864296 /nfs/dbraw/zinc/86/42/96/639864296.db2.gz POVMYOPHWPSIEU-GFCCVEGCSA-N 1 2 218.304 1.875 20 30 BDEDLO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccn(C)n1 ZINC000930705714 639871008 /nfs/dbraw/zinc/87/10/08/639871008.db2.gz RVUPKJBXPJEFND-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO 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236.315 1.706 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000155018112 642359249 /nfs/dbraw/zinc/35/92/49/642359249.db2.gz ONVNGGPDWUAKRD-GFCCVEGCSA-N 1 2 224.348 1.956 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000155018112 642359259 /nfs/dbraw/zinc/35/92/59/642359259.db2.gz ONVNGGPDWUAKRD-GFCCVEGCSA-N 1 2 224.348 1.956 20 30 BDEDLO CCn1c[nH+]c2c1CCN(CCOCCC#N)C2 ZINC000933256037 642425935 /nfs/dbraw/zinc/42/59/35/642425935.db2.gz UVMFUZCLNAEPJU-UHFFFAOYSA-N 1 2 248.330 1.191 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H]1CC1(Cl)Cl ZINC000308199624 642485684 /nfs/dbraw/zinc/48/56/84/642485684.db2.gz WSOWMVOMTJQDCF-VIFPVBQESA-N 1 2 216.111 1.749 20 30 BDEDLO CC(C)C[N@H+](CCC#N)C[C@@H](O)C(F)(F)F ZINC000068876992 642804946 /nfs/dbraw/zinc/80/49/46/642804946.db2.gz BGXCKAUYXNNAFH-SECBINFHSA-N 1 2 238.253 1.781 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)C[C@@H](O)C(F)(F)F ZINC000068876992 642804947 /nfs/dbraw/zinc/80/49/47/642804947.db2.gz BGXCKAUYXNNAFH-SECBINFHSA-N 1 2 238.253 1.781 20 30 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644070327 /nfs/dbraw/zinc/07/03/27/644070327.db2.gz YLHJSHQSNCGUDU-CYBMUJFWSA-N 1 2 249.358 1.623 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC000950821429 644134308 /nfs/dbraw/zinc/13/43/08/644134308.db2.gz MVICXMYCXWSDBF-UHFFFAOYSA-N 1 2 247.342 1.575 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2ccon2)c1 ZINC000086500360 644144698 /nfs/dbraw/zinc/14/46/98/644144698.db2.gz UQAAYSZTMDFTQY-UHFFFAOYSA-N 1 2 219.269 1.898 20 30 BDEDLO COCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000194616651 644333373 /nfs/dbraw/zinc/33/33/73/644333373.db2.gz IRECQZHOSRUJAH-UHFFFAOYSA-N 1 2 242.706 1.818 20 30 BDEDLO CC#CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000801141353 644837572 /nfs/dbraw/zinc/83/75/72/644837572.db2.gz KLEUZYMYLCHVHC-UHFFFAOYSA-N 1 2 228.295 1.142 20 30 BDEDLO CC#CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000801161690 644840394 /nfs/dbraw/zinc/84/03/94/644840394.db2.gz DKTZXEKSDSGBEW-UHFFFAOYSA-N 1 2 244.285 1.198 20 30 BDEDLO CC#CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000801161690 644840398 /nfs/dbraw/zinc/84/03/98/644840398.db2.gz DKTZXEKSDSGBEW-UHFFFAOYSA-N 1 2 244.285 1.198 20 30 BDEDLO C#CCO[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459178 644983597 /nfs/dbraw/zinc/98/35/97/644983597.db2.gz RLZOLJYOCMUMAC-LBPRGKRZSA-N 1 2 246.310 1.353 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000825878947 645064027 /nfs/dbraw/zinc/06/40/27/645064027.db2.gz XHOOYQCOZUVBLG-VIFPVBQESA-N 1 2 204.277 1.114 20 30 BDEDLO C#CC1CC[NH+](Cc2nc(COC)no2)CC1 ZINC000830345387 645121187 /nfs/dbraw/zinc/12/11/87/645121187.db2.gz BJQXSPLMKSUERS-UHFFFAOYSA-N 1 2 235.287 1.061 20 30 BDEDLO C=CC(C)(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000835267931 645166634 /nfs/dbraw/zinc/16/66/34/645166634.db2.gz VGMFOPYZLCKQTL-NSHDSACASA-N 1 2 241.331 1.463 20 30 BDEDLO C=C(Br)C[NH2+]Cc1cnnn1CC ZINC000841862624 645232254 /nfs/dbraw/zinc/23/22/54/645232254.db2.gz BBUPBKXZNWZTGZ-UHFFFAOYSA-N 1 2 245.124 1.296 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442859 645332420 /nfs/dbraw/zinc/33/24/20/645332420.db2.gz GZDBLLKXXIBHFZ-MWLCHTKSSA-N 1 2 245.269 1.835 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442859 645332411 /nfs/dbraw/zinc/33/24/11/645332411.db2.gz GZDBLLKXXIBHFZ-MWLCHTKSSA-N 1 2 245.269 1.835 20 30 BDEDLO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C#N)c1O ZINC000926730433 645391996 /nfs/dbraw/zinc/39/19/96/645391996.db2.gz ALGSTYOQDXCFRC-NQBHXWOUSA-N 1 2 246.310 1.828 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(F)n2)C1 ZINC000852205103 645473767 /nfs/dbraw/zinc/47/37/67/645473767.db2.gz IRYXSKCMEOTTQR-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852205103 645473778 /nfs/dbraw/zinc/47/37/78/645473778.db2.gz IRYXSKCMEOTTQR-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000862579371 645702373 /nfs/dbraw/zinc/70/23/73/645702373.db2.gz VZMCWYIGLKZENX-NEPJUHHUSA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000862579371 645702376 /nfs/dbraw/zinc/70/23/76/645702376.db2.gz VZMCWYIGLKZENX-NEPJUHHUSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000878705027 645823080 /nfs/dbraw/zinc/82/30/80/645823080.db2.gz NATWSNPDRIPTNF-VXGBXAGGSA-N 1 2 223.316 1.136 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000878705027 645823084 /nfs/dbraw/zinc/82/30/84/645823084.db2.gz NATWSNPDRIPTNF-VXGBXAGGSA-N 1 2 223.316 1.136 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000878705024 645823421 /nfs/dbraw/zinc/82/34/21/645823421.db2.gz NATWSNPDRIPTNF-NEPJUHHUSA-N 1 2 223.316 1.136 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000878705024 645823422 /nfs/dbraw/zinc/82/34/22/645823422.db2.gz NATWSNPDRIPTNF-NEPJUHHUSA-N 1 2 223.316 1.136 20 30 BDEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000928622932 645850664 /nfs/dbraw/zinc/85/06/64/645850664.db2.gz FLGSJQAAJTVXBU-GHMZBOCLSA-N 1 2 231.299 1.383 20 30 BDEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000928622932 645850670 /nfs/dbraw/zinc/85/06/70/645850670.db2.gz FLGSJQAAJTVXBU-GHMZBOCLSA-N 1 2 231.299 1.383 20 30 BDEDLO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)CC#N)no1 ZINC000929185952 645993734 /nfs/dbraw/zinc/99/37/34/645993734.db2.gz MUHNSIDONMBGJJ-PWSUYJOCSA-N 1 2 235.287 1.395 20 30 BDEDLO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)CC#N)no1 ZINC000929185952 645993739 /nfs/dbraw/zinc/99/37/39/645993739.db2.gz MUHNSIDONMBGJJ-PWSUYJOCSA-N 1 2 235.287 1.395 20 30 BDEDLO CC[C@@H]([NH2+]CCO)c1cccc(C#N)c1O ZINC000924569706 646071598 /nfs/dbraw/zinc/07/15/98/646071598.db2.gz KOFYJYSOPAOHKJ-LLVKDONJSA-N 1 2 220.272 1.297 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(CC)o1 ZINC000700404642 711846286 /nfs/dbraw/zinc/84/62/86/711846286.db2.gz MGHWYFJFRNXHPQ-LLVKDONJSA-N 1 2 207.277 1.524 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2cscn2)CC1 ZINC000708153084 712183522 /nfs/dbraw/zinc/18/35/22/712183522.db2.gz YUVINCIKKCZMDT-UHFFFAOYSA-N 1 2 222.313 1.103 20 30 BDEDLO COCCC(C)=[NH+]n1cc(Br)cn1 ZINC000378850430 712366334 /nfs/dbraw/zinc/36/63/34/712366334.db2.gz DVCQQBSGIMOQHN-UHFFFAOYSA-N 1 2 246.108 1.906 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2[nH]ccc2C)C1 ZINC001042678266 710796261 /nfs/dbraw/zinc/79/62/61/710796261.db2.gz IKZQWHIELKOBIM-UHFFFAOYSA-N 1 2 233.315 1.265 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2C[C@H]2C)C1 ZINC001043741023 710811955 /nfs/dbraw/zinc/81/19/55/710811955.db2.gz JCQLDGGYXLFUPU-VXGBXAGGSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001043827595 710815602 /nfs/dbraw/zinc/81/56/02/710815602.db2.gz XABBOSPQCRWACI-UHFFFAOYSA-N 1 2 234.343 1.505 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001044137551 710819820 /nfs/dbraw/zinc/81/98/20/710819820.db2.gz GKGBCXDNVZXYRK-ZDUSSCGKSA-N 1 2 248.370 1.895 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001038199982 710678611 /nfs/dbraw/zinc/67/86/11/710678611.db2.gz XUAWVNRANHENMK-LLVKDONJSA-N 1 2 246.310 1.279 20 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CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032662399 711932425 /nfs/dbraw/zinc/93/24/25/711932425.db2.gz LIGUFISKPNLSIF-IHRRRGAJSA-N 1 2 248.370 1.587 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032662399 711932427 /nfs/dbraw/zinc/93/24/27/711932427.db2.gz LIGUFISKPNLSIF-IHRRRGAJSA-N 1 2 248.370 1.587 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001043072790 711933629 /nfs/dbraw/zinc/93/36/29/711933629.db2.gz HULWYVWPCZVNAU-ZDUSSCGKSA-N 1 2 248.370 1.895 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncs1 ZINC001038085839 711955625 /nfs/dbraw/zinc/95/56/25/711955625.db2.gz FJIHJWSUPWHVRB-SECBINFHSA-N 1 2 237.328 1.133 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cncs1 ZINC001038085839 711955626 /nfs/dbraw/zinc/95/56/26/711955626.db2.gz FJIHJWSUPWHVRB-SECBINFHSA-N 1 2 237.328 1.133 20 30 BDEDLO C#CC[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000606277843 712350941 /nfs/dbraw/zinc/35/09/41/712350941.db2.gz TXLIOCRENXHTPO-WCBMZHEXSA-N 1 2 203.232 1.364 20 30 BDEDLO C#CC[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000606277843 712350942 /nfs/dbraw/zinc/35/09/42/712350942.db2.gz TXLIOCRENXHTPO-WCBMZHEXSA-N 1 2 203.232 1.364 20 30 BDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828018024 712593849 /nfs/dbraw/zinc/59/38/49/712593849.db2.gz CQDZKYVBILSHEC-GXFFZTMASA-N 1 2 246.314 1.541 20 30 BDEDLO C#CCC[N@@H+](CCOC)[C@@H](C)C(=O)OCCC ZINC000852751991 712612933 /nfs/dbraw/zinc/61/29/33/712612933.db2.gz QPVCZMZBFMJXNB-LBPRGKRZSA-N 1 2 241.331 1.300 20 30 BDEDLO C#CCC[N@H+](CCOC)[C@@H](C)C(=O)OCCC ZINC000852751991 712612934 /nfs/dbraw/zinc/61/29/34/712612934.db2.gz QPVCZMZBFMJXNB-LBPRGKRZSA-N 1 2 241.331 1.300 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2ccon2)CC1 ZINC000717452013 712658769 /nfs/dbraw/zinc/65/87/69/712658769.db2.gz RQEKDHNPFBGASR-UHFFFAOYSA-N 1 2 222.288 1.578 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000932153107 712715813 /nfs/dbraw/zinc/71/58/13/712715813.db2.gz MZEIJBJQYYXHKU-CHWSQXEVSA-N 1 2 238.331 1.765 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000932153107 712715814 /nfs/dbraw/zinc/71/58/14/712715814.db2.gz MZEIJBJQYYXHKU-CHWSQXEVSA-N 1 2 238.331 1.765 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CSC)CC1 ZINC000719233134 712800930 /nfs/dbraw/zinc/80/09/30/712800930.db2.gz UMOHIZNMDRQEGO-LLVKDONJSA-N 1 2 243.372 1.789 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720864821 712871530 /nfs/dbraw/zinc/87/15/30/712871530.db2.gz LYYQRPDXIFPWKX-SRVKXCTJSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720864821 712871531 /nfs/dbraw/zinc/87/15/31/712871531.db2.gz LYYQRPDXIFPWKX-SRVKXCTJSA-N 1 2 208.305 1.789 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000693038343 957530407 /nfs/dbraw/zinc/53/04/07/957530407.db2.gz OVWLXNPLMZNLQF-CHWSQXEVSA-N 1 2 238.331 1.418 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000693038343 957530410 /nfs/dbraw/zinc/53/04/10/957530410.db2.gz OVWLXNPLMZNLQF-CHWSQXEVSA-N 1 2 238.331 1.418 20 30 BDEDLO C=CC[NH+]1CCN(c2nc(C)ccc2F)CC1 ZINC001165033664 721865063 /nfs/dbraw/zinc/86/50/63/721865063.db2.gz UQGYGIQKZNQRJH-UHFFFAOYSA-N 1 2 235.306 1.837 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C=C(C)C ZINC001267185115 959084473 /nfs/dbraw/zinc/08/44/73/959084473.db2.gz LYHNUQFELQXKIR-UHFFFAOYSA-N 1 2 230.739 1.753 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C=C(C)C ZINC001267185115 959084488 /nfs/dbraw/zinc/08/44/88/959084488.db2.gz LYHNUQFELQXKIR-UHFFFAOYSA-N 1 2 230.739 1.753 20 30 BDEDLO Cc1nc(NCc2nc(C#N)cs2)cc[nH+]1 ZINC001164249243 965808893 /nfs/dbraw/zinc/80/88/93/965808893.db2.gz KKZRBJZBQCOKCW-UHFFFAOYSA-N 1 2 231.284 1.725 20 30 BDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252452946 968711471 /nfs/dbraw/zinc/71/14/71/968711471.db2.gz FOUKYNAYPSKIMJ-NSHDSACASA-N 1 2 249.301 1.671 20 30 BDEDLO C=CCOC[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252452946 968711474 /nfs/dbraw/zinc/71/14/74/968711474.db2.gz FOUKYNAYPSKIMJ-NSHDSACASA-N 1 2 249.301 1.671 20 30 BDEDLO CC[C@@](C)(C#N)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255614611 970400041 /nfs/dbraw/zinc/40/00/41/970400041.db2.gz BSDBQJSOESBLGZ-LBPRGKRZSA-N 1 2 238.331 1.954 20 30 BDEDLO C=CC(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC001333581011 975864136 /nfs/dbraw/zinc/86/41/36/975864136.db2.gz LVISNPZHFPROIB-UHFFFAOYSA-N 1 2 207.277 1.043 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCCSCC1)C(=O)OC ZINC001333907667 976141232 /nfs/dbraw/zinc/14/12/32/976141232.db2.gz IBCZZDSQHOFGAC-WDEREUQCSA-N 1 2 241.356 1.427 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC001335267977 976914049 /nfs/dbraw/zinc/91/40/49/976914049.db2.gz UGLRQLSVEZMURB-QWRGUYRKSA-N 1 2 238.335 1.711 20 30 BDEDLO C#C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001336799933 977970902 /nfs/dbraw/zinc/97/09/02/977970902.db2.gz AZRGKRZXDXLIMX-LLVKDONJSA-N 1 2 238.674 1.881 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(C#N)n1 ZINC001232922053 978337008 /nfs/dbraw/zinc/33/70/08/978337008.db2.gz MCDOEWYDPVYMOP-NXEZZACHSA-N 1 2 219.263 1.886 20 30 BDEDLO C#CCCCNC(=O)CN(C)c1cccc[nH+]1 ZINC001177414082 978351586 /nfs/dbraw/zinc/35/15/86/978351586.db2.gz RHZXRACYPVTLQU-UHFFFAOYSA-N 1 2 231.299 1.047 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C(=O)OCC ZINC001181453769 979102943 /nfs/dbraw/zinc/10/29/43/979102943.db2.gz BUNOHSDUDVBWAR-KXNHARMFSA-N 1 2 239.315 1.119 20 30 BDEDLO N#Cc1cnccc1SCCn1cc[nH+]c1 ZINC001189702124 980811249 /nfs/dbraw/zinc/81/12/49/980811249.db2.gz HXFUYLAANIDGRA-UHFFFAOYSA-N 1 2 230.296 1.942 20 30 BDEDLO CCOC(=O)C(F)(F)C[NH2+][C@H](C)CCCC#N ZINC001172478293 974777259 /nfs/dbraw/zinc/77/72/59/974777259.db2.gz DRYYDOQQUCOGFH-SECBINFHSA-N 1 2 248.273 1.857 20 30 BDEDLO C=CC[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327899203 972800028 /nfs/dbraw/zinc/80/00/28/972800028.db2.gz YCARNFMIYPCZQP-SNVBAGLBSA-N 1 2 206.293 1.593 20 30 BDEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327899203 972800032 /nfs/dbraw/zinc/80/00/32/972800032.db2.gz YCARNFMIYPCZQP-SNVBAGLBSA-N 1 2 206.293 1.593 20 30 BDEDLO COC(C)(CNc1[nH+]cccc1CC#N)OC ZINC001170432822 970805205 /nfs/dbraw/zinc/80/52/05/970805205.db2.gz KVXBOCAZTVXEJS-UHFFFAOYSA-N 1 2 235.287 1.569 20 30 BDEDLO C[C@@H]1CC([NH+]2CC(C)(C#N)C2)C[C@@H](C)O1 ZINC001257089037 971102362 /nfs/dbraw/zinc/10/23/62/971102362.db2.gz DJIZYQGTCXRRSM-NXEZZACHSA-N 1 2 208.305 1.788 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CC ZINC001257428028 971333557 /nfs/dbraw/zinc/33/35/57/971333557.db2.gz YXQDGWIYCHVGMM-YUMQZZPRSA-N 1 2 205.323 1.236 20 30 BDEDLO CCCCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001257513854 971434208 /nfs/dbraw/zinc/43/42/08/971434208.db2.gz WWFGLFBWQCWHJI-NWDGAFQWSA-N 1 2 209.337 1.753 20 30 BDEDLO N#CC=C(O)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218286791 971682878 /nfs/dbraw/zinc/68/28/78/971682878.db2.gz UMUKUEHKHAMZLM-LLVKDONJSA-N 1 2 244.294 1.914 20 30 BDEDLO C=C1O[C@@H](C)C(=O)C1Oc1cc[nH+]cc1 ZINC001225290678 974360459 /nfs/dbraw/zinc/36/04/59/974360459.db2.gz FUBAVZDIBIQLPP-ZETCQYMHSA-N 1 2 205.213 1.680 20 30 BDEDLO Cc1nnn([NH+]=C[C@H](C)CCC#N)c1C ZINC001330890838 974524845 /nfs/dbraw/zinc/52/48/45/974524845.db2.gz BAGOJCBSTHCTHZ-MRVPVSSYSA-N 1 2 205.265 1.669 20 30 BDEDLO COc1ncc(-c2c[nH+]c(N)c(C)c2)cc1C#N ZINC001245538250 971852518 /nfs/dbraw/zinc/85/25/18/971852518.db2.gz ZTUQIWCOKNIKHO-UHFFFAOYSA-N 1 2 240.266 1.915 20 30 BDEDLO C#CC[N@H+](Cc1[nH]ncc1C)C(C)(C)C ZINC000932459999 957339937 /nfs/dbraw/zinc/33/99/37/957339937.db2.gz DDIZUKWIPVUAED-UHFFFAOYSA-N 1 2 205.305 1.952 20 30 BDEDLO N#CCC[NH2+]Cc1cccc2c1OCC2 ZINC000693173345 957787652 /nfs/dbraw/zinc/78/76/52/957787652.db2.gz JALKGSVVVKTOCU-UHFFFAOYSA-N 1 2 202.257 1.625 20 30 BDEDLO N#CCc1cccc(NCc2cc[nH+]c(N)c2)n1 ZINC001167617356 959082593 /nfs/dbraw/zinc/08/25/93/959082593.db2.gz KLXJEVHVTKFQSC-UHFFFAOYSA-N 1 2 239.282 1.737 20 30 BDEDLO CC1(C)C[C@@H](C[NH+]2CC(C#N)C2)CCO1 ZINC001207353250 959218825 /nfs/dbraw/zinc/21/88/25/959218825.db2.gz MTIUTABBMMTUNX-JTQLQIEISA-N 1 2 208.305 1.647 20 30 BDEDLO CSCCO[NH+]=Cc1c(Cl)nc(N)n1C ZINC000382279867 959273755 /nfs/dbraw/zinc/27/37/55/959273755.db2.gz ISHJMYQPXKNSFK-UHFFFAOYSA-N 1 2 248.739 1.200 20 30 BDEDLO C=CCN(CC=C)C(=O)C[C@H]([NH3+])C(F)F ZINC000724699460 959286490 /nfs/dbraw/zinc/28/64/90/959286490.db2.gz IYYQESRYYREWPZ-QMMMGPOBSA-N 1 2 218.247 1.170 20 30 BDEDLO CCOC(C[N@@H+]1CC[C@@](C)(C#N)C1)OCC ZINC000693971089 959623952 /nfs/dbraw/zinc/62/39/52/959623952.db2.gz FCBKEYCOFPQNMG-LBPRGKRZSA-N 1 2 226.320 1.621 20 30 BDEDLO CCOC(C[N@H+]1CC[C@@](C)(C#N)C1)OCC ZINC000693971089 959623955 /nfs/dbraw/zinc/62/39/55/959623955.db2.gz FCBKEYCOFPQNMG-LBPRGKRZSA-N 1 2 226.320 1.621 20 30 BDEDLO C=CCn1cc(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001222386821 972453481 /nfs/dbraw/zinc/45/34/81/972453481.db2.gz VCQNHRHMZNTGGN-UHFFFAOYSA-N 1 2 239.282 1.966 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCC1C[NH+](CCF)C1 ZINC001267691938 960209433 /nfs/dbraw/zinc/20/94/33/960209433.db2.gz XCTQIGRWVNQHBR-ZDUSSCGKSA-N 1 2 242.338 1.606 20 30 BDEDLO N#Cc1cccc([N+](=O)[O-])c1Cn1cc[nH+]c1 ZINC001167728777 960258004 /nfs/dbraw/zinc/25/80/04/960258004.db2.gz UYJKLDRJFBJMMV-UHFFFAOYSA-N 1 2 228.211 1.711 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160370 960896351 /nfs/dbraw/zinc/89/63/51/960896351.db2.gz VZTNYUSSZMFFON-VIFPVBQESA-N 1 2 218.256 1.443 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160370 960896356 /nfs/dbraw/zinc/89/63/56/960896356.db2.gz VZTNYUSSZMFFON-VIFPVBQESA-N 1 2 218.256 1.443 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cn2c(n1)COCC2 ZINC001141534825 961102847 /nfs/dbraw/zinc/10/28/47/961102847.db2.gz DACUUORXPCCSNA-UHFFFAOYSA-N 1 2 233.315 1.587 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CCCC2CC2)C1 ZINC001481578491 961224002 /nfs/dbraw/zinc/22/40/02/961224002.db2.gz DNAVKVYSOZIPMO-UHFFFAOYSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(CCC)CCC2)C1 ZINC001481578294 961225947 /nfs/dbraw/zinc/22/59/47/961225947.db2.gz BCVXAOWBSFKIPU-UHFFFAOYSA-N 1 2 248.370 1.781 20 30 BDEDLO C#Cc1cc(Nc2cc(F)nc(F)c2)cc[nH+]1 ZINC001213077467 961692992 /nfs/dbraw/zinc/69/29/92/961692992.db2.gz ZILFIUFKLWBHMS-UHFFFAOYSA-N 1 2 231.205 1.902 20 30 BDEDLO C#C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001143137422 961886431 /nfs/dbraw/zinc/88/64/31/961886431.db2.gz ZJWGMOWNSCFQES-CYBMUJFWSA-N 1 2 239.278 1.374 20 30 BDEDLO Cc1ccc(CN2CCC[C@H]2C#N)c(N)[nH+]1 ZINC001143194723 961932616 /nfs/dbraw/zinc/93/26/16/961932616.db2.gz IYXJOCNQRWBOFH-NSHDSACASA-N 1 2 216.288 1.460 20 30 BDEDLO N#CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001143196836 961932752 /nfs/dbraw/zinc/93/27/52/961932752.db2.gz JKWTXGUSZMIEOP-UHFFFAOYSA-N 1 2 232.287 1.419 20 30 BDEDLO N#CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001143196836 961932762 /nfs/dbraw/zinc/93/27/62/961932762.db2.gz JKWTXGUSZMIEOP-UHFFFAOYSA-N 1 2 232.287 1.419 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001269126630 962465130 /nfs/dbraw/zinc/46/51/30/962465130.db2.gz VFFTVBKEIQRGNB-LLVKDONJSA-N 1 2 240.322 1.196 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001269126630 962465116 /nfs/dbraw/zinc/46/51/16/962465116.db2.gz VFFTVBKEIQRGNB-LLVKDONJSA-N 1 2 240.322 1.196 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(F)F ZINC001482573376 963807562 /nfs/dbraw/zinc/80/75/62/963807562.db2.gz CQRWQOUXMSIHJQ-UHFFFAOYSA-N 1 2 240.681 1.394 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(F)F ZINC001482573376 963807565 /nfs/dbraw/zinc/80/75/65/963807565.db2.gz CQRWQOUXMSIHJQ-UHFFFAOYSA-N 1 2 240.681 1.394 20 30 BDEDLO COC(C)(CNc1cc(CC#N)cc[nH+]1)OC ZINC001159381490 964075424 /nfs/dbraw/zinc/07/54/24/964075424.db2.gz NOVRUWUFVVUBOU-UHFFFAOYSA-N 1 2 235.287 1.569 20 30 BDEDLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001229213605 964095458 /nfs/dbraw/zinc/09/54/58/964095458.db2.gz VLWJTYONZRHLAP-AWEZNQCLSA-N 1 2 246.310 1.576 20 30 BDEDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001229213605 964095468 /nfs/dbraw/zinc/09/54/68/964095468.db2.gz VLWJTYONZRHLAP-AWEZNQCLSA-N 1 2 246.310 1.576 20 30 BDEDLO Cc1ccc(NC(=N)c2nccs2)[nH+]c1N ZINC001168275680 964285105 /nfs/dbraw/zinc/28/51/05/964285105.db2.gz GAFUUEBJRCQAHT-UHFFFAOYSA-N 1 2 233.300 1.466 20 30 BDEDLO C=CC[NH2+]C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001483230166 964900954 /nfs/dbraw/zinc/90/09/54/964900954.db2.gz VONOVBHCVRVVIR-BQBZGAKWSA-N 1 2 242.216 1.167 20 30 BDEDLO C=CC[NH2+]C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001483230166 964900967 /nfs/dbraw/zinc/90/09/67/964900967.db2.gz VONOVBHCVRVVIR-BQBZGAKWSA-N 1 2 242.216 1.167 20 30 BDEDLO Cc1cc(N2CCOCC2)[nH+]cc1NCC#N ZINC001163183521 965289421 /nfs/dbraw/zinc/28/94/21/965289421.db2.gz OLCJLLGZPDWOPO-UHFFFAOYSA-N 1 2 232.287 1.162 20 30 BDEDLO Cc1cc(CNc2ccnc(C#N)c2)cc(C)[nH+]1 ZINC001163530828 965429514 /nfs/dbraw/zinc/42/95/14/965429514.db2.gz LORWGFNQUDYDGQ-UHFFFAOYSA-N 1 2 238.294 1.999 20 30 BDEDLO CC(=O)NCc1ccc(NCCCCC#N)[nH+]c1 ZINC001168428236 965466085 /nfs/dbraw/zinc/46/60/85/965466085.db2.gz ZPCGQSFJHHMLLD-UHFFFAOYSA-N 1 2 246.314 1.823 20 30 BDEDLO CC(=O)C=C(C)Nc1nc2[nH]ccc2c[nH+]1 ZINC001163737299 965551754 /nfs/dbraw/zinc/55/17/54/965551754.db2.gz VDLGFJYBDJLMKW-ALCCZGGFSA-N 1 2 216.244 1.814 20 30 BDEDLO CCOC(=O)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001203762391 966776073 /nfs/dbraw/zinc/77/60/73/966776073.db2.gz FWJWZZQBLIZPSN-UHFFFAOYSA-N 1 2 244.294 1.553 20 30 BDEDLO C#Cc1ccc(C[NH2+][C@@H](C)c2nnnn2C)cc1 ZINC001203943898 966824426 /nfs/dbraw/zinc/82/44/26/966824426.db2.gz GFBMZKBWGFPHNX-JTQLQIEISA-N 1 2 241.298 1.042 20 30 BDEDLO C#CCOC1C[NH+](Cc2ccccc2)C1 ZINC001205006793 967285840 /nfs/dbraw/zinc/28/58/40/967285840.db2.gz VOKNQVBJRCLVNB-UHFFFAOYSA-N 1 2 201.269 1.521 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cccnc1N ZINC001205304765 967504162 /nfs/dbraw/zinc/50/41/62/967504162.db2.gz CZWIOSRZARQUOL-UHFFFAOYSA-N 1 2 204.277 1.303 20 30 BDEDLO N#Cc1ccc(CC[NH+]2CCOCC2)cc1F ZINC001250277822 967612086 /nfs/dbraw/zinc/61/20/86/967612086.db2.gz OGXNMJQIZVEVJN-UHFFFAOYSA-N 1 2 234.274 1.572 20 30 BDEDLO CNc1ccc(-n2c(C)c(C)c(C#N)c2N)c[nH+]1 ZINC001203448616 967713480 /nfs/dbraw/zinc/71/34/80/967713480.db2.gz BVJAFLHVWIDNDB-UHFFFAOYSA-N 1 2 241.298 1.985 20 30 BDEDLO C#CCNc1nc2[nH]c(C(=O)OCC)cc2c[nH+]1 ZINC001163363148 968025393 /nfs/dbraw/zinc/02/53/93/968025393.db2.gz IBWPHRKIZRTYCN-UHFFFAOYSA-N 1 2 244.254 1.131 20 30 BDEDLO C#CCOC[C@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001251819057 968351504 /nfs/dbraw/zinc/35/15/04/968351504.db2.gz GGLOVCYDWBFGTA-CQSZACIVSA-N 1 2 248.326 1.175 20 30 BDEDLO COC(CN(C)c1cc(CC#N)cc[nH+]1)OC ZINC001167031929 968423975 /nfs/dbraw/zinc/42/39/75/968423975.db2.gz SRTJGLIZTFMFGF-UHFFFAOYSA-N 1 2 235.287 1.203 20 30 BDEDLO C=CC(C)(C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000820437856 968475685 /nfs/dbraw/zinc/47/56/85/968475685.db2.gz AWUNTXPDDLMSSK-LLVKDONJSA-N 1 2 248.330 1.095 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001085467291 968743276 /nfs/dbraw/zinc/74/32/76/968743276.db2.gz OWHNYZFIQBJANC-LLVKDONJSA-N 1 2 248.351 1.528 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001085467291 968743288 /nfs/dbraw/zinc/74/32/88/968743288.db2.gz OWHNYZFIQBJANC-LLVKDONJSA-N 1 2 248.351 1.528 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001252546790 968783663 /nfs/dbraw/zinc/78/36/63/968783663.db2.gz CDBRSINRZCPZRB-UWVGGRQHSA-N 1 2 237.265 1.993 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001252546790 968783668 /nfs/dbraw/zinc/78/36/68/968783668.db2.gz CDBRSINRZCPZRB-UWVGGRQHSA-N 1 2 237.265 1.993 20 30 BDEDLO C=C[C@](C)(O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252546637 968784190 /nfs/dbraw/zinc/78/41/90/968784190.db2.gz BFROVCGFKAXPJZ-CABZTGNLSA-N 1 2 222.288 1.484 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001252571419 968820093 /nfs/dbraw/zinc/82/00/93/968820093.db2.gz ITFGGMOSSOXNID-CMPLNLGQSA-N 1 2 229.320 1.101 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001252556632 968801344 /nfs/dbraw/zinc/80/13/44/968801344.db2.gz FFGWPIDFBHUJHY-KBPBESRZSA-N 1 2 248.326 1.392 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001252556632 968801346 /nfs/dbraw/zinc/80/13/46/968801346.db2.gz FFGWPIDFBHUJHY-KBPBESRZSA-N 1 2 248.326 1.392 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001252572002 968823097 /nfs/dbraw/zinc/82/30/97/968823097.db2.gz MDXUXMHGYBCJRQ-JBLDHEPKSA-N 1 2 229.320 1.101 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085776088 968846990 /nfs/dbraw/zinc/84/69/90/968846990.db2.gz JCIRCMFMGLKMNN-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085776088 968846999 /nfs/dbraw/zinc/84/69/99/968846999.db2.gz JCIRCMFMGLKMNN-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C[C@H](C(=O)N(C)[C@H]1CCC[C@H]1C#N)n1cc[nH+]c1 ZINC001329593596 969525455 /nfs/dbraw/zinc/52/54/55/969525455.db2.gz RCKINRVCUCOPRZ-WOPDTQHZSA-N 1 2 246.314 1.595 20 30 BDEDLO N#CCc1ccc[nH+]c1N[C@H]1CCC[C@@H](O)C1 ZINC001169245007 969529212 /nfs/dbraw/zinc/52/92/12/969529212.db2.gz PYQFPDRQVYRXLN-NWDGAFQWSA-N 1 2 231.299 1.863 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC(F)(F)CC1 ZINC001254218930 969545905 /nfs/dbraw/zinc/54/59/05/969545905.db2.gz XBGNTKKIIAMFRT-SNVBAGLBSA-N 1 2 229.274 1.362 20 30 BDEDLO CSc1cccnc1N1CC[NH2+]C[C@@H]1C#N ZINC001156319985 969636461 /nfs/dbraw/zinc/63/64/61/969636461.db2.gz KYLOFWNGIWBETE-VIFPVBQESA-N 1 2 234.328 1.105 20 30 BDEDLO C[N@@H+]1CCOC[C@H]1CNc1cccc(/C=N/O)c1 ZINC001169658634 969802920 /nfs/dbraw/zinc/80/29/20/969802920.db2.gz YWTDBSQNAYHGHJ-MGMWDDNKSA-N 1 2 249.314 1.237 20 30 BDEDLO C[N@H+]1CCOC[C@H]1CNc1cccc(/C=N/O)c1 ZINC001169658634 969802924 /nfs/dbraw/zinc/80/29/24/969802924.db2.gz YWTDBSQNAYHGHJ-MGMWDDNKSA-N 1 2 249.314 1.237 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001169780062 969853712 /nfs/dbraw/zinc/85/37/12/969853712.db2.gz JTGZIPNILQESRT-QMMMGPOBSA-N 1 2 241.722 1.760 20 30 BDEDLO Cc1[nH+]cc(Nc2cnn(C)c2C#N)cc1N ZINC001210289125 969857145 /nfs/dbraw/zinc/85/71/45/969857145.db2.gz VTVITSHUVHPVDT-UHFFFAOYSA-N 1 2 228.259 1.321 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(C)c2[nH]ccc2[nH+]1 ZINC001169784192 969858575 /nfs/dbraw/zinc/85/85/75/969858575.db2.gz CMDJNLPNQJQWHA-VIFPVBQESA-N 1 2 217.272 1.830 20 30 BDEDLO C#Cc1cc(Nc2cncc(N)c2)cc[nH+]1 ZINC001210435564 969885914 /nfs/dbraw/zinc/88/59/14/969885914.db2.gz IDKMDFMCJREZAW-UHFFFAOYSA-N 1 2 210.240 1.206 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001255175525 969994290 /nfs/dbraw/zinc/99/42/90/969994290.db2.gz PXGJQXJODUBFGS-MNOVXSKESA-N 1 2 223.320 1.231 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001255175525 969994299 /nfs/dbraw/zinc/99/42/99/969994299.db2.gz PXGJQXJODUBFGS-MNOVXSKESA-N 1 2 223.320 1.231 20 30 BDEDLO C=CC[C@@](C)([NH2+][C@H]1CCSC1)C(=O)OC ZINC001255278731 970030411 /nfs/dbraw/zinc/03/04/11/970030411.db2.gz AXMZSIUGNOQGEC-GXSJLCMTSA-N 1 2 229.345 1.589 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001112809093 970188425 /nfs/dbraw/zinc/18/84/25/970188425.db2.gz YMUHJFQTZNKULE-ZDUSSCGKSA-N 1 2 236.359 1.590 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(CCF)CC2)CC1 ZINC001113143063 970356433 /nfs/dbraw/zinc/35/64/33/970356433.db2.gz SGBXVCUIABRZNK-UHFFFAOYSA-N 1 2 240.322 1.456 20 30 BDEDLO N#Cc1cnccc1Nc1cccn2cc[nH+]c12 ZINC001214004615 970408833 /nfs/dbraw/zinc/40/88/33/970408833.db2.gz KLZUEXHDNMZRRR-UHFFFAOYSA-N 1 2 235.250 1.766 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN(C(C)=O)C(C)C ZINC001278888624 970500535 /nfs/dbraw/zinc/50/05/35/970500535.db2.gz FNPAANFZKHVXHU-UHFFFAOYSA-N 1 2 232.755 1.928 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN(C(C)=O)C(C)C ZINC001278888624 970500544 /nfs/dbraw/zinc/50/05/44/970500544.db2.gz FNPAANFZKHVXHU-UHFFFAOYSA-N 1 2 232.755 1.928 20 30 BDEDLO Cn1c[nH+]cc1CN1CCCC[C@H]1C#N ZINC000401844448 970738059 /nfs/dbraw/zinc/73/80/59/970738059.db2.gz PUZPQYLOYRPYGU-JTQLQIEISA-N 1 2 204.277 1.298 20 30 BDEDLO Cn1c[nH+]cc1CO[C@@H]1CC[C@@H](C#N)C1 ZINC001222587936 972589700 /nfs/dbraw/zinc/58/97/00/972589700.db2.gz UKZCNZMOYNBWFW-MWLCHTKSSA-N 1 2 205.261 1.629 20 30 BDEDLO C=C1O[C@@H](C)C(=O)C1OCc1c[nH+]cn1C ZINC001222594005 972594408 /nfs/dbraw/zinc/59/44/08/972594408.db2.gz BFRZPQSSEIFBQF-ZETCQYMHSA-N 1 2 222.244 1.156 20 30 BDEDLO C=C(C)C(=O)OC[C@H](C)OCc1c[nH+]cn1C ZINC001222595275 972596105 /nfs/dbraw/zinc/59/61/05/972596105.db2.gz VRXRDYPGDHKPQM-JTQLQIEISA-N 1 2 238.287 1.445 20 30 BDEDLO C#C[C@@H](OCc1c[nH+]cn1C)c1ccncc1 ZINC001222599777 972600246 /nfs/dbraw/zinc/60/02/46/972600246.db2.gz FPVGBWIWSKVIEC-CYBMUJFWSA-N 1 2 227.267 1.706 20 30 BDEDLO C=C1O[C@H](CC)C(=O)C1OCc1c[nH+]cn1C ZINC001222600445 972600515 /nfs/dbraw/zinc/60/05/15/972600515.db2.gz PIEPJEGKIAHLQL-SNVBAGLBSA-N 1 2 236.271 1.546 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144185388 972677080 /nfs/dbraw/zinc/67/70/80/972677080.db2.gz FSVQNHPECUSHSF-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144185388 972677085 /nfs/dbraw/zinc/67/70/85/972677085.db2.gz FSVQNHPECUSHSF-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC001329792946 973937196 /nfs/dbraw/zinc/93/71/96/973937196.db2.gz NNUCJZLBVJIIPD-SECBINFHSA-N 1 2 225.317 1.315 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001329792946 973937209 /nfs/dbraw/zinc/93/72/09/973937209.db2.gz NNUCJZLBVJIIPD-SECBINFHSA-N 1 2 225.317 1.315 20 30 BDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccs2)C1 ZINC000586063995 973939434 /nfs/dbraw/zinc/93/94/34/973939434.db2.gz JNPZXAUXYYLLEL-NSHDSACASA-N 1 2 248.351 1.576 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccs2)C1 ZINC000586063995 973939444 /nfs/dbraw/zinc/93/94/44/973939444.db2.gz JNPZXAUXYYLLEL-NSHDSACASA-N 1 2 248.351 1.576 20 30 BDEDLO CC[N@H+](CC1CCC(O)CC1)[C@H](C)C#N ZINC001329910564 974022589 /nfs/dbraw/zinc/02/25/89/974022589.db2.gz GJSQRIKCDKMKMC-VOMCLLRMSA-N 1 2 210.321 1.771 20 30 BDEDLO CC[N@@H+](CC1CCC(O)CC1)[C@H](C)C#N ZINC001329910564 974022604 /nfs/dbraw/zinc/02/26/04/974022604.db2.gz GJSQRIKCDKMKMC-VOMCLLRMSA-N 1 2 210.321 1.771 20 30 BDEDLO C=C[C@H](OCCCCC(=[NH2+])OCC)C(=O)OC ZINC001224965371 974106318 /nfs/dbraw/zinc/10/63/18/974106318.db2.gz JLYOVUWUVUKSCN-JTQLQIEISA-N 1 2 243.303 1.915 20 30 BDEDLO N#CC1([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CCCC1 ZINC001172233796 974476746 /nfs/dbraw/zinc/47/67/46/974476746.db2.gz MKWKOACJRVOLQN-YOGCLGLASA-N 1 2 218.300 1.898 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(C#N)nc2)C1 ZINC001225497285 974531556 /nfs/dbraw/zinc/53/15/56/974531556.db2.gz CVOXQXTYIWIRFP-UHFFFAOYSA-N 1 2 203.245 1.036 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OCC ZINC001331728954 974805105 /nfs/dbraw/zinc/80/51/05/974805105.db2.gz QNEPAVJGSKEVKS-WOPDTQHZSA-N 1 2 241.331 1.651 20 30 BDEDLO C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)n1cc[nH+]c1 ZINC001331970582 974898208 /nfs/dbraw/zinc/89/82/08/974898208.db2.gz NENJVIAOOFSQAB-GARJFASQSA-N 1 2 232.287 1.253 20 30 BDEDLO N#CC1(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)CC1 ZINC001332365200 975074163 /nfs/dbraw/zinc/07/41/63/975074163.db2.gz MVPYJBYSYDFTOF-SNVBAGLBSA-N 1 2 248.248 1.537 20 30 BDEDLO N#CC1(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)CC1 ZINC001332365200 975074170 /nfs/dbraw/zinc/07/41/70/975074170.db2.gz MVPYJBYSYDFTOF-SNVBAGLBSA-N 1 2 248.248 1.537 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)CSCC)C(=O)OC ZINC001173290118 975258718 /nfs/dbraw/zinc/25/87/18/975258718.db2.gz CZFKAULHWNEBPG-UWVGGRQHSA-N 1 2 231.361 1.835 20 30 BDEDLO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173749204 975544644 /nfs/dbraw/zinc/54/46/44/975544644.db2.gz GJNPFEMTIRKQIR-GMTAPVOTSA-N 1 2 234.307 1.049 20 30 BDEDLO C[NH+]1CC(Oc2ccc(C#N)c(C#N)c2)C1 ZINC001228256862 976023998 /nfs/dbraw/zinc/02/39/98/976023998.db2.gz CGEVMLJMQOONKZ-UHFFFAOYSA-N 1 2 213.240 1.123 20 30 BDEDLO C#Cc1cc(Nc2cn(C)nc2C)cc[nH+]1 ZINC001174333301 976548751 /nfs/dbraw/zinc/54/87/51/976548751.db2.gz KZQIBIBONAVCIT-UHFFFAOYSA-N 1 2 212.256 1.270 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(N)cc1 ZINC001334754687 976623446 /nfs/dbraw/zinc/62/34/46/976623446.db2.gz RFJFBLXTHJZDQM-CYBMUJFWSA-N 1 2 216.284 1.103 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(N)cc1 ZINC001334754687 976623442 /nfs/dbraw/zinc/62/34/42/976623442.db2.gz RFJFBLXTHJZDQM-CYBMUJFWSA-N 1 2 216.284 1.103 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC001334900236 976781915 /nfs/dbraw/zinc/78/19/15/976781915.db2.gz OMIBUAOZCIXQCR-CYBMUJFWSA-N 1 2 248.330 1.390 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC001334900236 976781928 /nfs/dbraw/zinc/78/19/28/976781928.db2.gz OMIBUAOZCIXQCR-CYBMUJFWSA-N 1 2 248.330 1.390 20 30 BDEDLO N#C[C@H]1CC[C@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC001335401798 977030394 /nfs/dbraw/zinc/03/03/94/977030394.db2.gz PBPQQTGTULSUQB-JQWIXIFHSA-N 1 2 242.286 1.388 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1nnc(C(C)C)s1 ZINC001335490171 977093925 /nfs/dbraw/zinc/09/39/25/977093925.db2.gz QKJBDRIJSFYPNM-VIFPVBQESA-N 1 2 241.360 1.952 20 30 BDEDLO C#Cc1nccnc1N=C1CCC[N@@H+](C)C1 ZINC001175575186 977573691 /nfs/dbraw/zinc/57/36/91/977573691.db2.gz NAKCWELDQDFXAO-UHFFFAOYSA-N 1 2 214.272 1.089 20 30 BDEDLO C#Cc1nccnc1N=C1CCC[N@H+](C)C1 ZINC001175575186 977573695 /nfs/dbraw/zinc/57/36/95/977573695.db2.gz NAKCWELDQDFXAO-UHFFFAOYSA-N 1 2 214.272 1.089 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)COC(C)C)C1 ZINC001277564695 977742993 /nfs/dbraw/zinc/74/29/93/977742993.db2.gz LCXUIQVZAGHGMJ-UHFFFAOYSA-N 1 2 240.347 1.130 20 30 BDEDLO COc1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)cn1 ZINC001231936970 977807056 /nfs/dbraw/zinc/80/70/56/977807056.db2.gz UOWHRJBUPSIBSG-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO COc1cnc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC001231936970 977807063 /nfs/dbraw/zinc/80/70/63/977807063.db2.gz UOWHRJBUPSIBSG-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO C=CCC[C@H]1CCCN1c1nc(C)[nH+]c(N)n1 ZINC001336769141 977939361 /nfs/dbraw/zinc/93/93/61/977939361.db2.gz VZFVSPSZEQEUGD-JTQLQIEISA-N 1 2 233.319 1.697 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1cccnc1 ZINC001336778782 977950795 /nfs/dbraw/zinc/95/07/95/977950795.db2.gz CLVDQSYTADKMSV-AAEUAGOBSA-N 1 2 244.298 1.148 20 30 BDEDLO COc1cc[nH+]cc1Nc1ncc(C#N)nc1C ZINC001176119077 977952013 /nfs/dbraw/zinc/95/20/13/977952013.db2.gz UWBWMXJCLVGUHJ-UHFFFAOYSA-N 1 2 241.254 1.804 20 30 BDEDLO C#Cc1cc(Nc2ccc(=O)[nH]c2)cc[nH+]1 ZINC001176125196 977963216 /nfs/dbraw/zinc/96/32/16/977963216.db2.gz ZZJVIOWFCPYXBM-UHFFFAOYSA-N 1 2 211.224 1.329 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCF)C1 ZINC001277645401 977999959 /nfs/dbraw/zinc/99/99/59/977999959.db2.gz TZPBYMVKTTWLSD-UHFFFAOYSA-N 1 2 228.311 1.455 20 30 BDEDLO CCC[N@H+](CCC#N)Cc1ccc(N)nc1 ZINC001232368569 978038878 /nfs/dbraw/zinc/03/88/78/978038878.db2.gz MSNHXFHVXRWKGY-UHFFFAOYSA-N 1 2 218.304 1.789 20 30 BDEDLO CCC[N@@H+](CCC#N)Cc1ccc(N)nc1 ZINC001232368569 978038889 /nfs/dbraw/zinc/03/88/89/978038889.db2.gz MSNHXFHVXRWKGY-UHFFFAOYSA-N 1 2 218.304 1.789 20 30 BDEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2CF)c1 ZINC001232481772 978135641 /nfs/dbraw/zinc/13/56/41/978135641.db2.gz IBUUJUDANOUCFV-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001232481772 978135651 /nfs/dbraw/zinc/13/56/51/978135651.db2.gz IBUUJUDANOUCFV-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO Cc1noc(NC(=O)CCn2cc[nH+]c2)c1C#N ZINC001176872938 978222051 /nfs/dbraw/zinc/22/20/51/978222051.db2.gz VOLVXKTUGRMNRY-UHFFFAOYSA-N 1 2 245.242 1.080 20 30 BDEDLO CC(C)C[C@@](C)(C#N)NC(=O)CCn1cc[nH+]c1 ZINC001176883441 978225090 /nfs/dbraw/zinc/22/50/90/978225090.db2.gz GKMMNRKTTITQBZ-ZDUSSCGKSA-N 1 2 248.330 1.718 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC001232673650 978231547 /nfs/dbraw/zinc/23/15/47/978231547.db2.gz KNFPGSYGZZNJIU-LLVKDONJSA-N 1 2 220.247 1.808 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC001232673650 978231557 /nfs/dbraw/zinc/23/15/57/978231557.db2.gz KNFPGSYGZZNJIU-LLVKDONJSA-N 1 2 220.247 1.808 20 30 BDEDLO CC1(CO)C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232673580 978234174 /nfs/dbraw/zinc/23/41/74/978234174.db2.gz JNHFLLJCAVVWND-UHFFFAOYSA-N 1 2 232.283 1.078 20 30 BDEDLO C[N@H+](Cc1ccno1)Cc1cc(C#N)ccc1O ZINC001232677724 978243055 /nfs/dbraw/zinc/24/30/55/978243055.db2.gz IHMDOANUMNPDRE-UHFFFAOYSA-N 1 2 243.266 1.884 20 30 BDEDLO C[N@@H+](Cc1ccno1)Cc1cc(C#N)ccc1O ZINC001232677724 978243066 /nfs/dbraw/zinc/24/30/66/978243066.db2.gz IHMDOANUMNPDRE-UHFFFAOYSA-N 1 2 243.266 1.884 20 30 BDEDLO C=C(C)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001337254542 978250158 /nfs/dbraw/zinc/25/01/58/978250158.db2.gz SYIOZGPYODZKHX-JTQLQIEISA-N 1 2 219.288 1.280 20 30 BDEDLO C=C(C)CCC(=O)NCCc1cn(C)c[nH+]1 ZINC001337254471 978252087 /nfs/dbraw/zinc/25/20/87/978252087.db2.gz TWGDEOSNGHCPHD-UHFFFAOYSA-N 1 2 221.304 1.435 20 30 BDEDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232681849 978252760 /nfs/dbraw/zinc/25/27/60/978252760.db2.gz WKGAMZNFYTUMHE-ZDUSSCGKSA-N 1 2 244.294 1.817 20 30 BDEDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232681849 978252771 /nfs/dbraw/zinc/25/27/71/978252771.db2.gz WKGAMZNFYTUMHE-ZDUSSCGKSA-N 1 2 244.294 1.817 20 30 BDEDLO COCC1C[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001232888936 978323877 /nfs/dbraw/zinc/32/38/77/978323877.db2.gz UVFAQYJVGJEEGK-UHFFFAOYSA-N 1 2 234.274 1.776 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(C#N)n1 ZINC001232922053 978337002 /nfs/dbraw/zinc/33/70/02/978337002.db2.gz MCDOEWYDPVYMOP-NXEZZACHSA-N 1 2 219.263 1.886 20 30 BDEDLO C[N@H+](Cc1[nH]ccc1C#N)[C@H]1CCOC1 ZINC001233047210 978435126 /nfs/dbraw/zinc/43/51/26/978435126.db2.gz RJUVAISWWDILHS-JTQLQIEISA-N 1 2 205.261 1.107 20 30 BDEDLO C[N@@H+](Cc1[nH]ccc1C#N)[C@H]1CCOC1 ZINC001233047210 978435130 /nfs/dbraw/zinc/43/51/30/978435130.db2.gz RJUVAISWWDILHS-JTQLQIEISA-N 1 2 205.261 1.107 20 30 BDEDLO N#CCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177998384 978485400 /nfs/dbraw/zinc/48/54/00/978485400.db2.gz ROFPLBCPWKAPNO-UHFFFAOYSA-N 1 2 220.276 1.152 20 30 BDEDLO C=CCn1cnnc1SCCCn1cc[nH+]c1 ZINC001337814482 978511182 /nfs/dbraw/zinc/51/11/82/978511182.db2.gz OUZPCKXJWCOTKL-UHFFFAOYSA-N 1 2 249.343 1.843 20 30 BDEDLO CN(C)CC[N@H+](C)Cc1ccc(C#N)cc1O ZINC001233383866 978595611 /nfs/dbraw/zinc/59/56/11/978595611.db2.gz ZGURTQDFQVUAON-UHFFFAOYSA-N 1 2 233.315 1.257 20 30 BDEDLO CN(C)CC[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001233383866 978595612 /nfs/dbraw/zinc/59/56/12/978595612.db2.gz ZGURTQDFQVUAON-UHFFFAOYSA-N 1 2 233.315 1.257 20 30 BDEDLO C=CCCCN(CC)c1cc(N)nc[nH+]1 ZINC001338117260 978614594 /nfs/dbraw/zinc/61/45/94/978614594.db2.gz XSUMVBMBMLETAC-UHFFFAOYSA-N 1 2 206.293 1.851 20 30 BDEDLO C#CCO[C@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179092273 978666803 /nfs/dbraw/zinc/66/68/03/978666803.db2.gz LIPTWVOULCKLNS-SNVBAGLBSA-N 1 2 249.314 1.188 20 30 BDEDLO C#CCO[C@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179092273 978666807 /nfs/dbraw/zinc/66/68/07/978666807.db2.gz LIPTWVOULCKLNS-SNVBAGLBSA-N 1 2 249.314 1.188 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001179895695 978779663 /nfs/dbraw/zinc/77/96/63/978779663.db2.gz NPGIIKCWZPCAPO-SNVBAGLBSA-N 1 2 232.287 1.206 20 30 BDEDLO CC[NH+]1CC(Oc2ccccc2C=NO)C1 ZINC001234823749 978904748 /nfs/dbraw/zinc/90/47/48/978904748.db2.gz YBBJLIXRUYHTGZ-UHFFFAOYSA-N 1 2 220.272 1.578 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c[nH]c(C(=O)OCC)c1 ZINC001234950843 978937422 /nfs/dbraw/zinc/93/74/22/978937422.db2.gz RCTYJNJYDBDCBN-UHFFFAOYSA-N 1 2 244.294 1.260 20 30 BDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1CC#N ZINC001235523162 979060922 /nfs/dbraw/zinc/06/09/22/979060922.db2.gz LPYWQJPSMMYWKP-NSHDSACASA-N 1 2 246.310 1.746 20 30 BDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1CC#N ZINC001235523162 979060932 /nfs/dbraw/zinc/06/09/32/979060932.db2.gz LPYWQJPSMMYWKP-NSHDSACASA-N 1 2 246.310 1.746 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001602716677 979194240 /nfs/dbraw/zinc/19/42/40/979194240.db2.gz LOARDJLJJRVGMM-UHFFFAOYSA-N 1 2 245.261 1.071 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001602716677 979194248 /nfs/dbraw/zinc/19/42/48/979194248.db2.gz LOARDJLJJRVGMM-UHFFFAOYSA-N 1 2 245.261 1.071 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001602835341 979289397 /nfs/dbraw/zinc/28/93/97/979289397.db2.gz OHUUXIWPUPUFKR-NEPJUHHUSA-N 1 2 249.314 1.549 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001602835341 979289404 /nfs/dbraw/zinc/28/94/04/979289404.db2.gz OHUUXIWPUPUFKR-NEPJUHHUSA-N 1 2 249.314 1.549 20 30 BDEDLO C=CC(C)(C)NC(=O)C[C@H]([NH3+])C(F)F ZINC001341512481 979444800 /nfs/dbraw/zinc/44/48/00/979444800.db2.gz DOSKLZBMSWMESX-LURJTMIESA-N 1 2 206.236 1.050 20 30 BDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cccc(C#N)n1 ZINC001182828844 979655228 /nfs/dbraw/zinc/65/52/28/979655228.db2.gz LXOFJSBQAJSPCM-NSHDSACASA-N 1 2 244.298 1.374 20 30 BDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cccc(C#N)n1 ZINC001182828844 979655233 /nfs/dbraw/zinc/65/52/33/979655233.db2.gz LXOFJSBQAJSPCM-NSHDSACASA-N 1 2 244.298 1.374 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(O)c1 ZINC001236709041 979692098 /nfs/dbraw/zinc/69/20/98/979692098.db2.gz UZYFWOLTABQTKV-UHFFFAOYSA-N 1 2 217.243 1.600 20 30 BDEDLO C#C[C@H](CO)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC001183104233 979739787 /nfs/dbraw/zinc/73/97/87/979739787.db2.gz SMCYIWLERCNAMW-SECBINFHSA-N 1 2 238.356 1.524 20 30 BDEDLO CN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1CCC[C@H]1C#N ZINC001342285391 979752769 /nfs/dbraw/zinc/75/27/69/979752769.db2.gz QFZNCNBTBAYNMX-CIUDSAMLSA-N 1 2 245.273 1.120 20 30 BDEDLO C#Cc1cc(Nc2ccc([N+](=O)[O-])nc2)cc[nH+]1 ZINC001203561130 979788634 /nfs/dbraw/zinc/78/86/34/979788634.db2.gz UOQHDEZTDYBYQV-UHFFFAOYSA-N 1 2 240.222 1.532 20 30 BDEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC001237433653 979888159 /nfs/dbraw/zinc/88/81/59/979888159.db2.gz ANDQIRZUIKQUPV-UHFFFAOYSA-N 1 2 245.282 1.214 20 30 BDEDLO CC(=O)/C=C(/C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183934997 979902910 /nfs/dbraw/zinc/90/29/10/979902910.db2.gz FWXUHALELIXKOZ-CLFYSBASSA-N 1 2 247.298 1.205 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCOCC1)c1cnccn1 ZINC001184277736 980009181 /nfs/dbraw/zinc/00/91/81/980009181.db2.gz NBGSXAYYNLOKBF-NSHDSACASA-N 1 2 246.314 1.448 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]ccc2=O)C1 ZINC001237844365 980097661 /nfs/dbraw/zinc/09/76/61/980097661.db2.gz WOXKPHUGBGAWQR-LBPRGKRZSA-N 1 2 217.272 1.110 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]ccc2=O)C1 ZINC001237844365 980097666 /nfs/dbraw/zinc/09/76/66/980097666.db2.gz WOXKPHUGBGAWQR-LBPRGKRZSA-N 1 2 217.272 1.110 20 30 BDEDLO C=C(CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001346443812 980838471 /nfs/dbraw/zinc/83/84/71/980838471.db2.gz DFUYERSGQAFALN-UHFFFAOYSA-N 1 2 205.261 1.233 20 30 BDEDLO C#CCOCC[NH2+]C1(C(=O)OCC)CCCC1 ZINC001347104017 980970353 /nfs/dbraw/zinc/97/03/53/980970353.db2.gz JJEHFRCCJLBQMY-UHFFFAOYSA-N 1 2 239.315 1.102 20 30 BDEDLO C#Cc1ccccc1C(=O)N(CC)C1C[NH+](C)C1 ZINC001191120385 980974822 /nfs/dbraw/zinc/97/48/22/980974822.db2.gz QOOZLGUGPPRIAO-UHFFFAOYSA-N 1 2 242.322 1.444 20 30 BDEDLO Cn1c[nH+]cc1CCCOC(=O)CCCCC#N ZINC001348637488 981412553 /nfs/dbraw/zinc/41/25/53/981412553.db2.gz IZWHDSZYEUFGPR-UHFFFAOYSA-N 1 2 249.314 1.980 20 30 BDEDLO Cc1cc(-c2ccn3cc[nH+]c3c2)nc(C#N)n1 ZINC001240496341 981418178 /nfs/dbraw/zinc/41/81/78/981418178.db2.gz BQPPMFFGTBDQQU-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@](C)(C#N)C1 ZINC001348878962 981467140 /nfs/dbraw/zinc/46/71/40/981467140.db2.gz GZQMCGLRBYGSOE-ZDUSSCGKSA-N 1 2 246.314 1.115 20 30 BDEDLO C=C(CC(C)C)C(=O)NCCc1[nH+]ccn1C ZINC001349308010 981530399 /nfs/dbraw/zinc/53/03/99/981530399.db2.gz VFQPJYLMEIDVDD-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)NC1(C#N)CCCCC1 ZINC001584455657 981869508 /nfs/dbraw/zinc/86/95/08/981869508.db2.gz DYAXTXYRFRGGRI-UHFFFAOYSA-N 1 2 246.314 1.305 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001351074962 982197925 /nfs/dbraw/zinc/19/79/25/982197925.db2.gz JGPVNISHAMLKOA-ZJUUUORDSA-N 1 2 232.287 1.347 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001351615724 982339998 /nfs/dbraw/zinc/33/99/98/982339998.db2.gz GDSPMLVAHXXGKT-NSHDSACASA-N 1 2 221.304 1.495 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001351615724 982340009 /nfs/dbraw/zinc/34/00/09/982340009.db2.gz GDSPMLVAHXXGKT-NSHDSACASA-N 1 2 221.304 1.495 20 30 BDEDLO C=C(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001352443642 982526307 /nfs/dbraw/zinc/52/63/07/982526307.db2.gz OEPFNDJBSMXETO-SECBINFHSA-N 1 2 205.261 1.410 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001352464228 982531928 /nfs/dbraw/zinc/53/19/28/982531928.db2.gz CZKMPGNQTWILLI-LBPRGKRZSA-N 1 2 245.326 1.225 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC001352889517 982624344 /nfs/dbraw/zinc/62/43/44/982624344.db2.gz IMNNKXYGCHKSAJ-UHFFFAOYSA-N 1 2 248.326 1.635 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC001352889517 982624349 /nfs/dbraw/zinc/62/43/49/982624349.db2.gz IMNNKXYGCHKSAJ-UHFFFAOYSA-N 1 2 248.326 1.635 20 30 BDEDLO C#C[C@@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001355289165 983463139 /nfs/dbraw/zinc/46/31/39/983463139.db2.gz AJQGKQNKBVAWNF-NSHDSACASA-N 1 2 231.299 1.459 20 30 BDEDLO COc1ccnc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC001356622907 983649257 /nfs/dbraw/zinc/64/92/57/983649257.db2.gz VWNARJSGAQZPGA-LLVKDONJSA-N 1 2 244.298 1.623 20 30 BDEDLO C[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866268663 983856812 /nfs/dbraw/zinc/85/68/12/983856812.db2.gz BITAXABYGNGNBU-UWVGGRQHSA-N 1 2 234.299 1.685 20 30 BDEDLO C=CCNC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001202578692 984085145 /nfs/dbraw/zinc/08/51/45/984085145.db2.gz ZIURQNUHYXJWOM-UHFFFAOYSA-N 1 2 234.303 1.593 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC001319553416 984283846 /nfs/dbraw/zinc/28/38/46/984283846.db2.gz UCXWDVZTAIRCKT-JTQLQIEISA-N 1 2 249.314 1.590 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC001319553416 984283854 /nfs/dbraw/zinc/28/38/54/984283854.db2.gz UCXWDVZTAIRCKT-JTQLQIEISA-N 1 2 249.314 1.590 20 30 BDEDLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001439221890 984384673 /nfs/dbraw/zinc/38/46/73/984384673.db2.gz FGSXNGLCUYYUFJ-NXEZZACHSA-N 1 2 215.256 1.219 20 30 BDEDLO COC(=O)c1cc(C#N)cc(-c2c[nH+]cn2C)c1 ZINC001243067330 984484636 /nfs/dbraw/zinc/48/46/36/984484636.db2.gz IITQYFWOKDIYJL-UHFFFAOYSA-N 1 2 241.250 1.745 20 30 BDEDLO Cn1c[nH+]cc1-c1ccc2ncc(C#N)n2c1 ZINC001243070681 984493009 /nfs/dbraw/zinc/49/30/09/984493009.db2.gz KDBGUTGZBVEXSN-UHFFFAOYSA-N 1 2 223.239 1.606 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC3(CCN3C)C2)cc1 ZINC001275131457 984501141 /nfs/dbraw/zinc/50/11/41/984501141.db2.gz FNXWYYUMOLPQKM-UHFFFAOYSA-N 1 2 226.323 1.558 20 30 BDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)CC(C)(C)C1=O ZINC001322961625 984535002 /nfs/dbraw/zinc/53/50/02/984535002.db2.gz KFJSNNCIGLNPEL-UHFFFAOYSA-N 1 2 248.326 1.074 20 30 BDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)CC(C)(C)C1=O ZINC001322961625 984535019 /nfs/dbraw/zinc/53/50/19/984535019.db2.gz KFJSNNCIGLNPEL-UHFFFAOYSA-N 1 2 248.326 1.074 20 30 BDEDLO C=CCO[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001446765371 984676507 /nfs/dbraw/zinc/67/65/07/984676507.db2.gz YAEPYNGSFUCCLM-NSHDSACASA-N 1 2 249.314 1.064 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc2oc(=O)oc2c1 ZINC001461928317 986235325 /nfs/dbraw/zinc/23/53/25/986235325.db2.gz SWELVJYMLKJSSJ-UHFFFAOYSA-N 1 2 241.246 1.454 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OC(C)(C)C ZINC001253605209 986259854 /nfs/dbraw/zinc/25/98/54/986259854.db2.gz PHBBBPVMDHOCAN-MNOVXSKESA-N 1 2 243.347 1.633 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](CCCCC)C(=O)OC ZINC001253610466 986284541 /nfs/dbraw/zinc/28/45/41/986284541.db2.gz DVMVNFQQPWEZSK-QWRGUYRKSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccoc2)C1 ZINC001042646918 986330356 /nfs/dbraw/zinc/33/03/56/986330356.db2.gz FHMJPENEIFFFDQ-UHFFFAOYSA-N 1 2 248.326 1.541 20 30 BDEDLO C=CCS(=O)(=O)Nc1ccn2cc[nH+]c2c1 ZINC001259923885 986359994 /nfs/dbraw/zinc/35/99/94/986359994.db2.gz FIFMBXHCMWHDHC-UHFFFAOYSA-N 1 2 237.284 1.262 20 30 BDEDLO C#CC1(O)C[NH+](CC[C@@H](C)c2ccccc2)C1 ZINC001462637458 986466735 /nfs/dbraw/zinc/46/67/35/986466735.db2.gz MYJFLNIDGRWJIN-CYBMUJFWSA-N 1 2 229.323 1.860 20 30 BDEDLO C=CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001463656434 986574690 /nfs/dbraw/zinc/57/46/90/986574690.db2.gz PCELHUKQXMRLJB-UHFFFAOYSA-N 1 2 241.294 1.717 20 30 BDEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001465143684 986691125 /nfs/dbraw/zinc/69/11/25/986691125.db2.gz RXKCWDRPFHLQID-UHFFFAOYSA-N 1 2 240.266 1.572 20 30 BDEDLO Cc1c(CN(C)CC#N)[nH+]c2ccccn12 ZINC001137273191 986712382 /nfs/dbraw/zinc/71/23/82/986712382.db2.gz HQLCAPQCYORNSV-UHFFFAOYSA-N 1 2 214.272 1.598 20 30 BDEDLO CC#CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001466460936 986801463 /nfs/dbraw/zinc/80/14/63/986801463.db2.gz FVDXZYHCUAEMIE-UHFFFAOYSA-N 1 2 227.267 1.706 20 30 BDEDLO CC[C@H](CC#N)[NH2+]C1(c2cnn(C)c2)CC1 ZINC001255156444 986830439 /nfs/dbraw/zinc/83/04/39/986830439.db2.gz PNRRKKGZPZMSHZ-LLVKDONJSA-N 1 2 218.304 1.691 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1ccc(O)cc1 ZINC001255163882 986838903 /nfs/dbraw/zinc/83/89/03/986838903.db2.gz ISVJUILCHBFEGN-YPMHNXCESA-N 1 2 234.299 1.707 20 30 BDEDLO CC[C@H](CC#N)[N@H+](C)CC(OC)OC ZINC001255173130 986863241 /nfs/dbraw/zinc/86/32/41/986863241.db2.gz IEHLNBOFAJOWTP-SECBINFHSA-N 1 2 200.282 1.229 20 30 BDEDLO CC[C@H](CC#N)[N@@H+](C)CC(OC)OC ZINC001255173130 986863247 /nfs/dbraw/zinc/86/32/47/986863247.db2.gz IEHLNBOFAJOWTP-SECBINFHSA-N 1 2 200.282 1.229 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001255173049 986864232 /nfs/dbraw/zinc/86/42/32/986864232.db2.gz VYEHXNSKXBJYBZ-VXGBXAGGSA-N 1 2 223.320 1.279 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001255173049 986864236 /nfs/dbraw/zinc/86/42/36/986864236.db2.gz VYEHXNSKXBJYBZ-VXGBXAGGSA-N 1 2 223.320 1.279 20 30 BDEDLO C=CC[C@H](CC)NC(=O)NCc1ccc[nH+]c1N ZINC001469982534 987010586 /nfs/dbraw/zinc/01/05/86/987010586.db2.gz WKYKHVRYTHSUDY-NSHDSACASA-N 1 2 248.330 1.818 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ocnc2C)CC1 ZINC001472945664 987304161 /nfs/dbraw/zinc/30/41/61/987304161.db2.gz CUMQECDPRYKKQF-UHFFFAOYSA-N 1 2 249.314 1.317 20 30 BDEDLO C[C@H](C(=O)NC1(C#N)CCCC1)n1cc[nH+]c1 ZINC001115999824 987423564 /nfs/dbraw/zinc/42/35/64/987423564.db2.gz LRVPTVVLXCMZFM-SNVBAGLBSA-N 1 2 232.287 1.397 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC001479241619 987895825 /nfs/dbraw/zinc/89/58/25/987895825.db2.gz RELIWPFXTLVNQK-LBPRGKRZSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC001479241619 987895828 /nfs/dbraw/zinc/89/58/28/987895828.db2.gz RELIWPFXTLVNQK-LBPRGKRZSA-N 1 2 236.359 1.589 20 30 BDEDLO CC[N@H+](CC#N)C[Si](C)(C)c1ccccc1 ZINC001321652712 987963106 /nfs/dbraw/zinc/96/31/06/987963106.db2.gz LMCVNZDOSLCLOO-UHFFFAOYSA-N 1 2 232.403 1.987 20 30 BDEDLO CC[N@@H+](CC#N)C[Si](C)(C)c1ccccc1 ZINC001321652712 987963111 /nfs/dbraw/zinc/96/31/11/987963111.db2.gz LMCVNZDOSLCLOO-UHFFFAOYSA-N 1 2 232.403 1.987 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001480344458 987966259 /nfs/dbraw/zinc/96/62/59/987966259.db2.gz IRCIMHFOYWFPHC-NSHDSACASA-N 1 2 222.332 1.363 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118092228 988015853 /nfs/dbraw/zinc/01/58/53/988015853.db2.gz DRMHOBWZSSDSJK-WOPDTQHZSA-N 1 2 249.314 1.151 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NCC1C[NH+](CCF)C1 ZINC001494583387 988164881 /nfs/dbraw/zinc/16/48/81/988164881.db2.gz HTLPRRSEJOKGLF-NSHDSACASA-N 1 2 242.338 1.606 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc[nH]1 ZINC001118505628 988405850 /nfs/dbraw/zinc/40/58/50/988405850.db2.gz FIRXWEPDZOKATQ-AOOOYVTPSA-N 1 2 204.277 1.488 20 30 BDEDLO C[C@@H](CCCC#N)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246708068 988450047 /nfs/dbraw/zinc/45/00/47/988450047.db2.gz XDLIWYBNFHELLL-NSHDSACASA-N 1 2 248.330 1.273 20 30 BDEDLO C[C@@H](CCCC#N)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246708068 988450062 /nfs/dbraw/zinc/45/00/62/988450062.db2.gz XDLIWYBNFHELLL-NSHDSACASA-N 1 2 248.330 1.273 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001499058234 988531652 /nfs/dbraw/zinc/53/16/52/988531652.db2.gz SZRWHLAHKVRJDB-ZDUSSCGKSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001499058234 988531660 /nfs/dbraw/zinc/53/16/60/988531660.db2.gz SZRWHLAHKVRJDB-ZDUSSCGKSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@@H+](Cc1cnns1)CC1CC1 ZINC001324489834 988853511 /nfs/dbraw/zinc/85/35/11/988853511.db2.gz XZKMGBGKKHIONZ-UHFFFAOYSA-N 1 2 207.302 1.383 20 30 BDEDLO C#CC[N@H+](Cc1cnns1)CC1CC1 ZINC001324489834 988853514 /nfs/dbraw/zinc/85/35/14/988853514.db2.gz XZKMGBGKKHIONZ-UHFFFAOYSA-N 1 2 207.302 1.383 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn(C)nc1C(F)F ZINC001324533489 988866157 /nfs/dbraw/zinc/86/61/57/988866157.db2.gz NUMHWAHIQREBNU-UHFFFAOYSA-N 1 2 213.231 1.423 20 30 BDEDLO C#CC[N@H+](C)Cc1cn(C)nc1C(F)F ZINC001324533489 988866161 /nfs/dbraw/zinc/86/61/61/988866161.db2.gz NUMHWAHIQREBNU-UHFFFAOYSA-N 1 2 213.231 1.423 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OCC ZINC001119301291 988907538 /nfs/dbraw/zinc/90/75/38/988907538.db2.gz AHRVZWFFDHUANN-DCAQKATOSA-N 1 2 229.320 1.507 20 30 BDEDLO CO[C@@H](CC(C)C)C[NH+]1CC(O)(CC#N)C1 ZINC001119303186 988917762 /nfs/dbraw/zinc/91/77/62/988917762.db2.gz ZMCUCBMNRJAANX-NSHDSACASA-N 1 2 226.320 1.008 20 30 BDEDLO C#CCC1(O)CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001119324886 988944731 /nfs/dbraw/zinc/94/47/31/988944731.db2.gz BKDQNFGCBHYAPR-JTQLQIEISA-N 1 2 249.314 1.289 20 30 BDEDLO CCCC[N@H+](CCC#N)Cc1cccc(=O)n1C ZINC001248807146 989164332 /nfs/dbraw/zinc/16/43/32/989164332.db2.gz HHNJFOSHNDKXJB-UHFFFAOYSA-N 1 2 247.342 1.901 20 30 BDEDLO CCCC[N@@H+](CCC#N)Cc1cccc(=O)n1C ZINC001248807146 989164341 /nfs/dbraw/zinc/16/43/41/989164341.db2.gz HHNJFOSHNDKXJB-UHFFFAOYSA-N 1 2 247.342 1.901 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2cc(OC)ccc2[nH]1 ZINC001249414424 989276418 /nfs/dbraw/zinc/27/64/18/989276418.db2.gz GQECPRLBCVDFEE-UHFFFAOYSA-N 1 2 229.283 1.637 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2cc(OC)ccc2[nH]1 ZINC001249414424 989276427 /nfs/dbraw/zinc/27/64/27/989276427.db2.gz GQECPRLBCVDFEE-UHFFFAOYSA-N 1 2 229.283 1.637 20 30 BDEDLO C#CC[N@@H+](Cc1ccncc1C#N)CC1CC1 ZINC001326040804 989340359 /nfs/dbraw/zinc/34/03/59/989340359.db2.gz DSRQYDWRXFSOEI-UHFFFAOYSA-N 1 2 225.295 1.798 20 30 BDEDLO C#CC[N@H+](Cc1ccncc1C#N)CC1CC1 ZINC001326040804 989340369 /nfs/dbraw/zinc/34/03/69/989340369.db2.gz DSRQYDWRXFSOEI-UHFFFAOYSA-N 1 2 225.295 1.798 20 30 BDEDLO C=CCONC(=O)NCc1cc[nH+]c(NC)c1 ZINC001519394963 989403836 /nfs/dbraw/zinc/40/38/36/989403836.db2.gz HHWPUXCWISQTLF-UHFFFAOYSA-N 1 2 236.275 1.040 20 30 BDEDLO N#CCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001326814225 989731034 /nfs/dbraw/zinc/73/10/34/989731034.db2.gz ZGZFKJIJWBSDPM-NSHDSACASA-N 1 2 246.314 1.398 20 30 BDEDLO C=C(CC)C(=O)NCCCn1cc[nH+]c1 ZINC001527373379 990217290 /nfs/dbraw/zinc/21/72/90/990217290.db2.gz PFXDGGAEZGFSQW-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCC#N)CC(C)C ZINC001542370742 990661858 /nfs/dbraw/zinc/66/18/58/990661858.db2.gz BLYUFJPWORXLOA-UHFFFAOYSA-N 1 2 248.330 1.659 20 30 BDEDLO C[C@@H](C#N)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001558088139 990922732 /nfs/dbraw/zinc/92/27/32/990922732.db2.gz OSVSPIXUKHGPDB-NSHDSACASA-N 1 2 246.314 1.184 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC001308505541 991012336 /nfs/dbraw/zinc/01/23/36/991012336.db2.gz IYTYWMPDYWFHFT-SNVBAGLBSA-N 1 2 232.331 1.691 20 30 BDEDLO CCOC(=O)CCC[C@H](C)[N@H+](C)[C@@H](C)C#N ZINC001258133514 991025645 /nfs/dbraw/zinc/02/56/45/991025645.db2.gz YGLZCROLERPQTM-QWRGUYRKSA-N 1 2 226.320 1.952 20 30 BDEDLO CCOC(=O)CCC[C@H](C)[N@@H+](C)[C@@H](C)C#N ZINC001258133514 991025651 /nfs/dbraw/zinc/02/56/51/991025651.db2.gz YGLZCROLERPQTM-QWRGUYRKSA-N 1 2 226.320 1.952 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001258152453 991039647 /nfs/dbraw/zinc/03/96/47/991039647.db2.gz YBHJTWISHKHRKZ-QXEWZRGKSA-N 1 2 245.388 1.872 20 30 BDEDLO Cc1cc(C#N)cc(NCc2ccc[nH+]c2N)n1 ZINC001559192656 991050029 /nfs/dbraw/zinc/05/00/29/991050029.db2.gz FLCYSUNJLCKCGT-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC001559491336 991122489 /nfs/dbraw/zinc/12/24/89/991122489.db2.gz FUDMNXMNOUWANN-GFCCVEGCSA-N 1 2 242.326 1.960 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC001559491336 991122493 /nfs/dbraw/zinc/12/24/93/991122493.db2.gz FUDMNXMNOUWANN-GFCCVEGCSA-N 1 2 242.326 1.960 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(CC(O)C3)C2)cc1F ZINC001139526137 991260780 /nfs/dbraw/zinc/26/07/80/991260780.db2.gz VMYAFAMMPGKJKF-UHFFFAOYSA-N 1 2 246.285 1.654 20 30 BDEDLO CCOC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001258500108 991467277 /nfs/dbraw/zinc/46/72/77/991467277.db2.gz XVRICLTXNUNTKT-NEPJUHHUSA-N 1 2 238.331 1.954 20 30 BDEDLO CCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H](C#N)C1 ZINC001258500108 991467283 /nfs/dbraw/zinc/46/72/83/991467283.db2.gz XVRICLTXNUNTKT-NEPJUHHUSA-N 1 2 238.331 1.954 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC(C)(C)C1 ZINC001258595255 991491407 /nfs/dbraw/zinc/49/14/07/991491407.db2.gz SFDGNCSLLOZWPU-IUCAKERBSA-N 1 2 231.361 1.626 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COC(C)C ZINC001317440778 991504472 /nfs/dbraw/zinc/50/44/72/991504472.db2.gz PJIGNDRNNBGDEK-UHFFFAOYSA-N 1 2 248.754 1.212 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COC(C)C ZINC001317440778 991504482 /nfs/dbraw/zinc/50/44/82/991504482.db2.gz PJIGNDRNNBGDEK-UHFFFAOYSA-N 1 2 248.754 1.212 20 30 BDEDLO Cc1ccc(C[NH2+]CC2(C#N)CCC2)nn1 ZINC001560617038 991519556 /nfs/dbraw/zinc/51/95/56/991519556.db2.gz YLJOWGIQIYSBCQ-UHFFFAOYSA-N 1 2 216.288 1.569 20 30 BDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC1)n1cc[nH+]c1 ZINC001318045913 991613581 /nfs/dbraw/zinc/61/35/81/991613581.db2.gz RJUWWSATRNKDAE-JTQLQIEISA-N 1 2 232.287 1.349 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1c(Cl)ccnc1F ZINC001560822905 991615224 /nfs/dbraw/zinc/61/52/24/991615224.db2.gz NZUMPSPGRASDGF-SSDOTTSWSA-N 1 2 212.655 1.985 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001258722765 991656460 /nfs/dbraw/zinc/65/64/60/991656460.db2.gz UHHMSBJBCUBHOW-MNOVXSKESA-N 1 2 243.347 1.633 20 30 BDEDLO C#CCCOC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001561962615 991735431 /nfs/dbraw/zinc/73/54/31/991735431.db2.gz PNBDWFLDTPXAEA-UHFFFAOYSA-N 1 2 235.287 1.783 20 30 BDEDLO C#CCCOC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001561962615 991735438 /nfs/dbraw/zinc/73/54/38/991735438.db2.gz PNBDWFLDTPXAEA-UHFFFAOYSA-N 1 2 235.287 1.783 20 30 BDEDLO C=CCONC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001563092498 991747290 /nfs/dbraw/zinc/74/72/90/991747290.db2.gz NRZDTKDGVIIPQG-UHFFFAOYSA-N 1 2 232.243 1.573 20 30 BDEDLO CC[C@H](Cc1ccccc1)N1CC[NH2+]C[C@H]1C#N ZINC001258845677 991880379 /nfs/dbraw/zinc/88/03/79/991880379.db2.gz DWHPIIPBWYYAHA-HUUCEWRRSA-N 1 2 243.354 1.805 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)CCCC(C)=O)C1 ZINC001567783271 992087348 /nfs/dbraw/zinc/08/73/48/992087348.db2.gz BJCHRSMYLAIDAP-UHFFFAOYSA-N 1 2 238.331 1.122 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)CCC)C1 ZINC001567788119 992089958 /nfs/dbraw/zinc/08/99/58/992089958.db2.gz GNDXNBWEPJYWJQ-LLVKDONJSA-N 1 2 224.348 1.799 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)C)C1 ZINC001568212890 992148558 /nfs/dbraw/zinc/14/85/58/992148558.db2.gz HVWXYZITGSFKFH-GFCCVEGCSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)C)C1 ZINC001568212890 992148565 /nfs/dbraw/zinc/14/85/65/992148565.db2.gz HVWXYZITGSFKFH-GFCCVEGCSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC001320282431 992157106 /nfs/dbraw/zinc/15/71/06/992157106.db2.gz VCXQNGLVGZHWEC-SNVBAGLBSA-N 1 2 237.303 1.275 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC001320282431 992157111 /nfs/dbraw/zinc/15/71/11/992157111.db2.gz VCXQNGLVGZHWEC-SNVBAGLBSA-N 1 2 237.303 1.275 20 30 BDEDLO C[C@H](C(=O)NCC1(CC#N)CC1)n1cc[nH+]c1 ZINC001321115507 992462354 /nfs/dbraw/zinc/46/23/54/992462354.db2.gz MOWZEBWFKXXOBH-SNVBAGLBSA-N 1 2 232.287 1.254 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cnc(CC)o1)[C@@H]1CCCO1 ZINC001262262117 992826160 /nfs/dbraw/zinc/82/61/60/992826160.db2.gz HMJMJKWEZVGUJW-RYUDHWBXSA-N 1 2 234.299 1.507 20 30 BDEDLO C#CC1(F)CN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC001262373308 992867137 /nfs/dbraw/zinc/86/71/37/992867137.db2.gz STWPSNZLSGARQX-UHFFFAOYSA-N 1 2 233.290 1.763 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCC1 ZINC001316601934 994102327 /nfs/dbraw/zinc/10/23/27/994102327.db2.gz SGDDDCWRZUSKAB-GFCCVEGCSA-N 1 2 234.343 1.343 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCC1 ZINC001316601934 994102333 /nfs/dbraw/zinc/10/23/33/994102333.db2.gz SGDDDCWRZUSKAB-GFCCVEGCSA-N 1 2 234.343 1.343 20 30 BDEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(=O)[nH]n1 ZINC001339191149 995256368 /nfs/dbraw/zinc/25/63/68/995256368.db2.gz AHPJUYRQEHQMCO-QMMMGPOBSA-N 1 2 220.276 1.383 20 30 BDEDLO CC(F)(F)CN1CC[NH+](CCCC#N)CC1 ZINC001308106921 995550074 /nfs/dbraw/zinc/55/00/74/995550074.db2.gz IDFDQNPHKYSHKN-UHFFFAOYSA-N 1 2 231.290 1.563 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC000298164745 136208796 /nfs/dbraw/zinc/20/87/96/136208796.db2.gz PYGCGFKRLRNLIC-CYBMUJFWSA-N 1 2 246.285 1.149 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC000298164745 136208797 /nfs/dbraw/zinc/20/87/97/136208797.db2.gz PYGCGFKRLRNLIC-CYBMUJFWSA-N 1 2 246.285 1.149 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602087936 349435080 /nfs/dbraw/zinc/43/50/80/349435080.db2.gz GNHLEKTVRQHNQL-KBVBSXBZSA-N 1 2 232.287 1.322 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602087936 349435084 /nfs/dbraw/zinc/43/50/84/349435084.db2.gz GNHLEKTVRQHNQL-KBVBSXBZSA-N 1 2 232.287 1.322 20 30 BDEDLO Cc1cnn(C[C@H]2C[N@H+](CCCC#N)CCO2)c1 ZINC000105891959 136212283 /nfs/dbraw/zinc/21/22/83/136212283.db2.gz NYUZJOWBAXRIDL-CYBMUJFWSA-N 1 2 248.330 1.196 20 30 BDEDLO Cc1cnn(C[C@H]2C[N@@H+](CCCC#N)CCO2)c1 ZINC000105891959 136212284 /nfs/dbraw/zinc/21/22/84/136212284.db2.gz NYUZJOWBAXRIDL-CYBMUJFWSA-N 1 2 248.330 1.196 20 30 BDEDLO CCc1c[nH]c(CC(=O)NCC(C)(C)CC#N)[nH+]1 ZINC000602157298 349464858 /nfs/dbraw/zinc/46/48/58/349464858.db2.gz FOTXDWPJONUXIJ-UHFFFAOYSA-N 1 2 248.330 1.571 20 30 BDEDLO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)on1 ZINC000309865261 178029692 /nfs/dbraw/zinc/02/96/92/178029692.db2.gz OGJVDYJULXHCNM-UHFFFAOYSA-N 1 2 234.284 1.601 20 30 BDEDLO Cc1nnc(NC(=O)CCc2c[nH+]cn2C)n1C ZINC000328826835 398212619 /nfs/dbraw/zinc/21/26/19/398212619.db2.gz JJXSIYSGQWVGSG-UHFFFAOYSA-N 1 2 248.290 1.078 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)NCC1CCCCC1 ZINC000076186048 398226435 /nfs/dbraw/zinc/22/64/35/398226435.db2.gz JRFKNCMOWCEOIP-UHFFFAOYSA-N 1 2 246.354 1.251 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000650078818 398232565 /nfs/dbraw/zinc/23/25/65/398232565.db2.gz XZSKNBSHCZDDAK-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO COc1ncc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(C)n1 ZINC000331324505 136226294 /nfs/dbraw/zinc/22/62/94/136226294.db2.gz FXAGEFHVGVGZLF-CMPLNLGQSA-N 1 2 246.314 1.576 20 30 BDEDLO C[C@@H](C#N)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000602425019 349532688 /nfs/dbraw/zinc/53/26/88/349532688.db2.gz ULCUNZXLHRCZGL-VIFPVBQESA-N 1 2 228.255 1.318 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](CCCC)C(=O)OC ZINC000293338910 136229643 /nfs/dbraw/zinc/22/96/43/136229643.db2.gz YOWCDZDVAQBBMT-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO CC#CC[N@H+](C)[C@H](CCCC)C(=O)OC ZINC000293338910 136229644 /nfs/dbraw/zinc/22/96/44/136229644.db2.gz YOWCDZDVAQBBMT-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO CC[C@]1(C)C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576706917 365665721 /nfs/dbraw/zinc/66/57/21/365665721.db2.gz FAKUYBAVNDWDQM-CYZMBNFOSA-N 1 2 237.347 1.383 20 30 BDEDLO Cc1ccc(N[C@H](C)Cn2cc[nH+]c2)nc1C#N ZINC000357323938 178360849 /nfs/dbraw/zinc/36/08/49/178360849.db2.gz IBIIVVMFJKMYLY-LLVKDONJSA-N 1 2 241.298 1.381 20 30 BDEDLO COCCN(CCC#N)Cc1[nH]cc(C)[nH+]1 ZINC000600118043 342674285 /nfs/dbraw/zinc/67/42/85/342674285.db2.gz PTMTWPGFRZFZGL-UHFFFAOYSA-N 1 2 222.292 1.080 20 30 BDEDLO CCN(Cc1[nH]cc(C)[nH+]1)C[C@@H](C)C#N ZINC000600111312 342670275 /nfs/dbraw/zinc/67/02/75/342670275.db2.gz BAIUKOWPMRDODW-VIFPVBQESA-N 1 2 206.293 1.700 20 30 BDEDLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000600176073 342696556 /nfs/dbraw/zinc/69/65/56/342696556.db2.gz CPUBDVWOCNPBMT-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1c[nH]c(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000600176073 342696557 /nfs/dbraw/zinc/69/65/57/342696557.db2.gz CPUBDVWOCNPBMT-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCOC(C)(C)C1 ZINC000309587231 342716317 /nfs/dbraw/zinc/71/63/17/342716317.db2.gz SIBWGQRRXPPINQ-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCOC(C)(C)C1 ZINC000309587231 342716318 /nfs/dbraw/zinc/71/63/18/342716318.db2.gz SIBWGQRRXPPINQ-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000380139041 538985862 /nfs/dbraw/zinc/98/58/62/538985862.db2.gz VCUAAJQIZFYPMY-VHSXEESVSA-N 1 2 206.293 1.268 20 30 BDEDLO N#CC1(C[NH2+]Cc2cocn2)CCCC1 ZINC000405115355 398294376 /nfs/dbraw/zinc/29/43/76/398294376.db2.gz WHNCFBHPCDWYKP-UHFFFAOYSA-N 1 2 205.261 1.848 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(C2CC2)no1 ZINC000602608269 349631932 /nfs/dbraw/zinc/63/19/32/349631932.db2.gz SPVKFHZGJMEZCJ-QMMMGPOBSA-N 1 2 205.261 1.801 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000042327793 398323676 /nfs/dbraw/zinc/32/36/76/398323676.db2.gz DEKBDJCBYLNZPP-NSHDSACASA-N 1 2 248.301 1.395 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000042327793 398323677 /nfs/dbraw/zinc/32/36/77/398323677.db2.gz DEKBDJCBYLNZPP-NSHDSACASA-N 1 2 248.301 1.395 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000602643237 349655167 /nfs/dbraw/zinc/65/51/67/349655167.db2.gz OXCOJNWTNSTAAF-UHFFFAOYSA-N 1 2 217.272 1.945 20 30 BDEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CC(CC#N)C1 ZINC000602708268 349702039 /nfs/dbraw/zinc/70/20/39/349702039.db2.gz NLWQDZCMCNOPME-LBPRGKRZSA-N 1 2 230.315 1.717 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc(F)c2N)C1 ZINC000602709338 349702607 /nfs/dbraw/zinc/70/26/07/349702607.db2.gz QVQYSEXDMRBHPP-UHFFFAOYSA-N 1 2 219.263 1.753 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)CC ZINC000492489817 529556262 /nfs/dbraw/zinc/55/62/62/529556262.db2.gz GZOUMPPXBCRIPD-YBJDMEARSA-N 1 2 246.314 1.725 20 30 BDEDLO COCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367130640 136257790 /nfs/dbraw/zinc/25/77/90/136257790.db2.gz ZWPUPFGETQIILO-AWEZNQCLSA-N 1 2 246.310 1.578 20 30 BDEDLO COCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367130640 136257791 /nfs/dbraw/zinc/25/77/91/136257791.db2.gz ZWPUPFGETQIILO-AWEZNQCLSA-N 1 2 246.310 1.578 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C1CC(OCC)C1)C(=O)OC ZINC000602734524 349719674 /nfs/dbraw/zinc/71/96/74/349719674.db2.gz PILIFMBKWGMEDB-HTAVTVPLSA-N 1 2 241.331 1.651 20 30 BDEDLO C=C(C)C[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000602734628 349719776 /nfs/dbraw/zinc/71/97/76/349719776.db2.gz QCNVZUNVLJRBMS-LLVKDONJSA-N 1 2 237.303 1.018 20 30 BDEDLO N#CCC1(C[NH+]2CCN(CC(F)F)CC2)CC1 ZINC000602765227 349721867 /nfs/dbraw/zinc/72/18/67/349721867.db2.gz IETLBMOVEIIAQD-UHFFFAOYSA-N 1 2 243.301 1.563 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000602737964 349722029 /nfs/dbraw/zinc/72/20/29/349722029.db2.gz DVAWFEFXUGOJHX-AXFHLTTASA-N 1 2 229.320 1.507 20 30 BDEDLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000602817215 349759118 /nfs/dbraw/zinc/75/91/18/349759118.db2.gz UDVMTFYMUOCGSN-GARJFASQSA-N 1 2 212.268 1.349 20 30 BDEDLO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000602817215 349759121 /nfs/dbraw/zinc/75/91/21/349759121.db2.gz UDVMTFYMUOCGSN-GARJFASQSA-N 1 2 212.268 1.349 20 30 BDEDLO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602860722 349772376 /nfs/dbraw/zinc/77/23/76/349772376.db2.gz FNGAKQILCDDEPP-WDEREUQCSA-N 1 2 225.336 1.573 20 30 BDEDLO CCC(C)(C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602861601 349772387 /nfs/dbraw/zinc/77/23/87/349772387.db2.gz GKEUJFMJMYMLQP-SECBINFHSA-N 1 2 211.309 1.183 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000602861203 349772490 /nfs/dbraw/zinc/77/24/90/349772490.db2.gz FQTJSOVJJPOTMK-GHMZBOCLSA-N 1 2 223.320 1.137 20 30 BDEDLO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602860970 349772500 /nfs/dbraw/zinc/77/25/00/349772500.db2.gz FOFAGJBRSQYNPP-UWVGGRQHSA-N 1 2 225.336 1.571 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000602861028 349772520 /nfs/dbraw/zinc/77/25/20/349772520.db2.gz FDFZDFUNJBIKFD-RYUDHWBXSA-N 1 2 237.347 1.525 20 30 BDEDLO CCc1noc(C)c1C[NH2+][C@@H](C)CC#N ZINC000602862120 349773525 /nfs/dbraw/zinc/77/35/25/349773525.db2.gz LDSXVJXLAYVHEZ-QMMMGPOBSA-N 1 2 207.277 1.937 20 30 BDEDLO C[C@H](C#N)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000331937385 136263281 /nfs/dbraw/zinc/26/32/81/136263281.db2.gz JBBLAKORNAHQRJ-YPMHNXCESA-N 1 2 243.310 1.289 20 30 BDEDLO C[C@H](C#N)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000331937385 136263282 /nfs/dbraw/zinc/26/32/82/136263282.db2.gz JBBLAKORNAHQRJ-YPMHNXCESA-N 1 2 243.310 1.289 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000602862856 349774632 /nfs/dbraw/zinc/77/46/32/349774632.db2.gz KHJKVOZCYYFDIX-UTUOFQBUSA-N 1 2 237.347 1.573 20 30 BDEDLO COCC1(C#N)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000343144542 536801078 /nfs/dbraw/zinc/80/10/78/536801078.db2.gz AIEFQXHFENDJCH-UHFFFAOYSA-N 1 2 246.314 1.542 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)CCn1cc[nH+]c1 ZINC000608823111 343068352 /nfs/dbraw/zinc/06/83/52/343068352.db2.gz BZKHOZLRVBNPFD-LLVKDONJSA-N 1 2 234.303 1.328 20 30 BDEDLO CN(CCC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177183448 346923587 /nfs/dbraw/zinc/92/35/87/346923587.db2.gz BPDFOFOXAOMTDS-UHFFFAOYSA-N 1 2 241.298 1.613 20 30 BDEDLO C=CCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640935677 362074222 /nfs/dbraw/zinc/07/42/22/362074222.db2.gz IAKBKFKOHNLMHW-UHFFFAOYSA-N 1 2 217.276 1.489 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCC(C)(C)C ZINC000602865471 349797905 /nfs/dbraw/zinc/79/79/05/349797905.db2.gz YHPUMSDZNGZWLF-JTQLQIEISA-N 1 2 225.336 1.431 20 30 BDEDLO COc1coc(C[NH2+][C@@H](C)CC#N)cc1=O ZINC000602865487 349797706 /nfs/dbraw/zinc/79/77/06/349797706.db2.gz YJFVQKMYZQAUKU-QMMMGPOBSA-N 1 2 222.244 1.040 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000602868678 349799978 /nfs/dbraw/zinc/79/99/78/349799978.db2.gz KIZUQTQKQQDNCO-JTQLQIEISA-N 1 2 249.289 1.334 20 30 BDEDLO C=CC[NH+](CC=C)[C@@H](C)c1nccc(N)n1 ZINC000576954175 365730991 /nfs/dbraw/zinc/73/09/91/365730991.db2.gz IOXVWAWYORWGKE-JTQLQIEISA-N 1 2 218.304 1.624 20 30 BDEDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC#N)cn1 ZINC000602869995 349801045 /nfs/dbraw/zinc/80/10/45/349801045.db2.gz JSIIMIWWWCHZQX-WPRPVWTQSA-N 1 2 204.277 1.738 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000295252623 136290408 /nfs/dbraw/zinc/29/04/08/136290408.db2.gz GBVBDDUVHLFWLL-SECBINFHSA-N 1 2 242.273 1.882 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(CC(F)F)c1 ZINC000295252623 136290409 /nfs/dbraw/zinc/29/04/09/136290409.db2.gz GBVBDDUVHLFWLL-SECBINFHSA-N 1 2 242.273 1.882 20 30 BDEDLO CC#CC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120460524 136292481 /nfs/dbraw/zinc/29/24/81/136292481.db2.gz VRHKEASPBZXRGH-AWEZNQCLSA-N 1 2 243.354 1.784 20 30 BDEDLO Cc1cccn2cc(CN(C)CC#N)[nH+]c12 ZINC000609144978 343320987 /nfs/dbraw/zinc/32/09/87/343320987.db2.gz NUGSJWNMYSKRKB-UHFFFAOYSA-N 1 2 214.272 1.598 20 30 BDEDLO C=CCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428010356 259357522 /nfs/dbraw/zinc/35/75/22/259357522.db2.gz LLEQRKGQPKJKGS-LLVKDONJSA-N 1 2 233.315 1.670 20 30 BDEDLO COC[C@@H](C)O[NH+]=C(N)COc1ccccc1 ZINC000177669273 346935328 /nfs/dbraw/zinc/93/53/28/346935328.db2.gz JKZJMMUGGSLDNO-SNVBAGLBSA-N 1 2 238.287 1.389 20 30 BDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@@H]2C)nn1 ZINC000641079480 362192510 /nfs/dbraw/zinc/19/25/10/362192510.db2.gz FDYJKRNVUCQTJD-QWRGUYRKSA-N 1 2 218.304 1.047 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000602916468 349808784 /nfs/dbraw/zinc/80/87/84/349808784.db2.gz QGEUALXDMGVEGQ-CYBMUJFWSA-N 1 2 239.315 1.054 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000602916468 349808788 /nfs/dbraw/zinc/80/87/88/349808788.db2.gz QGEUALXDMGVEGQ-CYBMUJFWSA-N 1 2 239.315 1.054 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000165481170 343436871 /nfs/dbraw/zinc/43/68/71/343436871.db2.gz UVQYEGDQKVCFQI-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000165481170 343436873 /nfs/dbraw/zinc/43/68/73/343436873.db2.gz UVQYEGDQKVCFQI-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329305491 136365002 /nfs/dbraw/zinc/36/50/02/136365002.db2.gz XOVLXKNOHZYQOW-OUAUKWLOSA-N 1 2 249.314 1.579 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000351606383 136370074 /nfs/dbraw/zinc/37/00/74/136370074.db2.gz CJSOUFUXTDGXFH-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000351606383 136370075 /nfs/dbraw/zinc/37/00/75/136370075.db2.gz CJSOUFUXTDGXFH-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902218 349816877 /nfs/dbraw/zinc/81/68/77/349816877.db2.gz HKYVCVPEZGYQIR-OCCSQVGLSA-N 1 2 247.342 1.375 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902218 349816878 /nfs/dbraw/zinc/81/68/78/349816878.db2.gz HKYVCVPEZGYQIR-OCCSQVGLSA-N 1 2 247.342 1.375 20 30 BDEDLO N#Cc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070991214 343582246 /nfs/dbraw/zinc/58/22/46/343582246.db2.gz TXAIESFBGIPZOT-UHFFFAOYSA-N 1 2 240.266 1.140 20 30 BDEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)C(C)C ZINC000083853769 343679231 /nfs/dbraw/zinc/67/92/31/343679231.db2.gz BYCXOYDZWYVOPO-SNVBAGLBSA-N 1 2 224.304 1.467 20 30 BDEDLO COCC[N@@H+](CCC#N)CCSC(C)C ZINC000379943838 343658285 /nfs/dbraw/zinc/65/82/85/343658285.db2.gz IIWKEGWAKBLDPV-UHFFFAOYSA-N 1 2 230.377 1.990 20 30 BDEDLO COCC[N@H+](CCC#N)CCSC(C)C ZINC000379943838 343658287 /nfs/dbraw/zinc/65/82/87/343658287.db2.gz IIWKEGWAKBLDPV-UHFFFAOYSA-N 1 2 230.377 1.990 20 30 BDEDLO Cc1nccnc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981344 349830691 /nfs/dbraw/zinc/83/06/91/349830691.db2.gz BREKEHFBPKHZAE-WCQYABFASA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1nccnc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981344 349830693 /nfs/dbraw/zinc/83/06/93/349830693.db2.gz BREKEHFBPKHZAE-WCQYABFASA-N 1 2 230.315 1.909 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068304923 362249991 /nfs/dbraw/zinc/24/99/91/362249991.db2.gz CNBWBRBJHVVHKS-SNVBAGLBSA-N 1 2 242.282 1.566 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153604819 537803364 /nfs/dbraw/zinc/80/33/64/537803364.db2.gz YUMUVIGHNKDVLT-ZJUUUORDSA-N 1 2 219.288 1.136 20 30 BDEDLO C[N@H+](CC(=O)N1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976252 349841353 /nfs/dbraw/zinc/84/13/53/349841353.db2.gz NFIKPDQBOZSLTN-CHWSQXEVSA-N 1 2 249.358 1.623 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976252 349841355 /nfs/dbraw/zinc/84/13/55/349841355.db2.gz NFIKPDQBOZSLTN-CHWSQXEVSA-N 1 2 249.358 1.623 20 30 BDEDLO CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977167 349842085 /nfs/dbraw/zinc/84/20/85/349842085.db2.gz YSPVWJZOZUUZLS-ZYHUDNBSSA-N 1 2 235.331 1.231 20 30 BDEDLO CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977167 349842088 /nfs/dbraw/zinc/84/20/88/349842088.db2.gz YSPVWJZOZUUZLS-ZYHUDNBSSA-N 1 2 235.331 1.231 20 30 BDEDLO Cc1nccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602979299 349844473 /nfs/dbraw/zinc/84/44/73/349844473.db2.gz BUCQZNSNMIHNHM-WCQYABFASA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1nccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602979299 349844474 /nfs/dbraw/zinc/84/44/74/349844474.db2.gz BUCQZNSNMIHNHM-WCQYABFASA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602980783 349846040 /nfs/dbraw/zinc/84/60/40/349846040.db2.gz VNKDAWNDCJEOHS-STQMWFEESA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1ncc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602980783 349846042 /nfs/dbraw/zinc/84/60/42/349846042.db2.gz VNKDAWNDCJEOHS-STQMWFEESA-N 1 2 230.315 1.909 20 30 BDEDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602980670 349846202 /nfs/dbraw/zinc/84/62/02/349846202.db2.gz SYBBBGNDGYCJQG-CIUDSAMLSA-N 1 2 236.237 1.534 20 30 BDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602980670 349846206 /nfs/dbraw/zinc/84/62/06/349846206.db2.gz SYBBBGNDGYCJQG-CIUDSAMLSA-N 1 2 236.237 1.534 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H]1CC)C(=O)OC ZINC000309139540 346970630 /nfs/dbraw/zinc/97/06/30/346970630.db2.gz GVXAVBOGXYGTGE-OUAUKWLOSA-N 1 2 211.305 1.882 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cscc1C#N ZINC000334396549 343878654 /nfs/dbraw/zinc/87/86/54/343878654.db2.gz CCVBGBAATKIAHB-UHFFFAOYSA-N 1 2 246.295 1.615 20 30 BDEDLO CCO[C@H]1C[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000393634059 343903248 /nfs/dbraw/zinc/90/32/48/343903248.db2.gz RWGYSAKVKZGOIK-BDAKNGLRSA-N 1 2 223.301 1.282 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000625698402 344042945 /nfs/dbraw/zinc/04/29/45/344042945.db2.gz BBZCMNLFDWRCSU-PWSUYJOCSA-N 1 2 247.342 1.835 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)N1CCCCC1 ZINC000570675962 323066807 /nfs/dbraw/zinc/06/68/07/323066807.db2.gz WMFNEBIEALNSAW-GFCCVEGCSA-N 1 2 248.330 1.032 20 30 BDEDLO CCN1C(=O)N=NC1C1CC[NH+](CCC#N)CC1 ZINC000363472666 344134094 /nfs/dbraw/zinc/13/40/94/344134094.db2.gz SLAFDZGAAFHGAV-UHFFFAOYSA-N 1 2 249.318 1.097 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000600615386 344337321 /nfs/dbraw/zinc/33/73/21/344337321.db2.gz OEEVYSUOECHKGB-KOLCDFICSA-N 1 2 221.304 1.032 20 30 BDEDLO Cc1[nH+]ccc(N2CCO[C@H](C#N)C2)c1Cl ZINC000309390791 347045284 /nfs/dbraw/zinc/04/52/84/347045284.db2.gz SFDFPHNUUZWHLA-SECBINFHSA-N 1 2 237.690 1.772 20 30 BDEDLO C[C@@H]1C[NH+](Cc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000068765393 344492778 /nfs/dbraw/zinc/49/27/78/344492778.db2.gz FRQSTBFLOCCRTJ-GHMZBOCLSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068765745 344493669 /nfs/dbraw/zinc/49/36/69/344493669.db2.gz FNRQGXPHEIFKIU-SNVBAGLBSA-N 1 2 217.272 1.174 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000068765745 344493671 /nfs/dbraw/zinc/49/36/71/344493671.db2.gz FNRQGXPHEIFKIU-SNVBAGLBSA-N 1 2 217.272 1.174 20 30 BDEDLO C=C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)OC ZINC000381705715 344537875 /nfs/dbraw/zinc/53/78/75/344537875.db2.gz JFJBGOFUIRUKTR-DCAQKATOSA-N 1 2 227.304 1.119 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)COc1ccccc1 ZINC000181547816 347063386 /nfs/dbraw/zinc/06/33/86/347063386.db2.gz GKAWTYNDULWXTD-SNVBAGLBSA-N 1 2 238.287 1.389 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H]1CC[C@H](C)O1 ZINC000300071179 344726843 /nfs/dbraw/zinc/72/68/43/344726843.db2.gz UUJFBPNZQFBYPL-NWDGAFQWSA-N 1 2 226.320 1.416 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H]1CC[C@H](C)O1 ZINC000300071179 344726847 /nfs/dbraw/zinc/72/68/47/344726847.db2.gz UUJFBPNZQFBYPL-NWDGAFQWSA-N 1 2 226.320 1.416 20 30 BDEDLO CC[N@@H+](Cc1ccc(OC)nn1)C[C@H](C)C#N ZINC000310305618 344729567 /nfs/dbraw/zinc/72/95/67/344729567.db2.gz QTNPBLHGZDRLSR-SNVBAGLBSA-N 1 2 234.303 1.467 20 30 BDEDLO CC[N@H+](Cc1ccc(OC)nn1)C[C@H](C)C#N ZINC000310305618 344729568 /nfs/dbraw/zinc/72/95/68/344729568.db2.gz QTNPBLHGZDRLSR-SNVBAGLBSA-N 1 2 234.303 1.467 20 30 BDEDLO C[C@@H](Nc1cnc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000135602488 344781774 /nfs/dbraw/zinc/78/17/74/344781774.db2.gz UXQDPQQBYCUYEI-SSDOTTSWSA-N 1 2 214.232 1.244 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)NC1CCCCCC1 ZINC000076185696 344799938 /nfs/dbraw/zinc/79/99/38/344799938.db2.gz ZTVCCIGQMGWVKM-UHFFFAOYSA-N 1 2 246.354 1.394 20 30 BDEDLO N#CCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832045 344792925 /nfs/dbraw/zinc/79/29/25/344792925.db2.gz CRUMPCMRVSASTM-UHFFFAOYSA-N 1 2 208.305 1.935 20 30 BDEDLO N#CCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832045 344792926 /nfs/dbraw/zinc/79/29/26/344792926.db2.gz CRUMPCMRVSASTM-UHFFFAOYSA-N 1 2 208.305 1.935 20 30 BDEDLO CC(C)C(=O)NC1CC[NH+](CCC#N)CC1 ZINC000076493196 344803363 /nfs/dbraw/zinc/80/33/63/344803363.db2.gz BUJFXVGBGLKLSZ-UHFFFAOYSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)(C#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000298993342 534973064 /nfs/dbraw/zinc/97/30/64/534973064.db2.gz VFFACFKHZIUKEA-UHFFFAOYSA-N 1 2 242.282 1.500 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583450795 344998486 /nfs/dbraw/zinc/99/84/86/344998486.db2.gz ANZNAQIVHXZVSF-GMTAPVOTSA-N 1 2 249.314 1.568 20 30 BDEDLO CC[C@H](C)[C@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000425221686 192084512 /nfs/dbraw/zinc/08/45/12/192084512.db2.gz FNUGRSWHYQTLHH-IINYFYTJSA-N 1 2 247.342 1.893 20 30 BDEDLO Cc1cc(NCCCCC#N)c(C#N)c[nH+]1 ZINC000425233313 192084809 /nfs/dbraw/zinc/08/48/09/192084809.db2.gz WWTNIPVXVFVSSQ-UHFFFAOYSA-N 1 2 214.272 1.789 20 30 BDEDLO Cc1cc(C(N)=[NH+]OCCCO)ccc1F ZINC000127391525 345177873 /nfs/dbraw/zinc/17/78/73/345177873.db2.gz DSHJCSWXWMYIOR-UHFFFAOYSA-N 1 2 226.251 1.153 20 30 BDEDLO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)c(C#N)c[nH+]1 ZINC000425256469 192086242 /nfs/dbraw/zinc/08/62/42/192086242.db2.gz BNBUZGHJPKLCNC-WOPDTQHZSA-N 1 2 245.326 1.909 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635261857 345290887 /nfs/dbraw/zinc/29/08/87/345290887.db2.gz MAIXPLGOFFQPQS-GHMZBOCLSA-N 1 2 233.315 1.938 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635261857 345290888 /nfs/dbraw/zinc/29/08/88/345290888.db2.gz MAIXPLGOFFQPQS-GHMZBOCLSA-N 1 2 233.315 1.938 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000273914394 133546403 /nfs/dbraw/zinc/54/64/03/133546403.db2.gz YFWMBYILVZHBNS-QMMMGPOBSA-N 1 2 206.249 1.140 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000136210509 345487888 /nfs/dbraw/zinc/48/78/88/345487888.db2.gz PTUUFHYURJLCQW-ZYHUDNBSSA-N 1 2 234.303 1.328 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335553906 534998238 /nfs/dbraw/zinc/99/82/38/534998238.db2.gz RJKFPRSKYXJBJA-SNVBAGLBSA-N 1 2 246.314 1.111 20 30 BDEDLO C=CCCCN(C)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635582626 345879680 /nfs/dbraw/zinc/87/96/80/345879680.db2.gz AOEIYQOEYRKYEQ-UHFFFAOYSA-N 1 2 235.331 1.939 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635673399 345971228 /nfs/dbraw/zinc/97/12/28/345971228.db2.gz HDZIFJMPYQCMBO-DJLDLDEBSA-N 1 2 205.261 1.204 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635673399 345971232 /nfs/dbraw/zinc/97/12/32/345971232.db2.gz HDZIFJMPYQCMBO-DJLDLDEBSA-N 1 2 205.261 1.204 20 30 BDEDLO C=C(C)COCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635690536 345977240 /nfs/dbraw/zinc/97/72/40/345977240.db2.gz UHXMPMJBUZRCPM-GHMZBOCLSA-N 1 2 249.314 1.222 20 30 BDEDLO C=C(C)COCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635690536 345977244 /nfs/dbraw/zinc/97/72/44/345977244.db2.gz UHXMPMJBUZRCPM-GHMZBOCLSA-N 1 2 249.314 1.222 20 30 BDEDLO CC#CC[N@@H+]([C@@H](CC)C(=O)OCC)C1CC1 ZINC000190629973 345978860 /nfs/dbraw/zinc/97/88/60/345978860.db2.gz CJVARMDAOWYFMD-LBPRGKRZSA-N 1 2 223.316 1.816 20 30 BDEDLO CC#CC[N@H+]([C@@H](CC)C(=O)OCC)C1CC1 ZINC000190629973 345978864 /nfs/dbraw/zinc/97/88/64/345978864.db2.gz CJVARMDAOWYFMD-LBPRGKRZSA-N 1 2 223.316 1.816 20 30 BDEDLO C[C@@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000563220784 323104531 /nfs/dbraw/zinc/10/45/31/323104531.db2.gz VEDNRGTVCGLSKV-MDZLAQPJSA-N 1 2 237.347 1.383 20 30 BDEDLO N#CC1(C[NH2+][C@H](CO)c2ccsc2)CC1 ZINC000331857550 346031296 /nfs/dbraw/zinc/03/12/96/346031296.db2.gz IDVKZOHJHWHYSM-SNVBAGLBSA-N 1 2 222.313 1.675 20 30 BDEDLO N#CC1(CNc2[nH+]cnc3[nH]ccc32)CCC1 ZINC000419026923 192095612 /nfs/dbraw/zinc/09/56/12/192095612.db2.gz UZEYJAIIDYVPJY-UHFFFAOYSA-N 1 2 227.271 1.486 20 30 BDEDLO C[C@@H](CC#N)NCc1[nH+]ccn1CC(F)(F)F ZINC000609449304 346076820 /nfs/dbraw/zinc/07/68/20/346076820.db2.gz YCYXRYALZJKXDK-QMMMGPOBSA-N 1 2 246.236 1.837 20 30 BDEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCC#N ZINC000586777656 346102671 /nfs/dbraw/zinc/10/26/71/346102671.db2.gz UOWCIWZUFKQYKB-DTWKUNHWSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCC#N ZINC000586777656 346102673 /nfs/dbraw/zinc/10/26/73/346102673.db2.gz UOWCIWZUFKQYKB-DTWKUNHWSA-N 1 2 236.237 1.942 20 30 BDEDLO CCCCNc1cc(C)[nH+]c(NC[C@H](C)C#N)n1 ZINC000601125439 346151578 /nfs/dbraw/zinc/15/15/78/346151578.db2.gz QUUDYLVCXUBTKN-SNVBAGLBSA-N 1 2 247.346 1.412 20 30 BDEDLO C=CCCOCCNc1cc[nH+]c(C)n1 ZINC000161513555 346269736 /nfs/dbraw/zinc/26/97/36/346269736.db2.gz AZTUUQBTFHCEHN-UHFFFAOYSA-N 1 2 207.277 1.790 20 30 BDEDLO N#CC1(C(=O)NCc2[nH]cc[nH+]2)CC2(CC2)C1 ZINC000601152813 346458160 /nfs/dbraw/zinc/45/81/60/346458160.db2.gz GHEGRXMJOUJQRE-UHFFFAOYSA-N 1 2 230.271 1.110 20 30 BDEDLO CCC[C@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563539806 323130112 /nfs/dbraw/zinc/13/01/12/323130112.db2.gz XFUODAZLOPYIMD-WDEREUQCSA-N 1 2 234.303 1.643 20 30 BDEDLO Cc1nc(C)c(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000589257500 346680025 /nfs/dbraw/zinc/68/00/25/346680025.db2.gz DEEKJXRRHSRFRS-UHFFFAOYSA-N 1 2 248.330 1.323 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000589309637 346688994 /nfs/dbraw/zinc/68/89/94/346688994.db2.gz YKFACFNUHNHZJB-VXGBXAGGSA-N 1 2 249.314 1.166 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000589309637 346688996 /nfs/dbraw/zinc/68/89/96/346688996.db2.gz YKFACFNUHNHZJB-VXGBXAGGSA-N 1 2 249.314 1.166 20 30 BDEDLO COc1cc[nH+]cc1CNc1ccncc1C#N ZINC000590061083 346769858 /nfs/dbraw/zinc/76/98/58/346769858.db2.gz FSGWWWOSDKGBJS-UHFFFAOYSA-N 1 2 240.266 1.391 20 30 BDEDLO N#CC1(CC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000590126117 346778021 /nfs/dbraw/zinc/77/80/21/346778021.db2.gz JMJWVOJCWCUVJI-UHFFFAOYSA-N 1 2 232.287 1.083 20 30 BDEDLO CC#CCCCC(=O)NCCn1cc[nH+]c1 ZINC000185004243 347188700 /nfs/dbraw/zinc/18/87/00/347188700.db2.gz KJMZBNRUSBKMOU-UHFFFAOYSA-N 1 2 219.288 1.193 20 30 BDEDLO CC[C@H](Nc1ccnc(C#N)n1)c1[nH]cc[nH+]1 ZINC000310128567 347235391 /nfs/dbraw/zinc/23/53/91/347235391.db2.gz GXWFPIZFKIFPMN-QMMMGPOBSA-N 1 2 228.259 1.635 20 30 BDEDLO CC#CC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000119644252 347298908 /nfs/dbraw/zinc/29/89/08/347298908.db2.gz RFCUMMDTIIIWGH-UHFFFAOYSA-N 1 2 209.289 1.475 20 30 BDEDLO C#CCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000364137124 347277947 /nfs/dbraw/zinc/27/79/47/347277947.db2.gz TZMBLWSOMAMNIQ-NSHDSACASA-N 1 2 232.331 1.801 20 30 BDEDLO C#CCC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000364137124 347277949 /nfs/dbraw/zinc/27/79/49/347277949.db2.gz TZMBLWSOMAMNIQ-NSHDSACASA-N 1 2 232.331 1.801 20 30 BDEDLO COc1ccc(C[NH2+]CCC#N)cc1O ZINC000020199396 347412787 /nfs/dbraw/zinc/41/27/87/347412787.db2.gz QBLIYTUTSCPICT-UHFFFAOYSA-N 1 2 206.245 1.404 20 30 BDEDLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000192559300 347376786 /nfs/dbraw/zinc/37/67/86/347376786.db2.gz RHLOTHCQKSNCQD-JTQLQIEISA-N 1 2 246.314 1.787 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000192789899 347383677 /nfs/dbraw/zinc/38/36/77/347383677.db2.gz RJEHBKNHEOTRRV-UHFFFAOYSA-N 1 2 210.281 1.144 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(N(C)C)no1 ZINC000192789899 347383682 /nfs/dbraw/zinc/38/36/82/347383682.db2.gz RJEHBKNHEOTRRV-UHFFFAOYSA-N 1 2 210.281 1.144 20 30 BDEDLO N#Cc1cc(C[N@H+]2CC[C@H](F)C2)ccn1 ZINC000590755593 347505259 /nfs/dbraw/zinc/50/52/59/347505259.db2.gz BRNOMQZGWWJBIP-JTQLQIEISA-N 1 2 205.236 1.497 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](F)C2)ccn1 ZINC000590755593 347505261 /nfs/dbraw/zinc/50/52/61/347505261.db2.gz BRNOMQZGWWJBIP-JTQLQIEISA-N 1 2 205.236 1.497 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)C(=O)OC ZINC000591375063 347649661 /nfs/dbraw/zinc/64/96/61/347649661.db2.gz JSGSHSTWCJLAPB-DCAQKATOSA-N 1 2 211.305 1.596 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C(=O)OC ZINC000591376459 347650522 /nfs/dbraw/zinc/65/05/22/347650522.db2.gz JOFNRONSFAYICE-QWRGUYRKSA-N 1 2 241.331 1.509 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)C(=O)OC ZINC000591377384 347651276 /nfs/dbraw/zinc/65/12/76/347651276.db2.gz LEXDBBXHOZKDIO-NAKRPEOUSA-N 1 2 227.304 1.117 20 30 BDEDLO CN1Cc2ccccc2[C@H]([NH2+]CCC#N)C1 ZINC000591757318 347691555 /nfs/dbraw/zinc/69/15/55/347691555.db2.gz NFBYMXVBTWRHNA-CYBMUJFWSA-N 1 2 215.300 1.676 20 30 BDEDLO Cc1cc(CNc2cc(C)[nH+]cc2C#N)[nH]n1 ZINC000591820404 347700491 /nfs/dbraw/zinc/70/04/91/347700491.db2.gz UXLVDIKJEJTBDQ-UHFFFAOYSA-N 1 2 227.271 1.327 20 30 BDEDLO CC[C@@]1(O)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591823315 347701087 /nfs/dbraw/zinc/70/10/87/347701087.db2.gz JQUJIFQARRBEEM-CYBMUJFWSA-N 1 2 231.299 1.613 20 30 BDEDLO CC[C@]1(O)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591823316 347701425 /nfs/dbraw/zinc/70/14/25/347701425.db2.gz JQUJIFQARRBEEM-ZDUSSCGKSA-N 1 2 231.299 1.613 20 30 BDEDLO Cc1cc(N2CC([C@H]3CCOC3)C2)c(C#N)c[nH+]1 ZINC000591824707 347702123 /nfs/dbraw/zinc/70/21/23/347702123.db2.gz BOCBPEHUIYCIOY-NSHDSACASA-N 1 2 243.310 1.734 20 30 BDEDLO N#Cc1cnccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000592125397 347738537 /nfs/dbraw/zinc/73/85/37/347738537.db2.gz WFPZGBCAHMBTQO-RYUDHWBXSA-N 1 2 231.324 1.643 20 30 BDEDLO N#Cc1cnccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000592125397 347738538 /nfs/dbraw/zinc/73/85/38/347738538.db2.gz WFPZGBCAHMBTQO-RYUDHWBXSA-N 1 2 231.324 1.643 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cncnc1OC ZINC000592506201 347797561 /nfs/dbraw/zinc/79/75/61/347797561.db2.gz ISGWWGSPMSUDQD-SNVBAGLBSA-N 1 2 220.276 1.267 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC12CCC2 ZINC000593154224 347865900 /nfs/dbraw/zinc/86/59/00/347865900.db2.gz ASGVCNNHBVFBQK-ZYHUDNBSSA-N 1 2 235.331 1.137 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC12CCC2 ZINC000593154221 347866189 /nfs/dbraw/zinc/86/61/89/347866189.db2.gz ASGVCNNHBVFBQK-CMPLNLGQSA-N 1 2 235.331 1.137 20 30 BDEDLO Cc1coc(C)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153130 347866208 /nfs/dbraw/zinc/86/62/08/347866208.db2.gz KAFRVAWCOQWFKH-CYBMUJFWSA-N 1 2 249.314 1.470 20 30 BDEDLO CCC#C[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC000679833999 488367409 /nfs/dbraw/zinc/36/74/09/488367409.db2.gz QMHMYMHXZDOMGA-LLVKDONJSA-N 1 2 220.320 1.439 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1 ZINC000679833999 488367411 /nfs/dbraw/zinc/36/74/11/488367411.db2.gz QMHMYMHXZDOMGA-LLVKDONJSA-N 1 2 220.320 1.439 20 30 BDEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](COC)C(=O)OC)C1 ZINC000593625955 347917464 /nfs/dbraw/zinc/91/74/64/347917464.db2.gz QXIQHIOTVFLRFK-WOPDTQHZSA-N 1 2 241.331 1.509 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594025904 347992028 /nfs/dbraw/zinc/99/20/28/347992028.db2.gz AUHAZEDFAHTVTI-LBPRGKRZSA-N 1 2 208.305 1.934 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594025904 347992029 /nfs/dbraw/zinc/99/20/29/347992029.db2.gz AUHAZEDFAHTVTI-LBPRGKRZSA-N 1 2 208.305 1.934 20 30 BDEDLO Cn1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cn1 ZINC000594028694 347992083 /nfs/dbraw/zinc/99/20/83/347992083.db2.gz UYDOJGOYGCGJPB-UHFFFAOYSA-N 1 2 238.294 1.808 20 30 BDEDLO Cn1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cn1 ZINC000594028694 347992084 /nfs/dbraw/zinc/99/20/84/347992084.db2.gz UYDOJGOYGCGJPB-UHFFFAOYSA-N 1 2 238.294 1.808 20 30 BDEDLO CCCN(CC#N)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594244623 348022214 /nfs/dbraw/zinc/02/22/14/348022214.db2.gz LTRRFYCSDWOAAX-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594285021 348030000 /nfs/dbraw/zinc/03/00/00/348030000.db2.gz GMAQZADLLMCQSG-MNOVXSKESA-N 1 2 248.330 1.643 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594285021 348030001 /nfs/dbraw/zinc/03/00/01/348030001.db2.gz GMAQZADLLMCQSG-MNOVXSKESA-N 1 2 248.330 1.643 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594253239 348026306 /nfs/dbraw/zinc/02/63/06/348026306.db2.gz OXHLXWIPYUYRQX-VHSXEESVSA-N 1 2 234.303 1.206 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594253239 348026310 /nfs/dbraw/zinc/02/63/10/348026310.db2.gz OXHLXWIPYUYRQX-VHSXEESVSA-N 1 2 234.303 1.206 20 30 BDEDLO Cn1cc[nH+]c1-c1cccc(C[C@@H](C#N)CO)c1 ZINC000594629471 348084969 /nfs/dbraw/zinc/08/49/69/348084969.db2.gz OZGDENQICFOERT-LBPRGKRZSA-N 1 2 241.294 1.762 20 30 BDEDLO Cn1ccc(C[NH2+]CC2(C#N)CCCCC2)n1 ZINC000594982113 348165035 /nfs/dbraw/zinc/16/50/35/348165035.db2.gz ZACAYYOUVUJASN-UHFFFAOYSA-N 1 2 232.331 1.984 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(OC)n1 ZINC000174047668 187390221 /nfs/dbraw/zinc/39/02/21/187390221.db2.gz IKJQOHSKOCIXFV-UHFFFAOYSA-N 1 2 214.268 1.159 20 30 BDEDLO COCc1n[nH]c(C[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000595069406 348188221 /nfs/dbraw/zinc/18/82/21/348188221.db2.gz RZIRGALDLQPGPZ-ZJUUUORDSA-N 1 2 249.318 1.123 20 30 BDEDLO COCc1nnc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)[nH]1 ZINC000595069406 348188222 /nfs/dbraw/zinc/18/82/22/348188222.db2.gz RZIRGALDLQPGPZ-ZJUUUORDSA-N 1 2 249.318 1.123 20 30 BDEDLO CN(Cc1nc(C#N)cs1)Cc1[nH]cc[nH+]1 ZINC000595401626 348239402 /nfs/dbraw/zinc/23/94/02/348239402.db2.gz HFLYLOHTWUWISV-UHFFFAOYSA-N 1 2 233.300 1.370 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000595454924 348254771 /nfs/dbraw/zinc/25/47/71/348254771.db2.gz LNKVUMBMHOTHIF-MXWKQRLJSA-N 1 2 212.268 1.227 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000595454924 348254772 /nfs/dbraw/zinc/25/47/72/348254772.db2.gz LNKVUMBMHOTHIF-MXWKQRLJSA-N 1 2 212.268 1.227 20 30 BDEDLO C=CCCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595531381 348274042 /nfs/dbraw/zinc/27/40/42/348274042.db2.gz FDMNMPCWUIWIAI-LBPRGKRZSA-N 1 2 229.320 1.246 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CNC(=O)C1)C2 ZINC000595563045 348281864 /nfs/dbraw/zinc/28/18/64/348281864.db2.gz XXSWLXJIJHBCPC-SNVBAGLBSA-N 1 2 241.294 1.010 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CNC(=O)C1)C2 ZINC000595563045 348281866 /nfs/dbraw/zinc/28/18/66/348281866.db2.gz XXSWLXJIJHBCPC-SNVBAGLBSA-N 1 2 241.294 1.010 20 30 BDEDLO CCCNC(=O)CCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595709819 348321489 /nfs/dbraw/zinc/32/14/89/348321489.db2.gz JNPGWFBQJVRMKY-LLVKDONJSA-N 1 2 237.347 1.669 20 30 BDEDLO CCCNC(=O)CCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595709819 348321492 /nfs/dbraw/zinc/32/14/92/348321492.db2.gz JNPGWFBQJVRMKY-LLVKDONJSA-N 1 2 237.347 1.669 20 30 BDEDLO C=CCC[NH2+][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595734850 348318307 /nfs/dbraw/zinc/31/83/07/348318307.db2.gz QECHAJMJLYJDCQ-ZDUSSCGKSA-N 1 2 241.331 1.653 20 30 BDEDLO C[C@@H](C#N)[N@H+](CC1CCOCC1)C1CC1 ZINC000595713093 348324627 /nfs/dbraw/zinc/32/46/27/348324627.db2.gz RPXGQUJDJVLNPY-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CC1CCOCC1)C1CC1 ZINC000595713093 348324628 /nfs/dbraw/zinc/32/46/28/348324628.db2.gz RPXGQUJDJVLNPY-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@]12COC[C@H]1C[N@H+](Cc1nc(C#N)cs1)C2 ZINC000595755855 348330017 /nfs/dbraw/zinc/33/00/17/348330017.db2.gz DVWYNPXVLHTNPO-SKDRFNHKSA-N 1 2 249.339 1.483 20 30 BDEDLO C[C@]12COC[C@H]1C[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000595755855 348330019 /nfs/dbraw/zinc/33/00/19/348330019.db2.gz DVWYNPXVLHTNPO-SKDRFNHKSA-N 1 2 249.339 1.483 20 30 BDEDLO CCCCCNC(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834058 348367131 /nfs/dbraw/zinc/36/71/31/348367131.db2.gz GNPOUWMGBQTFST-ZDUSSCGKSA-N 1 2 237.347 1.528 20 30 BDEDLO CCCCCNC(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834058 348367132 /nfs/dbraw/zinc/36/71/32/348367132.db2.gz 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/nfs/dbraw/zinc/37/08/12/348370812.db2.gz GUWKILBZIKCCFE-YPMHNXCESA-N 1 2 235.331 1.231 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839135 348372483 /nfs/dbraw/zinc/37/24/83/348372483.db2.gz ZLDRBBUFWXCFDC-WCQYABFASA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839135 348372487 /nfs/dbraw/zinc/37/24/87/348372487.db2.gz ZLDRBBUFWXCFDC-WCQYABFASA-N 1 2 237.347 1.477 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCn2ccccc2=O)C1 ZINC000595840185 348373413 /nfs/dbraw/zinc/37/34/13/348373413.db2.gz OLHGWKRWGIDKBS-ZDUSSCGKSA-N 1 2 231.299 1.084 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCn2ccccc2=O)C1 ZINC000595840185 348373415 /nfs/dbraw/zinc/37/34/15/348373415.db2.gz OLHGWKRWGIDKBS-ZDUSSCGKSA-N 1 2 231.299 1.084 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccncc2)C1 ZINC000595840680 348374556 /nfs/dbraw/zinc/37/45/56/348374556.db2.gz RVBQASJCJVNOSK-LBPRGKRZSA-N 1 2 201.273 1.817 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccncc2)C1 ZINC000595840680 348374559 /nfs/dbraw/zinc/37/45/59/348374559.db2.gz RVBQASJCJVNOSK-LBPRGKRZSA-N 1 2 201.273 1.817 20 30 BDEDLO COc1ncccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843522 348381241 /nfs/dbraw/zinc/38/12/41/348381241.db2.gz KSSKNPFOYDONAU-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1ncccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595843522 348381244 /nfs/dbraw/zinc/38/12/44/348381244.db2.gz KSSKNPFOYDONAU-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccco2)CC1 ZINC000049817315 187395601 /nfs/dbraw/zinc/39/56/01/187395601.db2.gz AHMAMCOAVUUQOR-UHFFFAOYSA-N 1 2 219.288 1.311 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000266064860 187397161 /nfs/dbraw/zinc/39/71/61/187397161.db2.gz ZVAJYVRCSYJDGN-UHFFFAOYSA-N 1 2 234.274 1.719 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000266064860 187397163 /nfs/dbraw/zinc/39/71/63/187397163.db2.gz ZVAJYVRCSYJDGN-UHFFFAOYSA-N 1 2 234.274 1.719 20 30 BDEDLO C#CC[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000268133206 187398246 /nfs/dbraw/zinc/39/82/46/187398246.db2.gz CXRKYNSIZATTGC-LLVKDONJSA-N 1 2 216.284 1.168 20 30 BDEDLO C#CC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000268133206 187398248 /nfs/dbraw/zinc/39/82/48/187398248.db2.gz CXRKYNSIZATTGC-LLVKDONJSA-N 1 2 216.284 1.168 20 30 BDEDLO C[C@H](Nc1cnc(C#N)cn1)c1[nH+]ccn1C ZINC000596542454 348583489 /nfs/dbraw/zinc/58/34/89/348583489.db2.gz IHDXOUXGDCTIOT-QMMMGPOBSA-N 1 2 228.259 1.255 20 30 BDEDLO Cc1nc2ccccn2c1C[NH+]1CC(CC#N)C1 ZINC000597194123 348671184 /nfs/dbraw/zinc/67/11/84/348671184.db2.gz NSWZEVLLVFDAPE-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO CC1(C#N)CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000597080398 348657988 /nfs/dbraw/zinc/65/79/88/348657988.db2.gz GYDKCNNRHBPIIB-UHFFFAOYSA-N 1 2 244.342 1.955 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc(CO)o2)C1 ZINC000597194057 348671339 /nfs/dbraw/zinc/67/13/39/348671339.db2.gz MSJAAZGZAORBEU-UHFFFAOYSA-N 1 2 206.245 1.117 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000597081660 348658730 /nfs/dbraw/zinc/65/87/30/348658730.db2.gz CIQRCUFTQWHBGK-UHFFFAOYSA-N 1 2 218.304 1.469 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000597134944 348660570 /nfs/dbraw/zinc/66/05/70/348660570.db2.gz MGHLKHLGJKTUEN-NWDGAFQWSA-N 1 2 246.314 1.596 20 30 BDEDLO CCCn1nccc1C[NH2+]CC1(C#N)CC1 ZINC000597118669 348663795 /nfs/dbraw/zinc/66/37/95/348663795.db2.gz AXTKTPPYDVCHDD-UHFFFAOYSA-N 1 2 218.304 1.686 20 30 BDEDLO N#CCC1C[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000597202730 348676251 /nfs/dbraw/zinc/67/62/51/348676251.db2.gz BEGPTZHZCKTGDY-UHFFFAOYSA-N 1 2 240.257 1.494 20 30 BDEDLO COCCCn1nccc1C[NH+]1CC(CC#N)C1 ZINC000597203566 348676719 /nfs/dbraw/zinc/67/67/19/348676719.db2.gz KYJZMZZZZVZMNJ-UHFFFAOYSA-N 1 2 248.330 1.265 20 30 BDEDLO Cc1cnn(C)c1C[NH+]1CC(CC#N)C1 ZINC000597203868 348677914 /nfs/dbraw/zinc/67/79/14/348677914.db2.gz PXGPFEJZOKAACI-UHFFFAOYSA-N 1 2 204.277 1.074 20 30 BDEDLO CCc1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597231759 348699603 /nfs/dbraw/zinc/69/96/03/348699603.db2.gz OSGQDBQVMSSUMY-CYBMUJFWSA-N 1 2 230.315 1.775 20 30 BDEDLO CCc1ncc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597231759 348699608 /nfs/dbraw/zinc/69/96/08/348699608.db2.gz OSGQDBQVMSSUMY-CYBMUJFWSA-N 1 2 230.315 1.775 20 30 BDEDLO CC[C@@H](C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000597601349 348767563 /nfs/dbraw/zinc/76/75/63/348767563.db2.gz ZYBCZHAXVKPFPH-VIFPVBQESA-N 1 2 228.255 1.823 20 30 BDEDLO Cc1cc(CNC(=O)[C@@H](C)CC#N)cc(C)[nH+]1 ZINC000597788616 348818040 /nfs/dbraw/zinc/81/80/40/348818040.db2.gz WEPFQSLQHIXNQW-VIFPVBQESA-N 1 2 231.299 1.864 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000598129440 348890137 /nfs/dbraw/zinc/89/01/37/348890137.db2.gz IBSXTJPQCHQYSC-JTQLQIEISA-N 1 2 232.287 1.176 20 30 BDEDLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)C#N ZINC000598349482 348936320 /nfs/dbraw/zinc/93/63/20/348936320.db2.gz KYMWCBFOWFPHPH-WDEREUQCSA-N 1 2 246.314 1.206 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@H](C)C#N ZINC000598362646 348948649 /nfs/dbraw/zinc/94/86/49/348948649.db2.gz GVFDZRXTAOMTIC-ZJUUUORDSA-N 1 2 246.314 1.275 20 30 BDEDLO CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@H](C)C#N ZINC000598362646 348948652 /nfs/dbraw/zinc/94/86/52/348948652.db2.gz GVFDZRXTAOMTIC-ZJUUUORDSA-N 1 2 246.314 1.275 20 30 BDEDLO C[C@H](CC(=O)N1CC[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC000598419620 348956883 /nfs/dbraw/zinc/95/68/83/348956883.db2.gz JBSXDAABXKXQFS-DGCLKSJQSA-N 1 2 246.314 1.596 20 30 BDEDLO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)C#N ZINC000598627128 349004531 /nfs/dbraw/zinc/00/45/31/349004531.db2.gz DQWNMWHLXZFRJK-MNOVXSKESA-N 1 2 223.320 1.521 20 30 BDEDLO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)C#N ZINC000598627128 349004534 /nfs/dbraw/zinc/00/45/34/349004534.db2.gz DQWNMWHLXZFRJK-MNOVXSKESA-N 1 2 223.320 1.521 20 30 BDEDLO CCOc1cncc(C[NH2+]C[C@H](C)C#N)c1 ZINC000598673782 349019680 /nfs/dbraw/zinc/01/96/80/349019680.db2.gz KQPQDRYRVIITHV-SNVBAGLBSA-N 1 2 219.288 1.730 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947105 349065326 /nfs/dbraw/zinc/06/53/26/349065326.db2.gz JOJXPSYYDBNZCQ-MFKMUULPSA-N 1 2 246.314 1.254 20 30 BDEDLO CCO[C@H](C[N@@H+](CCC#N)CCOC)C1CC1 ZINC000599308608 349144462 /nfs/dbraw/zinc/14/44/62/349144462.db2.gz VBMBBSSNGAYFIJ-CYBMUJFWSA-N 1 2 240.347 1.664 20 30 BDEDLO CCO[C@H](C[N@H+](CCC#N)CCOC)C1CC1 ZINC000599308608 349144464 /nfs/dbraw/zinc/14/44/64/349144464.db2.gz VBMBBSSNGAYFIJ-CYBMUJFWSA-N 1 2 240.347 1.664 20 30 BDEDLO CC[N@H+](CCCCC(=O)OC)[C@H](C)C#N ZINC000599475165 349195395 /nfs/dbraw/zinc/19/53/95/349195395.db2.gz INZKCXXHPUWGRS-SNVBAGLBSA-N 1 2 212.293 1.564 20 30 BDEDLO CC[N@@H+](CCCCC(=O)OC)[C@H](C)C#N ZINC000599475165 349195398 /nfs/dbraw/zinc/19/53/98/349195398.db2.gz INZKCXXHPUWGRS-SNVBAGLBSA-N 1 2 212.293 1.564 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599514868 349204231 /nfs/dbraw/zinc/20/42/31/349204231.db2.gz MHKCDSWJAIKWEE-OPRDCNLKSA-N 1 2 247.285 1.937 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514867 349204576 /nfs/dbraw/zinc/20/45/76/349204576.db2.gz MHKCDSWJAIKWEE-LPEHRKFASA-N 1 2 247.285 1.937 20 30 BDEDLO C=CCCOCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882860 350048173 /nfs/dbraw/zinc/04/81/73/350048173.db2.gz ZJICTJUQNMHDGP-UHFFFAOYSA-N 1 2 245.282 1.866 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(C#N)CC1(C)C ZINC000427881872 191099094 /nfs/dbraw/zinc/09/90/94/191099094.db2.gz KEUFGROFNZYKBD-CYBMUJFWSA-N 1 2 246.314 1.161 20 30 BDEDLO Cn1c[nH+]cc1CN(CCC#N)CCC#N ZINC000336667879 350427619 /nfs/dbraw/zinc/42/76/19/350427619.db2.gz HCIDZKSQLUJGFH-UHFFFAOYSA-N 1 2 217.276 1.049 20 30 BDEDLO CC[N@@H+](Cc1cnn(C)c1C)C[C@@H](C)C#N ZINC000336674120 350432406 /nfs/dbraw/zinc/43/24/06/350432406.db2.gz LJBWORLGBRLYNT-JTQLQIEISA-N 1 2 220.320 1.710 20 30 BDEDLO CC[N@H+](Cc1cnn(C)c1C)C[C@@H](C)C#N ZINC000336674120 350432408 /nfs/dbraw/zinc/43/24/08/350432408.db2.gz LJBWORLGBRLYNT-JTQLQIEISA-N 1 2 220.320 1.710 20 30 BDEDLO N#CCC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000336684749 350445853 /nfs/dbraw/zinc/44/58/53/350445853.db2.gz UQTMHATVTXZCAW-LBPRGKRZSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@@H](C#N)CN(Cc1c[nH+]cn1C)C1CC1 ZINC000336709933 350462529 /nfs/dbraw/zinc/46/25/29/350462529.db2.gz YDROKGZSBXWXLX-JTQLQIEISA-N 1 2 218.304 1.544 20 30 BDEDLO Cc1nnc([C@H](C)[NH2+]CC2(CC#N)CC2)o1 ZINC000309533765 350707057 /nfs/dbraw/zinc/70/70/57/350707057.db2.gz DRFWDPWWTBJXQW-QMMMGPOBSA-N 1 2 220.276 1.723 20 30 BDEDLO C#CC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000051650505 350759127 /nfs/dbraw/zinc/75/91/27/350759127.db2.gz LFSIZCAIWPDBJK-UHFFFAOYSA-N 1 2 241.294 1.583 20 30 BDEDLO CC#CC[N@H+](C)CC[S@@](=O)c1ccccc1 ZINC000339765419 350825373 /nfs/dbraw/zinc/82/53/73/350825373.db2.gz GQIXFNCITGSFGZ-MRXNPFEDSA-N 1 2 235.352 1.749 20 30 BDEDLO CC#CC[N@@H+](C)CC[S@@](=O)c1ccccc1 ZINC000339765419 350825376 /nfs/dbraw/zinc/82/53/76/350825376.db2.gz GQIXFNCITGSFGZ-MRXNPFEDSA-N 1 2 235.352 1.749 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000052101306 350937258 /nfs/dbraw/zinc/93/72/58/350937258.db2.gz MLMWTWREKAHIBK-UHFFFAOYSA-N 1 2 239.344 1.186 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000052101306 350937261 /nfs/dbraw/zinc/93/72/61/350937261.db2.gz MLMWTWREKAHIBK-UHFFFAOYSA-N 1 2 239.344 1.186 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397595491 350950320 /nfs/dbraw/zinc/95/03/20/350950320.db2.gz DIFPHUVVFLHHSP-WDEREUQCSA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000397595491 350950323 /nfs/dbraw/zinc/95/03/23/350950323.db2.gz DIFPHUVVFLHHSP-WDEREUQCSA-N 1 2 224.304 1.564 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc2cnccn12 ZINC000271121396 351402080 /nfs/dbraw/zinc/40/20/80/351402080.db2.gz ICRCYXICMNZLEU-SNVBAGLBSA-N 1 2 229.287 1.321 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc2cnccn12 ZINC000271121396 351402083 /nfs/dbraw/zinc/40/20/83/351402083.db2.gz ICRCYXICMNZLEU-SNVBAGLBSA-N 1 2 229.287 1.321 20 30 BDEDLO CCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276635870 351640622 /nfs/dbraw/zinc/64/06/22/351640622.db2.gz UHMIMWOXGKEONJ-SNAWJCMRSA-N 1 2 218.260 1.185 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000577842169 366080892 /nfs/dbraw/zinc/08/08/92/366080892.db2.gz LFKWXSFBARUUHW-ZYHUDNBSSA-N 1 2 243.314 1.820 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000577842169 366080899 /nfs/dbraw/zinc/08/08/99/366080899.db2.gz LFKWXSFBARUUHW-ZYHUDNBSSA-N 1 2 243.314 1.820 20 30 BDEDLO Cc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000283924301 351986691 /nfs/dbraw/zinc/98/66/91/351986691.db2.gz DWBAEOPHAGSDCI-LBPRGKRZSA-N 1 2 234.299 1.963 20 30 BDEDLO Cc1noc(C)c1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284022644 351989300 /nfs/dbraw/zinc/98/93/00/351989300.db2.gz IDNHDSRXSSGCEQ-JTQLQIEISA-N 1 2 239.275 1.259 20 30 BDEDLO COc1cncc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000290150293 352211403 /nfs/dbraw/zinc/21/14/03/352211403.db2.gz CPZRALIHYDBBPE-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO COc1cncc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000290150293 352211406 /nfs/dbraw/zinc/21/14/06/352211406.db2.gz CPZRALIHYDBBPE-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000290316547 352220376 /nfs/dbraw/zinc/22/03/76/352220376.db2.gz BDMZLUDUSDJIAC-VIFPVBQESA-N 1 2 229.287 1.692 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000290316547 352220379 /nfs/dbraw/zinc/22/03/79/352220379.db2.gz BDMZLUDUSDJIAC-VIFPVBQESA-N 1 2 229.287 1.692 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366677753 352222972 /nfs/dbraw/zinc/22/29/72/352222972.db2.gz FVFBGFUFFVJHHN-VHSXEESVSA-N 1 2 235.274 1.015 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366677753 352222976 /nfs/dbraw/zinc/22/29/76/352222976.db2.gz FVFBGFUFFVJHHN-VHSXEESVSA-N 1 2 235.274 1.015 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H]1CCCCO1 ZINC000292204757 352307163 /nfs/dbraw/zinc/30/71/63/352307163.db2.gz NYYOPRGBVVOQAB-GFCCVEGCSA-N 1 2 208.305 1.957 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCCCO1 ZINC000292204757 352307166 /nfs/dbraw/zinc/30/71/66/352307166.db2.gz NYYOPRGBVVOQAB-GFCCVEGCSA-N 1 2 208.305 1.957 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOC1CCC1 ZINC000292244516 352310001 /nfs/dbraw/zinc/31/00/01/352310001.db2.gz QKUUZZATIOZUNH-UHFFFAOYSA-N 1 2 208.305 1.957 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOC1CCC1 ZINC000292244516 352310003 /nfs/dbraw/zinc/31/00/03/352310003.db2.gz QKUUZZATIOZUNH-UHFFFAOYSA-N 1 2 208.305 1.957 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000334228264 352845394 /nfs/dbraw/zinc/84/53/94/352845394.db2.gz ODTRDEJLTBVLSK-LLVKDONJSA-N 1 2 204.277 1.434 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000334228264 352845395 /nfs/dbraw/zinc/84/53/95/352845395.db2.gz ODTRDEJLTBVLSK-LLVKDONJSA-N 1 2 204.277 1.434 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000223053676 353129405 /nfs/dbraw/zinc/12/94/05/353129405.db2.gz DILJISLLHCQISZ-LURJTMIESA-N 1 2 200.694 1.908 20 30 BDEDLO CC(C)[N@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000362304689 188071785 /nfs/dbraw/zinc/07/17/85/188071785.db2.gz IDIQTVUMCOWANO-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO CC(C)[N@@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000362304689 188071787 /nfs/dbraw/zinc/07/17/87/188071787.db2.gz IDIQTVUMCOWANO-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(O)c1OC ZINC000272275848 188089947 /nfs/dbraw/zinc/08/99/47/188089947.db2.gz MBNWKZRVCLDUJH-UHFFFAOYSA-N 1 2 229.279 1.469 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1)C1CC1 ZINC000274183762 188091684 /nfs/dbraw/zinc/09/16/84/188091684.db2.gz PERKZWOTNKKRQG-UHFFFAOYSA-N 1 2 228.295 1.723 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1ccccc1)C1CC1 ZINC000274183762 188091685 /nfs/dbraw/zinc/09/16/85/188091685.db2.gz PERKZWOTNKKRQG-UHFFFAOYSA-N 1 2 228.295 1.723 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)o1)C1CC1 ZINC000274020653 188091982 /nfs/dbraw/zinc/09/19/82/188091982.db2.gz CCDOSJCRBSVNRB-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)o1)C1CC1 ZINC000274020653 188091983 /nfs/dbraw/zinc/09/19/83/188091983.db2.gz CCDOSJCRBSVNRB-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO CC#CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000277829870 188095071 /nfs/dbraw/zinc/09/50/71/188095071.db2.gz XMDPFKVBBVRDLS-SNVBAGLBSA-N 1 2 217.272 1.487 20 30 BDEDLO C#CCCCCNC(=O)CCc1c[nH+]cn1C ZINC000279861297 188095426 /nfs/dbraw/zinc/09/54/26/188095426.db2.gz KPVVRAWWVFXPRQ-UHFFFAOYSA-N 1 2 233.315 1.272 20 30 BDEDLO CC#CC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000079497731 188087176 /nfs/dbraw/zinc/08/71/76/188087176.db2.gz HMJDZVJKJIAHKC-NSHDSACASA-N 1 2 237.372 1.119 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)OCCCC ZINC000266901346 188088352 /nfs/dbraw/zinc/08/83/52/188088352.db2.gz GQMUXSSYKSZODT-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)OCCCC ZINC000266901346 188088353 /nfs/dbraw/zinc/08/83/53/188088353.db2.gz GQMUXSSYKSZODT-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000330851659 353194015 /nfs/dbraw/zinc/19/40/15/353194015.db2.gz QOVJTDAGGZRJBI-AAEUAGOBSA-N 1 2 243.310 1.907 20 30 BDEDLO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1C ZINC000330838834 353185533 /nfs/dbraw/zinc/18/55/33/353185533.db2.gz MNOOGNCKLNJKQH-NXEZZACHSA-N 1 2 233.319 1.159 20 30 BDEDLO CCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186827151 535208074 /nfs/dbraw/zinc/20/80/74/535208074.db2.gz JLODACMJJZXGTH-UHFFFAOYSA-N 1 2 226.251 1.903 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330972026 353206228 /nfs/dbraw/zinc/20/62/28/353206228.db2.gz MVXKRIBVDYLBSG-UWVGGRQHSA-N 1 2 246.314 1.638 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330972026 353206231 /nfs/dbraw/zinc/20/62/31/353206231.db2.gz MVXKRIBVDYLBSG-UWVGGRQHSA-N 1 2 246.314 1.638 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330972028 353206250 /nfs/dbraw/zinc/20/62/50/353206250.db2.gz MVXKRIBVDYLBSG-VHSXEESVSA-N 1 2 246.314 1.638 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 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ZINC000330007744 538114311 /nfs/dbraw/zinc/11/43/11/538114311.db2.gz GCKRCTHMJJCIGU-LBPRGKRZSA-N 1 2 237.303 1.868 20 30 BDEDLO C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCOC1 ZINC000330007744 538114312 /nfs/dbraw/zinc/11/43/12/538114312.db2.gz GCKRCTHMJJCIGU-LBPRGKRZSA-N 1 2 237.303 1.868 20 30 BDEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000403046574 353311332 /nfs/dbraw/zinc/31/13/32/353311332.db2.gz AUFYAVDKMKFQSW-YVECIDJPSA-N 1 2 220.316 1.647 20 30 BDEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000403046574 353311334 /nfs/dbraw/zinc/31/13/34/353311334.db2.gz AUFYAVDKMKFQSW-YVECIDJPSA-N 1 2 220.316 1.647 20 30 BDEDLO C=CC[C@H](CC)Nc1nc(C)[nH+]c(N)n1 ZINC000393806011 353360894 /nfs/dbraw/zinc/36/08/94/353360894.db2.gz BFBVXPQLDCDZHY-QMMMGPOBSA-N 1 2 207.281 1.359 20 30 BDEDLO C=CC[C@H](CC)Nc1nc(N)nc(C)[nH+]1 ZINC000393806011 353360897 /nfs/dbraw/zinc/36/08/97/353360897.db2.gz BFBVXPQLDCDZHY-QMMMGPOBSA-N 1 2 207.281 1.359 20 30 BDEDLO C#CC[N@@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190666874 353408295 /nfs/dbraw/zinc/40/82/95/353408295.db2.gz IZSVYQZQLKQEKN-LLVKDONJSA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190666874 353408297 /nfs/dbraw/zinc/40/82/97/353408297.db2.gz IZSVYQZQLKQEKN-LLVKDONJSA-N 1 2 209.289 1.426 20 30 BDEDLO CC#CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283080878 353495370 /nfs/dbraw/zinc/49/53/70/353495370.db2.gz FFQJUCMEWYRUIN-SNVBAGLBSA-N 1 2 217.272 1.139 20 30 BDEDLO CCNC(=O)C[N@H+](CC)CC#Cc1ccccc1 ZINC000191894288 353519915 /nfs/dbraw/zinc/51/99/15/353519915.db2.gz HGWMNMOKSLCWDM-UHFFFAOYSA-N 1 2 244.338 1.496 20 30 BDEDLO CCNC(=O)C[N@@H+](CC)CC#Cc1ccccc1 ZINC000191894288 353519917 /nfs/dbraw/zinc/51/99/17/353519917.db2.gz HGWMNMOKSLCWDM-UHFFFAOYSA-N 1 2 244.338 1.496 20 30 BDEDLO CC(C)NC(=O)C[N@H+](C)CC#Cc1ccccc1 ZINC000191915076 353521192 /nfs/dbraw/zinc/52/11/92/353521192.db2.gz RTMGYIAITUMFRF-UHFFFAOYSA-N 1 2 244.338 1.495 20 30 BDEDLO CC(C)NC(=O)C[N@@H+](C)CC#Cc1ccccc1 ZINC000191915076 353521195 /nfs/dbraw/zinc/52/11/95/353521195.db2.gz RTMGYIAITUMFRF-UHFFFAOYSA-N 1 2 244.338 1.495 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000192218742 353536686 /nfs/dbraw/zinc/53/66/86/353536686.db2.gz NPMYXBXQQMWZMA-UHFFFAOYSA-N 1 2 230.311 1.753 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000192218742 353536688 /nfs/dbraw/zinc/53/66/88/353536688.db2.gz NPMYXBXQQMWZMA-UHFFFAOYSA-N 1 2 230.311 1.753 20 30 BDEDLO C#CCCCC(=O)Nc1c[nH+]ccc1OC ZINC000192099605 353541764 /nfs/dbraw/zinc/54/17/64/353541764.db2.gz QRFWZVZRYBRDJY-UHFFFAOYSA-N 1 2 218.256 1.832 20 30 BDEDLO C#CCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192171340 353546334 /nfs/dbraw/zinc/54/63/34/353546334.db2.gz WUXRWDAIYQGOFD-UHFFFAOYSA-N 1 2 241.294 1.754 20 30 BDEDLO C=CC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000287896285 353593143 /nfs/dbraw/zinc/59/31/43/353593143.db2.gz HLMZOBZINWZAMT-VIFPVBQESA-N 1 2 207.277 1.423 20 30 BDEDLO C=CC[C@@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000183444513 353551740 /nfs/dbraw/zinc/55/17/40/353551740.db2.gz BWOSWGSFMGFRFJ-JTQLQIEISA-N 1 2 235.287 1.449 20 30 BDEDLO N#CC[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425543280 353565007 /nfs/dbraw/zinc/56/50/07/353565007.db2.gz OQNZUVTURXDGKD-LBPRGKRZSA-N 1 2 238.331 1.057 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000289431729 353628375 /nfs/dbraw/zinc/62/83/75/353628375.db2.gz XRXWRSVBCYKZLZ-CQSZACIVSA-N 1 2 240.310 1.669 20 30 BDEDLO C#CC[N@@H+](Cc1cnc([C@H](C)O)s1)C1CC1 ZINC000289807173 353636669 /nfs/dbraw/zinc/63/66/69/353636669.db2.gz SQDYWDRXCJSQIA-VIFPVBQESA-N 1 2 236.340 1.794 20 30 BDEDLO C#CC[N@H+](Cc1cnc([C@H](C)O)s1)C1CC1 ZINC000289807173 353636671 /nfs/dbraw/zinc/63/66/71/353636671.db2.gz SQDYWDRXCJSQIA-VIFPVBQESA-N 1 2 236.340 1.794 20 30 BDEDLO C#CC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184592094 353684089 /nfs/dbraw/zinc/68/40/89/353684089.db2.gz ACOHLFRKLCJYKR-NSHDSACASA-N 1 2 235.356 1.455 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000293224496 353737996 /nfs/dbraw/zinc/73/79/96/353737996.db2.gz RXLDUYGSZKZDRX-CQSZACIVSA-N 1 2 244.338 1.771 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000293224496 353737997 /nfs/dbraw/zinc/73/79/97/353737997.db2.gz RXLDUYGSZKZDRX-CQSZACIVSA-N 1 2 244.338 1.771 20 30 BDEDLO C=CC(C)(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000295056110 353797507 /nfs/dbraw/zinc/79/75/07/353797507.db2.gz UXLHKTCMMQZZGE-UHFFFAOYSA-N 1 2 235.331 1.944 20 30 BDEDLO C#CC[N@@H+](C)CCN(C)Cc1ccccc1 ZINC000295847165 353815786 /nfs/dbraw/zinc/81/57/86/353815786.db2.gz AXMASDJORRVXCI-UHFFFAOYSA-N 1 2 216.328 1.683 20 30 BDEDLO C#CC[N@H+](C)CCN(C)Cc1ccccc1 ZINC000295847165 353815788 /nfs/dbraw/zinc/81/57/88/353815788.db2.gz AXMASDJORRVXCI-UHFFFAOYSA-N 1 2 216.328 1.683 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000296211295 353816654 /nfs/dbraw/zinc/81/66/54/353816654.db2.gz AHDGVQNYLBGEBV-JTQLQIEISA-N 1 2 236.319 1.667 20 30 BDEDLO C=C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)C(=O)OC ZINC000300990421 363268194 /nfs/dbraw/zinc/26/81/94/363268194.db2.gz FTPUKIJABWGIGP-SECBINFHSA-N 1 2 225.332 1.986 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000366848514 354023148 /nfs/dbraw/zinc/02/31/48/354023148.db2.gz GEDNKTXUNWTLIQ-VXGBXAGGSA-N 1 2 245.326 1.220 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(C(C)C)CC1)C(=O)OC ZINC000301043005 363369931 /nfs/dbraw/zinc/36/99/31/363369931.db2.gz LCRLSRWCIQPHQP-SNVBAGLBSA-N 1 2 211.305 1.740 20 30 BDEDLO N#Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000020253713 181127390 /nfs/dbraw/zinc/12/73/90/181127390.db2.gz LWXRRXCEONMYLH-UHFFFAOYSA-N 1 2 213.240 1.834 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncnn1C ZINC000334659738 354456982 /nfs/dbraw/zinc/45/69/82/354456982.db2.gz SJTSTCZQAZXTIZ-SNVBAGLBSA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncnn1C ZINC000334659738 354456987 /nfs/dbraw/zinc/45/69/87/354456987.db2.gz SJTSTCZQAZXTIZ-SNVBAGLBSA-N 1 2 206.293 1.356 20 30 BDEDLO Cc1[nH+]c2cc(NC(=O)[C@H](C)C#N)ccc2n1C ZINC000334801406 354556783 /nfs/dbraw/zinc/55/67/83/354556783.db2.gz AWMGCPVNSALRRC-MRVPVSSYSA-N 1 2 242.282 1.980 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346019079 354827997 /nfs/dbraw/zinc/82/79/97/354827997.db2.gz PNDZWADYPRNZPK-CMPLNLGQSA-N 1 2 245.282 1.221 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](CC)C[C@@H]1CCCO1 ZINC000301050991 363395398 /nfs/dbraw/zinc/39/53/98/363395398.db2.gz TTZSAJRWUHXKAK-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000301050991 363395402 /nfs/dbraw/zinc/39/54/02/363395402.db2.gz TTZSAJRWUHXKAK-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CCCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347636745 355243621 /nfs/dbraw/zinc/24/36/21/355243621.db2.gz BDCQVSLLLKAFAS-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347636745 355243622 /nfs/dbraw/zinc/24/36/22/355243622.db2.gz BDCQVSLLLKAFAS-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347636743 355243656 /nfs/dbraw/zinc/24/36/56/355243656.db2.gz BDCQVSLLLKAFAS-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347636743 355243659 /nfs/dbraw/zinc/24/36/59/355243659.db2.gz BDCQVSLLLKAFAS-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(C)CCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413311402 191371318 /nfs/dbraw/zinc/37/13/18/191371318.db2.gz IKBMYTRKNWXSCY-SNVBAGLBSA-N 1 2 236.319 1.069 20 30 BDEDLO C=C(C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413311402 191371320 /nfs/dbraw/zinc/37/13/20/191371320.db2.gz IKBMYTRKNWXSCY-SNVBAGLBSA-N 1 2 236.319 1.069 20 30 BDEDLO COc1cc(C[NH2+]C[C@H](C)C#N)sn1 ZINC000399136479 355760430 /nfs/dbraw/zinc/76/04/30/355760430.db2.gz AHFVRARXUVZJBI-SSDOTTSWSA-N 1 2 211.290 1.401 20 30 BDEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000329511747 355926901 /nfs/dbraw/zinc/92/69/01/355926901.db2.gz CDIFARPFQHEYFM-ZWNOBZJWSA-N 1 2 249.314 1.866 20 30 BDEDLO CCCn1cc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000352097648 134064403 /nfs/dbraw/zinc/06/44/03/134064403.db2.gz UZRPSBKEMBKBLR-LLVKDONJSA-N 1 2 220.320 1.885 20 30 BDEDLO CCCn1cc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000352097648 134064404 /nfs/dbraw/zinc/06/44/04/134064404.db2.gz UZRPSBKEMBKBLR-LLVKDONJSA-N 1 2 220.320 1.885 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257040 356025529 /nfs/dbraw/zinc/02/55/29/356025529.db2.gz ATZVSGOMSGWSCB-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO C=CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000617611305 356179205 /nfs/dbraw/zinc/17/92/05/356179205.db2.gz UBFACUONGKRSDJ-UHFFFAOYSA-N 1 2 233.315 1.454 20 30 BDEDLO CC1(C)C[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330182621 356179849 /nfs/dbraw/zinc/17/98/49/356179849.db2.gz PCMUDYBFRUINNB-ZJUUUORDSA-N 1 2 248.330 1.500 20 30 BDEDLO CC1(C)C[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330182621 356179850 /nfs/dbraw/zinc/17/98/50/356179850.db2.gz PCMUDYBFRUINNB-ZJUUUORDSA-N 1 2 248.330 1.500 20 30 BDEDLO CC[C@@H]1CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000330223351 356186643 /nfs/dbraw/zinc/18/66/43/356186643.db2.gz SHBQWZMMFPLAKY-VHSXEESVSA-N 1 2 248.330 1.665 20 30 BDEDLO CC[C@@H]1CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000330223351 356186645 /nfs/dbraw/zinc/18/66/45/356186645.db2.gz SHBQWZMMFPLAKY-VHSXEESVSA-N 1 2 248.330 1.665 20 30 BDEDLO C=CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000617779033 356350662 /nfs/dbraw/zinc/35/06/62/356350662.db2.gz SWKHWCLZUHVIGR-GFCCVEGCSA-N 1 2 233.315 1.698 20 30 BDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000049573315 356486121 /nfs/dbraw/zinc/48/61/21/356486121.db2.gz MRQMAKRLQOGDRR-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000049573315 356486123 /nfs/dbraw/zinc/48/61/23/356486123.db2.gz MRQMAKRLQOGDRR-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420955770 192280213 /nfs/dbraw/zinc/28/02/13/192280213.db2.gz MEJBXPDCPZZABQ-TXEJJXNPSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420955770 192280215 /nfs/dbraw/zinc/28/02/15/192280215.db2.gz MEJBXPDCPZZABQ-TXEJJXNPSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CC[NH+](CC=C)C[C@H](C)S(C)(=O)=O ZINC000450252825 202108219 /nfs/dbraw/zinc/10/82/19/202108219.db2.gz KCZUBHUGEQBTAA-JTQLQIEISA-N 1 2 217.334 1.094 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(C#N)n1 ZINC000609893039 356649664 /nfs/dbraw/zinc/64/96/64/356649664.db2.gz ZCMFHQKFACYJFA-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNc1cccc(C#N)n1 ZINC000609893039 356649667 /nfs/dbraw/zinc/64/96/67/356649667.db2.gz ZCMFHQKFACYJFA-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO CCCC[N@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450266309 202114069 /nfs/dbraw/zinc/11/40/69/202114069.db2.gz PKOGRAYHTQSBBN-UHFFFAOYSA-N 1 2 223.320 1.268 20 30 BDEDLO CCCC[N@@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450266309 202114073 /nfs/dbraw/zinc/11/40/73/202114073.db2.gz PKOGRAYHTQSBBN-UHFFFAOYSA-N 1 2 223.320 1.268 20 30 BDEDLO COC(=O)[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000088256869 356640039 /nfs/dbraw/zinc/64/00/39/356640039.db2.gz MTVIZHXMDVIINO-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO COC(=O)[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000088256869 356640042 /nfs/dbraw/zinc/64/00/42/356640042.db2.gz MTVIZHXMDVIINO-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO COC(=O)[C@@H](C1CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352441644 134145366 /nfs/dbraw/zinc/14/53/66/134145366.db2.gz ADPAGAMHJXVQFU-SNVBAGLBSA-N 1 2 240.278 1.266 20 30 BDEDLO CCC[N@H+](CC(=O)OC)CC1(CC#N)CC1 ZINC000088256890 356640327 /nfs/dbraw/zinc/64/03/27/356640327.db2.gz OXLDMUFDJLIFAH-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO CCC[N@@H+](CC(=O)OC)CC1(CC#N)CC1 ZINC000088256890 356640329 /nfs/dbraw/zinc/64/03/29/356640329.db2.gz OXLDMUFDJLIFAH-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336386612 134145934 /nfs/dbraw/zinc/14/59/34/134145934.db2.gz GJELFXCUPNYLCD-KOLCDFICSA-N 1 2 246.314 1.494 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336386612 134145935 /nfs/dbraw/zinc/14/59/35/134145935.db2.gz GJELFXCUPNYLCD-KOLCDFICSA-N 1 2 246.314 1.494 20 30 BDEDLO Cc1ncc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000352458476 134146097 /nfs/dbraw/zinc/14/60/97/134146097.db2.gz KZCDWZFOYYZSAZ-UHFFFAOYSA-N 1 2 234.278 1.613 20 30 BDEDLO Cc1cc(NC(=O)NC[C@H](C)C#N)cc[nH+]1 ZINC000179834578 366319150 /nfs/dbraw/zinc/31/91/50/366319150.db2.gz BFYXQLRMAOYWSH-MRVPVSSYSA-N 1 2 218.260 1.671 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000578154913 366334860 /nfs/dbraw/zinc/33/48/60/366334860.db2.gz RLORQWAFZZKOSP-NEPJUHHUSA-N 1 2 247.298 1.277 20 30 BDEDLO COCC#CC[N@H+](C)Cc1ccns1 ZINC000639806746 356777969 /nfs/dbraw/zinc/77/79/69/356777969.db2.gz GEKAOIGTMRUWQU-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO COCC#CC[N@@H+](C)Cc1ccns1 ZINC000639806746 356777970 /nfs/dbraw/zinc/77/79/70/356777970.db2.gz GEKAOIGTMRUWQU-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO CC[C@H](C(=O)OC)[NH+]1CCC(C)(C#N)CC1 ZINC000356462684 134178342 /nfs/dbraw/zinc/17/83/42/134178342.db2.gz UQEPEKIAESBCNQ-SNVBAGLBSA-N 1 2 224.304 1.564 20 30 BDEDLO N#CCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610079400 357064471 /nfs/dbraw/zinc/06/44/71/357064471.db2.gz SGZWZDPGBCNEAV-SECBINFHSA-N 1 2 236.237 1.943 20 30 BDEDLO N#CCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610079400 357064473 /nfs/dbraw/zinc/06/44/73/357064473.db2.gz SGZWZDPGBCNEAV-SECBINFHSA-N 1 2 236.237 1.943 20 30 BDEDLO C=CCCN(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358304068 134187430 /nfs/dbraw/zinc/18/74/30/134187430.db2.gz UWQJMFFXZNFRIP-SNVBAGLBSA-N 1 2 248.330 1.485 20 30 BDEDLO C=CCCN(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358304068 134187431 /nfs/dbraw/zinc/18/74/31/134187431.db2.gz UWQJMFFXZNFRIP-SNVBAGLBSA-N 1 2 248.330 1.485 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000131224452 325126794 /nfs/dbraw/zinc/12/67/94/325126794.db2.gz UNPGAWLUPSCDJF-YPMHNXCESA-N 1 2 241.331 1.245 20 30 BDEDLO C[N@H+](CCN1CCCC1=O)CC(C)(C)C#N ZINC000359745918 134197015 /nfs/dbraw/zinc/19/70/15/134197015.db2.gz QFYDYUSSMQLKMD-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C[N@@H+](CCN1CCCC1=O)CC(C)(C)C#N ZINC000359745918 134197016 /nfs/dbraw/zinc/19/70/16/134197016.db2.gz QFYDYUSSMQLKMD-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C=CCCCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000582855983 357421369 /nfs/dbraw/zinc/42/13/69/357421369.db2.gz HUHAUHXJWBMWKK-UHFFFAOYSA-N 1 2 249.362 1.826 20 30 BDEDLO C=CCCCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000582855983 357421372 /nfs/dbraw/zinc/42/13/72/357421372.db2.gz HUHAUHXJWBMWKK-UHFFFAOYSA-N 1 2 249.362 1.826 20 30 BDEDLO CCn1nccc1C[N@H+](CCO)CCCC#N ZINC000361363737 134204476 /nfs/dbraw/zinc/20/44/76/134204476.db2.gz ZREMLDSNEFDHPG-UHFFFAOYSA-N 1 2 236.319 1.001 20 30 BDEDLO CCn1nccc1C[N@@H+](CCO)CCCC#N ZINC000361363737 134204477 /nfs/dbraw/zinc/20/44/77/134204477.db2.gz ZREMLDSNEFDHPG-UHFFFAOYSA-N 1 2 236.319 1.001 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000361424509 134204868 /nfs/dbraw/zinc/20/48/68/134204868.db2.gz IJGGOPHNGDNYHH-UHFFFAOYSA-N 1 2 233.315 1.124 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1cnccc1C ZINC000361424509 134204869 /nfs/dbraw/zinc/20/48/69/134204869.db2.gz IJGGOPHNGDNYHH-UHFFFAOYSA-N 1 2 233.315 1.124 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH+]1CC2(C1)CCCOC2 ZINC000367487888 134215342 /nfs/dbraw/zinc/21/53/42/134215342.db2.gz CHENNBPKUNOLOB-LBPRGKRZSA-N 1 2 233.315 1.542 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@@H](CC)C(=O)OC ZINC000191144234 357753730 /nfs/dbraw/zinc/75/37/30/357753730.db2.gz WYJXLDIACMFEDE-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO C=CC[N@H+](CCOC)[C@@H](CC)C(=O)OC ZINC000191144234 357753733 /nfs/dbraw/zinc/75/37/33/357753733.db2.gz WYJXLDIACMFEDE-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO C[C@@H]1OCC[C@]12C[N@H+](CCC#N)C[C@@H](C)O2 ZINC000369299765 134222387 /nfs/dbraw/zinc/22/23/87/134222387.db2.gz WCDUSGWKOCZVGZ-WOPDTQHZSA-N 1 2 224.304 1.168 20 30 BDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CCC#N)C[C@@H](C)O2 ZINC000369299765 134222388 /nfs/dbraw/zinc/22/23/88/134222388.db2.gz WCDUSGWKOCZVGZ-WOPDTQHZSA-N 1 2 224.304 1.168 20 30 BDEDLO Cc1cc(NC(=O)c2ccnc(C#N)c2)cc[nH+]1 ZINC000193240814 357870900 /nfs/dbraw/zinc/87/09/00/357870900.db2.gz HIKYOMOOCANSCY-UHFFFAOYSA-N 1 2 238.250 1.909 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(C2CC2)C1=O ZINC000120461860 134229451 /nfs/dbraw/zinc/22/94/51/134229451.db2.gz HSJAIUJVORQMKK-ZYHUDNBSSA-N 1 2 235.331 1.231 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(C2CC2)C1=O ZINC000120461860 134229452 /nfs/dbraw/zinc/22/94/52/134229452.db2.gz HSJAIUJVORQMKK-ZYHUDNBSSA-N 1 2 235.331 1.231 20 30 BDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000372083123 134230418 /nfs/dbraw/zinc/23/04/18/134230418.db2.gz HQAVRDMCCBFMFT-LBPRGKRZSA-N 1 2 248.351 1.634 20 30 BDEDLO CC#CCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000372083123 134230419 /nfs/dbraw/zinc/23/04/19/134230419.db2.gz HQAVRDMCCBFMFT-LBPRGKRZSA-N 1 2 248.351 1.634 20 30 BDEDLO CCCN(CC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372317417 134231129 /nfs/dbraw/zinc/23/11/29/134231129.db2.gz WKURKPKVSKOJDZ-NSHDSACASA-N 1 2 246.314 1.208 20 30 BDEDLO C=CC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610449483 357942174 /nfs/dbraw/zinc/94/21/74/357942174.db2.gz UAMBHMOUMPTVCB-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610449483 357942176 /nfs/dbraw/zinc/94/21/76/357942176.db2.gz UAMBHMOUMPTVCB-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000374306992 134236190 /nfs/dbraw/zinc/23/61/90/134236190.db2.gz GCEAFMGKFCWPLB-LBPRGKRZSA-N 1 2 233.315 1.423 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000374306992 134236191 /nfs/dbraw/zinc/23/61/91/134236191.db2.gz GCEAFMGKFCWPLB-LBPRGKRZSA-N 1 2 233.315 1.423 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584473312 357990572 /nfs/dbraw/zinc/99/05/72/357990572.db2.gz XRKBEAJMNOWAJE-MNOVXSKESA-N 1 2 234.303 1.499 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1cn[nH]c1C ZINC000639970111 358022473 /nfs/dbraw/zinc/02/24/73/358022473.db2.gz BNJZPSRJVSKPIA-NSHDSACASA-N 1 2 209.293 1.087 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1cn[nH]c1C ZINC000639970111 358022477 /nfs/dbraw/zinc/02/24/77/358022477.db2.gz BNJZPSRJVSKPIA-NSHDSACASA-N 1 2 209.293 1.087 20 30 BDEDLO C[C@H](C#N)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610698591 358084919 /nfs/dbraw/zinc/08/49/19/358084919.db2.gz DMLZBQGGTSANQQ-SECBINFHSA-N 1 2 243.270 1.615 20 30 BDEDLO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1O ZINC000584697275 358153548 /nfs/dbraw/zinc/15/35/48/358153548.db2.gz WMDJQPXRYFJYCG-UHFFFAOYSA-N 1 2 232.283 1.794 20 30 BDEDLO Cc1cc(C)c(NC(=O)NCC#CCO)c(C)[nH+]1 ZINC000640142114 358236549 /nfs/dbraw/zinc/23/65/49/358236549.db2.gz YDYDULMHAXOOAF-UHFFFAOYSA-N 1 2 247.298 1.124 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000172991025 134271874 /nfs/dbraw/zinc/27/18/74/134271874.db2.gz WYNWZAKDIQOCCA-JTQLQIEISA-N 1 2 237.303 1.050 20 30 BDEDLO C=C(C)CCc1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000351229039 366455420 /nfs/dbraw/zinc/45/54/20/366455420.db2.gz RKVDTHPXDKCHGC-JTQLQIEISA-N 1 2 237.303 1.581 20 30 BDEDLO C=C(C)CCc1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000351229039 366455426 /nfs/dbraw/zinc/45/54/26/366455426.db2.gz RKVDTHPXDKCHGC-JTQLQIEISA-N 1 2 237.303 1.581 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)C[C@@H](C#N)CCC#N ZINC000610989097 358423674 /nfs/dbraw/zinc/42/36/74/358423674.db2.gz AKYZYKFDWUYICV-SNVBAGLBSA-N 1 2 217.276 1.285 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)C[C@@H](C#N)CCC#N ZINC000610989097 358423678 /nfs/dbraw/zinc/42/36/78/358423678.db2.gz AKYZYKFDWUYICV-SNVBAGLBSA-N 1 2 217.276 1.285 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@H](COCC)C(=O)OC ZINC000611207900 359117615 /nfs/dbraw/zinc/11/76/15/359117615.db2.gz CHAWHFHKNCHODD-SNVBAGLBSA-N 1 2 215.293 1.072 20 30 BDEDLO C=C(C)C[N@H+](C)[C@H](COCC)C(=O)OC ZINC000611207900 359117618 /nfs/dbraw/zinc/11/76/18/359117618.db2.gz CHAWHFHKNCHODD-SNVBAGLBSA-N 1 2 215.293 1.072 20 30 BDEDLO CC(C)[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611502255 359384805 /nfs/dbraw/zinc/38/48/05/359384805.db2.gz HHCUOXZVHGHJIT-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611502255 359384811 /nfs/dbraw/zinc/38/48/11/359384811.db2.gz HHCUOXZVHGHJIT-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO Cc1c(C[N@@H+]2CCC[C@](C)(C#N)C2)cnn1C ZINC000612158607 359708014 /nfs/dbraw/zinc/70/80/14/359708014.db2.gz MOOANDSCIZDGIL-CYBMUJFWSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1c(C[N@H+]2CCC[C@](C)(C#N)C2)cnn1C ZINC000612158607 359708015 /nfs/dbraw/zinc/70/80/15/359708015.db2.gz MOOANDSCIZDGIL-CYBMUJFWSA-N 1 2 232.331 1.854 20 30 BDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000130403029 359741885 /nfs/dbraw/zinc/74/18/85/359741885.db2.gz PFQXIDCMHDREQZ-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H]1C ZINC000130403029 359741889 /nfs/dbraw/zinc/74/18/89/359741889.db2.gz PFQXIDCMHDREQZ-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000450901247 202304475 /nfs/dbraw/zinc/30/44/75/202304475.db2.gz VWNUCYNPZRPZAP-LLVKDONJSA-N 1 2 243.310 1.791 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612345918 359801180 /nfs/dbraw/zinc/80/11/80/359801180.db2.gz NQJKGFOTPZARSS-MRVPVSSYSA-N 1 2 218.260 1.246 20 30 BDEDLO CCn1cc(C[NH2+]Cc2cc(C#N)cs2)nn1 ZINC000404454470 359806989 /nfs/dbraw/zinc/80/69/89/359806989.db2.gz LFXDVTFXLKZSEX-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@@H](OCC)C(C)C)C(=O)OC ZINC000619702707 363679907 /nfs/dbraw/zinc/67/99/07/363679907.db2.gz QCPIAHXQASBQKE-NWDGAFQWSA-N 1 2 243.347 1.755 20 30 BDEDLO CC(C)[N@H+](CC1(C#N)CCC1)C1COC1 ZINC000451119928 202358018 /nfs/dbraw/zinc/35/80/18/202358018.db2.gz IESMWBHRPHNCBH-UHFFFAOYSA-N 1 2 208.305 1.789 20 30 BDEDLO CC(C)[N@@H+](CC1(C#N)CCC1)C1COC1 ZINC000451119928 202358021 /nfs/dbraw/zinc/35/80/21/202358021.db2.gz IESMWBHRPHNCBH-UHFFFAOYSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1nn(C)c2ccccc12 ZINC000612585120 359898345 /nfs/dbraw/zinc/89/83/45/359898345.db2.gz YOJFEFDTTRQPNB-SNVBAGLBSA-N 1 2 228.299 1.823 20 30 BDEDLO C=C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309160470 491145703 /nfs/dbraw/zinc/14/57/03/491145703.db2.gz YTFWMNKBBDKTPO-ZETCQYMHSA-N 1 2 207.281 1.232 20 30 BDEDLO C=C[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309160470 491145704 /nfs/dbraw/zinc/14/57/04/491145704.db2.gz YTFWMNKBBDKTPO-ZETCQYMHSA-N 1 2 207.281 1.232 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000633648264 360049758 /nfs/dbraw/zinc/04/97/58/360049758.db2.gz CNVSUOCWONZSDY-SNVBAGLBSA-N 1 2 233.315 1.954 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915605 360750277 /nfs/dbraw/zinc/75/02/77/360750277.db2.gz SSDWBEBBCRQLAU-NWDGAFQWSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915605 360750280 /nfs/dbraw/zinc/75/02/80/360750280.db2.gz SSDWBEBBCRQLAU-NWDGAFQWSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[N@@H+](C)Cc1ncc(COC)s1 ZINC000428387365 201012502 /nfs/dbraw/zinc/01/25/02/201012502.db2.gz TYQBFOVNNJBUMU-UHFFFAOYSA-N 1 2 212.318 1.907 20 30 BDEDLO C=CC[N@H+](C)Cc1ncc(COC)s1 ZINC000428387365 201012503 /nfs/dbraw/zinc/01/25/03/201012503.db2.gz TYQBFOVNNJBUMU-UHFFFAOYSA-N 1 2 212.318 1.907 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COCC(C)C ZINC000428853267 201044709 /nfs/dbraw/zinc/04/47/09/201044709.db2.gz WLJGBPNXVWMHLP-CYBMUJFWSA-N 1 2 240.347 1.422 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COCC(C)C ZINC000428853267 201044710 /nfs/dbraw/zinc/04/47/10/201044710.db2.gz WLJGBPNXVWMHLP-CYBMUJFWSA-N 1 2 240.347 1.422 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)NC1CCCC1 ZINC000428845643 201045293 /nfs/dbraw/zinc/04/52/93/201045293.db2.gz LZGCHQPFJFWLBQ-UHFFFAOYSA-N 1 2 249.358 1.837 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)NC1CCCC1 ZINC000428845643 201045295 /nfs/dbraw/zinc/04/52/95/201045295.db2.gz LZGCHQPFJFWLBQ-UHFFFAOYSA-N 1 2 249.358 1.837 20 30 BDEDLO C[C@@H]([NH2+]CCC#N)C(=O)N1CCCC[C@@H]1C ZINC000579344688 366763225 /nfs/dbraw/zinc/76/32/25/366763225.db2.gz HFIKFRWXCSBQIW-WDEREUQCSA-N 1 2 223.320 1.279 20 30 BDEDLO C=CCCC[C@@H](C)[N@@H+]1CCc2n[nH]nc2C1 ZINC000429298983 201098139 /nfs/dbraw/zinc/09/81/39/201098139.db2.gz XMICDBVLVTVWAE-SNVBAGLBSA-N 1 2 220.320 1.908 20 30 BDEDLO C=CCCC[C@@H](C)[N@H+]1CCc2n[nH]nc2C1 ZINC000429298983 201098143 /nfs/dbraw/zinc/09/81/43/201098143.db2.gz XMICDBVLVTVWAE-SNVBAGLBSA-N 1 2 220.320 1.908 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(=O)OC ZINC000430081172 201141854 /nfs/dbraw/zinc/14/18/54/201141854.db2.gz WEFYXBNNXBMEIN-KXNHARMFSA-N 1 2 241.331 1.365 20 30 BDEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)on1 ZINC000433309387 201178505 /nfs/dbraw/zinc/17/85/05/201178505.db2.gz ZCXMMAZZLWECIA-UHFFFAOYSA-N 1 2 207.277 1.965 20 30 BDEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)on1 ZINC000433309387 201178509 /nfs/dbraw/zinc/17/85/09/201178509.db2.gz ZCXMMAZZLWECIA-UHFFFAOYSA-N 1 2 207.277 1.965 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433296132 201176840 /nfs/dbraw/zinc/17/68/40/201176840.db2.gz RMQCEVADXQPDJG-LLVKDONJSA-N 1 2 239.363 1.725 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433296132 201176843 /nfs/dbraw/zinc/17/68/43/201176843.db2.gz RMQCEVADXQPDJG-LLVKDONJSA-N 1 2 239.363 1.725 20 30 BDEDLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433316961 201178295 /nfs/dbraw/zinc/17/82/95/201178295.db2.gz HKHITRTWENWMFP-LLVKDONJSA-N 1 2 239.363 1.629 20 30 BDEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433316961 201178299 /nfs/dbraw/zinc/17/82/99/201178299.db2.gz HKHITRTWENWMFP-LLVKDONJSA-N 1 2 239.363 1.629 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434293018 201213096 /nfs/dbraw/zinc/21/30/96/201213096.db2.gz CSGWBSIZWDYYKV-SECBINFHSA-N 1 2 232.287 1.275 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434293018 201213099 /nfs/dbraw/zinc/21/30/99/201213099.db2.gz CSGWBSIZWDYYKV-SECBINFHSA-N 1 2 232.287 1.275 20 30 BDEDLO C=C1CC(C)(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000630549271 364242420 /nfs/dbraw/zinc/24/24/20/364242420.db2.gz JQVXISSGRSSQIO-UHFFFAOYSA-N 1 2 233.315 1.735 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H]2CC[C@@H](C)C2)nn1 ZINC000630603099 364324790 /nfs/dbraw/zinc/32/47/90/364324790.db2.gz KEXIYRWSWCRDTG-YPMHNXCESA-N 1 2 232.331 1.752 20 30 BDEDLO C=CCOCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000574174785 365003687 /nfs/dbraw/zinc/00/36/87/365003687.db2.gz KOJRXTMRLMOXLE-SNVBAGLBSA-N 1 2 223.276 1.409 20 30 BDEDLO C=CCOCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000574174785 365003689 /nfs/dbraw/zinc/00/36/89/365003689.db2.gz KOJRXTMRLMOXLE-SNVBAGLBSA-N 1 2 223.276 1.409 20 30 BDEDLO C=CC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000575931745 365420786 /nfs/dbraw/zinc/42/07/86/365420786.db2.gz OHWDDENBADNEJE-UHFFFAOYSA-N 1 2 244.294 1.963 20 30 BDEDLO C=CC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000575931745 365420789 /nfs/dbraw/zinc/42/07/89/365420789.db2.gz OHWDDENBADNEJE-UHFFFAOYSA-N 1 2 244.294 1.963 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC000575878397 365402126 /nfs/dbraw/zinc/40/21/26/365402126.db2.gz JXQPYEDSRIITJB-CQSZACIVSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC000575878397 365402133 /nfs/dbraw/zinc/40/21/33/365402133.db2.gz JXQPYEDSRIITJB-CQSZACIVSA-N 1 2 243.310 1.564 20 30 BDEDLO Cc1ccc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000360988412 366936372 /nfs/dbraw/zinc/93/63/72/366936372.db2.gz YUEJFVUJDKAQHP-UHFFFAOYSA-N 1 2 230.315 1.031 20 30 BDEDLO C[C@@H](C#N)CNCc1[nH+]ccn1CC(F)(F)F ZINC000183834840 367051679 /nfs/dbraw/zinc/05/16/79/367051679.db2.gz OHNPUIOPSWMBAN-QMMMGPOBSA-N 1 2 246.236 1.695 20 30 BDEDLO Cn1cc(C[NH2+]CCC#N)c(C(F)(F)F)n1 ZINC000581246204 367308203 /nfs/dbraw/zinc/30/82/03/367308203.db2.gz LOPDWCYYWXIBSE-UHFFFAOYSA-N 1 2 232.209 1.442 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ncc(C#N)cn2)C[C@H](C)S1 ZINC000581419349 367461813 /nfs/dbraw/zinc/46/18/13/367461813.db2.gz KEMIPJWAUKFTRJ-AOOOYVTPSA-N 1 2 248.355 1.674 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ncc(C#N)cn2)C[C@H](C)S1 ZINC000581419349 367461817 /nfs/dbraw/zinc/46/18/17/367461817.db2.gz KEMIPJWAUKFTRJ-AOOOYVTPSA-N 1 2 248.355 1.674 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ncccc1O ZINC000581515599 367533306 /nfs/dbraw/zinc/53/33/06/367533306.db2.gz YJVIREOCUMPKRJ-VIFPVBQESA-N 1 2 205.261 1.379 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ncccc1O ZINC000581515599 367533311 /nfs/dbraw/zinc/53/33/11/367533311.db2.gz YJVIREOCUMPKRJ-VIFPVBQESA-N 1 2 205.261 1.379 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000069036542 370876825 /nfs/dbraw/zinc/87/68/25/370876825.db2.gz OZFULRVUOLIDRC-WCQYABFASA-N 1 2 243.310 1.684 20 30 BDEDLO COC(=O)CCC/[NH+]=C/c1cccc(O)c1O ZINC000022729043 367984792 /nfs/dbraw/zinc/98/47/92/367984792.db2.gz KQULCUYKJDZWQA-MDWZMJQESA-N 1 2 237.255 1.470 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615742263 368231456 /nfs/dbraw/zinc/23/14/56/368231456.db2.gz STQOKRWQXIPFGC-MFKMUULPSA-N 1 2 246.314 1.254 20 30 BDEDLO COC(=O)C[C@@H](C)/[NH+]=C/c1ccccc1O ZINC000072857083 368782905 /nfs/dbraw/zinc/78/29/05/368782905.db2.gz FKYBWLODJWRULA-TVNQGELYSA-N 1 2 221.256 1.763 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457856285 203113112 /nfs/dbraw/zinc/11/31/12/203113112.db2.gz LRMQDWZFHQQFEH-ZDUSSCGKSA-N 1 2 235.331 1.681 20 30 BDEDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000459453849 203283727 /nfs/dbraw/zinc/28/37/27/203283727.db2.gz CRNVOAUINMEEOA-DCAQKATOSA-N 1 2 246.314 1.834 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCCc1c[nH+]cn1C ZINC000401768709 369371212 /nfs/dbraw/zinc/37/12/12/369371212.db2.gz ZYBLEXDXHKSBPJ-GFCCVEGCSA-N 1 2 234.303 1.019 20 30 BDEDLO Cc1cc(N2CCC(C)(CO)CC2)c(C#N)c[nH+]1 ZINC000401886041 369373130 /nfs/dbraw/zinc/37/31/30/369373130.db2.gz KOFKHSQABABOOR-UHFFFAOYSA-N 1 2 245.326 1.861 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)OC ZINC000403766387 369410490 /nfs/dbraw/zinc/41/04/90/369410490.db2.gz BOVOGHXDMMLKOF-DBIOUOCHSA-N 1 2 209.289 1.492 20 30 BDEDLO CC1(C#N)CN(CCCn2cc[nH+]c2)C1 ZINC000619569496 369482707 /nfs/dbraw/zinc/48/27/07/369482707.db2.gz XYLJXOKXQXGYHM-UHFFFAOYSA-N 1 2 204.277 1.119 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000619512384 369455278 /nfs/dbraw/zinc/45/52/78/369455278.db2.gz XCECRPCIUUHZLD-LLVKDONJSA-N 1 2 246.310 1.860 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000619512384 369455283 /nfs/dbraw/zinc/45/52/83/369455283.db2.gz XCECRPCIUUHZLD-LLVKDONJSA-N 1 2 246.310 1.860 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)CC(=O)OC(C)(C)C ZINC000619532199 369464699 /nfs/dbraw/zinc/46/46/99/369464699.db2.gz OYHUVERIKKTYHL-JTQLQIEISA-N 1 2 229.320 1.197 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000619532199 369464702 /nfs/dbraw/zinc/46/47/02/369464702.db2.gz OYHUVERIKKTYHL-JTQLQIEISA-N 1 2 229.320 1.197 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C)C(=O)OC ZINC000619703792 369536794 /nfs/dbraw/zinc/53/67/94/369536794.db2.gz SLOMWTFHAMMFRD-YTWAJWBKSA-N 1 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XLHABOCOUVLYSW-GHMZBOCLSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H](C)CO1 ZINC000602445875 369788609 /nfs/dbraw/zinc/78/86/09/369788609.db2.gz XLHABOCOUVLYSW-GHMZBOCLSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602468551 369790940 /nfs/dbraw/zinc/79/09/40/369790940.db2.gz MPFBKGLMUOEION-MNOVXSKESA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602468551 369790944 /nfs/dbraw/zinc/79/09/44/369790944.db2.gz MPFBKGLMUOEION-MNOVXSKESA-N 1 2 231.299 1.562 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000623705876 369999113 /nfs/dbraw/zinc/99/91/13/369999113.db2.gz ZJRMKVQLKAHODN-LBPRGKRZSA-N 1 2 248.330 1.491 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568531170 326363897 /nfs/dbraw/zinc/36/38/97/326363897.db2.gz WUDHRUZELXPVDC-RKDXNWHRSA-N 1 2 220.276 1.007 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568531170 326363898 /nfs/dbraw/zinc/36/38/98/326363898.db2.gz WUDHRUZELXPVDC-RKDXNWHRSA-N 1 2 220.276 1.007 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)OC ZINC000302316673 371570220 /nfs/dbraw/zinc/57/02/20/371570220.db2.gz GMRXDBYKBDKQFX-KBPBESRZSA-N 1 2 245.322 1.861 20 30 BDEDLO COC(=O)[C@H]([NH2+]CCCC#N)C(C)(C)C ZINC000164653133 372179163 /nfs/dbraw/zinc/17/91/63/372179163.db2.gz ZNDGRQULBKVTMJ-VIFPVBQESA-N 1 2 212.293 1.467 20 30 BDEDLO Cc1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(C#N)c[nH+]1 ZINC000425265079 206021483 /nfs/dbraw/zinc/02/14/83/206021483.db2.gz YQMJUSPYPIIYHP-PTEHBNRSSA-N 1 2 213.284 1.894 20 30 BDEDLO C[N@H+](CCCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459426225 206125965 /nfs/dbraw/zinc/12/59/65/206125965.db2.gz DBLCDEOSSRISBN-UHFFFAOYSA-N 1 2 249.270 1.281 20 30 BDEDLO C[N@@H+](CCCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459426225 206125970 /nfs/dbraw/zinc/12/59/70/206125970.db2.gz DBLCDEOSSRISBN-UHFFFAOYSA-N 1 2 249.270 1.281 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000459492015 206131340 /nfs/dbraw/zinc/13/13/40/206131340.db2.gz NFRYZJLWRNCLPU-UHFFFAOYSA-N 1 2 238.722 1.938 20 30 BDEDLO C=CC[N@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000459492015 206131344 /nfs/dbraw/zinc/13/13/44/206131344.db2.gz NFRYZJLWRNCLPU-UHFFFAOYSA-N 1 2 238.722 1.938 20 30 BDEDLO N#Cc1ccc2[nH+]cc(CNCC(F)F)n2c1 ZINC000459544866 206134213 /nfs/dbraw/zinc/13/42/13/206134213.db2.gz KKPDSZWSYGYUKL-UHFFFAOYSA-N 1 2 236.225 1.561 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332339527 383883104 /nfs/dbraw/zinc/88/31/04/383883104.db2.gz DQEUJJDSFYDBBI-ZWNOBZJWSA-N 1 2 249.314 1.400 20 30 BDEDLO Cn1cnnc1C[NH+]1CCC(CCC#N)CC1 ZINC000518526338 383981226 /nfs/dbraw/zinc/98/12/26/383981226.db2.gz XRZSNJXFLQKMRX-UHFFFAOYSA-N 1 2 233.319 1.331 20 30 BDEDLO N#Cc1ccsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000334777218 383951680 /nfs/dbraw/zinc/95/16/80/383951680.db2.gz DIZKSQFAGNFLOH-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO N#Cc1ccsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000334777218 383951689 /nfs/dbraw/zinc/95/16/89/383951689.db2.gz DIZKSQFAGNFLOH-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO N#CCC[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000569449007 384049854 /nfs/dbraw/zinc/04/98/54/384049854.db2.gz DQIUONUCUPYGSX-LBPRGKRZSA-N 1 2 244.298 1.080 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(CO)o1 ZINC000081556157 384185421 /nfs/dbraw/zinc/18/54/21/384185421.db2.gz OSVOZXQKWKDPSZ-SECBINFHSA-N 1 2 208.261 1.554 20 30 BDEDLO COCc1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000092936096 384198939 /nfs/dbraw/zinc/19/89/39/384198939.db2.gz KLWAQRKUHFBRRW-UHFFFAOYSA-N 1 2 249.314 1.067 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(C#N)s1 ZINC000336605203 384240053 /nfs/dbraw/zinc/24/00/53/384240053.db2.gz GUQGUCBTQBQRRL-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO C#CCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000360990919 533047899 /nfs/dbraw/zinc/04/78/99/533047899.db2.gz SDELGFQOEDKDIN-SNVBAGLBSA-N 1 2 204.277 1.355 20 30 BDEDLO C#CCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000360990919 533047902 /nfs/dbraw/zinc/04/79/02/533047902.db2.gz SDELGFQOEDKDIN-SNVBAGLBSA-N 1 2 204.277 1.355 20 30 BDEDLO CC[C@H]1CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336418887 384223820 /nfs/dbraw/zinc/22/38/20/384223820.db2.gz JVLWEYRUXBGUOO-VIFPVBQESA-N 1 2 207.302 1.999 20 30 BDEDLO CC[C@H]1CC[N@H+]1Cc1nc(C#N)cs1 ZINC000336418887 384223824 /nfs/dbraw/zinc/22/38/24/384223824.db2.gz JVLWEYRUXBGUOO-VIFPVBQESA-N 1 2 207.302 1.999 20 30 BDEDLO Cn1c[nH+]cc1CNc1cccnc1C#N ZINC000336662283 384243931 /nfs/dbraw/zinc/24/39/31/384243931.db2.gz DEHYISPKFVTUHF-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO Cn1cc[nH+]c1CN1CCc2c1cccc2C#N ZINC000335438836 384290493 /nfs/dbraw/zinc/29/04/93/384290493.db2.gz XHYWISKQZJKFLM-UHFFFAOYSA-N 1 2 238.294 1.854 20 30 BDEDLO Cc1cc(N[C@H]2CCCSC2)c(C#N)c[nH+]1 ZINC000335510913 384296320 /nfs/dbraw/zinc/29/63/20/384296320.db2.gz MXANKWCQMYAKJL-NSHDSACASA-N 1 2 233.340 1.991 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)c1cccc(C#N)c1 ZINC000335757630 384371127 /nfs/dbraw/zinc/37/11/27/384371127.db2.gz 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ZQKDVJOBZIAQMN-NSHDSACASA-N 1 2 242.286 1.881 20 30 BDEDLO CN(C)C(=O)c1cccc(C[N@H+](C)CCC#N)c1 ZINC000083217251 384752115 /nfs/dbraw/zinc/75/21/15/384752115.db2.gz PLWRUEIJDCHGMG-UHFFFAOYSA-N 1 2 245.326 1.734 20 30 BDEDLO CN(C)C(=O)c1cccc(C[N@@H+](C)CCC#N)c1 ZINC000083217251 384752121 /nfs/dbraw/zinc/75/21/21/384752121.db2.gz PLWRUEIJDCHGMG-UHFFFAOYSA-N 1 2 245.326 1.734 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+](CCCC#N)C1CC1 ZINC000190814276 384817874 /nfs/dbraw/zinc/81/78/74/384817874.db2.gz XABGPLAYIBOVLT-JTQLQIEISA-N 1 2 224.304 1.706 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+](CCCC#N)C1CC1 ZINC000190814276 384817880 /nfs/dbraw/zinc/81/78/80/384817880.db2.gz XABGPLAYIBOVLT-JTQLQIEISA-N 1 2 224.304 1.706 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)CCn1cc(Cl)cn1 ZINC000312887520 384843413 /nfs/dbraw/zinc/84/34/13/384843413.db2.gz FGFSMJANMLEXHP-VIFPVBQESA-N 1 2 226.711 1.628 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)CCn1cc(Cl)cn1 ZINC000312887520 384843421 /nfs/dbraw/zinc/84/34/21/384843421.db2.gz FGFSMJANMLEXHP-VIFPVBQESA-N 1 2 226.711 1.628 20 30 BDEDLO CC[C@@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000336672802 384852033 /nfs/dbraw/zinc/85/20/33/384852033.db2.gz GNXKZAZYQNCCJR-SECBINFHSA-N 1 2 210.277 1.221 20 30 BDEDLO C=C(C)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000156410020 384860972 /nfs/dbraw/zinc/86/09/72/384860972.db2.gz NZPKBOURWKDVAD-UHFFFAOYSA-N 1 2 248.330 1.759 20 30 BDEDLO C=CC[NH+](CC=C)[C@@H](C)c1nncn1C ZINC000297793056 384917915 /nfs/dbraw/zinc/91/79/15/384917915.db2.gz HJRGHWHWGDBCDW-JTQLQIEISA-N 1 2 206.293 1.550 20 30 BDEDLO CC[N@H+](CCC#N)Cc1nc(C)ccc1O ZINC000127603074 384923322 /nfs/dbraw/zinc/92/33/22/384923322.db2.gz PRFWUCGUQUDGHF-UHFFFAOYSA-N 1 2 219.288 1.831 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1nc(C)ccc1O ZINC000127603074 384923332 /nfs/dbraw/zinc/92/33/32/384923332.db2.gz PRFWUCGUQUDGHF-UHFFFAOYSA-N 1 2 219.288 1.831 20 30 BDEDLO C=CCOC[C@@H]([NH2+]C[C@@H](C)CC)C(=O)OC ZINC000309993782 385007899 /nfs/dbraw/zinc/00/78/99/385007899.db2.gz BRXURKHDCNFMJN-WDEREUQCSA-N 1 2 229.320 1.366 20 30 BDEDLO C=CCOC[C@H]([NH2+]C[C@H](C)CC)C(=O)OC ZINC000309993780 385009718 /nfs/dbraw/zinc/00/97/18/385009718.db2.gz BRXURKHDCNFMJN-MNOVXSKESA-N 1 2 229.320 1.366 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CC1 ZINC000516661123 385055681 /nfs/dbraw/zinc/05/56/81/385055681.db2.gz HYHXUPCWTBKDNS-SECBINFHSA-N 1 2 232.287 1.008 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CC1 ZINC000516661123 385055689 /nfs/dbraw/zinc/05/56/89/385055689.db2.gz HYHXUPCWTBKDNS-SECBINFHSA-N 1 2 232.287 1.008 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](CC)C(N)=O ZINC000298053742 385075432 /nfs/dbraw/zinc/07/54/32/385075432.db2.gz IAQVODVSHFWFCB-CYBMUJFWSA-N 1 2 248.301 1.525 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](CC)C(N)=O ZINC000298053742 385075441 /nfs/dbraw/zinc/07/54/41/385075441.db2.gz IAQVODVSHFWFCB-CYBMUJFWSA-N 1 2 248.301 1.525 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000491542773 385123766 /nfs/dbraw/zinc/12/37/66/385123766.db2.gz BWXGMONAUWHEAU-STQMWFEESA-N 1 2 248.370 1.874 20 30 BDEDLO C#CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000491542773 385123771 /nfs/dbraw/zinc/12/37/71/385123771.db2.gz BWXGMONAUWHEAU-STQMWFEESA-N 1 2 248.370 1.874 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000491542772 385125213 /nfs/dbraw/zinc/12/52/13/385125213.db2.gz BWXGMONAUWHEAU-CHWSQXEVSA-N 1 2 248.370 1.874 20 30 BDEDLO C#CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000491542772 385125216 /nfs/dbraw/zinc/12/52/16/385125216.db2.gz BWXGMONAUWHEAU-CHWSQXEVSA-N 1 2 248.370 1.874 20 30 BDEDLO Cc1c(C[N@@H+](C)[C@@H](C)CC#N)cnn1C ZINC000151852590 385133896 /nfs/dbraw/zinc/13/38/96/385133896.db2.gz AHWMZOBPFYRBHJ-VIFPVBQESA-N 1 2 206.293 1.463 20 30 BDEDLO Cc1c(C[N@H+](C)[C@@H](C)CC#N)cnn1C ZINC000151852590 385133903 /nfs/dbraw/zinc/13/39/03/385133903.db2.gz AHWMZOBPFYRBHJ-VIFPVBQESA-N 1 2 206.293 1.463 20 30 BDEDLO C=CCCOCCNc1nc[nH+]c(N)c1Cl ZINC000236361142 134443303 /nfs/dbraw/zinc/44/33/03/134443303.db2.gz 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DAHKQCZXQSXFHP-NSHDSACASA-N 1 2 237.328 1.302 20 30 BDEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592146591 385567939 /nfs/dbraw/zinc/56/79/39/385567939.db2.gz DAHKQCZXQSXFHP-NSHDSACASA-N 1 2 237.328 1.302 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@@H](CC)c1nccs1 ZINC000185053370 385716209 /nfs/dbraw/zinc/71/62/09/385716209.db2.gz ZBBTYGCVMFWKPO-VIFPVBQESA-N 1 2 239.344 1.486 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1ccc(C#N)nc1 ZINC000129233826 385739092 /nfs/dbraw/zinc/73/90/92/385739092.db2.gz URKLFOLDFUTHGG-UHFFFAOYSA-N 1 2 227.271 1.323 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(O)c1 ZINC000094680044 385725636 /nfs/dbraw/zinc/72/56/36/385725636.db2.gz FALFRCLNEKOPQD-JTQLQIEISA-N 1 2 204.273 1.984 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(O)c1 ZINC000094680044 385725645 /nfs/dbraw/zinc/72/56/45/385725645.db2.gz FALFRCLNEKOPQD-JTQLQIEISA-N 1 2 204.273 1.984 20 30 BDEDLO CCN(CC#N)Cc1cccc2[nH+]ccn21 ZINC000271739279 385848061 /nfs/dbraw/zinc/84/80/61/385848061.db2.gz PZBNWBKLIWTPDS-UHFFFAOYSA-N 1 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233.315 1.768 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000408420929 386566375 /nfs/dbraw/zinc/56/63/75/386566375.db2.gz BRENAIPJZHVZEC-QWRGUYRKSA-N 1 2 246.314 1.064 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@H]2C2CC2)c[nH+]1 ZINC000328879385 386642126 /nfs/dbraw/zinc/64/21/26/386642126.db2.gz LISLPZBBQFISFB-KOLCDFICSA-N 1 2 235.287 1.590 20 30 BDEDLO Cc1noc(C)c1CC[N@@H+](C)C[C@H](C)C#N ZINC000330363575 386675581 /nfs/dbraw/zinc/67/55/81/386675581.db2.gz KISBZBTVVGZMJX-SECBINFHSA-N 1 2 221.304 1.925 20 30 BDEDLO Cc1noc(C)c1CC[N@H+](C)C[C@H](C)C#N ZINC000330363575 386675586 /nfs/dbraw/zinc/67/55/86/386675586.db2.gz KISBZBTVVGZMJX-SECBINFHSA-N 1 2 221.304 1.925 20 30 BDEDLO N#CC1(CN2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000343249140 386691265 /nfs/dbraw/zinc/69/12/65/386691265.db2.gz LVMPHQOMTMNNBK-UHFFFAOYSA-N 1 2 245.326 1.701 20 30 BDEDLO CSC[C@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330513838 386745836 /nfs/dbraw/zinc/74/58/36/386745836.db2.gz UJYVIOIPCNPOJH-QMMMGPOBSA-N 1 2 243.332 1.137 20 30 BDEDLO Cc1cc(NC[C@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000399371776 386756803 /nfs/dbraw/zinc/75/68/03/386756803.db2.gz KUBXDUOARYKXEA-LLVKDONJSA-N 1 2 231.299 1.522 20 30 BDEDLO C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000335748702 386873670 /nfs/dbraw/zinc/87/36/70/386873670.db2.gz BNYQCRUZUFOBTF-MNOVXSKESA-N 1 2 232.287 1.206 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000330792829 386890102 /nfs/dbraw/zinc/89/01/02/386890102.db2.gz DQYQXFKXZMOMEC-NSHDSACASA-N 1 2 247.298 1.446 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000330792829 386890105 /nfs/dbraw/zinc/89/01/05/386890105.db2.gz DQYQXFKXZMOMEC-NSHDSACASA-N 1 2 247.298 1.446 20 30 BDEDLO C#CC[C@@H](C)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000372715096 533205301 /nfs/dbraw/zinc/20/53/01/533205301.db2.gz MMZANMDIVIOUBQ-MNOVXSKESA-N 1 2 231.299 1.289 20 30 BDEDLO CO[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000399518656 386954681 /nfs/dbraw/zinc/95/46/81/386954681.db2.gz PSNGZSSQHYMCRP-OLZOCXBDSA-N 1 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COC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000293631729 387544750 /nfs/dbraw/zinc/54/47/50/387544750.db2.gz RBPCTTGZECGOED-LBPRGKRZSA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000293631729 387544755 /nfs/dbraw/zinc/54/47/55/387544755.db2.gz RBPCTTGZECGOED-LBPRGKRZSA-N 1 2 234.274 1.918 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000274033403 387464544 /nfs/dbraw/zinc/46/45/44/387464544.db2.gz DQAJOPWUSFWVOT-UHFFFAOYSA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000274033403 387464547 /nfs/dbraw/zinc/46/45/47/387464547.db2.gz DQAJOPWUSFWVOT-UHFFFAOYSA-N 1 2 209.289 1.426 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000527239991 387547544 /nfs/dbraw/zinc/54/75/44/387547544.db2.gz RICQHIWNHHHAHR-LLVKDONJSA-N 1 2 220.276 1.151 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000527239991 387547548 /nfs/dbraw/zinc/54/75/48/387547548.db2.gz RICQHIWNHHHAHR-LLVKDONJSA-N 1 2 220.276 1.151 20 30 BDEDLO C=C(C)CN(CC)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278456453 387552710 /nfs/dbraw/zinc/55/27/10/387552710.db2.gz SFIPAVBCTMYTII-UHFFFAOYSA-N 1 2 246.318 1.348 20 30 BDEDLO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000424115613 387558324 /nfs/dbraw/zinc/55/83/24/387558324.db2.gz APNCFKCAFNXCQQ-IVZWLZJFSA-N 1 2 210.277 1.220 20 30 BDEDLO C=CCSCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279260696 387564079 /nfs/dbraw/zinc/56/40/79/387564079.db2.gz UWWXCMGSRHPDTA-UHFFFAOYSA-N 1 2 239.344 1.378 20 30 BDEDLO Cc1nnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000046518084 387751752 /nfs/dbraw/zinc/75/17/52/387751752.db2.gz BEJBIWVNVAUUPT-UHFFFAOYSA-N 1 2 242.282 1.882 20 30 BDEDLO Cc1nnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000046518084 387751760 /nfs/dbraw/zinc/75/17/60/387751760.db2.gz BEJBIWVNVAUUPT-UHFFFAOYSA-N 1 2 242.282 1.882 20 30 BDEDLO COc1cc(C[NH2+]Cc2cocn2)ccc1C#N ZINC000353206725 387758989 /nfs/dbraw/zinc/75/89/89/387758989.db2.gz GMTPBNZZCBKSIE-UHFFFAOYSA-N 1 2 243.266 1.845 20 30 BDEDLO C#CC[N@@H+](CC=C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108866152 388052464 /nfs/dbraw/zinc/05/24/64/388052464.db2.gz YTPXUCNXJUGSHI-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CC=C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108866152 388052466 /nfs/dbraw/zinc/05/24/66/388052466.db2.gz YTPXUCNXJUGSHI-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000448911524 388120186 /nfs/dbraw/zinc/12/01/86/388120186.db2.gz PJKPBFVHBBOYMD-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000448911524 388120187 /nfs/dbraw/zinc/12/01/87/388120187.db2.gz PJKPBFVHBBOYMD-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454674493 388129295 /nfs/dbraw/zinc/12/92/95/388129295.db2.gz ODEBXBKHFCPTSP-IVZWLZJFSA-N 1 2 234.303 1.763 20 30 BDEDLO C=C(C)CCNC(=O)NCc1c[nH+]ccc1OC ZINC000454991896 388144021 /nfs/dbraw/zinc/14/40/21/388144021.db2.gz QCRWNEWIURQQRV-UHFFFAOYSA-N 1 2 249.314 1.856 20 30 BDEDLO C=C(CC)CNC(=O)NCc1c[nH+]ccc1OC ZINC000454997241 388144214 /nfs/dbraw/zinc/14/42/14/388144214.db2.gz XLDVPPBOZOUJAZ-UHFFFAOYSA-N 1 2 249.314 1.856 20 30 BDEDLO CC[C@H](CNc1cc(C)[nH+]cc1C#N)C(=O)OC ZINC000591977322 388144519 /nfs/dbraw/zinc/14/45/19/388144519.db2.gz XKKCAZOXFRWCAD-SNVBAGLBSA-N 1 2 247.298 1.295 20 30 BDEDLO C[C@@H]1COCCC[N@@H+]1Cc1ccncc1C#N ZINC000592084853 388150634 /nfs/dbraw/zinc/15/06/34/388150634.db2.gz UULAQUROIFFNBW-LLVKDONJSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@@H]1COCCC[N@H+]1Cc1ccncc1C#N ZINC000592084853 388150636 /nfs/dbraw/zinc/15/06/36/388150636.db2.gz UULAQUROIFFNBW-LLVKDONJSA-N 1 2 231.299 1.564 20 30 BDEDLO C#CC[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000490924458 388260641 /nfs/dbraw/zinc/26/06/41/388260641.db2.gz PEZCQHRHTQPYSL-UHFFFAOYSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000490924458 388260642 /nfs/dbraw/zinc/26/06/42/388260642.db2.gz PEZCQHRHTQPYSL-UHFFFAOYSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](C)C(F)(F)F ZINC000490866809 388256988 /nfs/dbraw/zinc/25/69/88/388256988.db2.gz VJMKLUDYPZZDQZ-VIFPVBQESA-N 1 2 203.207 1.753 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](C)C(F)(F)F ZINC000490866808 388257106 /nfs/dbraw/zinc/25/71/06/388257106.db2.gz VJMKLUDYPZZDQZ-SECBINFHSA-N 1 2 203.207 1.753 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc2cnccn12 ZINC000490901232 388259727 /nfs/dbraw/zinc/25/97/27/388259727.db2.gz ZXPQJKWLCKEXII-UHFFFAOYSA-N 1 2 238.294 1.188 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc2cnccn12 ZINC000490901232 388259729 /nfs/dbraw/zinc/25/97/29/388259729.db2.gz ZXPQJKWLCKEXII-UHFFFAOYSA-N 1 2 238.294 1.188 20 30 BDEDLO COCC[N@H+](CC1(C#N)CC1)[C@@H]1CCOC1 ZINC000490098694 388234547 /nfs/dbraw/zinc/23/45/47/388234547.db2.gz UHAYIPVZEVFIGW-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO COCC[N@@H+](CC1(C#N)CC1)[C@@H]1CCOC1 ZINC000490098694 388234549 /nfs/dbraw/zinc/23/45/49/388234549.db2.gz UHAYIPVZEVFIGW-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491294948 388283624 /nfs/dbraw/zinc/28/36/24/388283624.db2.gz FDXLNJPDKXBARP-VIFPVBQESA-N 1 2 245.248 1.899 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491294948 388283625 /nfs/dbraw/zinc/28/36/25/388283625.db2.gz FDXLNJPDKXBARP-VIFPVBQESA-N 1 2 245.248 1.899 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCCCCC1 ZINC000491340120 388286976 /nfs/dbraw/zinc/28/69/76/388286976.db2.gz VQEGOQBBGYRJQY-CQSZACIVSA-N 1 2 246.354 1.346 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccc(F)cn1 ZINC000491359920 388287907 /nfs/dbraw/zinc/28/79/07/388287907.db2.gz BXNNBIUVGIVSIM-AWEZNQCLSA-N 1 2 246.285 1.213 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccc(F)cn1 ZINC000491359920 388287909 /nfs/dbraw/zinc/28/79/09/388287909.db2.gz BXNNBIUVGIVSIM-AWEZNQCLSA-N 1 2 246.285 1.213 20 30 BDEDLO C#CC[N@@H+](C)Cc1occc1C(=O)OC ZINC000491370767 388289097 /nfs/dbraw/zinc/28/90/97/388289097.db2.gz AUKHBPIDFRWILY-UHFFFAOYSA-N 1 2 207.229 1.131 20 30 BDEDLO C#CC[N@H+](C)Cc1occc1C(=O)OC ZINC000491370767 388289098 /nfs/dbraw/zinc/28/90/98/388289098.db2.gz AUKHBPIDFRWILY-UHFFFAOYSA-N 1 2 207.229 1.131 20 30 BDEDLO C#CCN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CCCC1 ZINC000491440946 388294657 /nfs/dbraw/zinc/29/46/57/388294657.db2.gz SCGVGROTTUIKOE-FPLPWBNLSA-N 1 2 243.310 1.827 20 30 BDEDLO C#C[C@H](CC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000491474052 388297319 /nfs/dbraw/zinc/29/73/19/388297319.db2.gz JSFJLGOQLWJUNY-GFCCVEGCSA-N 1 2 248.330 1.326 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(COC)n1 ZINC000491526511 388298642 /nfs/dbraw/zinc/29/86/42/388298642.db2.gz ZVTNWOOFAUKOMY-SECBINFHSA-N 1 2 224.329 1.743 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(COC)n1 ZINC000491526511 388298644 /nfs/dbraw/zinc/29/86/44/388298644.db2.gz ZVTNWOOFAUKOMY-SECBINFHSA-N 1 2 224.329 1.743 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000491496272 388298667 /nfs/dbraw/zinc/29/86/67/388298667.db2.gz PFVYVZFSWCTKEC-JTQLQIEISA-N 1 2 217.272 1.297 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000491504568 388299606 /nfs/dbraw/zinc/29/96/06/388299606.db2.gz IOSSLLFEECXGMS-LLVKDONJSA-N 1 2 241.294 1.450 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000491504568 388299609 /nfs/dbraw/zinc/29/96/09/388299609.db2.gz IOSSLLFEECXGMS-LLVKDONJSA-N 1 2 241.294 1.450 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000491652301 388308071 /nfs/dbraw/zinc/30/80/71/388308071.db2.gz ASGZPDVCRVZIKQ-AAEUAGOBSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000491652301 388308072 /nfs/dbraw/zinc/30/80/72/388308072.db2.gz ASGZPDVCRVZIKQ-AAEUAGOBSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](CC)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000491677247 388310187 /nfs/dbraw/zinc/31/01/87/388310187.db2.gz XXCPEUDMUDWILN-SECBINFHSA-N 1 2 225.723 1.883 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](CCC)CC1=O ZINC000491692512 388311585 /nfs/dbraw/zinc/31/15/85/388311585.db2.gz IOBHZEBOYIQGPR-VXGBXAGGSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](CCC)CC1=O ZINC000491692512 388311586 /nfs/dbraw/zinc/31/15/86/388311586.db2.gz IOBHZEBOYIQGPR-VXGBXAGGSA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000491715696 388314206 /nfs/dbraw/zinc/31/42/06/388314206.db2.gz QNONYKMPABFZPG-CHWSQXEVSA-N 1 2 223.316 1.280 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CC[C@H]1CCCCO1 ZINC000491715696 388314207 /nfs/dbraw/zinc/31/42/07/388314207.db2.gz QNONYKMPABFZPG-CHWSQXEVSA-N 1 2 223.316 1.280 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491728032 388315405 /nfs/dbraw/zinc/31/54/05/388315405.db2.gz HZKUEKFRPZZJMF-WDEREUQCSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491728032 388315406 /nfs/dbraw/zinc/31/54/06/388315406.db2.gz HZKUEKFRPZZJMF-WDEREUQCSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OCC)cc1 ZINC000491735663 388316156 /nfs/dbraw/zinc/31/61/56/388316156.db2.gz FZXVEGCNTWEIEW-AWEZNQCLSA-N 1 2 245.322 1.919 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OCC)cc1 ZINC000491735663 388316157 /nfs/dbraw/zinc/31/61/57/388316157.db2.gz FZXVEGCNTWEIEW-AWEZNQCLSA-N 1 2 245.322 1.919 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCC(C)C ZINC000491736195 388316407 /nfs/dbraw/zinc/31/64/07/388316407.db2.gz GKWPNRGBFJQWIN-CYBMUJFWSA-N 1 2 234.343 1.106 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1snnc1C ZINC000491738091 388316599 /nfs/dbraw/zinc/31/65/99/388316599.db2.gz MKPSKMCFGQYREZ-UHFFFAOYSA-N 1 2 209.318 1.690 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1snnc1C ZINC000491738091 388316600 /nfs/dbraw/zinc/31/66/00/388316600.db2.gz MKPSKMCFGQYREZ-UHFFFAOYSA-N 1 2 209.318 1.690 20 30 BDEDLO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000491752293 388317820 /nfs/dbraw/zinc/31/78/20/388317820.db2.gz WDYACOBNYXADLM-KGLIPLIRSA-N 1 2 233.286 1.420 20 30 BDEDLO C#CC[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000491752293 388317821 /nfs/dbraw/zinc/31/78/21/388317821.db2.gz WDYACOBNYXADLM-KGLIPLIRSA-N 1 2 233.286 1.420 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491788482 388321179 /nfs/dbraw/zinc/32/11/79/388321179.db2.gz XLVWRORSDYWHAA-UHFFFAOYSA-N 1 2 234.255 1.668 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491788482 388321180 /nfs/dbraw/zinc/32/11/80/388321180.db2.gz XLVWRORSDYWHAA-UHFFFAOYSA-N 1 2 234.255 1.668 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C)OC)Cc1ccccc1 ZINC000491128149 388271584 /nfs/dbraw/zinc/27/15/84/388271584.db2.gz ZFCZXVKFPGCESR-UHFFFAOYSA-N 1 2 246.310 1.142 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C)OC)Cc1ccccc1 ZINC000491128149 388271586 /nfs/dbraw/zinc/27/15/86/388271586.db2.gz ZFCZXVKFPGCESR-UHFFFAOYSA-N 1 2 246.310 1.142 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N(CC#N)C1CC1 ZINC000492405881 388343719 /nfs/dbraw/zinc/34/37/19/388343719.db2.gz DWIMYNPIWAHAPL-WAYWQWQTSA-N 1 2 244.298 1.431 20 30 BDEDLO C#C[C@@H](CCC)Nc1[nH+]cnc2c1cnn2C ZINC000233297503 388345615 /nfs/dbraw/zinc/34/56/15/388345615.db2.gz ADKRWIFTMYJLAH-VIFPVBQESA-N 1 2 229.287 1.577 20 30 BDEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)cn2)c2[nH+]ccn21 ZINC000556235502 388352422 /nfs/dbraw/zinc/35/24/22/388352422.db2.gz KWKHAJHNNPLJLG-KOLCDFICSA-N 1 2 239.282 1.690 20 30 BDEDLO Cn1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000271061297 388371184 /nfs/dbraw/zinc/37/11/84/388371184.db2.gz XGZUQMQXPWVCPX-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO Cn1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000271061297 388371186 /nfs/dbraw/zinc/37/11/86/388371186.db2.gz XGZUQMQXPWVCPX-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO Cc1cc(NC(=O)N[C@@H](C)CC#N)c(C)c[nH+]1 ZINC000547833493 388490444 /nfs/dbraw/zinc/49/04/44/388490444.db2.gz WTDVUZROWFZQRX-VIFPVBQESA-N 1 2 232.287 1.544 20 30 BDEDLO N#CCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000516630260 256798563 /nfs/dbraw/zinc/79/85/63/256798563.db2.gz SBFHBVHVFMYOET-UHFFFAOYSA-N 1 2 230.267 1.908 20 30 BDEDLO CC#CC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245755539 388603589 /nfs/dbraw/zinc/60/35/89/388603589.db2.gz YHTWCLHLFSYDDI-JTQLQIEISA-N 1 2 234.265 1.578 20 30 BDEDLO CC#CC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245755539 388603590 /nfs/dbraw/zinc/60/35/90/388603590.db2.gz YHTWCLHLFSYDDI-JTQLQIEISA-N 1 2 234.265 1.578 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccn(C)n1 ZINC000520424930 388668026 /nfs/dbraw/zinc/66/80/26/388668026.db2.gz GDKUVBQQTQUKCF-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000192226910 388677457 /nfs/dbraw/zinc/67/74/57/388677457.db2.gz BCMHHRFPQUADIM-ZDUSSCGKSA-N 1 2 238.375 1.882 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000192226910 388677459 /nfs/dbraw/zinc/67/74/59/388677459.db2.gz BCMHHRFPQUADIM-ZDUSSCGKSA-N 1 2 238.375 1.882 20 30 BDEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccon1 ZINC000359705607 388631296 /nfs/dbraw/zinc/63/12/96/388631296.db2.gz JGWDOMVSTYTDQO-VIFPVBQESA-N 1 2 230.271 1.736 20 30 BDEDLO C#CCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000191029400 388658980 /nfs/dbraw/zinc/65/89/80/388658980.db2.gz KEDJKVPQLXHTOO-UHFFFAOYSA-N 1 2 213.240 1.040 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCCCNC1=O ZINC000123884195 388736659 /nfs/dbraw/zinc/73/66/59/388736659.db2.gz CGKIFFOTCRFJQC-GFCCVEGCSA-N 1 2 247.298 1.252 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCCCNC1=O ZINC000123884195 388736661 /nfs/dbraw/zinc/73/66/61/388736661.db2.gz CGKIFFOTCRFJQC-GFCCVEGCSA-N 1 2 247.298 1.252 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1C#N ZINC000276802519 388741106 /nfs/dbraw/zinc/74/11/06/388741106.db2.gz WAHSJRPGTDMABB-KGLIPLIRSA-N 1 2 245.326 1.650 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1C#N ZINC000276802519 388741110 /nfs/dbraw/zinc/74/11/10/388741110.db2.gz WAHSJRPGTDMABB-KGLIPLIRSA-N 1 2 245.326 1.650 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000126120379 388688994 /nfs/dbraw/zinc/68/89/94/388688994.db2.gz KKZWFGFRAYYMJU-LLVKDONJSA-N 1 2 234.299 1.158 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000126120379 388688996 /nfs/dbraw/zinc/68/89/96/388688996.db2.gz KKZWFGFRAYYMJU-LLVKDONJSA-N 1 2 234.299 1.158 20 30 BDEDLO COC(=O)C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000079845819 388699360 /nfs/dbraw/zinc/69/93/60/388699360.db2.gz TZTRQTJWADGMQU-UHFFFAOYSA-N 1 2 248.282 1.042 20 30 BDEDLO COC(=O)C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000079845819 388699362 /nfs/dbraw/zinc/69/93/62/388699362.db2.gz TZTRQTJWADGMQU-UHFFFAOYSA-N 1 2 248.282 1.042 20 30 BDEDLO Cc1cc(N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(C#N)c[nH+]1 ZINC000528206289 388705123 /nfs/dbraw/zinc/70/51/23/388705123.db2.gz OBGXOGPDCUBMTC-MIJXAVMKSA-N 1 2 245.326 1.907 20 30 BDEDLO CC[C@@H](C#N)SCC[NH+]1CCOCC1 ZINC000127407668 388722619 /nfs/dbraw/zinc/72/26/19/388722619.db2.gz FXAOZYDRDYHNLV-JTQLQIEISA-N 1 2 214.334 1.354 20 30 BDEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C#N)o1)CC2 ZINC000378638363 388728160 /nfs/dbraw/zinc/72/81/60/388728160.db2.gz QWNGDVZKUXPCTE-UHFFFAOYSA-N 1 2 242.282 1.672 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000539424411 388758819 /nfs/dbraw/zinc/75/88/19/388758819.db2.gz LIOZWAATVPSWPE-QMMMGPOBSA-N 1 2 230.271 1.002 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CC1 ZINC000539424411 388758825 /nfs/dbraw/zinc/75/88/25/388758825.db2.gz LIOZWAATVPSWPE-QMMMGPOBSA-N 1 2 230.271 1.002 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ncon2)C1 ZINC000555335199 388847059 /nfs/dbraw/zinc/84/70/59/388847059.db2.gz AYWOZTBCPWMGBX-GMTAPVOTSA-N 1 2 232.287 1.899 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ncon2)C1 ZINC000555335199 388847060 /nfs/dbraw/zinc/84/70/60/388847060.db2.gz AYWOZTBCPWMGBX-GMTAPVOTSA-N 1 2 232.287 1.899 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCCC1 ZINC000565809715 388970161 /nfs/dbraw/zinc/97/01/61/388970161.db2.gz IXLHRSUPXCKEDK-GFCCVEGCSA-N 1 2 223.320 1.137 20 30 BDEDLO Cc1nnc(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC000565986949 388982166 /nfs/dbraw/zinc/98/21/66/388982166.db2.gz BKISLOXUOSROHP-UHFFFAOYSA-N 1 2 219.292 1.239 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355802451 533506125 /nfs/dbraw/zinc/50/61/25/533506125.db2.gz POHYDFBZFLUVJO-UHFFFAOYSA-N 1 2 238.291 1.726 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355802451 533506130 /nfs/dbraw/zinc/50/61/30/533506130.db2.gz POHYDFBZFLUVJO-UHFFFAOYSA-N 1 2 238.291 1.726 20 30 BDEDLO C=C(C)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336532500 533514893 /nfs/dbraw/zinc/51/48/93/533514893.db2.gz SBDRJRXFVPVKFD-VIFPVBQESA-N 1 2 234.303 1.142 20 30 BDEDLO C=C(C)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336532500 533514897 /nfs/dbraw/zinc/51/48/97/533514897.db2.gz SBDRJRXFVPVKFD-VIFPVBQESA-N 1 2 234.303 1.142 20 30 BDEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](C)CC2)c1 ZINC000302050518 132259815 /nfs/dbraw/zinc/25/98/15/132259815.db2.gz WZAWRSMDYHDNDE-UHFFFAOYSA-N 1 2 243.310 1.513 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1ccncc1C#N)CC2 ZINC000375382877 132288146 /nfs/dbraw/zinc/28/81/46/132288146.db2.gz YKXRKMVLDOZSKT-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO CC(C)(C)n1cc(C[NH2+]CCC#N)cn1 ZINC000037240375 133459071 /nfs/dbraw/zinc/45/90/71/133459071.db2.gz CCTYTRXVGYKALQ-UHFFFAOYSA-N 1 2 206.293 1.641 20 30 BDEDLO Cc1[nH]c(C(=O)NCc2cccc(C#N)c2)c[nH+]1 ZINC000335930176 134010614 /nfs/dbraw/zinc/01/06/14/134010614.db2.gz PXFCATZKNGQPTA-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336384075 134145798 /nfs/dbraw/zinc/14/57/98/134145798.db2.gz IAPCSSNJIVQPJV-WDEREUQCSA-N 1 2 246.314 1.064 20 30 BDEDLO C#CCCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302869087 134158040 /nfs/dbraw/zinc/15/80/40/134158040.db2.gz ARQQDARHAKQHLB-UHFFFAOYSA-N 1 2 244.302 1.161 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)CCn1cc[nH+]c1 ZINC000353201335 134162211 /nfs/dbraw/zinc/16/22/11/134162211.db2.gz FRWMZRNEICDLAX-UHFFFAOYSA-N 1 2 234.303 1.281 20 30 BDEDLO Cc1c[nH+]c(CN(C)CC(C)(C)C#N)n1C ZINC000354036769 134166345 /nfs/dbraw/zinc/16/63/45/134166345.db2.gz HMZPAOXYZFNKLT-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO C=CCOCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000354842438 134170239 /nfs/dbraw/zinc/17/02/39/134170239.db2.gz VEUSVVJRACNNIQ-UHFFFAOYSA-N 1 2 245.282 1.784 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000354886863 134170673 /nfs/dbraw/zinc/17/06/73/134170673.db2.gz ZLONPNNWDJOPLI-GXFFZTMASA-N 1 2 246.314 1.254 20 30 BDEDLO C[C@@H](C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000357795096 134185333 /nfs/dbraw/zinc/18/53/33/134185333.db2.gz JCVVDMVGTSENMO-JTQLQIEISA-N 1 2 242.282 1.153 20 30 BDEDLO N#CC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000370013204 134224093 /nfs/dbraw/zinc/22/40/93/134224093.db2.gz YDUMQTJEKGWJKM-AWEZNQCLSA-N 1 2 230.311 1.580 20 30 BDEDLO N#CC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000370013204 134224094 /nfs/dbraw/zinc/22/40/94/134224094.db2.gz YDUMQTJEKGWJKM-AWEZNQCLSA-N 1 2 230.311 1.580 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000370502564 134226617 /nfs/dbraw/zinc/22/66/17/134226617.db2.gz GNFQUZDQJMJYHJ-WDEREUQCSA-N 1 2 237.303 1.534 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000370502564 134226618 /nfs/dbraw/zinc/22/66/18/134226618.db2.gz GNFQUZDQJMJYHJ-WDEREUQCSA-N 1 2 237.303 1.534 20 30 BDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC#Cc1ccccc1 ZINC000168615580 134231981 /nfs/dbraw/zinc/23/19/81/134231981.db2.gz BJWJZZWAZMGWBC-ZFWWWQNUSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CC#Cc1ccccc1 ZINC000168615580 134231982 /nfs/dbraw/zinc/23/19/82/134231982.db2.gz BJWJZZWAZMGWBC-ZFWWWQNUSA-N 1 2 245.322 1.120 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000373375698 134234175 /nfs/dbraw/zinc/23/41/75/134234175.db2.gz FXQBTEITZHZFNX-ZDUSSCGKSA-N 1 2 247.342 1.932 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCOCC2(CCC2)C1 ZINC000373375698 134234176 /nfs/dbraw/zinc/23/41/76/134234176.db2.gz FXQBTEITZHZFNX-ZDUSSCGKSA-N 1 2 247.342 1.932 20 30 BDEDLO CC#CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000121570466 134234613 /nfs/dbraw/zinc/23/46/13/134234613.db2.gz SNLHQQMJKKTIEV-UHFFFAOYSA-N 1 2 227.267 1.016 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373940341 134235234 /nfs/dbraw/zinc/23/52/34/134235234.db2.gz XODKOUDMKXNGCO-NSHDSACASA-N 1 2 216.288 1.570 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373940341 134235235 /nfs/dbraw/zinc/23/52/35/134235235.db2.gz XODKOUDMKXNGCO-NSHDSACASA-N 1 2 216.288 1.570 20 30 BDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCC#N)C[C@H](C)O2 ZINC000374029050 134235358 /nfs/dbraw/zinc/23/53/58/134235358.db2.gz VLOLDKUQRGIJKQ-AGIUHOORSA-N 1 2 238.331 1.558 20 30 BDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CCC#N)C[C@H](C)O2 ZINC000374029050 134235359 /nfs/dbraw/zinc/23/53/59/134235359.db2.gz VLOLDKUQRGIJKQ-AGIUHOORSA-N 1 2 238.331 1.558 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)C#N)CC2 ZINC000374696542 134237957 /nfs/dbraw/zinc/23/79/57/134237957.db2.gz XXBSWAHXPRKBQY-UHFFFAOYSA-N 1 2 232.287 1.084 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C[C@@H](C#N)CCC#N)CC2 ZINC000374693938 134237982 /nfs/dbraw/zinc/23/79/82/134237982.db2.gz MSQDREHCLPYCEP-GFCCVEGCSA-N 1 2 243.314 1.451 20 30 BDEDLO CN(C)c1noc([C@H]2CCC[N@@H+]2CCCC#N)n1 ZINC000375638957 134240158 /nfs/dbraw/zinc/24/01/58/134240158.db2.gz LASFGOVSUYNBSF-SNVBAGLBSA-N 1 2 249.318 1.576 20 30 BDEDLO CN(C)c1noc([C@H]2CCC[N@H+]2CCCC#N)n1 ZINC000375638957 134240159 /nfs/dbraw/zinc/24/01/59/134240159.db2.gz LASFGOVSUYNBSF-SNVBAGLBSA-N 1 2 249.318 1.576 20 30 BDEDLO C#CC[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000378194321 134245641 /nfs/dbraw/zinc/24/56/41/134245641.db2.gz IFUBMEAXFHICAV-NSHDSACASA-N 1 2 226.283 1.513 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000063086386 134395755 /nfs/dbraw/zinc/39/57/55/134395755.db2.gz GRGADULEGRWLEF-FZMZJTMJSA-N 1 2 243.310 1.826 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000063086386 134395757 /nfs/dbraw/zinc/39/57/57/134395757.db2.gz GRGADULEGRWLEF-FZMZJTMJSA-N 1 2 243.310 1.826 20 30 BDEDLO COc1ccc(C[NH2+]CCC#N)cc1F ZINC000037496166 134602987 /nfs/dbraw/zinc/60/29/87/134602987.db2.gz IPNMRRZTKLLANF-UHFFFAOYSA-N 1 2 208.236 1.838 20 30 BDEDLO C=CCCN1CC[NH+](CCOC(C)C)CC1 ZINC000337220643 135006394 /nfs/dbraw/zinc/00/63/94/135006394.db2.gz DIJJSAKKZVOKPE-UHFFFAOYSA-N 1 2 226.364 1.605 20 30 BDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccon2)C1=O ZINC000337206505 135007212 /nfs/dbraw/zinc/00/72/12/135007212.db2.gz MRIRAZRYCFLWAZ-GXSJLCMTSA-N 1 2 235.287 1.112 20 30 BDEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccon2)C1=O ZINC000337206508 135007214 /nfs/dbraw/zinc/00/72/14/135007214.db2.gz MRIRAZRYCFLWAZ-ONGXEEELSA-N 1 2 235.287 1.112 20 30 BDEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccon2)C1=O ZINC000337206507 135007286 /nfs/dbraw/zinc/00/72/86/135007286.db2.gz MRIRAZRYCFLWAZ-MWLCHTKSSA-N 1 2 235.287 1.112 20 30 BDEDLO C=CCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000338567738 135041108 /nfs/dbraw/zinc/04/11/08/135041108.db2.gz BKCBEIKEOARCPY-NSHDSACASA-N 1 2 236.340 1.797 20 30 BDEDLO C=CCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000338567738 135041110 /nfs/dbraw/zinc/04/11/10/135041110.db2.gz BKCBEIKEOARCPY-NSHDSACASA-N 1 2 236.340 1.797 20 30 BDEDLO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000338952371 135048360 /nfs/dbraw/zinc/04/83/60/135048360.db2.gz NFXKASPTCVZEHN-GHMZBOCLSA-N 1 2 238.331 1.952 20 30 BDEDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000338952371 135048363 /nfs/dbraw/zinc/04/83/63/135048363.db2.gz NFXKASPTCVZEHN-GHMZBOCLSA-N 1 2 238.331 1.952 20 30 BDEDLO C=CCOCC[NH+]1CCN(C2CCC2)CC1 ZINC000338997621 135051085 /nfs/dbraw/zinc/05/10/85/135051085.db2.gz QGQODVBOBQMWDO-UHFFFAOYSA-N 1 2 224.348 1.359 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000339755236 135080830 /nfs/dbraw/zinc/08/08/30/135080830.db2.gz DIAMDROWYQUWAY-UHFFFAOYSA-N 1 2 234.343 1.246 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000339755236 135080832 /nfs/dbraw/zinc/08/08/32/135080832.db2.gz DIAMDROWYQUWAY-UHFFFAOYSA-N 1 2 234.343 1.246 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000339766869 135081216 /nfs/dbraw/zinc/08/12/16/135081216.db2.gz VFIGJIPCICFOLM-UHFFFAOYSA-N 1 2 236.359 1.733 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000339766869 135081218 /nfs/dbraw/zinc/08/12/18/135081218.db2.gz VFIGJIPCICFOLM-UHFFFAOYSA-N 1 2 236.359 1.733 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000267113675 135151706 /nfs/dbraw/zinc/15/17/06/135151706.db2.gz YFTPIXJQICFUCM-ZDUSSCGKSA-N 1 2 248.326 1.662 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000267113675 135151708 /nfs/dbraw/zinc/15/17/08/135151708.db2.gz YFTPIXJQICFUCM-ZDUSSCGKSA-N 1 2 248.326 1.662 20 30 BDEDLO N#CCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268508406 135160463 /nfs/dbraw/zinc/16/04/63/135160463.db2.gz VTRKNFHNBAZPEE-ZDUSSCGKSA-N 1 2 216.284 1.492 20 30 BDEDLO N#CCC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000268508406 135160464 /nfs/dbraw/zinc/16/04/64/135160464.db2.gz VTRKNFHNBAZPEE-ZDUSSCGKSA-N 1 2 216.284 1.492 20 30 BDEDLO CCC[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000294970211 135188448 /nfs/dbraw/zinc/18/84/48/135188448.db2.gz LREHNOGENNVAMC-AWEZNQCLSA-N 1 2 247.342 1.958 20 30 BDEDLO CCC[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000294970211 135188450 /nfs/dbraw/zinc/18/84/50/135188450.db2.gz LREHNOGENNVAMC-AWEZNQCLSA-N 1 2 247.342 1.958 20 30 BDEDLO N#CCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297667261 135196676 /nfs/dbraw/zinc/19/66/76/135196676.db2.gz GCFUMUSQXFONGO-UHFFFAOYSA-N 1 2 228.255 1.967 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000299157052 135201688 /nfs/dbraw/zinc/20/16/88/135201688.db2.gz JCEICVKSVGKPKL-ZWNOBZJWSA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000299157052 135201690 /nfs/dbraw/zinc/20/16/90/135201690.db2.gz JCEICVKSVGKPKL-ZWNOBZJWSA-N 1 2 236.290 1.951 20 30 BDEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000121614726 135225667 /nfs/dbraw/zinc/22/56/67/135225667.db2.gz OQKGPRZFVCANSO-VIFPVBQESA-N 1 2 223.276 1.428 20 30 BDEDLO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000121614726 135225668 /nfs/dbraw/zinc/22/56/68/135225668.db2.gz OQKGPRZFVCANSO-VIFPVBQESA-N 1 2 223.276 1.428 20 30 BDEDLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCCC#N)[nH]1 ZINC000366717718 135231472 /nfs/dbraw/zinc/23/14/72/135231472.db2.gz KRYBKKUGYZUUGB-NSHDSACASA-N 1 2 233.319 1.944 20 30 BDEDLO Cc1nnc([C@@H]2CCCC[N@H+]2CCCC#N)[nH]1 ZINC000366717718 135231473 /nfs/dbraw/zinc/23/14/73/135231473.db2.gz KRYBKKUGYZUUGB-NSHDSACASA-N 1 2 233.319 1.944 20 30 BDEDLO CCN(C[C@@H](C)C#N)c1[nH+]cnc2[nH]ccc21 ZINC000342275355 135260192 /nfs/dbraw/zinc/26/01/92/135260192.db2.gz QRKMIZNWQJZAHQ-VIFPVBQESA-N 1 2 229.287 1.944 20 30 BDEDLO N#CCC[N@@H+](CC(=O)NCC1CCC1)CC1CC1 ZINC000081514900 135387576 /nfs/dbraw/zinc/38/75/76/135387576.db2.gz PCOJQTCVEOYWCW-UHFFFAOYSA-N 1 2 249.358 1.528 20 30 BDEDLO N#CCC[N@H+](CC(=O)NCC1CCC1)CC1CC1 ZINC000081514900 135387577 /nfs/dbraw/zinc/38/75/77/135387577.db2.gz PCOJQTCVEOYWCW-UHFFFAOYSA-N 1 2 249.358 1.528 20 30 BDEDLO CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H](C)C#N ZINC000048694747 135462422 /nfs/dbraw/zinc/46/24/22/135462422.db2.gz XYYPERLLNBINCJ-SNVBAGLBSA-N 1 2 225.336 1.383 20 30 BDEDLO CC[N@H+](CC(=O)NC(C)(C)C)C[C@H](C)C#N ZINC000048694747 135462423 /nfs/dbraw/zinc/46/24/23/135462423.db2.gz XYYPERLLNBINCJ-SNVBAGLBSA-N 1 2 225.336 1.383 20 30 BDEDLO 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CC#CC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000335340018 136045610 /nfs/dbraw/zinc/04/56/10/136045610.db2.gz GNXFFLBTXPFMKH-NSHDSACASA-N 1 2 219.288 1.928 20 30 BDEDLO C=CCC[C@H](CC)[NH2+][C@H](COC)C(=O)OC ZINC000310013258 397875625 /nfs/dbraw/zinc/87/56/25/397875625.db2.gz JQDDKSGPOPZCCL-WDEREUQCSA-N 1 2 229.320 1.509 20 30 BDEDLO CSC[C@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444721697 397942924 /nfs/dbraw/zinc/94/29/24/397942924.db2.gz FRQJWNWZQSISLI-MNOVXSKESA-N 1 2 242.388 1.724 20 30 BDEDLO CSC[C@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444721697 397942929 /nfs/dbraw/zinc/94/29/29/397942929.db2.gz FRQJWNWZQSISLI-MNOVXSKESA-N 1 2 242.388 1.724 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000271131582 397962834 /nfs/dbraw/zinc/96/28/34/397962834.db2.gz OQBLZTOMMWJNLB-SNVBAGLBSA-N 1 2 233.319 1.134 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000271131582 397962836 /nfs/dbraw/zinc/96/28/36/397962836.db2.gz OQBLZTOMMWJNLB-SNVBAGLBSA-N 1 2 233.319 1.134 20 30 BDEDLO 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C#CC[C@H](CCOC)Nc1cc(N(C)C)nc[nH+]1 ZINC000894830948 583527846 /nfs/dbraw/zinc/52/78/46/583527846.db2.gz WHAAIBVBHVDOIM-LLVKDONJSA-N 1 2 248.330 1.383 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc(N(C)C)[nH+]cn1 ZINC000894830948 583527847 /nfs/dbraw/zinc/52/78/47/583527847.db2.gz WHAAIBVBHVDOIM-LLVKDONJSA-N 1 2 248.330 1.383 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CSCCC)C(=O)OC ZINC000894859404 583533510 /nfs/dbraw/zinc/53/35/10/583533510.db2.gz UHEJJHHEIYQNCA-WDEREUQCSA-N 1 2 243.372 1.673 20 30 BDEDLO C[C@H](CCC#N)CNc1cc(CO)cc[nH+]1 ZINC000895038373 583570168 /nfs/dbraw/zinc/57/01/68/583570168.db2.gz NHQWKDWYVQDDQX-SNVBAGLBSA-N 1 2 219.288 1.926 20 30 BDEDLO C=CC(C)(C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000895292815 583638838 /nfs/dbraw/zinc/63/88/38/583638838.db2.gz YMGVKUYYYTZGID-UHFFFAOYSA-N 1 2 236.319 1.226 20 30 BDEDLO Cn1c[nH+]c(CNC(=O)NCC(C)(C)CC#N)c1 ZINC000895301255 583644099 /nfs/dbraw/zinc/64/40/99/583644099.db2.gz DZJWXDUNHQVAHH-UHFFFAOYSA-N 1 2 249.318 1.159 20 30 BDEDLO COc1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC000895345051 583655202 /nfs/dbraw/zinc/65/52/02/583655202.db2.gz XUEYVBPQZFJCDE-UHFFFAOYSA-N 1 2 206.245 1.634 20 30 BDEDLO C[N@H+](CC(C)(C)CCC#N)C1CS(=O)(=O)C1 ZINC000895396722 583665391 /nfs/dbraw/zinc/66/53/91/583665391.db2.gz BMMHLLNLUUXBDW-UHFFFAOYSA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CC(C)(C)CCC#N)C1CS(=O)(=O)C1 ZINC000895396722 583665392 /nfs/dbraw/zinc/66/53/92/583665392.db2.gz BMMHLLNLUUXBDW-UHFFFAOYSA-N 1 2 244.360 1.045 20 30 BDEDLO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1c[nH]nn1 ZINC000895534889 583686072 /nfs/dbraw/zinc/68/60/72/583686072.db2.gz WEFUOAWLYLCXLG-QMMMGPOBSA-N 1 2 207.281 1.223 20 30 BDEDLO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cn[nH]n1 ZINC000895534889 583686073 /nfs/dbraw/zinc/68/60/73/583686073.db2.gz WEFUOAWLYLCXLG-QMMMGPOBSA-N 1 2 207.281 1.223 20 30 BDEDLO N#C[C@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000895648041 583699362 /nfs/dbraw/zinc/69/93/62/583699362.db2.gz IWVPOLOKNZSEMF-SNVBAGLBSA-N 1 2 217.272 1.314 20 30 BDEDLO C#CC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000857922353 588923855 /nfs/dbraw/zinc/92/38/55/588923855.db2.gz HXDOHVCCSRNNSY-SNVBAGLBSA-N 1 2 214.268 1.462 20 30 BDEDLO C#CC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000857922353 588923857 /nfs/dbraw/zinc/92/38/57/588923857.db2.gz HXDOHVCCSRNNSY-SNVBAGLBSA-N 1 2 214.268 1.462 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977895 588926539 /nfs/dbraw/zinc/92/65/39/588926539.db2.gz IXQGHEHOJJCMQR-JOYOIKCWSA-N 1 2 232.287 1.384 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977169 588926573 /nfs/dbraw/zinc/92/65/73/588926573.db2.gz SOGFUWFVCWBXJE-SECBINFHSA-N 1 2 219.288 1.656 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCO)C(=O)OCC ZINC000896004137 583762423 /nfs/dbraw/zinc/76/24/23/583762423.db2.gz PVXCMWMKZCOTOT-WDEREUQCSA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986507 588929270 /nfs/dbraw/zinc/92/92/70/588929270.db2.gz VZGGLZBAZUHURD-QWRGUYRKSA-N 1 2 249.314 1.425 20 30 BDEDLO Cc1ccc(O[C@H]2CC[N@H+](CCC#N)C2)nc1 ZINC000858032017 588930770 /nfs/dbraw/zinc/93/07/70/588930770.db2.gz JCYIWMAANBFRTA-LBPRGKRZSA-N 1 2 231.299 1.757 20 30 BDEDLO Cc1ccc(O[C@H]2CC[N@@H+](CCC#N)C2)nc1 ZINC000858032017 588930771 /nfs/dbraw/zinc/93/07/71/588930771.db2.gz JCYIWMAANBFRTA-LBPRGKRZSA-N 1 2 231.299 1.757 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](C)C#N)c[nH+]1 ZINC000896741066 583829223 /nfs/dbraw/zinc/82/92/23/583829223.db2.gz ALRCWSASFILPGL-SECBINFHSA-N 1 2 234.303 1.203 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccnn1CC(C)C ZINC000897169040 583888398 /nfs/dbraw/zinc/88/83/98/583888398.db2.gz KXXXLWFQDLJBSA-UHFFFAOYSA-N 1 2 219.332 1.994 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccnn1CC(C)C ZINC000897169040 583888400 /nfs/dbraw/zinc/88/84/00/583888400.db2.gz KXXXLWFQDLJBSA-UHFFFAOYSA-N 1 2 219.332 1.994 20 30 BDEDLO Cc1nc(NCC#C[C@H]2CCCCO2)cc[nH+]1 ZINC000897456729 583987460 /nfs/dbraw/zinc/98/74/60/583987460.db2.gz KBIFJIFUFUTTGE-GFCCVEGCSA-N 1 2 231.299 1.769 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000898098635 584085594 /nfs/dbraw/zinc/08/55/94/584085594.db2.gz BMDOFDDQIRSZAI-LLVKDONJSA-N 1 2 247.342 1.916 20 30 BDEDLO N#C[C@@]1(F)CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858506308 588961342 /nfs/dbraw/zinc/96/13/42/588961342.db2.gz GHQZUXGLKYFNPK-NSHDSACASA-N 1 2 221.235 1.016 20 30 BDEDLO N#Cc1csc(C[NH2+]C/C=C\Cl)n1 ZINC000898426825 584132090 /nfs/dbraw/zinc/13/20/90/584132090.db2.gz AFPLPCJJIKMIRR-UPHRSURJSA-N 1 2 213.693 1.857 20 30 BDEDLO C=C1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000898706170 584153250 /nfs/dbraw/zinc/15/32/50/584153250.db2.gz UDYVETDBWITQCZ-UHFFFAOYSA-N 1 2 219.288 1.325 20 30 BDEDLO CCOCCOCC/[NH+]=C/c1ccccc1O ZINC000899227769 584182712 /nfs/dbraw/zinc/18/27/12/584182712.db2.gz RMVOWBFNXCHIJW-SDNWHVSQSA-N 1 2 237.299 1.864 20 30 BDEDLO CCn1c[nH+]c(/C=C2/C(=O)c3ncnn3[C@@H]2C)c1 ZINC000899380805 584209500 /nfs/dbraw/zinc/20/95/00/584209500.db2.gz KZBMTQPRARKHFQ-OPWUTIMJSA-N 1 2 243.270 1.335 20 30 BDEDLO C=C1C[NH+](C[C@H](O)CC2(CO)CCCC2)C1 ZINC000899899901 584248076 /nfs/dbraw/zinc/24/80/76/584248076.db2.gz DGFMXVFASWBMOB-GFCCVEGCSA-N 1 2 225.332 1.162 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2cccc(CC)c2)C1 ZINC000899900057 584248911 /nfs/dbraw/zinc/24/89/11/584248911.db2.gz HNYQUTACGJPYTL-CQSZACIVSA-N 1 2 247.338 1.861 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)NC1(C#N)CC1 ZINC000900722073 584345177 /nfs/dbraw/zinc/34/51/77/584345177.db2.gz GYLFKLVZKLOWDR-UHFFFAOYSA-N 1 2 230.271 1.218 20 30 BDEDLO C#CCCCNC(=O)CNc1cccc[nH+]1 ZINC000900872253 584359626 /nfs/dbraw/zinc/35/96/26/584359626.db2.gz WWTJYSWGEDOCHT-UHFFFAOYSA-N 1 2 217.272 1.023 20 30 BDEDLO C#CC[C@H](COC)Nc1nc[nH+]c(C)c1OC ZINC000858862203 588980253 /nfs/dbraw/zinc/98/02/53/588980253.db2.gz YLMCBEMJHGIMTD-SNVBAGLBSA-N 1 2 235.287 1.244 20 30 BDEDLO CCn1c[nH+]cc1C=Nn1nnc2c1CCCC2 ZINC000901328766 584424108 /nfs/dbraw/zinc/42/41/08/584424108.db2.gz OONXWYNLDCUOGG-UHFFFAOYSA-N 1 2 244.302 1.256 20 30 BDEDLO C=CCN(C(=O)CNc1cccc[nH+]1)C1CC1 ZINC000901313497 584428312 /nfs/dbraw/zinc/42/83/12/584428312.db2.gz DSLOZBZQUCCIQN-UHFFFAOYSA-N 1 2 231.299 1.671 20 30 BDEDLO Cn1c[nH+]cc1/C=C1\CCn2nccc2C1=O ZINC000901543066 584459519 /nfs/dbraw/zinc/45/95/19/584459519.db2.gz KLRHFRDKVDNSEO-RMKNXTFCSA-N 1 2 228.255 1.287 20 30 BDEDLO CCn1c[nH+]cc1/C=C1\CCn2ccnc2C1=O ZINC000901536714 584460324 /nfs/dbraw/zinc/46/03/24/584460324.db2.gz LRAQVTJSDZDAHR-JXMROGBWSA-N 1 2 242.282 1.770 20 30 BDEDLO O=C1c2nccn2C/C1=C/c1cn(C2CC2)c[nH+]1 ZINC000901513217 584460916 /nfs/dbraw/zinc/46/09/16/584460916.db2.gz QGUCBLPYVJIOQE-UITAMQMPSA-N 1 2 240.266 1.694 20 30 BDEDLO Cc1[nH]c(/C=C2/Cn3ccnc3C2=O)[nH+]c1C ZINC000901512074 584461185 /nfs/dbraw/zinc/46/11/85/584461185.db2.gz APRQSPPZVDOKEM-UITAMQMPSA-N 1 2 228.255 1.503 20 30 BDEDLO CCn1ccnc1C(=O)/C=C\c1c[nH+]cn1C ZINC000901556605 584462580 /nfs/dbraw/zinc/46/25/80/584462580.db2.gz HHYLJHXVHRDQNV-PLNGDYQASA-N 1 2 230.271 1.533 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C(=O)OC ZINC000901585002 584467617 /nfs/dbraw/zinc/46/76/17/584467617.db2.gz CEQNXFQNEBTAGZ-RNJXMRFFSA-N 1 2 237.221 1.502 20 30 BDEDLO C=CC[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902229563 584541696 /nfs/dbraw/zinc/54/16/96/584541696.db2.gz UDIMJHOGUSFXAN-UHFFFAOYSA-N 1 2 216.284 1.718 20 30 BDEDLO C=CC[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902229563 584541697 /nfs/dbraw/zinc/54/16/97/584541697.db2.gz UDIMJHOGUSFXAN-UHFFFAOYSA-N 1 2 216.284 1.718 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902227769 584542111 /nfs/dbraw/zinc/54/21/11/584542111.db2.gz BLBXEZAGVYWLAW-GXFFZTMASA-N 1 2 236.315 1.093 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902227769 584542112 /nfs/dbraw/zinc/54/21/12/584542112.db2.gz BLBXEZAGVYWLAW-GXFFZTMASA-N 1 2 236.315 1.093 20 30 BDEDLO CCn1c[nH+]c(CN[C@@H](CC#N)C(F)(F)F)c1 ZINC000902654143 584651704 /nfs/dbraw/zinc/65/17/04/584651704.db2.gz CQPVDPOEBHHZST-VIFPVBQESA-N 1 2 246.236 1.837 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902994562 584712086 /nfs/dbraw/zinc/71/20/86/584712086.db2.gz FMJRQVHUCXNTEN-MNOVXSKESA-N 1 2 226.295 1.207 20 30 BDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902994562 584712087 /nfs/dbraw/zinc/71/20/87/584712087.db2.gz FMJRQVHUCXNTEN-MNOVXSKESA-N 1 2 226.295 1.207 20 30 BDEDLO CCCCN(O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000904214591 584855814 /nfs/dbraw/zinc/85/58/14/584855814.db2.gz FGRWARAGFHEMRN-SNVBAGLBSA-N 1 2 225.292 1.852 20 30 BDEDLO C#CCCOC(=O)NCc1[nH+]ccn1CC ZINC000859175859 589014288 /nfs/dbraw/zinc/01/42/88/589014288.db2.gz NTDQBXPVJGYTSJ-UHFFFAOYSA-N 1 2 221.260 1.153 20 30 BDEDLO C(=NNc1cc[nH+]c2ccccc12)c1ncc[nH]1 ZINC000731153123 584922924 /nfs/dbraw/zinc/92/29/24/584922924.db2.gz BDIXMFKLYZQPOR-UHFFFAOYSA-N 1 2 237.266 1.826 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CN1CCCC1=O ZINC000733293664 584946222 /nfs/dbraw/zinc/94/62/22/584946222.db2.gz MMJFFDCOZDAXLV-UHFFFAOYSA-N 1 2 223.320 1.438 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CN1CCCC1=O ZINC000733293664 584946223 /nfs/dbraw/zinc/94/62/23/584946223.db2.gz MMJFFDCOZDAXLV-UHFFFAOYSA-N 1 2 223.320 1.438 20 30 BDEDLO Nc1cc(COC(=O)C#CC2CC2)cc[nH+]1 ZINC000838365962 585054430 /nfs/dbraw/zinc/05/44/30/585054430.db2.gz BEZRIEAGJFMCEK-UHFFFAOYSA-N 1 2 216.240 1.120 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cnn(CC)n1 ZINC000838987295 585084806 /nfs/dbraw/zinc/08/48/06/585084806.db2.gz AQBHMZDCVFKXNM-UHFFFAOYSA-N 1 2 200.673 1.140 20 30 BDEDLO C#CCCOc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000839127714 585093606 /nfs/dbraw/zinc/09/36/06/585093606.db2.gz HOSIUQBIINLJBW-UHFFFAOYSA-N 1 2 245.322 1.919 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C(=O)OC ZINC000839167619 585095224 /nfs/dbraw/zinc/09/52/24/585095224.db2.gz GYIBMKABXIZRNW-QWRGUYRKSA-N 1 2 225.332 1.966 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C(=O)OC ZINC000839167953 585095660 /nfs/dbraw/zinc/09/56/60/585095660.db2.gz IQOHQVJHBRXLES-CMPLNLGQSA-N 1 2 235.283 1.365 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)OC ZINC000839168346 585095768 /nfs/dbraw/zinc/09/57/68/585095768.db2.gz JTLIMFOWKUUSTQ-GHMZBOCLSA-N 1 2 223.316 1.720 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000839186957 585097059 /nfs/dbraw/zinc/09/70/59/585097059.db2.gz WCPAQKUUCSUTRN-AWEZNQCLSA-N 1 2 244.338 1.587 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839186957 585097060 /nfs/dbraw/zinc/09/70/60/585097060.db2.gz WCPAQKUUCSUTRN-AWEZNQCLSA-N 1 2 244.338 1.587 20 30 BDEDLO NC(=[NH+]OCc1ccon1)c1ccc(F)cc1 ZINC000740872562 585107547 /nfs/dbraw/zinc/10/75/47/585107547.db2.gz IAFNKBSYRRENIM-UHFFFAOYSA-N 1 2 235.218 1.651 20 30 BDEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741146615 585110369 /nfs/dbraw/zinc/11/03/69/585110369.db2.gz NVFPEEWXPDEKGT-SECBINFHSA-N 1 2 217.696 1.766 20 30 BDEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741146615 585110370 /nfs/dbraw/zinc/11/03/70/585110370.db2.gz NVFPEEWXPDEKGT-SECBINFHSA-N 1 2 217.696 1.766 20 30 BDEDLO C#CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000743168573 585134069 /nfs/dbraw/zinc/13/40/69/585134069.db2.gz CKXWRQWJYBRGEA-UHFFFAOYSA-N 1 2 242.282 1.869 20 30 BDEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)NCCC#N ZINC000746673646 585172146 /nfs/dbraw/zinc/17/21/46/585172146.db2.gz YDJXRJXSJQEKMX-NSHDSACASA-N 1 2 243.310 1.593 20 30 BDEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)NCCC#N ZINC000746673646 585172147 /nfs/dbraw/zinc/17/21/47/585172147.db2.gz YDJXRJXSJQEKMX-NSHDSACASA-N 1 2 243.310 1.593 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2=C(C)CCC2)CC1 ZINC000746820053 585172817 /nfs/dbraw/zinc/17/28/17/585172817.db2.gz DFRIZUYRZIYGBF-UHFFFAOYSA-N 1 2 232.327 1.264 20 30 BDEDLO CCC[N@H+](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000748410332 585192419 /nfs/dbraw/zinc/19/24/19/585192419.db2.gz JCTAYJLVVWNBEN-UHFFFAOYSA-N 1 2 247.298 1.544 20 30 BDEDLO CCC[N@@H+](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000748410332 585192420 /nfs/dbraw/zinc/19/24/20/585192420.db2.gz JCTAYJLVVWNBEN-UHFFFAOYSA-N 1 2 247.298 1.544 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccnc(C#N)c1 ZINC000749513421 585203410 /nfs/dbraw/zinc/20/34/10/585203410.db2.gz DKGZURKITCYASR-UHFFFAOYSA-N 1 2 209.252 1.022 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C2/CC[C@@H](C)C2)CC1 ZINC000753607548 585263815 /nfs/dbraw/zinc/26/38/15/585263815.db2.gz PHZBWVYVISJYDB-NXXVSJRMSA-N 1 2 246.354 1.510 20 30 BDEDLO C[C@@H]1C[C@@H]1CN=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753940289 585272602 /nfs/dbraw/zinc/27/26/02/585272602.db2.gz UAUUUZJIWCTJFQ-GWOFURMSSA-N 1 2 220.320 1.488 20 30 BDEDLO Cc1cccn2c(C=Nn3cnnc3)c[nH+]c12 ZINC000755463171 585300100 /nfs/dbraw/zinc/30/01/00/585300100.db2.gz FZGFFRQZIRGRET-UHFFFAOYSA-N 1 2 226.243 1.116 20 30 BDEDLO O=[N+]([O-])c1ccccc1N=NCc1c[nH+]c[nH]1 ZINC000755465501 585300338 /nfs/dbraw/zinc/30/03/38/585300338.db2.gz KIGHKHVSGOSWDT-UHFFFAOYSA-N 1 2 231.215 1.764 20 30 BDEDLO O=[N+]([O-])c1ccccc1N=NCc1c[nH]c[nH+]1 ZINC000755465501 585300339 /nfs/dbraw/zinc/30/03/39/585300339.db2.gz KIGHKHVSGOSWDT-UHFFFAOYSA-N 1 2 231.215 1.764 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1cnccn1 ZINC000755633947 585302836 /nfs/dbraw/zinc/30/28/36/585302836.db2.gz IFLBTTGACNEMNC-UHFFFAOYSA-N 1 2 216.248 1.139 20 30 BDEDLO CC#CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000756140497 585315176 /nfs/dbraw/zinc/31/51/76/585315176.db2.gz SHXXJCMESYPJJL-UHFFFAOYSA-N 1 2 227.267 1.478 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000757649286 585343805 /nfs/dbraw/zinc/34/38/05/585343805.db2.gz RATVACQYNJWQOA-NSHDSACASA-N 1 2 224.304 1.172 20 30 BDEDLO C=C(C)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000759812824 585380706 /nfs/dbraw/zinc/38/07/06/585380706.db2.gz ZLISRBOSTGNILJ-JTQLQIEISA-N 1 2 229.345 1.543 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1ncc(F)cn1 ZINC000760246744 585387535 /nfs/dbraw/zinc/38/75/35/585387535.db2.gz DVKHVMBMDXHDPY-UHFFFAOYSA-N 1 2 234.238 1.278 20 30 BDEDLO C#CCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000760517618 585393600 /nfs/dbraw/zinc/39/36/00/585393600.db2.gz PRQRXYSLQFKFNH-SNVBAGLBSA-N 1 2 219.288 1.781 20 30 BDEDLO C#CCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000760821931 585397908 /nfs/dbraw/zinc/39/79/08/585397908.db2.gz WCUFBORJFPLFSO-UHFFFAOYSA-N 1 2 231.295 1.685 20 30 BDEDLO C#CCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000760821931 585397909 /nfs/dbraw/zinc/39/79/09/585397909.db2.gz WCUFBORJFPLFSO-UHFFFAOYSA-N 1 2 231.295 1.685 20 30 BDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761090330 585407964 /nfs/dbraw/zinc/40/79/64/585407964.db2.gz JXZOZOWNIQNLNJ-WCBMZHEXSA-N 1 2 247.323 1.652 20 30 BDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761090330 585407965 /nfs/dbraw/zinc/40/79/65/585407965.db2.gz JXZOZOWNIQNLNJ-WCBMZHEXSA-N 1 2 247.323 1.652 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000761107748 585409958 /nfs/dbraw/zinc/40/99/58/585409958.db2.gz HAYKAADNBPYNDT-UHFFFAOYSA-N 1 2 241.722 1.155 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000761107748 585409959 /nfs/dbraw/zinc/40/99/59/585409959.db2.gz HAYKAADNBPYNDT-UHFFFAOYSA-N 1 2 241.722 1.155 20 30 BDEDLO C#CCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000766921055 585511674 /nfs/dbraw/zinc/51/16/74/585511674.db2.gz SWJWFGLKNGASRQ-GFCCVEGCSA-N 1 2 248.351 1.634 20 30 BDEDLO C#CCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000766921055 585511675 /nfs/dbraw/zinc/51/16/75/585511675.db2.gz SWJWFGLKNGASRQ-GFCCVEGCSA-N 1 2 248.351 1.634 20 30 BDEDLO C[C@H](C#N)C[N@H+](CCC(=O)C1CC1)C1CC1 ZINC000767471601 585520927 /nfs/dbraw/zinc/52/09/27/585520927.db2.gz YZNRKWYDDOXSIT-SNVBAGLBSA-N 1 2 220.316 1.980 20 30 BDEDLO C[C@H](C#N)C[N@@H+](CCC(=O)C1CC1)C1CC1 ZINC000767471601 585520928 /nfs/dbraw/zinc/52/09/28/585520928.db2.gz YZNRKWYDDOXSIT-SNVBAGLBSA-N 1 2 220.316 1.980 20 30 BDEDLO CC#CCCCC(=O)OCC[NH+]1CCOCC1 ZINC000767668482 585524336 /nfs/dbraw/zinc/52/43/36/585524336.db2.gz ZUYVJWRBAFTJNB-UHFFFAOYSA-N 1 2 239.315 1.055 20 30 BDEDLO C=CC[N@H+](CN1CCSC1=S)C1CC1 ZINC000771640623 585598180 /nfs/dbraw/zinc/59/81/80/585598180.db2.gz PIZAGGUICKYMSC-UHFFFAOYSA-N 1 2 228.386 1.928 20 30 BDEDLO C=CC[N@@H+](CN1CCSC1=S)C1CC1 ZINC000771640623 585598181 /nfs/dbraw/zinc/59/81/81/585598181.db2.gz PIZAGGUICKYMSC-UHFFFAOYSA-N 1 2 228.386 1.928 20 30 BDEDLO C=C(CC)C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000773473130 585637793 /nfs/dbraw/zinc/63/77/93/585637793.db2.gz KZGIZNCGSUUUSE-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C=C(CC)C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000773473130 585637794 /nfs/dbraw/zinc/63/77/94/585637794.db2.gz KZGIZNCGSUUUSE-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC1(C#N)CCC1 ZINC000774483435 585660144 /nfs/dbraw/zinc/66/01/44/585660144.db2.gz PTAHEQARRAAUJM-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC1(C#N)CCC1 ZINC000774483435 585660145 /nfs/dbraw/zinc/66/01/45/585660145.db2.gz PTAHEQARRAAUJM-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C)o1)[C@@H]1CCCO1 ZINC000775793448 585685073 /nfs/dbraw/zinc/68/50/73/585685073.db2.gz KVNWEKDRFZIPFW-NEPJUHHUSA-N 1 2 234.299 1.562 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(C)o1)[C@H]1CCCO1 ZINC000775808064 585685698 /nfs/dbraw/zinc/68/56/98/585685698.db2.gz XUDLZNMATIUFEM-SDDRHHMPSA-N 1 2 234.299 1.814 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000777547623 585714783 /nfs/dbraw/zinc/71/47/83/585714783.db2.gz FWAURGCFXMHNHN-NSHDSACASA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000777547623 585714784 /nfs/dbraw/zinc/71/47/84/585714784.db2.gz FWAURGCFXMHNHN-NSHDSACASA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000777543982 585714815 /nfs/dbraw/zinc/71/48/15/585714815.db2.gz BBCRSGIEXFDWGA-NWDGAFQWSA-N 1 2 222.332 1.853 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000777543982 585714816 /nfs/dbraw/zinc/71/48/16/585714816.db2.gz BBCRSGIEXFDWGA-NWDGAFQWSA-N 1 2 222.332 1.853 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CC1OCCO1 ZINC000777588666 585716065 /nfs/dbraw/zinc/71/60/65/585716065.db2.gz LHXCAVKYDKDJBA-UHFFFAOYSA-N 1 2 212.293 1.231 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CC1OCCO1 ZINC000777588666 585716066 /nfs/dbraw/zinc/71/60/66/585716066.db2.gz LHXCAVKYDKDJBA-UHFFFAOYSA-N 1 2 212.293 1.231 20 30 BDEDLO C#CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000778743028 585739965 /nfs/dbraw/zinc/73/99/65/585739965.db2.gz MNKKHEWGQLOONB-UHFFFAOYSA-N 1 2 240.266 1.020 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000778985755 585743599 /nfs/dbraw/zinc/74/35/99/585743599.db2.gz VVOCRIHKEHWQBE-VIFPVBQESA-N 1 2 243.738 1.442 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1ncc(Cl)n1C ZINC000778985755 585743600 /nfs/dbraw/zinc/74/36/00/585743600.db2.gz VVOCRIHKEHWQBE-VIFPVBQESA-N 1 2 243.738 1.442 20 30 BDEDLO COc1ccc(N=NCc2[nH+]ccn2C)nc1 ZINC000780277422 585776648 /nfs/dbraw/zinc/77/66/48/585776648.db2.gz WLWYLBULLGZODB-UHFFFAOYSA-N 1 2 231.259 1.270 20 30 BDEDLO N#CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000781571651 585798905 /nfs/dbraw/zinc/79/89/05/585798905.db2.gz IBMUUBSOCHHGMZ-UHFFFAOYSA-N 1 2 249.274 1.374 20 30 BDEDLO Cn1c[nH+]cc1C=NN[C@@H]1CCCC1(C)C ZINC000782290487 585814069 /nfs/dbraw/zinc/81/40/69/585814069.db2.gz YUXUPWREGOTEMA-LLVKDONJSA-N 1 2 220.320 1.922 20 30 BDEDLO C#CCOCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000784238229 585853353 /nfs/dbraw/zinc/85/33/53/585853353.db2.gz ZMGSYABDMSEIQX-UHFFFAOYSA-N 1 2 233.315 1.836 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000784410969 585859084 /nfs/dbraw/zinc/85/90/84/585859084.db2.gz RBYQVTYWBLNMKU-UHFFFAOYSA-N 1 2 236.359 1.446 20 30 BDEDLO C=CCC[N@@H+](C)Cn1nnn(CC=C)c1=S ZINC000786102975 585887302 /nfs/dbraw/zinc/88/73/02/585887302.db2.gz YWZZMVQZNPRPIZ-UHFFFAOYSA-N 1 2 239.348 1.460 20 30 BDEDLO C=CCC[N@H+](C)Cn1nnn(CC=C)c1=S ZINC000786102975 585887303 /nfs/dbraw/zinc/88/73/03/585887303.db2.gz YWZZMVQZNPRPIZ-UHFFFAOYSA-N 1 2 239.348 1.460 20 30 BDEDLO C=C(Cl)C[N@@H+](CCOC)[C@H]1CCOC1 ZINC000786194661 585888430 /nfs/dbraw/zinc/88/84/30/585888430.db2.gz VYCZHZBZEFEYKN-JTQLQIEISA-N 1 2 219.712 1.476 20 30 BDEDLO C=C(Cl)C[N@H+](CCOC)[C@H]1CCOC1 ZINC000786194661 585888431 /nfs/dbraw/zinc/88/84/31/585888431.db2.gz VYCZHZBZEFEYKN-JTQLQIEISA-N 1 2 219.712 1.476 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccc(O)c1O ZINC000790301949 585962971 /nfs/dbraw/zinc/96/29/71/585962971.db2.gz LFLYJVZILJZOOY-UHFFFAOYSA-N 1 2 232.243 1.277 20 30 BDEDLO CCn1nccc1C=NNc1[nH+]ccn1C ZINC000790305850 585963484 /nfs/dbraw/zinc/96/34/84/585963484.db2.gz PGCHFLYMYQAKOZ-UHFFFAOYSA-N 1 2 218.264 1.083 20 30 BDEDLO C[C@@H]([NH2+]NC1=CC(=O)N2CCC[C@@H]12)C(C)(C)C ZINC000793116939 586010939 /nfs/dbraw/zinc/01/09/39/586010939.db2.gz VSSADHXYWVUNMR-KOLCDFICSA-N 1 2 237.347 1.761 20 30 BDEDLO C[C@@H]([NH2+]NC1=CC(=O)N2CCC[C@H]12)C(C)(C)C ZINC000793116941 586011098 /nfs/dbraw/zinc/01/10/98/586011098.db2.gz VSSADHXYWVUNMR-MWLCHTKSSA-N 1 2 237.347 1.761 20 30 BDEDLO Fc1cccc(N=NCc2[nH]cc[nH+]2)n1 ZINC000795007102 586064720 /nfs/dbraw/zinc/06/47/20/586064720.db2.gz QJZVSTSALFWKJX-UHFFFAOYSA-N 1 2 205.196 1.390 20 30 BDEDLO C#CCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000796309763 586100250 /nfs/dbraw/zinc/10/02/50/586100250.db2.gz YPKRPDZRFDSHAD-IUCAKERBSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000796309763 586100251 /nfs/dbraw/zinc/10/02/51/586100251.db2.gz YPKRPDZRFDSHAD-IUCAKERBSA-N 1 2 221.222 1.661 20 30 BDEDLO C=CCC(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000796473635 586104372 /nfs/dbraw/zinc/10/43/72/586104372.db2.gz LWWAJURNNSEZHO-UHFFFAOYSA-N 1 2 241.331 1.464 20 30 BDEDLO O=C1C=C(N[NH2+]C2CCCC2)[C@H]2CCCN12 ZINC000799478360 586178307 /nfs/dbraw/zinc/17/83/07/586178307.db2.gz CNGBIYPBSKWNTI-LLVKDONJSA-N 1 2 221.304 1.269 20 30 BDEDLO C#CCC[N@@H+](C)c1ccc(N2CCOCC2)cc1 ZINC000859384762 589035057 /nfs/dbraw/zinc/03/50/57/589035057.db2.gz GHOYEGZZMTYYSL-UHFFFAOYSA-N 1 2 244.338 1.983 20 30 BDEDLO C#CCC[N@H+](C)c1ccc(N2CCOCC2)cc1 ZINC000859384762 589035058 /nfs/dbraw/zinc/03/50/58/589035058.db2.gz GHOYEGZZMTYYSL-UHFFFAOYSA-N 1 2 244.338 1.983 20 30 BDEDLO CC(=NNC[C@H](C)C#N)c1cn(C)c(C)[nH+]1 ZINC000800814189 586231359 /nfs/dbraw/zinc/23/13/59/586231359.db2.gz KRLWPQHNAUHYSA-MRVPVSSYSA-N 1 2 219.292 1.202 20 30 BDEDLO CC(=NO[C@@H]1CCCCO1)c1cn(C)c(C)[nH+]1 ZINC000800815411 586232196 /nfs/dbraw/zinc/23/21/96/586232196.db2.gz XTNVXGBFPBSRBZ-GFCCVEGCSA-N 1 2 237.303 1.996 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000801913184 586276603 /nfs/dbraw/zinc/27/66/03/586276603.db2.gz RJMROHJMQBUYHG-VXGBXAGGSA-N 1 2 248.330 1.518 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000801913184 586276605 /nfs/dbraw/zinc/27/66/05/586276605.db2.gz RJMROHJMQBUYHG-VXGBXAGGSA-N 1 2 248.330 1.518 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000801938856 586280798 /nfs/dbraw/zinc/28/07/98/586280798.db2.gz NNHINORAJZXDEZ-NWDGAFQWSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000801938856 586280801 /nfs/dbraw/zinc/28/08/01/586280801.db2.gz NNHINORAJZXDEZ-NWDGAFQWSA-N 1 2 221.304 1.541 20 30 BDEDLO CC[C@](C)(C#N)C(=O)OCCc1c[nH+]cn1C ZINC000802777349 586314164 /nfs/dbraw/zinc/31/41/64/586314164.db2.gz JPVZBCARKBPVQO-GFCCVEGCSA-N 1 2 235.287 1.446 20 30 BDEDLO CCc1nc(Nc2cnn(CC#N)c2)cc(C)[nH+]1 ZINC000804396749 586394365 /nfs/dbraw/zinc/39/43/65/586394365.db2.gz IMLADBLGQVWAIO-UHFFFAOYSA-N 1 2 242.286 1.811 20 30 BDEDLO C#C[C@@H](NC(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC000807879040 586450232 /nfs/dbraw/zinc/45/02/32/586450232.db2.gz LZUIICHQVJIXDU-GFCCVEGCSA-N 1 2 247.342 1.827 20 30 BDEDLO Nc1ccc(C=Nn2cnc3ccccc32)c[nH+]1 ZINC000807959334 586453061 /nfs/dbraw/zinc/45/30/61/586453061.db2.gz QWLGDAMAOSIVQJ-UHFFFAOYSA-N 1 2 237.266 1.896 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2ccc(N)[nH+]c2)o1 ZINC000807965516 586453389 /nfs/dbraw/zinc/45/33/89/586453389.db2.gz YNMKQNNYKUGHPK-UHFFFAOYSA-N 1 2 242.242 1.278 20 30 BDEDLO Nc1ccc(C=[NH+]Nc2ccncc2Cl)cn1 ZINC000807977754 586454314 /nfs/dbraw/zinc/45/43/14/586454314.db2.gz YXONKMOAZWOHQF-UHFFFAOYSA-N 1 2 247.689 1.580 20 30 BDEDLO CC(=NN[C@@H]1CCSC1)c1cn(C)c(C)[nH+]1 ZINC000807999186 586457304 /nfs/dbraw/zinc/45/73/04/586457304.db2.gz ZLUDPLIRBZGMNU-SNVBAGLBSA-N 1 2 238.360 1.548 20 30 BDEDLO C#CCCCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000859668671 589053662 /nfs/dbraw/zinc/05/36/62/589053662.db2.gz DLBFLTFFJPRFBO-UHFFFAOYSA-N 1 2 241.294 1.786 20 30 BDEDLO C#CCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000809447575 586505750 /nfs/dbraw/zinc/50/57/50/586505750.db2.gz BPCQYJKYLXGELR-UHFFFAOYSA-N 1 2 230.271 1.350 20 30 BDEDLO C#CCC(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000810753502 586546331 /nfs/dbraw/zinc/54/63/31/586546331.db2.gz BVZNKLNMODPVBT-NSHDSACASA-N 1 2 241.306 1.623 20 30 BDEDLO C#CCC(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000810753502 586546332 /nfs/dbraw/zinc/54/63/32/586546332.db2.gz BVZNKLNMODPVBT-NSHDSACASA-N 1 2 241.306 1.623 20 30 BDEDLO Cn1c[nH+]cc1C/N=C/c1ccc(O)c(O)c1O ZINC000811624855 586562029 /nfs/dbraw/zinc/56/20/29/586562029.db2.gz ULOPPPOJNMRBPQ-YIXHJXPBSA-N 1 2 247.254 1.156 20 30 BDEDLO N#CCCCC(=O)OCCn1cc[nH+]c1 ZINC000812616740 586580713 /nfs/dbraw/zinc/58/07/13/586580713.db2.gz NRIYUBXJYJGGSF-UHFFFAOYSA-N 1 2 207.233 1.120 20 30 BDEDLO C#CCOCCNc1cc(NC2CC2)nc[nH+]1 ZINC000840286789 586599927 /nfs/dbraw/zinc/59/99/27/586599927.db2.gz MWLKDDPGBUGKMI-UHFFFAOYSA-N 1 2 232.287 1.113 20 30 BDEDLO C#CCOCCNc1cc(NC2CC2)[nH+]cn1 ZINC000840286789 586599928 /nfs/dbraw/zinc/59/99/28/586599928.db2.gz MWLKDDPGBUGKMI-UHFFFAOYSA-N 1 2 232.287 1.113 20 30 BDEDLO C#CCOc1ccccc1C[NH+]1CC(C)(OC)C1 ZINC000813332394 586600464 /nfs/dbraw/zinc/60/04/64/586600464.db2.gz XULVYHQGHWSAMI-UHFFFAOYSA-N 1 2 245.322 1.919 20 30 BDEDLO CC(C)CO[NH+]=C1CCCc2nc(N)ncc21 ZINC000814884014 586642611 /nfs/dbraw/zinc/64/26/11/586642611.db2.gz LUIKYJNSRBZQBL-UHFFFAOYSA-N 1 2 234.303 1.772 20 30 BDEDLO CN(C)c1ncc(C=[NH+]OC/C=C/Cl)cn1 ZINC000814933808 586654297 /nfs/dbraw/zinc/65/42/97/586654297.db2.gz ATWDXKXSNQSPSO-JNCBZWCLSA-N 1 2 240.694 1.646 20 30 BDEDLO C[C@H](O)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000814961610 586659735 /nfs/dbraw/zinc/65/97/35/586659735.db2.gz NSVUHKJYLCYIOA-NSHDSACASA-N 1 2 248.330 1.008 20 30 BDEDLO CC(=[NH+]Nc1cnnn1C)c1ccc(N)cc1C ZINC000814982663 586663593 /nfs/dbraw/zinc/66/35/93/586663593.db2.gz KCUHFYXFYKYUIL-UHFFFAOYSA-N 1 2 244.302 1.542 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccc(C(=O)OCC)o1 ZINC000815282824 586676499 /nfs/dbraw/zinc/67/64/99/586676499.db2.gz HFMAXPKWKBNEPH-UHFFFAOYSA-N 1 2 235.283 1.911 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccc(C(=O)OCC)o1 ZINC000815282824 586676501 /nfs/dbraw/zinc/67/65/01/586676501.db2.gz HFMAXPKWKBNEPH-UHFFFAOYSA-N 1 2 235.283 1.911 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc(Cl)cn1 ZINC000815280740 586676572 /nfs/dbraw/zinc/67/65/72/586676572.db2.gz DTFDTWZQXDCYFA-UHFFFAOYSA-N 1 2 209.680 1.585 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc(Cl)cn1 ZINC000815280740 586676573 /nfs/dbraw/zinc/67/65/73/586676573.db2.gz DTFDTWZQXDCYFA-UHFFFAOYSA-N 1 2 209.680 1.585 20 30 BDEDLO Cn1cc[nH+]c1CCCOC(=O)CC1(C#N)CC1 ZINC000816033287 586705029 /nfs/dbraw/zinc/70/50/29/586705029.db2.gz HPZBYGXEXFFIPZ-UHFFFAOYSA-N 1 2 247.298 1.590 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816943719 586772378 /nfs/dbraw/zinc/77/23/78/586772378.db2.gz ICRZPRXVGUKPGD-UHFFFAOYSA-N 1 2 232.287 1.104 20 30 BDEDLO C#CCCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817162029 586784522 /nfs/dbraw/zinc/78/45/22/586784522.db2.gz PTMZHYMJJYLGEO-UHFFFAOYSA-N 1 2 245.326 1.911 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000817409160 586800798 /nfs/dbraw/zinc/80/07/98/586800798.db2.gz AZLYTFIUAFGETO-SSDOTTSWSA-N 1 2 211.696 1.493 20 30 BDEDLO C=C(Br)C[NH2+]C[C@H](C#N)CCC#N ZINC000818978923 586919322 /nfs/dbraw/zinc/91/93/22/586919322.db2.gz CLVPYTKROYYTRU-VIFPVBQESA-N 1 2 242.120 1.928 20 30 BDEDLO COc1c(C)c[nH+]c(CNCCC#N)c1C ZINC000818986857 586919810 /nfs/dbraw/zinc/91/98/10/586919810.db2.gz BYNSBWJCEJGZOK-UHFFFAOYSA-N 1 2 219.288 1.710 20 30 BDEDLO COc1c(C)cnc(C[NH2+]CCC#N)c1C ZINC000818986857 586919812 /nfs/dbraw/zinc/91/98/12/586919812.db2.gz BYNSBWJCEJGZOK-UHFFFAOYSA-N 1 2 219.288 1.710 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000819279805 586947082 /nfs/dbraw/zinc/94/70/82/586947082.db2.gz RSRVAVCBIHHOSK-UHFFFAOYSA-N 1 2 234.343 1.366 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1ncc(F)cn1 ZINC000819808763 586996626 /nfs/dbraw/zinc/99/66/26/586996626.db2.gz HLBBBTPHKCRLHR-UHFFFAOYSA-N 1 2 248.265 1.839 20 30 BDEDLO Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)c(C#N)c[nH+]1 ZINC000819928350 587002915 /nfs/dbraw/zinc/00/29/15/587002915.db2.gz ISRHFJRVIOWUDK-YPMHNXCESA-N 1 2 229.283 1.080 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000819971496 587009069 /nfs/dbraw/zinc/00/90/69/587009069.db2.gz JZQAQTHQSHWPCH-RKDXNWHRSA-N 1 2 217.272 1.041 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000819971496 587009070 /nfs/dbraw/zinc/00/90/70/587009070.db2.gz JZQAQTHQSHWPCH-RKDXNWHRSA-N 1 2 217.272 1.041 20 30 BDEDLO C=C(C)CCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821412948 587118774 /nfs/dbraw/zinc/11/87/74/587118774.db2.gz SVCGAQGJRLRRGJ-PLNGDYQASA-N 1 2 219.288 1.516 20 30 BDEDLO CC(C)C#CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000821957544 587147899 /nfs/dbraw/zinc/14/78/99/587147899.db2.gz DGKGXEYFQDQLRL-UHFFFAOYSA-N 1 2 245.326 1.423 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)NCC(C)(C)CC#N)c1 ZINC000822398994 587166120 /nfs/dbraw/zinc/16/61/20/587166120.db2.gz JRIZROSAGUXITH-SNAWJCMRSA-N 1 2 246.314 1.489 20 30 BDEDLO C#CC[C@H](NCc1c[nH+]cn1C(C)C)C(=O)OC ZINC000822489336 587171537 /nfs/dbraw/zinc/17/15/37/587171537.db2.gz APUKRRHGWCIZGV-LBPRGKRZSA-N 1 2 249.314 1.119 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC000822959235 587195274 /nfs/dbraw/zinc/19/52/74/587195274.db2.gz GUHVGNNFCFYPBW-CKYFFXLPSA-N 1 2 245.326 1.677 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC000822959235 587195276 /nfs/dbraw/zinc/19/52/76/587195276.db2.gz GUHVGNNFCFYPBW-CKYFFXLPSA-N 1 2 245.326 1.677 20 30 BDEDLO C#CCN(C(=O)N[C@H](C)c1[nH+]ccn1C)C1CC1 ZINC000823793763 587240681 /nfs/dbraw/zinc/24/06/81/587240681.db2.gz SKUFUTFIKVJPPO-SNVBAGLBSA-N 1 2 246.314 1.288 20 30 BDEDLO CC(C)CN(CCC#N)C(=O)Cc1[nH]cc[nH+]1 ZINC000824234550 587262232 /nfs/dbraw/zinc/26/22/32/587262232.db2.gz MRTGQXYIUSKDNQ-UHFFFAOYSA-N 1 2 234.303 1.350 20 30 BDEDLO C[C@@H](C#N)N(C(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000825104787 587305018 /nfs/dbraw/zinc/30/50/18/587305018.db2.gz DHHLNNRMFRSVID-NWPZZWLHSA-N 1 2 244.298 1.336 20 30 BDEDLO Cc1cccn2c(NC(=O)NCCC#N)c[nH+]c12 ZINC000825469491 587320573 /nfs/dbraw/zinc/32/05/73/587320573.db2.gz ZERLEANFIYAEJK-UHFFFAOYSA-N 1 2 243.270 1.678 20 30 BDEDLO CC(C)C#CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000825731616 587335057 /nfs/dbraw/zinc/33/50/57/587335057.db2.gz JMAATHRUKDXKIE-UHFFFAOYSA-N 1 2 244.294 1.331 20 30 BDEDLO C[C@@H](C#N)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826717844 587360064 /nfs/dbraw/zinc/36/00/64/587360064.db2.gz KPXIZGWAUCZTAB-GWCFXTLKSA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@@H](C#N)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826717844 587360065 /nfs/dbraw/zinc/36/00/65/587360065.db2.gz KPXIZGWAUCZTAB-GWCFXTLKSA-N 1 2 243.310 1.449 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000826822814 587363556 /nfs/dbraw/zinc/36/35/56/587363556.db2.gz IQICSCRMMLXNTK-LLVKDONJSA-N 1 2 233.315 1.786 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000827049873 587368766 /nfs/dbraw/zinc/36/87/66/587368766.db2.gz ALOJHZJATSVVPD-FYJFLYSWSA-N 1 2 245.326 1.858 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cn[nH]c1C)C1CCOCC1 ZINC000827569467 587388766 /nfs/dbraw/zinc/38/87/66/587388766.db2.gz BKLCKFYKBQXGKI-CYBMUJFWSA-N 1 2 233.315 1.236 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000828208962 587424094 /nfs/dbraw/zinc/42/40/94/587424094.db2.gz RQILTLIXWRIIDV-RKDXNWHRSA-N 1 2 239.706 1.392 20 30 BDEDLO C#CC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000828822582 587464367 /nfs/dbraw/zinc/46/43/67/587464367.db2.gz OAENGMGXTAIKNZ-UHFFFAOYSA-N 1 2 236.265 1.720 20 30 BDEDLO C#CC1(NC(=O)/C=C/c2cn(C)c[nH+]2)CCCC1 ZINC000829465608 587499044 /nfs/dbraw/zinc/49/90/44/587499044.db2.gz DVOHJESVPXMWMA-VOTSOKGWSA-N 1 2 243.310 1.496 20 30 BDEDLO C#CC[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000830360315 587547477 /nfs/dbraw/zinc/54/74/77/587547477.db2.gz DKLYDBGDCMNZQH-UHFFFAOYSA-N 1 2 229.279 1.465 20 30 BDEDLO C#CC[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000830360315 587547478 /nfs/dbraw/zinc/54/74/78/587547478.db2.gz DKLYDBGDCMNZQH-UHFFFAOYSA-N 1 2 229.279 1.465 20 30 BDEDLO CC(C)C#CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000831211848 587592060 /nfs/dbraw/zinc/59/20/60/587592060.db2.gz YFWNLBAIZOOXMM-LBPRGKRZSA-N 1 2 245.326 1.395 20 30 BDEDLO CC#CCNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867073981 587633185 /nfs/dbraw/zinc/63/31/85/587633185.db2.gz OOPZCUZYDMRHSR-SNVBAGLBSA-N 1 2 244.285 1.103 20 30 BDEDLO CC#CCNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867073981 587633187 /nfs/dbraw/zinc/63/31/87/587633187.db2.gz OOPZCUZYDMRHSR-SNVBAGLBSA-N 1 2 244.285 1.103 20 30 BDEDLO COCCON=C1CCCc2[nH+]c(N)ccc21 ZINC000834963924 587773005 /nfs/dbraw/zinc/77/30/05/587773005.db2.gz UYMZLVHTFQZRMT-UHFFFAOYSA-N 1 2 235.287 1.367 20 30 BDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C(C)C ZINC000836441413 587833373 /nfs/dbraw/zinc/83/33/73/587833373.db2.gz HADVLADIARPYAA-GHMZBOCLSA-N 1 2 246.314 1.285 20 30 BDEDLO C#C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C(C)C ZINC000836441417 587833389 /nfs/dbraw/zinc/83/33/89/587833389.db2.gz HADVLADIARPYAA-QWRGUYRKSA-N 1 2 246.314 1.285 20 30 BDEDLO NC(C[NH+]1CCSCC1)=NOC1CCCC1 ZINC000121455606 587835725 /nfs/dbraw/zinc/83/57/25/587835725.db2.gz FPDISMMMHYLSPX-UHFFFAOYSA-N 1 2 243.376 1.267 20 30 BDEDLO CCn1c[nH+]cc1C=N[N-]c1[nH+]ccn1C ZINC000841636262 587963769 /nfs/dbraw/zinc/96/37/69/587963769.db2.gz MCBYAKCENDJFFH-UHFFFAOYSA-N 1 2 218.264 1.083 20 30 BDEDLO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)n(C)n1 ZINC000841870531 587979588 /nfs/dbraw/zinc/97/95/88/587979588.db2.gz KRZGJBCBZNVTBT-CYBMUJFWSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)n(C)n1 ZINC000841870531 587979586 /nfs/dbraw/zinc/97/95/86/587979586.db2.gz KRZGJBCBZNVTBT-CYBMUJFWSA-N 1 2 232.331 1.854 20 30 BDEDLO C[C@@H]1CC(=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)CO1 ZINC000842529134 588033776 /nfs/dbraw/zinc/03/37/76/588033776.db2.gz PGXLVZXQJFWJPD-FBIMIBRVSA-N 1 2 236.319 1.011 20 30 BDEDLO C[C@@H]1CC(=N[NH+]=C2N[C@@H]3CCCC[C@H]3N2)CO1 ZINC000842529134 588033778 /nfs/dbraw/zinc/03/37/78/588033778.db2.gz PGXLVZXQJFWJPD-FBIMIBRVSA-N 1 2 236.319 1.011 20 30 BDEDLO C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CO1 ZINC000842529134 588033780 /nfs/dbraw/zinc/03/37/80/588033780.db2.gz PGXLVZXQJFWJPD-FBIMIBRVSA-N 1 2 236.319 1.011 20 30 BDEDLO CC(C)Cn1nccc1C=NNc1[nH+]ccn1C ZINC000842531829 588034324 /nfs/dbraw/zinc/03/43/24/588034324.db2.gz MRKLXYFKYYENNT-UHFFFAOYSA-N 1 2 246.318 1.719 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000844006754 588155483 /nfs/dbraw/zinc/15/54/83/588155483.db2.gz ZQWHYPPPUUBRGS-GFCCVEGCSA-N 1 2 245.326 1.225 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000844282875 588180386 /nfs/dbraw/zinc/18/03/86/588180386.db2.gz YKPSQXNGXLDBAD-VHSXEESVSA-N 1 2 238.291 1.077 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C=C1CCCCC1 ZINC000844528623 588200812 /nfs/dbraw/zinc/20/08/12/588200812.db2.gz KHOFFCJLPRVCKM-CQSZACIVSA-N 1 2 249.358 1.837 20 30 BDEDLO CC(C)=C(C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844527874 588200848 /nfs/dbraw/zinc/20/08/48/588200848.db2.gz CUVWXZMDGSYJAU-GFCCVEGCSA-N 1 2 223.320 1.303 20 30 BDEDLO C[C@H](CC(=O)O[C@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000845479183 588229909 /nfs/dbraw/zinc/22/99/09/588229909.db2.gz JTKQDHXEVPKAHR-MWLCHTKSSA-N 1 2 233.271 1.680 20 30 BDEDLO C[C@@H](CC(=O)OCC(C)(C)C#N)n1cc[nH+]c1 ZINC000845512083 588231375 /nfs/dbraw/zinc/23/13/75/588231375.db2.gz ZSPDUBLMKXAOTJ-JTQLQIEISA-N 1 2 235.287 1.927 20 30 BDEDLO CCN1C[C@@H](C[N@H+](CC)CCC#N)OC1=O ZINC000846810799 588290296 /nfs/dbraw/zinc/29/02/96/588290296.db2.gz HTGHLAYOOCCUCG-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO CCN1C[C@@H](C[N@@H+](CC)CCC#N)OC1=O ZINC000846810799 588290297 /nfs/dbraw/zinc/29/02/97/588290297.db2.gz HTGHLAYOOCCUCG-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000847018358 588302004 /nfs/dbraw/zinc/30/20/04/588302004.db2.gz JUCMEOCLSNLDTO-LBPRGKRZSA-N 1 2 246.358 1.878 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000847018358 588302005 /nfs/dbraw/zinc/30/20/05/588302005.db2.gz JUCMEOCLSNLDTO-LBPRGKRZSA-N 1 2 246.358 1.878 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2noc(CCC)n2)C1 ZINC000847021837 588302698 /nfs/dbraw/zinc/30/26/98/588302698.db2.gz BUDZJLYMOXHZTL-LLVKDONJSA-N 1 2 233.315 1.867 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2noc(CCC)n2)C1 ZINC000847021837 588302699 /nfs/dbraw/zinc/30/26/99/588302699.db2.gz BUDZJLYMOXHZTL-LLVKDONJSA-N 1 2 233.315 1.867 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000847021524 588302922 /nfs/dbraw/zinc/30/29/22/588302922.db2.gz NPCOFBRBEKHKSM-LBPRGKRZSA-N 1 2 223.316 1.531 20 30 BDEDLO C#C[C@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000847021524 588302923 /nfs/dbraw/zinc/30/29/23/588302923.db2.gz NPCOFBRBEKHKSM-LBPRGKRZSA-N 1 2 223.316 1.531 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000847038878 588304800 /nfs/dbraw/zinc/30/48/00/588304800.db2.gz ZBLJGLZOHWXMDS-MRVPVSSYSA-N 1 2 241.241 1.852 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000847038878 588304801 /nfs/dbraw/zinc/30/48/01/588304801.db2.gz ZBLJGLZOHWXMDS-MRVPVSSYSA-N 1 2 241.241 1.852 20 30 BDEDLO Cn1cc[nH+]c1CCCOC(=O)CCCCC#N ZINC000847691074 588326481 /nfs/dbraw/zinc/32/64/81/588326481.db2.gz ONGUKQHGJIKTIQ-UHFFFAOYSA-N 1 2 249.314 1.980 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000848274723 588369378 /nfs/dbraw/zinc/36/93/78/588369378.db2.gz CNVCVEMVIUPIIO-NEPJUHHUSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000848274723 588369380 /nfs/dbraw/zinc/36/93/80/588369380.db2.gz CNVCVEMVIUPIIO-NEPJUHHUSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000848274942 588369596 /nfs/dbraw/zinc/36/95/96/588369596.db2.gz GLVVSMVVDSAINQ-QWHCGFSZSA-N 1 2 245.326 1.706 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000848279031 588369807 /nfs/dbraw/zinc/36/98/07/588369807.db2.gz PFCKKPAPCKPOGZ-LLVKDONJSA-N 1 2 231.299 1.214 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000848279031 588369809 /nfs/dbraw/zinc/36/98/09/588369809.db2.gz PFCKKPAPCKPOGZ-LLVKDONJSA-N 1 2 231.299 1.214 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(C)on1 ZINC000848417300 588381386 /nfs/dbraw/zinc/38/13/86/588381386.db2.gz SZGSGQZJXQFRJZ-UHFFFAOYSA-N 1 2 247.302 1.583 20 30 BDEDLO Fc1ccc(C=NNCCCn2cc[nH+]c2)cn1 ZINC000848417154 588381693 /nfs/dbraw/zinc/38/16/93/588381693.db2.gz MQFMZYWFSHNPJW-UHFFFAOYSA-N 1 2 247.277 1.431 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000848416247 588381702 /nfs/dbraw/zinc/38/17/02/588381702.db2.gz DNPLCXKROWXRQH-SNVBAGLBSA-N 1 2 242.273 1.894 20 30 BDEDLO CC(N=NCCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000848418571 588382131 /nfs/dbraw/zinc/38/21/31/588382131.db2.gz PYFQZNIZNHCEKX-LBPRGKRZSA-N 1 2 236.319 1.275 20 30 BDEDLO Cn1ccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000848417560 588382423 /nfs/dbraw/zinc/38/24/23/588382423.db2.gz BJRFDSKCLZZYCF-UHFFFAOYSA-N 1 2 231.303 1.235 20 30 BDEDLO N#Cc1ccc(C=NNCCCn2cc[nH+]c2)o1 ZINC000848417529 588382436 /nfs/dbraw/zinc/38/24/36/588382436.db2.gz ATSDLXRMEKRLNS-UHFFFAOYSA-N 1 2 243.270 1.362 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cncs1 ZINC000848419068 588382479 /nfs/dbraw/zinc/38/24/79/588382479.db2.gz XXQCAITYIVVOKM-UHFFFAOYSA-N 1 2 249.343 1.744 20 30 BDEDLO C#CC[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000848708644 588407104 /nfs/dbraw/zinc/40/71/04/588407104.db2.gz ZMJHPRIDWUTUIT-JTQLQIEISA-N 1 2 217.272 1.150 20 30 BDEDLO C#CCOCCN1CC[NH+](Cc2ccco2)CC1 ZINC000851718089 588616122 /nfs/dbraw/zinc/61/61/22/588616122.db2.gz SVTQJUXWLOUAMP-UHFFFAOYSA-N 1 2 248.326 1.047 20 30 BDEDLO C#CCOCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000851775996 588626687 /nfs/dbraw/zinc/62/66/87/588626687.db2.gz CFYDDWTUIRMTLD-LBPRGKRZSA-N 1 2 235.283 1.303 20 30 BDEDLO C#CCOCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000851775996 588626688 /nfs/dbraw/zinc/62/66/88/588626688.db2.gz CFYDDWTUIRMTLD-LBPRGKRZSA-N 1 2 235.283 1.303 20 30 BDEDLO C#CCOCC[N@@H+]([C@@H](C)C(=O)OCC)C1CC1 ZINC000851976577 588650349 /nfs/dbraw/zinc/65/03/49/588650349.db2.gz WPCMESNOZDUSQW-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCOCC[N@H+]([C@@H](C)C(=O)OCC)C1CC1 ZINC000851976577 588650350 /nfs/dbraw/zinc/65/03/50/588650350.db2.gz WPCMESNOZDUSQW-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000851990763 588653247 /nfs/dbraw/zinc/65/32/47/588653247.db2.gz VYGCMENJCKWQCV-ZETCQYMHSA-N 1 2 223.232 1.345 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000851990763 588653248 /nfs/dbraw/zinc/65/32/48/588653248.db2.gz VYGCMENJCKWQCV-ZETCQYMHSA-N 1 2 223.232 1.345 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(CCC)n1 ZINC000852100046 588662711 /nfs/dbraw/zinc/66/27/11/588662711.db2.gz SAKIYBXARJAROH-GFCCVEGCSA-N 1 2 221.304 1.914 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(COC)n1 ZINC000852101843 588662983 /nfs/dbraw/zinc/66/29/83/588662983.db2.gz VBDTZHXKMWGFDD-LLVKDONJSA-N 1 2 223.276 1.108 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852277921 588675608 /nfs/dbraw/zinc/67/56/08/588675608.db2.gz SALDETKZYUHQPM-ZJUUUORDSA-N 1 2 234.303 1.192 20 30 BDEDLO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000852318781 588677946 /nfs/dbraw/zinc/67/79/46/588677946.db2.gz BBQOOFXHMVSNEG-LBPRGKRZSA-N 1 2 247.346 1.732 20 30 BDEDLO CCn1nc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000852318781 588677947 /nfs/dbraw/zinc/67/79/47/588677947.db2.gz BBQOOFXHMVSNEG-LBPRGKRZSA-N 1 2 247.346 1.732 20 30 BDEDLO CC[N@H+](CCCN1CCOC1=O)[C@@H](C)C#N ZINC000852642287 588693785 /nfs/dbraw/zinc/69/37/85/588693785.db2.gz ZJRAVUGQERUJDI-JTQLQIEISA-N 1 2 225.292 1.063 20 30 BDEDLO CC[N@@H+](CCCN1CCOC1=O)[C@@H](C)C#N ZINC000852642287 588693786 /nfs/dbraw/zinc/69/37/86/588693786.db2.gz ZJRAVUGQERUJDI-JTQLQIEISA-N 1 2 225.292 1.063 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000852653736 588694190 /nfs/dbraw/zinc/69/41/90/588694190.db2.gz ZSVRHEKYQXHZIF-JTQLQIEISA-N 1 2 245.754 1.427 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000852653736 588694191 /nfs/dbraw/zinc/69/41/91/588694191.db2.gz ZSVRHEKYQXHZIF-JTQLQIEISA-N 1 2 245.754 1.427 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000861340807 589161390 /nfs/dbraw/zinc/16/13/90/589161390.db2.gz KMTWGXYRVQPFJS-NWDGAFQWSA-N 1 2 245.326 1.234 20 30 BDEDLO Cc1c(F)nccc1C[NH+]1CCN(CC#N)CC1 ZINC000862238310 589195983 /nfs/dbraw/zinc/19/59/83/589195983.db2.gz SPMLMNKPQWODRT-UHFFFAOYSA-N 1 2 248.305 1.170 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000862565805 589222872 /nfs/dbraw/zinc/22/28/72/589222872.db2.gz WRPYAOJVAAERME-CYBMUJFWSA-N 1 2 245.326 1.535 20 30 BDEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cn2)on1 ZINC000865537200 589444334 /nfs/dbraw/zinc/44/43/34/589444334.db2.gz CNSDFBXCANAEGA-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO C=CC[C@H](CO)CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865656590 589454491 /nfs/dbraw/zinc/45/44/91/589454491.db2.gz QHZOYOZALFXIIH-QWRGUYRKSA-N 1 2 236.315 1.731 20 30 BDEDLO C[C@@H]([NH2+]C[C@H](C)O)c1cccc(C#N)c1O ZINC000866212568 589480860 /nfs/dbraw/zinc/48/08/60/589480860.db2.gz SYBGSUOEJBYEKA-DTWKUNHWSA-N 1 2 220.272 1.295 20 30 BDEDLO C[C@@H]([NH2+]CC1(C)COC1)c1cccc(C#N)c1O ZINC000866264963 589483731 /nfs/dbraw/zinc/48/37/31/589483731.db2.gz HHOGQGFJYPBMIB-SNVBAGLBSA-N 1 2 246.310 1.951 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cccc(C#N)c1O ZINC000866287544 589484448 /nfs/dbraw/zinc/48/44/48/589484448.db2.gz OFSVOPVDHDLYBI-DTWKUNHWSA-N 1 2 247.298 1.178 20 30 BDEDLO C#C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867501042 589522825 /nfs/dbraw/zinc/52/28/25/589522825.db2.gz BWORIYSNGUIAPB-ZJUUUORDSA-N 1 2 244.285 1.101 20 30 BDEDLO C#C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867501042 589522826 /nfs/dbraw/zinc/52/28/26/589522826.db2.gz BWORIYSNGUIAPB-ZJUUUORDSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CCCOC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867714040 589531597 /nfs/dbraw/zinc/53/15/97/589531597.db2.gz VOMNGHOKMPJMDQ-NSHDSACASA-N 1 2 242.294 1.170 20 30 BDEDLO C#CCCOC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867714040 589531598 /nfs/dbraw/zinc/53/15/98/589531598.db2.gz VOMNGHOKMPJMDQ-NSHDSACASA-N 1 2 242.294 1.170 20 30 BDEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c32)co1 ZINC000868619194 589568372 /nfs/dbraw/zinc/56/83/72/589568372.db2.gz AYVNQLQRTBFJDS-SNVBAGLBSA-N 1 2 242.238 1.223 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(C#N)o1 ZINC000871735292 589801488 /nfs/dbraw/zinc/80/14/88/589801488.db2.gz ODSIQGAFXMGOKA-ZETCQYMHSA-N 1 2 223.232 1.185 20 30 BDEDLO C(=NN[C@H]1CCSC1)c1c[nH]c2nc[nH+]cc12 ZINC000872373640 589924227 /nfs/dbraw/zinc/92/42/27/589924227.db2.gz IDGVLACMIWLLGV-VIFPVBQESA-N 1 2 247.327 1.339 20 30 BDEDLO Cc1ccnc(N)c1C=[NH+]N[C@@H](C)C(F)(F)F ZINC000872381055 589927976 /nfs/dbraw/zinc/92/79/76/589927976.db2.gz VXMIWTBUXUBPQT-ZETCQYMHSA-N 1 2 246.236 1.847 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872601328 589955895 /nfs/dbraw/zinc/95/58/95/589955895.db2.gz PCNGRMIDWXLGLK-VXGBXAGGSA-N 1 2 235.331 1.188 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872601328 589955897 /nfs/dbraw/zinc/95/58/97/589955897.db2.gz PCNGRMIDWXLGLK-VXGBXAGGSA-N 1 2 235.331 1.188 20 30 BDEDLO CC[N@H+](CCO)Cc1cc(C#N)cnc1Cl ZINC000876526890 590208840 /nfs/dbraw/zinc/20/88/40/590208840.db2.gz JVNFAZFTBNESQW-UHFFFAOYSA-N 1 2 239.706 1.421 20 30 BDEDLO CC[N@@H+](CCO)Cc1cc(C#N)cnc1Cl ZINC000876526890 590208842 /nfs/dbraw/zinc/20/88/42/590208842.db2.gz JVNFAZFTBNESQW-UHFFFAOYSA-N 1 2 239.706 1.421 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000876734420 590234061 /nfs/dbraw/zinc/23/40/61/590234061.db2.gz SEOFVFGNGRMFEU-TZMCWYRMSA-N 1 2 246.358 1.598 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000876734420 590234063 /nfs/dbraw/zinc/23/40/63/590234063.db2.gz SEOFVFGNGRMFEU-TZMCWYRMSA-N 1 2 246.358 1.598 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)ns1 ZINC000876750797 590237656 /nfs/dbraw/zinc/23/76/56/590237656.db2.gz WKSXTAKUHLSZAS-UHFFFAOYSA-N 1 2 218.325 1.910 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(C)ns1 ZINC000876750797 590237657 /nfs/dbraw/zinc/23/76/57/590237657.db2.gz WKSXTAKUHLSZAS-UHFFFAOYSA-N 1 2 218.325 1.910 20 30 BDEDLO COC(=O)c1csc(C[NH2+][C@H](C)CC#N)c1 ZINC000877320325 590315515 /nfs/dbraw/zinc/31/55/15/590315515.db2.gz XRHLDDCRJGKAMV-MRVPVSSYSA-N 1 2 238.312 1.926 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000877321119 590315563 /nfs/dbraw/zinc/31/55/63/590315563.db2.gz FISAUIQWIMAEGV-LLVKDONJSA-N 1 2 242.326 1.874 20 30 BDEDLO C[C@H](CO)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877527157 590348082 /nfs/dbraw/zinc/34/80/82/590348082.db2.gz PNUSIUCEDAYWMQ-MRVPVSSYSA-N 1 2 239.706 1.419 20 30 BDEDLO C[C@H](CO)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877527157 590348084 /nfs/dbraw/zinc/34/80/84/590348084.db2.gz PNUSIUCEDAYWMQ-MRVPVSSYSA-N 1 2 239.706 1.419 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H](CC(C)C)OC)C(=O)OC ZINC000877584109 590366720 /nfs/dbraw/zinc/36/67/20/590366720.db2.gz XFCYAAHQBGXYJP-RYUDHWBXSA-N 1 2 241.331 1.202 20 30 BDEDLO C#CCCCCCC[NH2+]CC(=O)NOCC ZINC000877613444 590373347 /nfs/dbraw/zinc/37/33/47/590373347.db2.gz JAHCUHLTWBWOBN-UHFFFAOYSA-N 1 2 226.320 1.227 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000877689951 590392191 /nfs/dbraw/zinc/39/21/91/590392191.db2.gz MCUAZSZKDXMZIQ-NEPJUHHUSA-N 1 2 239.315 1.777 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877711572 590398533 /nfs/dbraw/zinc/39/85/33/590398533.db2.gz PLDNILFMPHDKHZ-ZSBIGDGJSA-N 1 2 236.315 1.421 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877711572 590398535 /nfs/dbraw/zinc/39/85/35/590398535.db2.gz PLDNILFMPHDKHZ-ZSBIGDGJSA-N 1 2 236.315 1.421 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@H](C)CCC#N ZINC000877710641 590398796 /nfs/dbraw/zinc/39/87/96/590398796.db2.gz QFOWBUBQTHPVEA-LLVKDONJSA-N 1 2 237.303 1.315 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@H](C)CCC#N ZINC000877710641 590398799 /nfs/dbraw/zinc/39/87/99/590398799.db2.gz QFOWBUBQTHPVEA-LLVKDONJSA-N 1 2 237.303 1.315 20 30 BDEDLO N#CCN(Cc1[nH+]ccn1CC(F)F)C1CC1 ZINC000878032373 590475851 /nfs/dbraw/zinc/47/58/51/590475851.db2.gz KGOKZBTUTJIMHT-UHFFFAOYSA-N 1 2 240.257 1.636 20 30 BDEDLO CC(C)(O)C[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000878121689 590499370 /nfs/dbraw/zinc/49/93/70/590499370.db2.gz WBLOVWOPJMTXKP-LBPRGKRZSA-N 1 2 240.347 1.276 20 30 BDEDLO CC(C)(O)C[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000878121689 590499372 /nfs/dbraw/zinc/49/93/72/590499372.db2.gz WBLOVWOPJMTXKP-LBPRGKRZSA-N 1 2 240.347 1.276 20 30 BDEDLO C#CCN(CC#C)Cc1[nH+]ccn1CC(F)F ZINC000878151982 590508135 /nfs/dbraw/zinc/50/81/35/590508135.db2.gz FYZUSWYZWAAMGJ-UHFFFAOYSA-N 1 2 237.253 1.217 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000878385780 590558806 /nfs/dbraw/zinc/55/88/06/590558806.db2.gz RWRAVAVQIXHEAS-NEPJUHHUSA-N 1 2 241.331 1.461 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000878385780 590558807 /nfs/dbraw/zinc/55/88/07/590558807.db2.gz RWRAVAVQIXHEAS-NEPJUHHUSA-N 1 2 241.331 1.461 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878516178 590584702 /nfs/dbraw/zinc/58/47/02/590584702.db2.gz ADUNXZWGLGJECZ-NSHDSACASA-N 1 2 245.388 1.543 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878516178 590584703 /nfs/dbraw/zinc/58/47/03/590584703.db2.gz ADUNXZWGLGJECZ-NSHDSACASA-N 1 2 245.388 1.543 20 30 BDEDLO CC1(C#N)CN(Cc2[nH+]ccn2CC(F)F)C1 ZINC000878544881 590589901 /nfs/dbraw/zinc/58/99/01/590589901.db2.gz AOGDOCOYPCYBQU-UHFFFAOYSA-N 1 2 240.257 1.494 20 30 BDEDLO C#CCN(CC#N)Cc1[nH+]ccn1CC(F)F ZINC000878553308 590591410 /nfs/dbraw/zinc/59/14/10/590591410.db2.gz XSCDIVBISUNVMB-UHFFFAOYSA-N 1 2 238.241 1.107 20 30 BDEDLO C=CC[N@@H+](CCC#N)CC[C@H](O)C(C)C ZINC000878639245 590598790 /nfs/dbraw/zinc/59/87/90/590598790.db2.gz FVZVXZYTRCNSNW-LBPRGKRZSA-N 1 2 210.321 1.795 20 30 BDEDLO C=CC[N@H+](CCC#N)CC[C@H](O)C(C)C ZINC000878639245 590598792 /nfs/dbraw/zinc/59/87/92/590598792.db2.gz FVZVXZYTRCNSNW-LBPRGKRZSA-N 1 2 210.321 1.795 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1ncccc1C ZINC000878656356 590603238 /nfs/dbraw/zinc/60/32/38/590603238.db2.gz MSVTZZXPPYSWGI-UHFFFAOYSA-N 1 2 231.299 1.284 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000878656356 590603239 /nfs/dbraw/zinc/60/32/39/590603239.db2.gz MSVTZZXPPYSWGI-UHFFFAOYSA-N 1 2 231.299 1.284 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000878663926 590605563 /nfs/dbraw/zinc/60/55/63/590605563.db2.gz UDUBKWPCUPUXLI-DTWKUNHWSA-N 1 2 201.241 1.148 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000878663926 590605564 /nfs/dbraw/zinc/60/55/64/590605564.db2.gz UDUBKWPCUPUXLI-DTWKUNHWSA-N 1 2 201.241 1.148 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000878664537 590606125 /nfs/dbraw/zinc/60/61/25/590606125.db2.gz KQZLGIPUMAECOU-VHSXEESVSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000878664538 590606127 /nfs/dbraw/zinc/60/61/27/590606127.db2.gz KQZLGIPUMAECOU-ZJUUUORDSA-N 1 2 227.304 1.261 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878704422 590612443 /nfs/dbraw/zinc/61/24/43/590612443.db2.gz AOXDZFDEGKPHIS-QWHCGFSZSA-N 1 2 235.327 1.280 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878704422 590612444 /nfs/dbraw/zinc/61/24/44/590612444.db2.gz AOXDZFDEGKPHIS-QWHCGFSZSA-N 1 2 235.327 1.280 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000878705782 590612785 /nfs/dbraw/zinc/61/27/85/590612785.db2.gz IKCYDAKCYCMVPJ-MXWKQRLJSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878790925 590623475 /nfs/dbraw/zinc/62/34/75/590623475.db2.gz YBAGZLUWLGIWLA-LLVKDONJSA-N 1 2 240.734 1.602 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878790925 590623477 /nfs/dbraw/zinc/62/34/77/590623477.db2.gz YBAGZLUWLGIWLA-LLVKDONJSA-N 1 2 240.734 1.602 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793894 590624391 /nfs/dbraw/zinc/62/43/91/590624391.db2.gz XCEANIJSIJLHAV-SECBINFHSA-N 1 2 228.723 1.506 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793894 590624397 /nfs/dbraw/zinc/62/43/97/590624397.db2.gz XCEANIJSIJLHAV-SECBINFHSA-N 1 2 228.723 1.506 20 30 BDEDLO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000878817666 590627236 /nfs/dbraw/zinc/62/72/36/590627236.db2.gz XGFGKDLLAXOTPB-RYUDHWBXSA-N 1 2 239.363 1.963 20 30 BDEDLO C=CC(C)(C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000878849501 590633317 /nfs/dbraw/zinc/63/33/17/590633317.db2.gz OAMNPYXSVUIJCX-UHFFFAOYSA-N 1 2 233.315 1.869 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(C)n1)C1CSC1 ZINC000878909542 590645873 /nfs/dbraw/zinc/64/58/73/590645873.db2.gz FNWTUMLRBHASPT-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(C)n1)C1CSC1 ZINC000878909542 590645877 /nfs/dbraw/zinc/64/58/77/590645877.db2.gz FNWTUMLRBHASPT-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878975686 590667018 /nfs/dbraw/zinc/66/70/18/590667018.db2.gz GBEILSJCBXFWBI-NEPJUHHUSA-N 1 2 246.314 1.542 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878975686 590667020 /nfs/dbraw/zinc/66/70/20/590667020.db2.gz GBEILSJCBXFWBI-NEPJUHHUSA-N 1 2 246.314 1.542 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)CCO[C@@H](C)C#N ZINC000879188121 590710847 /nfs/dbraw/zinc/71/08/47/590710847.db2.gz HMJMSJHOSAVFJF-VIFPVBQESA-N 1 2 222.292 1.079 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)CCO[C@@H](C)C#N ZINC000879188121 590710849 /nfs/dbraw/zinc/71/08/49/590710849.db2.gz HMJMSJHOSAVFJF-VIFPVBQESA-N 1 2 222.292 1.079 20 30 BDEDLO COC(C[N@H+](C)[C@@H]1CCC[C@H]1C#N)OC ZINC000879311716 590728889 /nfs/dbraw/zinc/72/88/89/590728889.db2.gz UEECVOPYXBNPIK-VHSXEESVSA-N 1 2 212.293 1.229 20 30 BDEDLO COC(C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)OC ZINC000879311716 590728893 /nfs/dbraw/zinc/72/88/93/590728893.db2.gz UEECVOPYXBNPIK-VHSXEESVSA-N 1 2 212.293 1.229 20 30 BDEDLO C[N@H+](C[C@H](O)c1ccccn1)[C@H]1CCC[C@@H]1C#N ZINC000879310629 590734894 /nfs/dbraw/zinc/73/48/94/590734894.db2.gz XRNDHGXDBXYZCA-XBFCOCLRSA-N 1 2 245.326 1.739 20 30 BDEDLO C[N@@H+](C[C@H](O)c1ccccn1)[C@H]1CCC[C@@H]1C#N ZINC000879310629 590734900 /nfs/dbraw/zinc/73/49/00/590734900.db2.gz XRNDHGXDBXYZCA-XBFCOCLRSA-N 1 2 245.326 1.739 20 30 BDEDLO C=CC[C@@H](C)[N@@H+](CC#N)CCC(=O)OC ZINC000879472019 590774635 /nfs/dbraw/zinc/77/46/35/590774635.db2.gz NCFQPMJMTAIHCI-SNVBAGLBSA-N 1 2 210.277 1.340 20 30 BDEDLO C=CC[C@@H](C)[N@H+](CC#N)CCC(=O)OC ZINC000879472019 590774638 /nfs/dbraw/zinc/77/46/38/590774638.db2.gz NCFQPMJMTAIHCI-SNVBAGLBSA-N 1 2 210.277 1.340 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000879553038 590799612 /nfs/dbraw/zinc/79/96/12/590799612.db2.gz URRMJTZOGBFLAJ-LLVKDONJSA-N 1 2 247.342 1.916 20 30 BDEDLO CC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879587426 590824501 /nfs/dbraw/zinc/82/45/01/590824501.db2.gz UDSYRXYHZYRDLQ-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763195 590866214 /nfs/dbraw/zinc/86/62/14/590866214.db2.gz CGPRCMQRCAPXBM-SNVBAGLBSA-N 1 2 248.248 1.153 20 30 BDEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763195 590866217 /nfs/dbraw/zinc/86/62/17/590866217.db2.gz CGPRCMQRCAPXBM-SNVBAGLBSA-N 1 2 248.248 1.153 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CCCCCC)CC1 ZINC000128238874 590940217 /nfs/dbraw/zinc/94/02/17/590940217.db2.gz YFJIYBRJKKNLJF-UHFFFAOYSA-N 1 2 236.359 1.734 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)CCC)CC1 ZINC000128380173 591014078 /nfs/dbraw/zinc/01/40/78/591014078.db2.gz CUTDQGZUHNTGSY-GFCCVEGCSA-N 1 2 222.332 1.200 20 30 BDEDLO Cc1nc(C#N)cc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000881989109 591286115 /nfs/dbraw/zinc/28/61/15/591286115.db2.gz YCRKBVKGXCJFGX-UHFFFAOYSA-N 1 2 228.259 1.016 20 30 BDEDLO C#CCC[C@H](O)CNc1nc[nH+]c(C)c1C ZINC000882310165 591327913 /nfs/dbraw/zinc/32/79/13/591327913.db2.gz DXRXRTGZIWSIME-NSHDSACASA-N 1 2 219.288 1.280 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc(CO)cc[nH+]1 ZINC000882671110 591408733 /nfs/dbraw/zinc/40/87/33/591408733.db2.gz ITFINBJDWXXMAW-GFCCVEGCSA-N 1 2 234.299 1.414 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000129864179 591414741 /nfs/dbraw/zinc/41/47/41/591414741.db2.gz OHIGOHPFZZTFKO-ZIAGYGMSSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CCC1(O)CCN(c2[nH+]cccc2OC)CC1 ZINC000882967530 591486649 /nfs/dbraw/zinc/48/66/49/591486649.db2.gz JUBCWBPXUDMBPQ-UHFFFAOYSA-N 1 2 246.310 1.445 20 30 BDEDLO C#CCC1(O)CCN(c2cc[nH+]cc2F)CC1 ZINC000882967651 591487216 /nfs/dbraw/zinc/48/72/16/591487216.db2.gz NTQFPVHEZHFHLH-UHFFFAOYSA-N 1 2 234.274 1.575 20 30 BDEDLO C=CCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800159477 591829537 /nfs/dbraw/zinc/82/95/37/591829537.db2.gz NKHUWYMVKQRILI-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=CCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800159477 591829539 /nfs/dbraw/zinc/82/95/39/591829539.db2.gz NKHUWYMVKQRILI-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C#CCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800214644 591840389 /nfs/dbraw/zinc/84/03/89/591840389.db2.gz OWGSPYLMUHOSCE-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800214644 591840392 /nfs/dbraw/zinc/84/03/92/591840392.db2.gz OWGSPYLMUHOSCE-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CCOCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000133797381 591859107 /nfs/dbraw/zinc/85/91/07/591859107.db2.gz GXPYWFJCAUISGX-UHFFFAOYSA-N 1 2 218.256 1.368 20 30 BDEDLO C#CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886136050 592161072 /nfs/dbraw/zinc/16/10/72/592161072.db2.gz DNRCTGVHIKTHIY-UHFFFAOYSA-N 1 2 231.255 1.587 20 30 BDEDLO C#CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886136050 592161073 /nfs/dbraw/zinc/16/10/73/592161073.db2.gz DNRCTGVHIKTHIY-UHFFFAOYSA-N 1 2 231.255 1.587 20 30 BDEDLO C=CCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887073645 592435278 /nfs/dbraw/zinc/43/52/78/592435278.db2.gz DCJIVOLEKSKAQM-VIFPVBQESA-N 1 2 215.318 1.153 20 30 BDEDLO C=CCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887073645 592435283 /nfs/dbraw/zinc/43/52/83/592435283.db2.gz DCJIVOLEKSKAQM-VIFPVBQESA-N 1 2 215.318 1.153 20 30 BDEDLO C=CCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000308839852 631680553 /nfs/dbraw/zinc/68/05/53/631680553.db2.gz MYWCXTNWUKRYNU-UHFFFAOYSA-N 1 2 206.245 1.673 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccs1)[C@H]1CCCO1 ZINC000308843469 631690013 /nfs/dbraw/zinc/69/00/13/631690013.db2.gz OEILXFHLIMFJTO-VHSXEESVSA-N 1 2 222.313 1.414 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C)C1 ZINC000949609165 631696050 /nfs/dbraw/zinc/69/60/50/631696050.db2.gz ZSLUQCIWKXJAPG-PWSUYJOCSA-N 1 2 222.332 1.361 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)C(C)C ZINC000309001441 631801563 /nfs/dbraw/zinc/80/15/63/631801563.db2.gz LOFCAUYHFNVSPN-JTQLQIEISA-N 1 2 232.349 1.091 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C)s1 ZINC000934461571 631857623 /nfs/dbraw/zinc/85/76/23/631857623.db2.gz YTJFTMXBQKDMJU-VIFPVBQESA-N 1 2 209.318 1.997 20 30 BDEDLO 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ZINC000892927923 633731099 /nfs/dbraw/zinc/73/10/99/633731099.db2.gz HURSRQBSSMNERT-UHFFFAOYSA-N 1 2 222.292 1.523 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cnnn1C ZINC000926873555 633757734 /nfs/dbraw/zinc/75/77/34/633757734.db2.gz GPLUBSGFZQNTHH-JTQLQIEISA-N 1 2 233.319 1.550 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931328645 634351183 /nfs/dbraw/zinc/35/11/83/634351183.db2.gz FOGKZNVENNECQJ-JTQLQIEISA-N 1 2 242.282 1.985 20 30 BDEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000928625188 636216272 /nfs/dbraw/zinc/21/62/72/636216272.db2.gz MFZUJVMJLPSPNF-LLVKDONJSA-N 1 2 233.315 1.459 20 30 BDEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000928625188 636216293 /nfs/dbraw/zinc/21/62/93/636216293.db2.gz MFZUJVMJLPSPNF-LLVKDONJSA-N 1 2 233.315 1.459 20 30 BDEDLO C=C1CC(C)(c2noc(Cn3cc[nH+]c3)n2)C1 ZINC000896916515 636257495 /nfs/dbraw/zinc/25/74/95/636257495.db2.gz YHXSEYJPJIAAJG-UHFFFAOYSA-N 1 2 230.271 1.922 20 30 BDEDLO NC(=[NH+]OCCCCCCO)c1ccccc1 ZINC000179254488 636771861 /nfs/dbraw/zinc/77/18/61/636771861.db2.gz RMSBPUGJKUGBKZ-UHFFFAOYSA-N 1 2 236.315 1.876 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866391602 636884629 /nfs/dbraw/zinc/88/46/29/636884629.db2.gz LRXLJXQYTAYTKZ-SUZMYJTESA-N 1 2 237.274 1.595 20 30 BDEDLO CCCCCCCNC(=O)Cn1cc[nH+]c1 ZINC000043061421 637705970 /nfs/dbraw/zinc/70/59/70/637705970.db2.gz ZOJSQWUSBUWQLS-UHFFFAOYSA-N 1 2 223.320 1.970 20 30 BDEDLO N#CCC[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000905634667 637864953 /nfs/dbraw/zinc/86/49/53/637864953.db2.gz SFCRGLFDDROLLD-OLZOCXBDSA-N 1 2 216.284 1.538 20 30 BDEDLO C=CC[C@H]([NH2+]CC1(COC)CC1)C(=O)OC ZINC000905781750 637909954 /nfs/dbraw/zinc/90/99/54/637909954.db2.gz YZMCQYQQYFHCBH-JTQLQIEISA-N 1 2 227.304 1.120 20 30 BDEDLO C=CC[C@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000905763864 637918742 /nfs/dbraw/zinc/91/87/42/637918742.db2.gz SUYZQJOYNBBQGP-JTQLQIEISA-N 1 2 227.304 1.263 20 30 BDEDLO C=CC[C@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000905763243 637919553 /nfs/dbraw/zinc/91/95/53/637919553.db2.gz MCKZCTIWRMXUBS-VIFPVBQESA-N 1 2 229.345 1.589 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000905769750 637925227 /nfs/dbraw/zinc/92/52/27/637925227.db2.gz IVMOPFSMFLZOON-JQWIXIFHSA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCC)C1)C(=O)OC ZINC000905770205 637925456 /nfs/dbraw/zinc/92/54/56/637925456.db2.gz AXWAXSVJVHFWSP-AXFHLTTASA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000905770005 637925523 /nfs/dbraw/zinc/92/55/23/637925523.db2.gz LHGZLYKUZGQBHY-QWRGUYRKSA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000905771308 637927850 /nfs/dbraw/zinc/92/78/50/637927850.db2.gz SCQMEQMPISEGSN-BDAKNGLRSA-N 1 2 203.257 1.442 20 30 BDEDLO C=CC[C@H]([NH2+]CCC(C)(C)F)C(=O)OC ZINC000905774518 637929195 /nfs/dbraw/zinc/92/91/95/637929195.db2.gz PJZCTXBIHNQJDN-VIFPVBQESA-N 1 2 217.284 1.832 20 30 BDEDLO N#CCC[NH+]1CC(CC2CCOCC2)C1 ZINC000905976674 637994005 /nfs/dbraw/zinc/99/40/05/637994005.db2.gz FRVWXIVTJFIWEG-UHFFFAOYSA-N 1 2 208.305 1.649 20 30 BDEDLO Cc1cc(C)c(C(=O)N[C@@H](C)C#N)c(C)[nH+]1 ZINC000906429169 638167622 /nfs/dbraw/zinc/16/76/22/638167622.db2.gz FEHRFKZPSPWBHS-VIFPVBQESA-N 1 2 217.272 1.649 20 30 BDEDLO C[C@]1(C#N)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907336555 638348810 /nfs/dbraw/zinc/34/88/10/638348810.db2.gz LKWFGUQDAQXWTD-GFCCVEGCSA-N 1 2 232.287 1.104 20 30 BDEDLO CC[C@H](CC#N)NC(=O)CNc1cccc[nH+]1 ZINC000907386535 638370106 /nfs/dbraw/zinc/37/01/06/638370106.db2.gz FASHTOCNMZLUEV-SNVBAGLBSA-N 1 2 232.287 1.302 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907807118 638472368 /nfs/dbraw/zinc/47/23/68/638472368.db2.gz FUDLZHPXDBEJCM-LLVKDONJSA-N 1 2 219.288 1.519 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)CNc1cccc[nH+]1 ZINC000908529512 638999716 /nfs/dbraw/zinc/99/97/16/638999716.db2.gz OIKRWMGVMXZJQA-ZDUSSCGKSA-N 1 2 231.299 1.412 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCCn1cc[nH+]c1 ZINC000930222243 639640200 /nfs/dbraw/zinc/64/02/00/639640200.db2.gz OQDGQHVXUVXBGG-LLVKDONJSA-N 1 2 221.304 1.602 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccc(Cl)nn1 ZINC000930589515 639815022 /nfs/dbraw/zinc/81/50/22/639815022.db2.gz MDWLTDBCLLRJIY-UHFFFAOYSA-N 1 2 209.680 1.585 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000930589515 639815023 /nfs/dbraw/zinc/81/50/23/639815023.db2.gz MDWLTDBCLLRJIY-UHFFFAOYSA-N 1 2 209.680 1.585 20 30 BDEDLO C=C1CN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000930627345 639829962 /nfs/dbraw/zinc/82/99/62/639829962.db2.gz RQAYKJICWFMQGV-UHFFFAOYSA-N 1 2 217.272 1.524 20 30 BDEDLO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1csnn1 ZINC000930725400 639880626 /nfs/dbraw/zinc/88/06/26/639880626.db2.gz CIWIVYWAGJDHMO-JGVFFNPUSA-N 1 2 213.306 1.126 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cnn(CCF)c1 ZINC000930867689 639960982 /nfs/dbraw/zinc/96/09/82/639960982.db2.gz MDPMQGWCDDAEFN-SECBINFHSA-N 1 2 210.256 1.244 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)nnc1C)C1CSC1 ZINC000930961416 639999320 /nfs/dbraw/zinc/99/93/20/639999320.db2.gz YIGKRYJPPOLMRR-UHFFFAOYSA-N 1 2 247.367 1.644 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)nnc1C)C1CSC1 ZINC000930961416 639999326 /nfs/dbraw/zinc/99/93/26/639999326.db2.gz YIGKRYJPPOLMRR-UHFFFAOYSA-N 1 2 247.367 1.644 20 30 BDEDLO C#CC[N@@H+](C/C=C/C(=O)OCC)C1CSC1 ZINC000930961379 639999500 /nfs/dbraw/zinc/99/95/00/639999500.db2.gz XQSYGBCPYVTPGF-AATRIKPKSA-N 1 2 239.340 1.156 20 30 BDEDLO C#CC[N@H+](C/C=C/C(=O)OCC)C1CSC1 ZINC000930961379 639999510 /nfs/dbraw/zinc/99/95/10/639999510.db2.gz XQSYGBCPYVTPGF-AATRIKPKSA-N 1 2 239.340 1.156 20 30 BDEDLO CC1(C)C[N@H+](C[C@H](O)CC#N)[C@@H]1c1cccnc1 ZINC000931083199 640063591 /nfs/dbraw/zinc/06/35/91/640063591.db2.gz IVPMRKBULDCTAP-CHWSQXEVSA-N 1 2 245.326 1.739 20 30 BDEDLO CC1(C)C[N@@H+](C[C@H](O)CC#N)[C@@H]1c1cccnc1 ZINC000931083199 640063599 /nfs/dbraw/zinc/06/35/99/640063599.db2.gz IVPMRKBULDCTAP-CHWSQXEVSA-N 1 2 245.326 1.739 20 30 BDEDLO CC[C@@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931331869 640159817 /nfs/dbraw/zinc/15/98/17/640159817.db2.gz WUXOAZVYXHMUGG-VIFPVBQESA-N 1 2 228.255 1.595 20 30 BDEDLO N#C[C@H]1CCC[N@H+](C[C@H]2CCC3(COC3)O2)C1 ZINC000932149862 640441635 /nfs/dbraw/zinc/44/16/35/640441635.db2.gz LXEXKRGGAIBBEI-VXGBXAGGSA-N 1 2 236.315 1.170 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](C[C@H]2CCC3(COC3)O2)C1 ZINC000932149862 640441640 /nfs/dbraw/zinc/44/16/40/640441640.db2.gz LXEXKRGGAIBBEI-VXGBXAGGSA-N 1 2 236.315 1.170 20 30 BDEDLO COC(=O)CC1(C[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC000932154210 640443855 /nfs/dbraw/zinc/44/38/55/640443855.db2.gz GIXQIPJGWVPANW-NSHDSACASA-N 1 2 236.315 1.565 20 30 BDEDLO COC(=O)CC1(C[N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC000932154210 640443863 /nfs/dbraw/zinc/44/38/63/640443863.db2.gz GIXQIPJGWVPANW-NSHDSACASA-N 1 2 236.315 1.565 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932380103 640508789 /nfs/dbraw/zinc/50/87/89/640508789.db2.gz KSUMXHVHSFPKKX-GFCCVEGCSA-N 1 2 242.282 1.841 20 30 BDEDLO C#CC[N@H+](Cc1noc2c1COCC2)C(C)C ZINC000932384571 640513448 /nfs/dbraw/zinc/51/34/48/640513448.db2.gz UUDMCNUTZJULNJ-UHFFFAOYSA-N 1 2 234.299 1.591 20 30 BDEDLO C#CC[N@@H+](Cc1noc2c1COCC2)C(C)C ZINC000932384571 640513449 /nfs/dbraw/zinc/51/34/49/640513449.db2.gz UUDMCNUTZJULNJ-UHFFFAOYSA-N 1 2 234.299 1.591 20 30 BDEDLO C#CC[N@@H+](Cc1cnnn1CC)C(C)C ZINC000932387660 640515301 /nfs/dbraw/zinc/51/53/01/640515301.db2.gz ICMOXPKFXATBNH-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#CC[N@H+](Cc1cnnn1CC)C(C)C ZINC000932387660 640515304 /nfs/dbraw/zinc/51/53/04/640515304.db2.gz ICMOXPKFXATBNH-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933527778 640723358 /nfs/dbraw/zinc/72/33/58/640723358.db2.gz QTODJHCETWUNIZ-GFCCVEGCSA-N 1 2 221.304 1.370 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933527778 640723364 /nfs/dbraw/zinc/72/33/64/640723364.db2.gz QTODJHCETWUNIZ-GFCCVEGCSA-N 1 2 221.304 1.370 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)=C2CCC2)C1 ZINC001030289365 640730945 /nfs/dbraw/zinc/73/09/45/640730945.db2.gz RQOYEUDABRPESN-UHFFFAOYSA-N 1 2 234.343 1.863 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CO)c(Cl)c1 ZINC000934010760 640806034 /nfs/dbraw/zinc/80/60/34/640806034.db2.gz GLZLVNLNXNQPOA-NSHDSACASA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CO)c(Cl)c1 ZINC000934010760 640806037 /nfs/dbraw/zinc/80/60/37/640806037.db2.gz GLZLVNLNXNQPOA-NSHDSACASA-N 1 2 236.702 1.778 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1snnc1C ZINC000934515997 641183406 /nfs/dbraw/zinc/18/34/06/641183406.db2.gz ATOYRGCEWOFOJL-SNVBAGLBSA-N 1 2 221.329 1.834 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1snnc1C ZINC000934515997 641183410 /nfs/dbraw/zinc/18/34/10/641183410.db2.gz ATOYRGCEWOFOJL-SNVBAGLBSA-N 1 2 221.329 1.834 20 30 BDEDLO C#CCCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000231669692 641191959 /nfs/dbraw/zinc/19/19/59/641191959.db2.gz LQAIFWBASFLYDS-SNVBAGLBSA-N 1 2 211.305 1.720 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(C)CCCC2)C1 ZINC001030757198 641337560 /nfs/dbraw/zinc/33/75/60/641337560.db2.gz HBHJPDTZXSOGEO-UHFFFAOYSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2CC3(CCC3)C2)C1 ZINC001030810155 641361650 /nfs/dbraw/zinc/36/16/50/641361650.db2.gz ASPSNNYPVLZZFC-UHFFFAOYSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC2CC(C)(C)C2)C1 ZINC001030833329 641374509 /nfs/dbraw/zinc/37/45/09/641374509.db2.gz RGEPFSAUROKSRM-UHFFFAOYSA-N 1 2 248.370 1.636 20 30 BDEDLO N#CCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935340629 641391534 /nfs/dbraw/zinc/39/15/34/641391534.db2.gz WTVREAAALMASAM-UHFFFAOYSA-N 1 2 228.255 1.596 20 30 BDEDLO N#CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000935783170 641482522 /nfs/dbraw/zinc/48/25/22/641482522.db2.gz AYVORCDEJXVZMD-UHFFFAOYSA-N 1 2 240.266 1.596 20 30 BDEDLO COC(=O)/C=C(/C)C[N@H+](C)[C@H](C)CC#N ZINC000929832278 641721779 /nfs/dbraw/zinc/72/17/79/641721779.db2.gz SMTBKYSCPOSMQF-UJICNMFASA-N 1 2 210.277 1.340 20 30 BDEDLO COC(=O)/C=C(/C)C[N@@H+](C)[C@H](C)CC#N ZINC000929832278 641721781 /nfs/dbraw/zinc/72/17/81/641721781.db2.gz SMTBKYSCPOSMQF-UJICNMFASA-N 1 2 210.277 1.340 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC000949889016 641871935 /nfs/dbraw/zinc/87/19/35/641871935.db2.gz RDIPCURYGWEYEI-NEPJUHHUSA-N 1 2 240.322 1.455 20 30 BDEDLO C=C(Br)C[NH2+]Cc1cn(C)cn1 ZINC000307960893 642326517 /nfs/dbraw/zinc/32/65/17/642326517.db2.gz KXYMMWJWSKUMMP-UHFFFAOYSA-N 1 2 230.109 1.418 20 30 BDEDLO CC#CCO[NH+]=C(N)Cc1ccccc1 ZINC000180623665 642803848 /nfs/dbraw/zinc/80/38/48/642803848.db2.gz IXNYPHJJIWEDNS-UHFFFAOYSA-N 1 2 202.257 1.541 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001017471118 642976640 /nfs/dbraw/zinc/97/66/40/642976640.db2.gz KAHAYVHVVRYADA-OKILXGFUSA-N 1 2 244.338 1.405 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001017471118 642976643 /nfs/dbraw/zinc/97/66/43/642976643.db2.gz KAHAYVHVVRYADA-OKILXGFUSA-N 1 2 244.338 1.405 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C ZINC001032279322 643433670 /nfs/dbraw/zinc/43/36/70/643433670.db2.gz LGVXJVLFDNKXDJ-RYUDHWBXSA-N 1 2 246.310 1.673 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C ZINC001032279322 643433676 /nfs/dbraw/zinc/43/36/76/643433676.db2.gz LGVXJVLFDNKXDJ-RYUDHWBXSA-N 1 2 246.310 1.673 20 30 BDEDLO N#CC1(CC(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922763051 644088769 /nfs/dbraw/zinc/08/87/69/644088769.db2.gz LUBIIGVMRXUGOB-UHFFFAOYSA-N 1 2 231.255 1.401 20 30 BDEDLO CC(=O)NCCC/[NH+]=C/c1ccccc1O ZINC000074114051 644192357 /nfs/dbraw/zinc/19/23/57/644192357.db2.gz IRGSKKZCKGFVES-UKTHLTGXSA-N 1 2 220.272 1.337 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]cc2C)C1 ZINC000957385640 644723247 /nfs/dbraw/zinc/72/32/47/644723247.db2.gz NGBPFULUMVWRHK-UHFFFAOYSA-N 1 2 247.342 1.655 20 30 BDEDLO C#CCOCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458839 644983928 /nfs/dbraw/zinc/98/39/28/644983928.db2.gz LYNQSPQKDPCCSV-UHFFFAOYSA-N 1 2 246.310 1.355 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000834552770 645145050 /nfs/dbraw/zinc/14/50/50/645145050.db2.gz UZWGOBTZEWUMKC-HBNTYKKESA-N 1 2 231.299 1.004 20 30 BDEDLO CC(C)O[NH+]=Cc1c(Cl)nc(N)n1C ZINC000835003254 645158049 /nfs/dbraw/zinc/15/80/49/645158049.db2.gz XCHDOFGHOHHKQT-UHFFFAOYSA-N 1 2 216.672 1.415 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442858 645333259 /nfs/dbraw/zinc/33/32/59/645333259.db2.gz GZDBLLKXXIBHFZ-KOLCDFICSA-N 1 2 245.269 1.835 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442858 645333264 /nfs/dbraw/zinc/33/32/64/645333264.db2.gz GZDBLLKXXIBHFZ-KOLCDFICSA-N 1 2 245.269 1.835 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC000847018029 645415444 /nfs/dbraw/zinc/41/54/44/645415444.db2.gz HLLOTMQFPBBMJI-UWVGGRQHSA-N 1 2 221.329 1.944 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC000847018029 645415447 /nfs/dbraw/zinc/41/54/47/645415447.db2.gz HLLOTMQFPBBMJI-UWVGGRQHSA-N 1 2 221.329 1.944 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430761 645479455 /nfs/dbraw/zinc/47/94/55/645479455.db2.gz BINQTYIFJOMQMS-VIFPVBQESA-N 1 2 230.695 1.265 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430761 645479458 /nfs/dbraw/zinc/47/94/58/645479458.db2.gz BINQTYIFJOMQMS-VIFPVBQESA-N 1 2 230.695 1.265 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000862579506 645701871 /nfs/dbraw/zinc/70/18/71/645701871.db2.gz YQCOMZDNGUHCLP-STQMWFEESA-N 1 2 245.326 1.706 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C#N)C1 ZINC000928215636 645712597 /nfs/dbraw/zinc/71/25/97/645712597.db2.gz AWHDFDBMUQSNEP-GHMZBOCLSA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C#N)C1 ZINC000928215636 645712603 /nfs/dbraw/zinc/71/26/03/645712603.db2.gz AWHDFDBMUQSNEP-GHMZBOCLSA-N 1 2 246.314 1.350 20 30 BDEDLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)s1 ZINC000928564643 645822666 /nfs/dbraw/zinc/82/26/66/645822666.db2.gz WJGHVLKVEHMYSZ-MRVPVSSYSA-N 1 2 235.312 1.054 20 30 BDEDLO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)s1 ZINC000928564643 645822669 /nfs/dbraw/zinc/82/26/69/645822669.db2.gz WJGHVLKVEHMYSZ-MRVPVSSYSA-N 1 2 235.312 1.054 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cnn(C)n1 ZINC000924703218 646093243 /nfs/dbraw/zinc/09/32/43/646093243.db2.gz ZEZRNTVYLCKRJP-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C#CC[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)C(=O)OC ZINC000894854490 711772923 /nfs/dbraw/zinc/77/29/23/711772923.db2.gz IMOPKVHGWHTARW-GVXVVHGQSA-N 1 2 235.327 1.720 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708388865 712191782 /nfs/dbraw/zinc/19/17/82/712191782.db2.gz ISHVAKFFKNZOME-ZETCQYMHSA-N 1 2 226.226 1.920 20 30 BDEDLO Nc1ccc(C=[NH+]OC/C=C/Cl)cn1 ZINC000379577845 712388545 /nfs/dbraw/zinc/38/85/45/712388545.db2.gz RVOFVKSYOMAAJF-AODHEHMHSA-N 1 2 211.652 1.597 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000767236862 712413385 /nfs/dbraw/zinc/41/33/85/712413385.db2.gz KSLGLXFUFSUDCL-LLVKDONJSA-N 1 2 219.288 1.143 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712775616 712449097 /nfs/dbraw/zinc/44/90/97/712449097.db2.gz QIXFEPKPYFCRID-SECBINFHSA-N 1 2 221.222 1.663 20 30 BDEDLO C#CCC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712775616 712449098 /nfs/dbraw/zinc/44/90/98/712449098.db2.gz QIXFEPKPYFCRID-SECBINFHSA-N 1 2 221.222 1.663 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000717403688 712655538 /nfs/dbraw/zinc/65/55/38/712655538.db2.gz BZGBWSNAKQRMKN-UHFFFAOYSA-N 1 2 221.304 1.313 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CSC)CC1 ZINC000719233137 712800826 /nfs/dbraw/zinc/80/08/26/712800826.db2.gz UMOHIZNMDRQEGO-NSHDSACASA-N 1 2 243.372 1.789 20 30 BDEDLO C(#Cc1ccccc1)C[NH2+]Cc1cc[nH]n1 ZINC000381458220 710640081 /nfs/dbraw/zinc/64/00/81/710640081.db2.gz IZOHLAKPZAKAFW-UHFFFAOYSA-N 1 2 211.268 1.551 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001038019346 712898527 /nfs/dbraw/zinc/89/85/27/712898527.db2.gz DPHRICSVEBGJDH-CQSZACIVSA-N 1 2 242.322 1.432 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001038019346 712898528 /nfs/dbraw/zinc/89/85/28/712898528.db2.gz DPHRICSVEBGJDH-CQSZACIVSA-N 1 2 242.322 1.432 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cscn1)[C@H]1CCCO1 ZINC000393731177 710670927 /nfs/dbraw/zinc/67/09/27/710670927.db2.gz PTSIUFCLOQKGGF-GHMZBOCLSA-N 1 2 222.313 1.414 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccoc2C)C1 ZINC001042459071 710784243 /nfs/dbraw/zinc/78/42/43/710784243.db2.gz FONXTZUEMXPDNO-UHFFFAOYSA-N 1 2 248.326 1.920 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC001042612483 710795080 /nfs/dbraw/zinc/79/50/80/710795080.db2.gz UOPPJUSWOUVTMV-UHFFFAOYSA-N 1 2 247.342 1.357 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001043668438 710811675 /nfs/dbraw/zinc/81/16/75/710811675.db2.gz OWNXZDFRBULYFA-MNOVXSKESA-N 1 2 240.322 1.453 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2occc2C)C1 ZINC001043812671 710814349 /nfs/dbraw/zinc/81/43/49/710814349.db2.gz CLMLJYJBPZJQLH-UHFFFAOYSA-N 1 2 248.326 1.459 20 30 BDEDLO Nc1ncc(C=[NH+]OCCC2CC2)cn1 ZINC000389899548 711096392 /nfs/dbraw/zinc/09/63/92/711096392.db2.gz CAZYXIVRSVWWTR-UHFFFAOYSA-N 1 2 206.249 1.040 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001038615972 710698919 /nfs/dbraw/zinc/69/89/19/710698919.db2.gz RXNZGJFCRFOOQJ-VXGBXAGGSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001038615972 710698917 /nfs/dbraw/zinc/69/89/17/710698917.db2.gz RXNZGJFCRFOOQJ-VXGBXAGGSA-N 1 2 234.343 1.246 20 30 BDEDLO NC(=[NH+]OCc1ccon1)c1ccccc1 ZINC000077238340 711524851 /nfs/dbraw/zinc/52/48/51/711524851.db2.gz WUFGCZOEQNAJKQ-UHFFFAOYSA-N 1 2 217.228 1.512 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000934565271 711594092 /nfs/dbraw/zinc/59/40/92/711594092.db2.gz LAQYLDFPUMKBFE-OLZOCXBDSA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000934565271 711594093 /nfs/dbraw/zinc/59/40/93/711594093.db2.gz LAQYLDFPUMKBFE-OLZOCXBDSA-N 1 2 234.274 1.463 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CC(C)(C)O1 ZINC000721540271 711619924 /nfs/dbraw/zinc/61/99/24/711619924.db2.gz NZWZAVBINUZGEI-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CC(C)(C)O1 ZINC000721540271 711619927 /nfs/dbraw/zinc/61/99/27/711619927.db2.gz NZWZAVBINUZGEI-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721541565 711620244 /nfs/dbraw/zinc/62/02/44/711620244.db2.gz TZATZSOWROHKBU-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000721541565 711620245 /nfs/dbraw/zinc/62/02/45/711620245.db2.gz TZATZSOWROHKBU-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724936151 711631060 /nfs/dbraw/zinc/63/10/60/711631060.db2.gz LSBSEFVIOXIYLG-RYUDHWBXSA-N 1 2 224.304 1.027 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724936151 711631061 /nfs/dbraw/zinc/63/10/61/711631061.db2.gz LSBSEFVIOXIYLG-RYUDHWBXSA-N 1 2 224.304 1.027 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001030566967 711837385 /nfs/dbraw/zinc/83/73/85/711837385.db2.gz ITCNZRAWKORYOV-XQQFMLRXSA-N 1 2 248.370 1.799 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCc1c[nH+]cn1C ZINC000388453521 711880561 /nfs/dbraw/zinc/88/05/61/711880561.db2.gz RHUCBCFHZZTOMW-UHFFFAOYSA-N 1 2 234.303 1.366 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038135645 711881357 /nfs/dbraw/zinc/88/13/57/711881357.db2.gz IYKFXJALTVTAAK-MQYQWHSLSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038135645 711881358 /nfs/dbraw/zinc/88/13/58/711881358.db2.gz IYKFXJALTVTAAK-MQYQWHSLSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCC1 ZINC001032469734 711919266 /nfs/dbraw/zinc/91/92/66/711919266.db2.gz BBJMZLPAJDVRQV-UBHSHLNASA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCC1 ZINC001032469734 711919269 /nfs/dbraw/zinc/91/92/69/711919269.db2.gz BBJMZLPAJDVRQV-UBHSHLNASA-N 1 2 246.354 1.341 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(CC)o1 ZINC000700404644 711991938 /nfs/dbraw/zinc/99/19/38/711991938.db2.gz MGHWYFJFRNXHPQ-NSHDSACASA-N 1 2 207.277 1.524 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(CC)s1 ZINC000702700700 712059901 /nfs/dbraw/zinc/05/99/01/712059901.db2.gz ANVAAHWYILYILX-LLVKDONJSA-N 1 2 223.345 1.992 20 30 BDEDLO Cc1cc(C#N)ccc1NC[C@@H]1COCC[N@H+]1C ZINC000704022394 712095779 /nfs/dbraw/zinc/09/57/79/712095779.db2.gz JPTYSUWTXMVKLJ-CYBMUJFWSA-N 1 2 245.326 1.609 20 30 BDEDLO Cc1cc(C#N)ccc1NC[C@@H]1COCC[N@@H+]1C ZINC000704022394 712095780 /nfs/dbraw/zinc/09/57/80/712095780.db2.gz JPTYSUWTXMVKLJ-CYBMUJFWSA-N 1 2 245.326 1.609 20 30 BDEDLO Cc1ccnc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000707917070 712173365 /nfs/dbraw/zinc/17/33/65/712173365.db2.gz MECVURFPKOACNQ-GFCCVEGCSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1ccnc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000707917070 712173366 /nfs/dbraw/zinc/17/33/66/712173366.db2.gz MECVURFPKOACNQ-GFCCVEGCSA-N 1 2 230.315 1.911 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709890881 712231136 /nfs/dbraw/zinc/23/11/36/712231136.db2.gz OVUFJIXVXVSTOT-JGVFFNPUSA-N 1 2 243.656 1.842 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709890881 712231137 /nfs/dbraw/zinc/23/11/37/712231137.db2.gz OVUFJIXVXVSTOT-JGVFFNPUSA-N 1 2 243.656 1.842 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000717424284 712658196 /nfs/dbraw/zinc/65/81/96/712658196.db2.gz ODFQCNVNDQYYES-UHFFFAOYSA-N 1 2 236.319 1.016 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C(=O)OC)[C@H](C)CC ZINC000930589966 712712927 /nfs/dbraw/zinc/71/29/27/712712927.db2.gz OYKBOHDCEPORMO-MNOVXSKESA-N 1 2 211.305 1.529 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C(=O)OC)[C@H](C)CC ZINC000930589966 712712928 /nfs/dbraw/zinc/71/29/28/712712928.db2.gz OYKBOHDCEPORMO-MNOVXSKESA-N 1 2 211.305 1.529 20 30 BDEDLO C=CC[NH+]1CCN(c2nc(C)ncc2F)CC1 ZINC001165033145 721864909 /nfs/dbraw/zinc/86/49/09/721864909.db2.gz DSGCUYGKBNGSAT-UHFFFAOYSA-N 1 2 236.294 1.232 20 30 BDEDLO C=CCC(F)(F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000820449211 968474850 /nfs/dbraw/zinc/47/48/50/968474850.db2.gz UCDQPSBUMAEXSW-UHFFFAOYSA-N 1 2 243.257 1.854 20 30 BDEDLO C=CCOC[C@@H](O)CNc1cccc[nH+]1 ZINC001252451306 968705377 /nfs/dbraw/zinc/70/53/77/968705377.db2.gz ANZBXACOSZPZJC-JTQLQIEISA-N 1 2 208.261 1.057 20 30 BDEDLO C=CCOC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC001252470519 968728320 /nfs/dbraw/zinc/72/83/20/968728320.db2.gz LKOYGVDCJBPUCB-NSHDSACASA-N 1 2 242.344 1.138 20 30 BDEDLO C=CCOC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC001252470519 968728328 /nfs/dbraw/zinc/72/83/28/968728328.db2.gz LKOYGVDCJBPUCB-NSHDSACASA-N 1 2 242.344 1.138 20 30 BDEDLO CC(=O)N1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001254416028 969611816 /nfs/dbraw/zinc/61/18/16/969611816.db2.gz KLLUSWWZIOKXBL-CYBMUJFWSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](CC#N)N1CC[NH2+]CC(F)(F)C1 ZINC001255166396 969981668 /nfs/dbraw/zinc/98/16/68/969981668.db2.gz KFVGKINCTCDVGH-SECBINFHSA-N 1 2 217.263 1.219 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1nn(CC)nc1C ZINC001334388611 976485910 /nfs/dbraw/zinc/48/59/10/976485910.db2.gz YLLRTGAODNVNJI-ONGXEEELSA-N 1 2 238.335 1.458 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1nnc(C(C)C)s1 ZINC001335490170 977095945 /nfs/dbraw/zinc/09/59/45/977095945.db2.gz QKJBDRIJSFYPNM-SECBINFHSA-N 1 2 241.360 1.952 20 30 BDEDLO C=C(C)CCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001336389185 977651498 /nfs/dbraw/zinc/65/14/98/977651498.db2.gz MUMZVUVMJPRAIF-UHFFFAOYSA-N 1 2 221.304 1.999 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000411 978488393 /nfs/dbraw/zinc/48/83/93/978488393.db2.gz NEWPUHHHLGLQMT-SNVBAGLBSA-N 1 2 234.303 1.397 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@]2(F)Cl)CC1 ZINC001181658320 979227824 /nfs/dbraw/zinc/22/78/24/979227824.db2.gz FDYLFXLQZVTXLL-KOLCDFICSA-N 1 2 246.713 1.241 20 30 BDEDLO C=CC(C)(C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC001341512482 979444214 /nfs/dbraw/zinc/44/42/14/979444214.db2.gz DOSKLZBMSWMESX-ZCFIWIBFSA-N 1 2 206.236 1.050 20 30 BDEDLO CC(C)(O)C1C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC001343144926 980022381 /nfs/dbraw/zinc/02/23/81/980022381.db2.gz YUFQDCDWWBOQHD-SNVBAGLBSA-N 1 2 221.304 1.133 20 30 BDEDLO C=CCCC(=O)OCCCc1c[nH+]cn1C ZINC001346225920 980790899 /nfs/dbraw/zinc/79/08/99/980790899.db2.gz DXULWTIMVAQHOX-UHFFFAOYSA-N 1 2 222.288 1.862 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C2CC2)no1 ZINC000691732252 982899582 /nfs/dbraw/zinc/89/95/82/982899582.db2.gz WDTLSOPVXUAYPH-GFCCVEGCSA-N 1 2 219.288 1.839 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)cn1)C1CN(C)C1 ZINC001144166394 972659666 /nfs/dbraw/zinc/65/96/66/972659666.db2.gz CXANJKLTUVGQGS-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)C1CN(C)C1 ZINC001144166394 972659683 /nfs/dbraw/zinc/65/96/83/972659683.db2.gz CXANJKLTUVGQGS-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257074971 971090770 /nfs/dbraw/zinc/09/07/70/971090770.db2.gz XYKREDTXNOTKSJ-MRTMQBJTSA-N 1 2 247.360 1.003 20 30 BDEDLO CCCCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001257513855 971431770 /nfs/dbraw/zinc/43/17/70/971431770.db2.gz WWFGLFBWQCWHJI-RYUDHWBXSA-N 1 2 209.337 1.753 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC001257663130 971463749 /nfs/dbraw/zinc/46/37/49/971463749.db2.gz UGCOXJNSKFSYSJ-VHSXEESVSA-N 1 2 229.345 1.589 20 30 BDEDLO CC[C@H](C)OCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001172329877 974593692 /nfs/dbraw/zinc/59/36/92/974593692.db2.gz JGMVHMBIIVTFNZ-FRRDWIJNSA-N 1 2 239.363 1.377 20 30 BDEDLO O=C1COc2c[nH+]c(NCCCS)cc2N1 ZINC001170999328 972222043 /nfs/dbraw/zinc/22/20/43/972222043.db2.gz CUNVDOWMSJIZFY-UHFFFAOYSA-N 1 2 239.300 1.144 20 30 BDEDLO Nc1cn2ccc(NCCCS)cc2[nH+]1 ZINC001171003688 972230713 /nfs/dbraw/zinc/23/07/13/972230713.db2.gz HSGFTFFDAVAMRR-UHFFFAOYSA-N 1 2 222.317 1.648 20 30 BDEDLO Cc1cnccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC000705333909 957121165 /nfs/dbraw/zinc/12/11/65/957121165.db2.gz QJIPDNGFIPHTPX-NSHDSACASA-N 1 2 201.273 1.736 20 30 BDEDLO Cc1cnccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC000705333909 957121181 /nfs/dbraw/zinc/12/11/81/957121181.db2.gz QJIPDNGFIPHTPX-NSHDSACASA-N 1 2 201.273 1.736 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC[C@H]3OCC[C@H]3C2)c1 ZINC001167211428 957545290 /nfs/dbraw/zinc/54/52/90/957545290.db2.gz AJAYLPQCSFLNPJ-QWHCGFSZSA-N 1 2 243.310 1.763 20 30 BDEDLO C#CC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000692313858 958327215 /nfs/dbraw/zinc/32/72/15/958327215.db2.gz VEAHOUDBROVMAN-UHFFFAOYSA-N 1 2 216.284 1.424 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1COC2(CCCCC2)O1 ZINC001167572806 958897248 /nfs/dbraw/zinc/89/72/48/958897248.db2.gz QMNMJGRVTTVQAC-GFCCVEGCSA-N 1 2 238.331 1.908 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1COC2(CCCCC2)O1 ZINC001167572806 958897266 /nfs/dbraw/zinc/89/72/66/958897266.db2.gz QMNMJGRVTTVQAC-GFCCVEGCSA-N 1 2 238.331 1.908 20 30 BDEDLO C=CCC1(NC(=O)C[C@@H]([NH3+])C(F)F)CCCC1 ZINC000724708243 959230358 /nfs/dbraw/zinc/23/03/58/959230358.db2.gz LOKVHXHBAWQOMP-SECBINFHSA-N 1 2 246.301 1.974 20 30 BDEDLO C=C(C)C(=O)NCCCNc1cccc[nH+]1 ZINC001167665361 959285705 /nfs/dbraw/zinc/28/57/05/959285705.db2.gz IOYNDWDJAHTOGV-UHFFFAOYSA-N 1 2 219.288 1.576 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000694575818 959923390 /nfs/dbraw/zinc/92/33/90/959923390.db2.gz GAYDFUZCBNSDBG-MNOVXSKESA-N 1 2 207.277 1.151 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000694575818 959923398 /nfs/dbraw/zinc/92/33/98/959923398.db2.gz GAYDFUZCBNSDBG-MNOVXSKESA-N 1 2 207.277 1.151 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692554536 960290797 /nfs/dbraw/zinc/29/07/97/960290797.db2.gz VEKFRUYEJQUJAR-CYBMUJFWSA-N 1 2 248.330 1.674 20 30 BDEDLO N#C[C@H]1CCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141046434 960833140 /nfs/dbraw/zinc/83/31/40/960833140.db2.gz ZTTRIWUQZHIWJH-GFCCVEGCSA-N 1 2 226.283 1.680 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167895615 961521832 /nfs/dbraw/zinc/52/18/32/961521832.db2.gz VJCXBGIXTPEWRA-JLIMGVALSA-N 1 2 229.345 1.236 20 30 BDEDLO Cc1cc(C#N)cnc1NCCCn1cc[nH+]c1 ZINC000709781673 961566592 /nfs/dbraw/zinc/56/65/92/961566592.db2.gz DKYKZJVXCFGFSD-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO C[NH+]1CC(Oc2ccc(C#N)c(F)c2)C1 ZINC001225353127 962105504 /nfs/dbraw/zinc/10/55/04/962105504.db2.gz ITBQARJSZLUNSJ-UHFFFAOYSA-N 1 2 206.220 1.390 20 30 BDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccccc1C#N ZINC001269401596 962656309 /nfs/dbraw/zinc/65/63/09/962656309.db2.gz ZPDDPNNBPWKVFV-TXEJJXNPSA-N 1 2 241.294 1.087 20 30 BDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccccc1C#N ZINC001269401596 962656322 /nfs/dbraw/zinc/65/63/22/962656322.db2.gz ZPDDPNNBPWKVFV-TXEJJXNPSA-N 1 2 241.294 1.087 20 30 BDEDLO Cc1ccc(NCc2cc[nH+]c(N)c2)nc1C#N ZINC001156757299 963455783 /nfs/dbraw/zinc/45/57/83/963455783.db2.gz QWAQCODYPYWDNP-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO CC#CC[N@H+](C)Cc1cncn1C(C)C ZINC000897168576 963548106 /nfs/dbraw/zinc/54/81/06/963548106.db2.gz CARMSLBDVWUIKZ-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cncn1C(C)C ZINC000897168576 963548108 /nfs/dbraw/zinc/54/81/08/963548108.db2.gz CARMSLBDVWUIKZ-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCC ZINC001482576835 963825893 /nfs/dbraw/zinc/82/58/93/963825893.db2.gz YLBDPXAQTRBSLW-UHFFFAOYSA-N 1 2 232.755 1.929 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCC ZINC001482576835 963825899 /nfs/dbraw/zinc/82/58/99/963825899.db2.gz YLBDPXAQTRBSLW-UHFFFAOYSA-N 1 2 232.755 1.929 20 30 BDEDLO N#Cc1ncc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213027976 964454937 /nfs/dbraw/zinc/45/49/37/964454937.db2.gz CRUZYDGGHYOVNO-UHFFFAOYSA-N 1 2 236.238 1.968 20 30 BDEDLO N#CCc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161681239 964683273 /nfs/dbraw/zinc/68/32/73/964683273.db2.gz LTKGCWRIVXZVPW-UHFFFAOYSA-N 1 2 241.298 1.846 20 30 BDEDLO N#CCc1cccc(NCCCn2cc[nH+]c2)n1 ZINC001161684724 964684311 /nfs/dbraw/zinc/68/43/11/964684311.db2.gz LCZYXPQYNZHIMJ-UHFFFAOYSA-N 1 2 241.298 1.846 20 30 BDEDLO N#CCc1ccc(NC[C@@H]2CCNC(=O)C2)[nH+]c1 ZINC001162324918 964932180 /nfs/dbraw/zinc/93/21/80/964932180.db2.gz QNCQSIALGJUDJQ-LLVKDONJSA-N 1 2 244.298 1.086 20 30 BDEDLO C#CCCCNc1cc(N(C)CC)nc[nH+]1 ZINC001162440376 964980087 /nfs/dbraw/zinc/98/00/87/964980087.db2.gz ZSOJZUSRPXWJMN-UHFFFAOYSA-N 1 2 218.304 1.758 20 30 BDEDLO C#CCCCNc1cc(N(C)CC)[nH+]cn1 ZINC001162440376 964980094 /nfs/dbraw/zinc/98/00/94/964980094.db2.gz ZSOJZUSRPXWJMN-UHFFFAOYSA-N 1 2 218.304 1.758 20 30 BDEDLO Cc1[nH+]cn(-c2ccc(NCC#N)nn2)c1C ZINC001163182909 965286313 /nfs/dbraw/zinc/28/63/13/965286313.db2.gz YYYKHFZFIJPTNJ-UHFFFAOYSA-N 1 2 228.259 1.215 20 30 BDEDLO C#CCNc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001163357087 965361144 /nfs/dbraw/zinc/36/11/44/965361144.db2.gz GYTHYDBIBOBEQQ-UHFFFAOYSA-N 1 2 218.260 1.105 20 30 BDEDLO C#CCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001163363547 965365542 /nfs/dbraw/zinc/36/55/42/965365542.db2.gz SJJFKFBKCAZJBO-UHFFFAOYSA-N 1 2 212.256 1.372 20 30 BDEDLO C#CCNc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001163362922 965365787 /nfs/dbraw/zinc/36/57/87/965365787.db2.gz BYQQLGUGCMXJNA-UHFFFAOYSA-N 1 2 215.178 1.728 20 30 BDEDLO C=C(C)CNc1ccc(CC(=O)OC)c[nH+]1 ZINC001163374403 965378895 /nfs/dbraw/zinc/37/88/95/965378895.db2.gz USXXYXPENOPDEL-UHFFFAOYSA-N 1 2 220.272 1.785 20 30 BDEDLO C[C@H]1CN(c2cc(CC#N)cc[nH+]2)CCC[C@@H]1O ZINC001164226342 965806059 /nfs/dbraw/zinc/80/60/59/965806059.db2.gz DJSLTUPRCQOINT-AAEUAGOBSA-N 1 2 245.326 1.745 20 30 BDEDLO Cc1cc(N2CC[NH2+]C[C@H]2C#N)nc2[nH]ccc21 ZINC001164650811 965938733 /nfs/dbraw/zinc/93/87/33/965938733.db2.gz AZRVRAVKTKCIHX-SNVBAGLBSA-N 1 2 241.298 1.173 20 30 BDEDLO Cc1[nH+]c(N(C)CC#N)cc2[nH]ccc21 ZINC001166798961 966413450 /nfs/dbraw/zinc/41/34/50/966413450.db2.gz CQXRVJXIAMBXKT-UHFFFAOYSA-N 1 2 200.245 1.831 20 30 BDEDLO C#CCN(CC#C)Cc1ccc2[nH+]ccn2c1 ZINC001143035197 966990909 /nfs/dbraw/zinc/99/09/09/966990909.db2.gz HJEFZTCNHMJIAE-UHFFFAOYSA-N 1 2 223.279 1.403 20 30 BDEDLO C=C1CC(C)(C(=O)N2CC3(CC[N@H+]3C)C2)C1 ZINC001273127969 967776536 /nfs/dbraw/zinc/77/65/36/967776536.db2.gz MLPVRZXCDQGEBA-UHFFFAOYSA-N 1 2 220.316 1.259 20 30 BDEDLO C=C1CC(C)(C(=O)N2CC3(CC[N@@H+]3C)C2)C1 ZINC001273127969 967776546 /nfs/dbraw/zinc/77/65/46/967776546.db2.gz MLPVRZXCDQGEBA-UHFFFAOYSA-N 1 2 220.316 1.259 20 30 BDEDLO CC(C)(O)[C@H](F)CNc1cc(CC#N)cc[nH+]1 ZINC001162411943 967829478 /nfs/dbraw/zinc/82/94/78/967829478.db2.gz MOEGKVGEUFTKIL-SNVBAGLBSA-N 1 2 237.278 1.669 20 30 BDEDLO C#CCNc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001163357311 968024253 /nfs/dbraw/zinc/02/42/53/968024253.db2.gz KWPNPBUXALXIMO-UHFFFAOYSA-N 1 2 209.680 1.846 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC[C@@H](O)[C@H](F)CC2)c1 ZINC001164236990 968198332 /nfs/dbraw/zinc/19/83/32/968198332.db2.gz CRLCDNXRDFXJOX-VXGBXAGGSA-N 1 2 249.289 1.447 20 30 BDEDLO CC[C@@H]1C[C@@H](C=[NH+]n2nnc(C)c2C)CCO1 ZINC001119299305 968318185 /nfs/dbraw/zinc/31/81/85/968318185.db2.gz QFHZDJLRCZQNRJ-NWDGAFQWSA-N 1 2 236.319 1.934 20 30 BDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](C)O ZINC001251970187 968410724 /nfs/dbraw/zinc/41/07/24/968410724.db2.gz JUGHDNOGCDFFQC-QWRGUYRKSA-N 1 2 229.320 1.101 20 30 BDEDLO Cc1[nH]c(/C=C2/C(=O)c3ncnn3[C@@H]2C)[nH+]c1C ZINC000822520400 968526149 /nfs/dbraw/zinc/52/61/49/968526149.db2.gz WUNXHBZLFWYFPY-SXPLAPADSA-N 1 2 243.270 1.459 20 30 BDEDLO Cc1[nH]c(/C=C2/C(=O)c3ncnn3[C@H]2C)[nH+]c1C ZINC000822520398 968526203 /nfs/dbraw/zinc/52/62/03/968526203.db2.gz WUNXHBZLFWYFPY-DHFUWRPHSA-N 1 2 243.270 1.459 20 30 BDEDLO CC(C)(O)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001252350391 968628533 /nfs/dbraw/zinc/62/85/33/968628533.db2.gz NBINLXQEUUUQEF-SECBINFHSA-N 1 2 227.329 1.031 20 30 BDEDLO CC(C)(O)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001252350391 968628542 /nfs/dbraw/zinc/62/85/42/968628542.db2.gz NBINLXQEUUUQEF-SECBINFHSA-N 1 2 227.329 1.031 20 30 BDEDLO CC(C)(O)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001252350391 968628551 /nfs/dbraw/zinc/62/85/51/968628551.db2.gz NBINLXQEUUUQEF-SECBINFHSA-N 1 2 227.329 1.031 20 30 BDEDLO CC(C)(O)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001252350391 968628556 /nfs/dbraw/zinc/62/85/56/968628556.db2.gz NBINLXQEUUUQEF-SECBINFHSA-N 1 2 227.329 1.031 20 30 BDEDLO C=C[C@@](C)(O)CNc1ccn2cc[nH+]c2c1 ZINC001252546896 968783935 /nfs/dbraw/zinc/78/39/35/968783935.db2.gz CSWWUKQPAPSCGJ-GFCCVEGCSA-N 1 2 217.272 1.683 20 30 BDEDLO C=CCC[C@@H](O)CNc1c[nH+]ccc1OC ZINC001252587977 968841906 /nfs/dbraw/zinc/84/19/06/968841906.db2.gz INLASFVFZLLNGG-SNVBAGLBSA-N 1 2 222.288 1.829 20 30 BDEDLO C=CCC[C@H](O)CNc1[nH+]cccc1OC ZINC001252587104 968842011 /nfs/dbraw/zinc/84/20/11/968842011.db2.gz ALRRCQIDZPAVMJ-JTQLQIEISA-N 1 2 222.288 1.829 20 30 BDEDLO C=CCCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108286671 969156752 /nfs/dbraw/zinc/15/67/52/969156752.db2.gz ZEZVAJPTRJRDMI-JTQLQIEISA-N 1 2 248.330 1.668 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001253578944 969251186 /nfs/dbraw/zinc/25/11/86/969251186.db2.gz KFUJWRDQTQELCD-JTQLQIEISA-N 1 2 238.718 1.640 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001253578944 969251197 /nfs/dbraw/zinc/25/11/97/969251197.db2.gz KFUJWRDQTQELCD-JTQLQIEISA-N 1 2 238.718 1.640 20 30 BDEDLO C=C[C@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001253586023 969264780 /nfs/dbraw/zinc/26/47/80/969264780.db2.gz FZDMNAGGAIUDHP-ZDUSSCGKSA-N 1 2 249.310 1.209 20 30 BDEDLO C=C[C@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001253586023 969264787 /nfs/dbraw/zinc/26/47/87/969264787.db2.gz FZDMNAGGAIUDHP-ZDUSSCGKSA-N 1 2 249.310 1.209 20 30 BDEDLO C=C[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001253586836 969271343 /nfs/dbraw/zinc/27/13/43/969271343.db2.gz SQXFIKMPMZUXHR-GFCCVEGCSA-N 1 2 219.284 1.348 20 30 BDEDLO C=C[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001253586836 969271353 /nfs/dbraw/zinc/27/13/53/969271353.db2.gz SQXFIKMPMZUXHR-GFCCVEGCSA-N 1 2 219.284 1.348 20 30 BDEDLO C#CC[NH+]1CCN(C[C@H](C)C(F)(F)F)CC1 ZINC001208905758 969297027 /nfs/dbraw/zinc/29/70/27/969297027.db2.gz QRFMAPOQLSKHRZ-JTQLQIEISA-N 1 2 234.265 1.436 20 30 BDEDLO CC(C)C[C@H](C#N)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987744 969344832 /nfs/dbraw/zinc/34/48/32/969344832.db2.gz JYVZGOXVQMRWOY-IJLUTSLNSA-N 1 2 239.319 1.960 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC001253788435 969406448 /nfs/dbraw/zinc/40/64/48/969406448.db2.gz SROCZPAPPFLUCE-ZYHUDNBSSA-N 1 2 229.320 1.101 20 30 BDEDLO N#CCC1C[NH+](Cc2cc3c(cn2)OCCC3)C1 ZINC001209501065 969529354 /nfs/dbraw/zinc/52/93/54/969529354.db2.gz ZFWWUDNYXBFFOR-UHFFFAOYSA-N 1 2 243.310 1.752 20 30 BDEDLO C#CC[N@@H+](C)Cc1nn(C)c2ccccc21 ZINC001209582568 969561040 /nfs/dbraw/zinc/56/10/40/969561040.db2.gz LPCAICJCHMPNFY-UHFFFAOYSA-N 1 2 213.284 1.638 20 30 BDEDLO C#CC[N@H+](C)Cc1nn(C)c2ccccc21 ZINC001209582568 969561044 /nfs/dbraw/zinc/56/10/44/969561044.db2.gz LPCAICJCHMPNFY-UHFFFAOYSA-N 1 2 213.284 1.638 20 30 BDEDLO Cc1nc(NOCC[NH3+])c(C#N)c(C)c1Cl ZINC001156285927 969573150 /nfs/dbraw/zinc/57/31/50/969573150.db2.gz SJZRCJDLAIGOKQ-UHFFFAOYSA-N 1 2 240.694 1.526 20 30 BDEDLO CCCC[N@H+](CC#N)C1CCN(C(C)=O)CC1 ZINC001254428177 969622567 /nfs/dbraw/zinc/62/25/67/969622567.db2.gz JYXZGYQTVLZCCA-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO CCCC[N@@H+](CC#N)C1CCN(C(C)=O)CC1 ZINC001254428177 969622572 /nfs/dbraw/zinc/62/25/72/969622572.db2.gz JYXZGYQTVLZCCA-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO CCN1C[C@@H](C)[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254673363 969780566 /nfs/dbraw/zinc/78/05/66/969780566.db2.gz JJZZVTJLOLHUON-UTUOFQBUSA-N 1 2 235.331 1.231 20 30 BDEDLO CCN1C[C@@H](C)[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254673363 969780570 /nfs/dbraw/zinc/78/05/70/969780570.db2.gz JJZZVTJLOLHUON-UTUOFQBUSA-N 1 2 235.331 1.231 20 30 BDEDLO C#C[C@H]1CCC[C@H]1OCC[NH+]1CCOCC1 ZINC001210224986 969834291 /nfs/dbraw/zinc/83/42/91/969834291.db2.gz MSZRGLFNZFQHBG-QWHCGFSZSA-N 1 2 223.316 1.137 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001254992152 969841741 /nfs/dbraw/zinc/84/17/41/969841741.db2.gz VOHIJDCDLXEGAF-ZJUUUORDSA-N 1 2 220.276 1.108 20 30 BDEDLO Cc1[nH+]cc(Nc2cccc(C#N)n2)cc1N ZINC001210287254 969853180 /nfs/dbraw/zinc/85/31/80/969853180.db2.gz PULOQXYYNANSIH-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cncn1CCF ZINC001255161882 969969731 /nfs/dbraw/zinc/96/97/31/969969731.db2.gz BQKZQMIPYVJDOV-JTQLQIEISA-N 1 2 224.283 1.634 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cncn1CCF ZINC001255161883 969970873 /nfs/dbraw/zinc/97/08/73/969970873.db2.gz BQKZQMIPYVJDOV-SNVBAGLBSA-N 1 2 224.283 1.634 20 30 BDEDLO CC[C@@H](CC#N)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001255171766 969979109 /nfs/dbraw/zinc/97/91/09/969979109.db2.gz ANFZYDQHFRWNPW-LBPRGKRZSA-N 1 2 235.331 1.233 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CCCC)CC1 ZINC001112622224 970124558 /nfs/dbraw/zinc/12/45/58/970124558.db2.gz AEKKLEGNZQJTOI-UHFFFAOYSA-N 1 2 222.332 1.344 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001112664695 970135723 /nfs/dbraw/zinc/13/57/23/970135723.db2.gz OELWJINORGCLPI-QPEQYQDCSA-N 1 2 234.343 1.510 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001112809092 970187199 /nfs/dbraw/zinc/18/71/99/970187199.db2.gz YMUHJFQTZNKULE-CYBMUJFWSA-N 1 2 236.359 1.590 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCC(C)(F)F)CC1 ZINC001113028017 970283898 /nfs/dbraw/zinc/28/38/98/970283898.db2.gz NLQSMWAAOISHLN-UHFFFAOYSA-N 1 2 246.301 1.752 20 30 BDEDLO C#CCCCCCC(=O)N1CC[NH+](CC=C)CC1 ZINC001113199616 970381381 /nfs/dbraw/zinc/38/13/81/970381381.db2.gz CQXTUPXTHOAYPX-UHFFFAOYSA-N 1 2 248.370 1.900 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCC)OC)CC1 ZINC001113186944 970382288 /nfs/dbraw/zinc/38/22/88/970382288.db2.gz LPKSDIYHWUFFJG-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C#Cc1cc(Nc2ccncc2C#N)cc[nH+]1 ZINC001214002482 970407956 /nfs/dbraw/zinc/40/79/56/970407956.db2.gz QSHQJFONIDYJMU-UHFFFAOYSA-N 1 2 220.235 1.495 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(O)c1C ZINC001144122166 972594910 /nfs/dbraw/zinc/59/49/10/972594910.db2.gz VXEQCMGJFQUILQ-UHFFFAOYSA-N 1 2 213.280 1.769 20 30 BDEDLO C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC001327707729 972705538 /nfs/dbraw/zinc/70/55/38/972705538.db2.gz XSRSFKZLELITDV-ZJUUUORDSA-N 1 2 234.303 1.499 20 30 BDEDLO Cc1cc(CO[C@@H]2CCN(CC#N)C2)cc(C)[nH+]1 ZINC001223426007 973065638 /nfs/dbraw/zinc/06/56/38/973065638.db2.gz XAGFJSUIKATKIW-CQSZACIVSA-N 1 2 245.326 1.813 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1CC#CC ZINC001276916510 973246397 /nfs/dbraw/zinc/24/63/97/973246397.db2.gz QGFMYWWSTOISQG-UKRRQHHQSA-N 1 2 248.370 1.803 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CC#CC ZINC001276916510 973246414 /nfs/dbraw/zinc/24/64/14/973246414.db2.gz QGFMYWWSTOISQG-UKRRQHHQSA-N 1 2 248.370 1.803 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001330304618 974219374 /nfs/dbraw/zinc/21/93/74/974219374.db2.gz BOBDLLVOAZUVHJ-AVGNSLFASA-N 1 2 245.326 1.752 20 30 BDEDLO Cc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001225279194 974345232 /nfs/dbraw/zinc/34/52/32/974345232.db2.gz MHSYEENSCAXCED-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO Cc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001225279194 974345238 /nfs/dbraw/zinc/34/52/38/974345238.db2.gz MHSYEENSCAXCED-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO CCC(C#N)(CC)[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172174727 974430039 /nfs/dbraw/zinc/43/00/39/974430039.db2.gz QDDHKMAMYKMJBH-RYUDHWBXSA-N 1 2 249.358 1.812 20 30 BDEDLO N#CC1([NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CCCC1 ZINC001172173822 974430746 /nfs/dbraw/zinc/43/07/46/974430746.db2.gz WWQJDFITYPPVPC-RYUDHWBXSA-N 1 2 247.342 1.566 20 30 BDEDLO Cc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225351534 974431967 /nfs/dbraw/zinc/43/19/67/974431967.db2.gz KGQZXWRWJNDVEW-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO Cc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225351534 974431977 /nfs/dbraw/zinc/43/19/77/974431977.db2.gz KGQZXWRWJNDVEW-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO CC(C)[NH+]1CC(Oc2ncccc2C#N)C1 ZINC001225405902 974465998 /nfs/dbraw/zinc/46/59/98/974465998.db2.gz LDIOSRSQCVURMU-UHFFFAOYSA-N 1 2 217.272 1.425 20 30 BDEDLO Cc1ccncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225411531 974474752 /nfs/dbraw/zinc/47/47/52/974474752.db2.gz QXXJEQBDRWSNRO-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO Cc1ccncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225411531 974474758 /nfs/dbraw/zinc/47/47/58/974474758.db2.gz QXXJEQBDRWSNRO-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO CC[NH+]1CC(Oc2cc(C#N)ccc2OC)C1 ZINC001225684150 974644493 /nfs/dbraw/zinc/64/44/93/974644493.db2.gz LDWTYMYQORKNPK-UHFFFAOYSA-N 1 2 232.283 1.650 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1cccc(F)c1C#N ZINC001331689016 974790520 /nfs/dbraw/zinc/79/05/20/974790520.db2.gz ITYGHSSCJVZAGB-LLVKDONJSA-N 1 2 234.274 1.988 20 30 BDEDLO CO[C@@H]1CCC[C@@H]([NH+]2CC(C)(C#N)C2)C1 ZINC001172932391 974988071 /nfs/dbraw/zinc/98/80/71/974988071.db2.gz SEZWXSAPBKIXEN-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001173272315 975145685 /nfs/dbraw/zinc/14/56/85/975145685.db2.gz IFKOCWOBCKHBEO-UTUOFQBUSA-N 1 2 207.321 1.362 20 30 BDEDLO C#CC[N@H+](Cc1[nH]nc2c1COCC2)C1CC1 ZINC001332869011 975300523 /nfs/dbraw/zinc/30/05/23/975300523.db2.gz FVYBQIHPVKMQTK-UHFFFAOYSA-N 1 2 231.299 1.080 20 30 BDEDLO C#CC[N@@H+](Cc1[nH]nc2c1COCC2)C1CC1 ZINC001332869011 975300527 /nfs/dbraw/zinc/30/05/27/975300527.db2.gz FVYBQIHPVKMQTK-UHFFFAOYSA-N 1 2 231.299 1.080 20 30 BDEDLO CC(C)[NH+]1CC(Oc2cc(C#N)ccc2O)C1 ZINC001227347023 975367790 /nfs/dbraw/zinc/36/77/90/975367790.db2.gz ZFURMZYQMQHKPI-UHFFFAOYSA-N 1 2 232.283 1.735 20 30 BDEDLO CC1(C#N)CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001173593653 975458626 /nfs/dbraw/zinc/45/86/26/975458626.db2.gz LQGPGGLQQBMIGM-OTTFEQOBSA-N 1 2 232.331 1.256 20 30 BDEDLO CCCCN(O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001333202586 975558450 /nfs/dbraw/zinc/55/84/50/975558450.db2.gz HUKOAOYLVPTMBP-UHFFFAOYSA-N 1 2 241.291 1.368 20 30 BDEDLO C#CCN(C(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001333659439 975934577 /nfs/dbraw/zinc/93/45/77/975934577.db2.gz BRCCWTUNCWKWSF-NSHDSACASA-N 1 2 219.288 1.314 20 30 BDEDLO C#CC[C@@H]([NH2+]CCCC(F)(F)F)C(=O)OC ZINC001333834182 976112251 /nfs/dbraw/zinc/11/22/51/976112251.db2.gz SGABWYGQNQLFPA-MRVPVSSYSA-N 1 2 237.221 1.483 20 30 BDEDLO C#CC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC001334032408 976229715 /nfs/dbraw/zinc/22/97/15/976229715.db2.gz JFUIPWDTDBXEJR-UHFFFAOYSA-N 1 2 245.282 1.835 20 30 BDEDLO C#CC[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC001334032408 976229730 /nfs/dbraw/zinc/22/97/30/976229730.db2.gz JFUIPWDTDBXEJR-UHFFFAOYSA-N 1 2 245.282 1.835 20 30 BDEDLO Nc1ccccc1C(NO)=[NH+]c1cncc(F)c1 ZINC001174293095 976464956 /nfs/dbraw/zinc/46/49/56/976464956.db2.gz YLTUMABVXVGQAM-UHFFFAOYSA-N 1 2 246.245 1.860 20 30 BDEDLO C#Cc1cc(Nc2ccnc(OC)c2)cc[nH+]1 ZINC001174304899 976514528 /nfs/dbraw/zinc/51/45/28/976514528.db2.gz CFYPVHKTCUDPQH-UHFFFAOYSA-N 1 2 225.251 1.632 20 30 BDEDLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC2(C#N)CC2)n1 ZINC001335127737 976860907 /nfs/dbraw/zinc/86/09/07/976860907.db2.gz TUBPVNFOOQOOON-VHSXEESVSA-N 1 2 248.286 1.101 20 30 BDEDLO C=C(C)CNC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175094051 977266824 /nfs/dbraw/zinc/26/68/24/977266824.db2.gz FEHZSGWMUULUHT-UHFFFAOYSA-N 1 2 248.330 1.025 20 30 BDEDLO C=C(C)CNC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175094051 977266840 /nfs/dbraw/zinc/26/68/40/977266840.db2.gz FEHZSGWMUULUHT-UHFFFAOYSA-N 1 2 248.330 1.025 20 30 BDEDLO C[C@@H](CNc1nnccc1C#N)Cn1cc[nH+]c1 ZINC001336474612 977707881 /nfs/dbraw/zinc/70/78/81/977707881.db2.gz YNPUTPMVYYQGMZ-JTQLQIEISA-N 1 2 242.286 1.293 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001277554925 977717176 /nfs/dbraw/zinc/71/71/76/977717176.db2.gz HZWRDLZTYWCQRO-LLVKDONJSA-N 1 2 224.348 1.751 20 30 BDEDLO Cc1nn(C)cc1C[NH2+]C[C@@H](C#N)CCC#N ZINC001336815185 977979569 /nfs/dbraw/zinc/97/95/69/977979569.db2.gz YTKVBMBLHQVEPJ-LLVKDONJSA-N 1 2 231.303 1.262 20 30 BDEDLO COc1ccc(C[NH+]2CC(CC#N)C2)c(C)n1 ZINC001232332223 978007973 /nfs/dbraw/zinc/00/79/73/978007973.db2.gz OQUOIXQJPQSWIO-UHFFFAOYSA-N 1 2 231.299 1.744 20 30 BDEDLO Cc1[nH+]c(N)ccc1CN1C[C@@H](F)C[C@H]1C#N ZINC001232345496 978028156 /nfs/dbraw/zinc/02/81/56/978028156.db2.gz FJSMHONCNIPUKC-QWRGUYRKSA-N 1 2 234.278 1.408 20 30 BDEDLO C#CC[NH+]1CCN(Cc2c(C)cccc2F)CC1 ZINC001232484069 978136307 /nfs/dbraw/zinc/13/63/07/978136307.db2.gz USGSROPFUGHGCQ-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548028 978170243 /nfs/dbraw/zinc/17/02/43/978170243.db2.gz VTJUVNXYQWHZQS-SECBINFHSA-N 1 2 227.271 1.255 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548028 978170247 /nfs/dbraw/zinc/17/02/47/978170247.db2.gz VTJUVNXYQWHZQS-SECBINFHSA-N 1 2 227.271 1.255 20 30 BDEDLO C#CCN(CC1CC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001596409073 978208997 /nfs/dbraw/zinc/20/89/97/978208997.db2.gz IJCRMOPVRNBILC-UHFFFAOYSA-N 1 2 231.299 1.132 20 30 BDEDLO 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BDEDLO C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673794 978237408 /nfs/dbraw/zinc/23/74/08/978237408.db2.gz NQOHJVRPAYQZFI-GWCFXTLKSA-N 1 2 246.310 1.467 20 30 BDEDLO C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673693 978237457 /nfs/dbraw/zinc/23/74/57/978237457.db2.gz LDORAVYVSNMGLA-VIFPVBQESA-N 1 2 202.257 1.858 20 30 BDEDLO C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673693 978237472 /nfs/dbraw/zinc/23/74/72/978237472.db2.gz LDORAVYVSNMGLA-VIFPVBQESA-N 1 2 202.257 1.858 20 30 BDEDLO C[C@@]1(O)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232675574 978241479 /nfs/dbraw/zinc/24/14/79/978241479.db2.gz QIMKXLJOESJINQ-CYBMUJFWSA-N 1 2 232.283 1.221 20 30 BDEDLO C[C@@]1(O)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232675574 978241487 /nfs/dbraw/zinc/24/14/87/978241487.db2.gz QIMKXLJOESJINQ-CYBMUJFWSA-N 1 2 232.283 1.221 20 30 BDEDLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232677516 978246409 /nfs/dbraw/zinc/24/64/09/978246409.db2.gz FBLNKYPJAJNAEV-MFKMUULPSA-N 1 2 246.310 1.609 20 30 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233.315 1.641 20 30 BDEDLO COCn1ncc(C)c1C[NH2+][C@H](C)CC#N ZINC001461724676 986126566 /nfs/dbraw/zinc/12/65/66/986126566.db2.gz PQOWHEMVIWGEDM-SNVBAGLBSA-N 1 2 222.292 1.187 20 30 BDEDLO C[C@H](C#N)OCCSCCn1cc[nH+]c1 ZINC000802752093 986402124 /nfs/dbraw/zinc/40/21/24/986402124.db2.gz OASDCHOROJTLDG-SNVBAGLBSA-N 1 2 225.317 1.545 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001464504143 986638649 /nfs/dbraw/zinc/63/86/49/986638649.db2.gz VJXVKJRHBRLOSH-SNVBAGLBSA-N 1 2 244.298 1.008 20 30 BDEDLO Cc1c(CN(C)[C@H](C)C#N)[nH+]c2ccccn12 ZINC001137275644 986708160 /nfs/dbraw/zinc/70/81/60/986708160.db2.gz FVGPISPKZPZSDF-SNVBAGLBSA-N 1 2 228.299 1.987 20 30 BDEDLO N#C[C@@H]1CC[C@@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001254660230 986709291 /nfs/dbraw/zinc/70/92/91/986709291.db2.gz GZQLIBHWTISSAG-NXEZZACHSA-N 1 2 229.274 1.219 20 30 BDEDLO CC(C)(C)N1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254670403 986719485 /nfs/dbraw/zinc/71/94/85/986719485.db2.gz JGINQPBJXBIGJB-VXGBXAGGSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)(C)N1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254670403 986719500 /nfs/dbraw/zinc/71/95/00/986719500.db2.gz JGINQPBJXBIGJB-VXGBXAGGSA-N 1 2 249.358 1.621 20 30 BDEDLO Cc1ccc2[nH+]cc(CN3CC[C@@H](C#N)C3)n2c1 ZINC001137310057 986742518 /nfs/dbraw/zinc/74/25/18/986742518.db2.gz GDPGGGSNSGUPBR-LBPRGKRZSA-N 1 2 240.310 1.988 20 30 BDEDLO CC(C)(CC#N)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001468844419 986943129 /nfs/dbraw/zinc/94/31/29/986943129.db2.gz QDMPKYKNOLSHBL-UHFFFAOYSA-N 1 2 234.303 1.398 20 30 BDEDLO CC(C)(CC#N)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001468844419 986943137 /nfs/dbraw/zinc/94/31/37/986943137.db2.gz QDMPKYKNOLSHBL-UHFFFAOYSA-N 1 2 234.303 1.398 20 30 BDEDLO CCC#C[C@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001473877274 987596920 /nfs/dbraw/zinc/59/69/20/987596920.db2.gz MHRQRMJARWHTBW-NSHDSACASA-N 1 2 205.305 1.654 20 30 BDEDLO CCC#C[C@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001473877274 987596929 /nfs/dbraw/zinc/59/69/29/987596929.db2.gz MHRQRMJARWHTBW-NSHDSACASA-N 1 2 205.305 1.654 20 30 BDEDLO C=CCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001116724828 987681970 /nfs/dbraw/zinc/68/19/70/987681970.db2.gz FWMUVWNMYWZMPN-JTQLQIEISA-N 1 2 207.277 1.479 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116914847 987757298 /nfs/dbraw/zinc/75/72/98/987757298.db2.gz GWRXVEWAVYZEBR-MNOVXSKESA-N 1 2 221.304 1.915 20 30 BDEDLO N#CCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001117449839 987838778 /nfs/dbraw/zinc/83/87/78/987838778.db2.gz ORPMMZHKISMNAN-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC ZINC001479241618 987895080 /nfs/dbraw/zinc/89/50/80/987895080.db2.gz RELIWPFXTLVNQK-GFCCVEGCSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC ZINC001479241618 987895082 /nfs/dbraw/zinc/89/50/82/987895082.db2.gz RELIWPFXTLVNQK-GFCCVEGCSA-N 1 2 236.359 1.589 20 30 BDEDLO CO[NH+]=Cc1sc(N2CCOCC2)nc1C ZINC001321566492 987943505 /nfs/dbraw/zinc/94/35/05/987943505.db2.gz XZIMXDBQVCTOHQ-UHFFFAOYSA-N 1 2 241.316 1.268 20 30 BDEDLO C=CCN(CCOC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321852864 988032092 /nfs/dbraw/zinc/03/20/92/988032092.db2.gz FUNRNCSUJRPIKP-LLVKDONJSA-N 1 2 237.303 1.105 20 30 BDEDLO C=C(C)CCC(=O)NC1C[NH+](CCOCC)C1 ZINC001494394680 988146045 /nfs/dbraw/zinc/14/60/45/988146045.db2.gz RBBDICQSISMRQE-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001322857059 988389193 /nfs/dbraw/zinc/38/91/93/988389193.db2.gz NLCZECZSNMZZGB-SNVBAGLBSA-N 1 2 220.276 1.206 20 30 BDEDLO C#C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001323290071 988486815 /nfs/dbraw/zinc/48/68/15/988486815.db2.gz IBSXEPNMEIWKQF-QWRGUYRKSA-N 1 2 233.315 1.608 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC001118945074 988723087 /nfs/dbraw/zinc/72/30/87/988723087.db2.gz YRHHVFMYCPNWFF-GFCCVEGCSA-N 1 2 235.331 1.803 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC001118945074 988723110 /nfs/dbraw/zinc/72/31/10/988723110.db2.gz YRHHVFMYCPNWFF-GFCCVEGCSA-N 1 2 235.331 1.803 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2ccn(C)n2)cn1C ZINC001325205064 989120234 /nfs/dbraw/zinc/12/02/34/989120234.db2.gz FJHLWGHLVMQORT-UHFFFAOYSA-N 1 2 232.291 1.298 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(OC)c(OC)c1F ZINC001248756125 989147830 /nfs/dbraw/zinc/14/78/30/989147830.db2.gz PNVWKPMQTVLLQQ-UHFFFAOYSA-N 1 2 237.274 1.908 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(OC)c(OC)c1F ZINC001248756125 989147836 /nfs/dbraw/zinc/14/78/36/989147836.db2.gz PNVWKPMQTVLLQQ-UHFFFAOYSA-N 1 2 237.274 1.908 20 30 BDEDLO C#CC[N@H+](CN1C(=O)CC12CCC2)C(C)C ZINC001119559092 989165021 /nfs/dbraw/zinc/16/50/21/989165021.db2.gz GKQMHCRNHBEBOV-UHFFFAOYSA-N 1 2 220.316 1.443 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)CC12CCC2)C(C)C ZINC001119559092 989165025 /nfs/dbraw/zinc/16/50/25/989165025.db2.gz GKQMHCRNHBEBOV-UHFFFAOYSA-N 1 2 220.316 1.443 20 30 BDEDLO CCn1c[nH+]cc1COC(=O)CSCC#N ZINC001518047334 989277924 /nfs/dbraw/zinc/27/79/24/989277924.db2.gz DUZMHBCPOQJGSO-UHFFFAOYSA-N 1 2 239.300 1.203 20 30 BDEDLO CN(C(=O)CCc1[nH+]ccn1C)C1(C#N)CCC1 ZINC001519020125 989371103 /nfs/dbraw/zinc/37/11/03/989371103.db2.gz LHKFQAQSFRAOPA-UHFFFAOYSA-N 1 2 246.314 1.257 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001528502840 990293800 /nfs/dbraw/zinc/29/38/00/990293800.db2.gz WCDNCKDWIPQEIO-WDEREUQCSA-N 1 2 246.314 1.161 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(OC)ccc1F ZINC001137996204 990874718 /nfs/dbraw/zinc/87/47/18/990874718.db2.gz BMORBAZFEYDUBE-UHFFFAOYSA-N 1 2 207.248 1.899 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(OC)ccc1F ZINC001137996204 990874722 /nfs/dbraw/zinc/87/47/22/990874722.db2.gz BMORBAZFEYDUBE-UHFFFAOYSA-N 1 2 207.248 1.899 20 30 BDEDLO C=C[C@H](C)ONC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001557325299 990885233 /nfs/dbraw/zinc/88/52/33/990885233.db2.gz ABXZRNRIOVOWEL-UWVGGRQHSA-N 1 2 230.283 1.043 20 30 BDEDLO C=C[C@H](C)ONC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001557325299 990885235 /nfs/dbraw/zinc/88/52/35/990885235.db2.gz ABXZRNRIOVOWEL-UWVGGRQHSA-N 1 2 230.283 1.043 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccn(CC)n1)[C@H]1CCCO1 ZINC001308377331 990977096 /nfs/dbraw/zinc/97/70/96/990977096.db2.gz DOLJKHZGPPDNRA-CHWSQXEVSA-N 1 2 233.315 1.173 20 30 BDEDLO C=CCc1cccc(CN2CC[NH+](C)CC2)c1O ZINC001138624253 990982232 /nfs/dbraw/zinc/98/22/32/990982232.db2.gz LRNGWWPAXVRRHD-UHFFFAOYSA-N 1 2 246.354 1.868 20 30 BDEDLO C#CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001559027615 991023680 /nfs/dbraw/zinc/02/36/80/991023680.db2.gz GSUZCQJLXXFFNY-ZDUSSCGKSA-N 1 2 239.278 1.374 20 30 BDEDLO Cc1c[nH]c(Nc2cc(C#N)cnn2)[nH+]1 ZINC001559135408 991037503 /nfs/dbraw/zinc/03/75/03/991037503.db2.gz JEFYGEPMLNMGDX-UHFFFAOYSA-N 1 2 200.205 1.123 20 30 BDEDLO C=CCn1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC001139765290 991357196 /nfs/dbraw/zinc/35/71/96/991357196.db2.gz APDPNOCMFPQSCP-RYUDHWBXSA-N 1 2 235.331 1.678 20 30 BDEDLO C=CCn1cc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC001139766627 991357315 /nfs/dbraw/zinc/35/73/15/991357315.db2.gz RNHSJFSJDCWEFD-UHFFFAOYSA-N 1 2 245.330 1.435 20 30 BDEDLO C=CCn1cc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC001139766627 991357323 /nfs/dbraw/zinc/35/73/23/991357323.db2.gz RNHSJFSJDCWEFD-UHFFFAOYSA-N 1 2 245.330 1.435 20 30 BDEDLO CC1(C)CC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001258600538 991503753 /nfs/dbraw/zinc/50/37/53/991503753.db2.gz LSEPAKIDGWKNSW-MNOVXSKESA-N 1 2 207.321 1.362 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(O)cc2F)CC1 ZINC001140128698 991528295 /nfs/dbraw/zinc/52/82/95/991528295.db2.gz ZMXXGIGMFBQUHS-UHFFFAOYSA-N 1 2 248.301 1.282 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccncc2O)CC1 ZINC001140279086 991598085 /nfs/dbraw/zinc/59/80/85/991598085.db2.gz ZYAQRXWFXCLARX-UHFFFAOYSA-N 1 2 233.315 1.091 20 30 BDEDLO C=CC[NH+]1CCN(Cc2ccncc2O)CC1 ZINC001140279086 991598093 /nfs/dbraw/zinc/59/80/93/991598093.db2.gz ZYAQRXWFXCLARX-UHFFFAOYSA-N 1 2 233.315 1.091 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)OC ZINC001560880125 991635445 /nfs/dbraw/zinc/63/54/45/991635445.db2.gz XAVYSANLLRNWBT-ZDEQEGDKSA-N 1 2 235.327 1.720 20 30 BDEDLO Cc1[nH]c2ccc(NC(=O)[C@@H]3C[C@@H]3C#N)cc2[nH+]1 ZINC001566329111 991841748 /nfs/dbraw/zinc/84/17/48/991841748.db2.gz NSGRRJKDIOTBHY-PSASIEDQSA-N 1 2 240.266 1.970 20 30 BDEDLO N#CCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319626318 991912942 /nfs/dbraw/zinc/91/29/42/991912942.db2.gz AUQVOZHLEYRICD-NSHDSACASA-N 1 2 246.314 1.256 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CC[C@@H](C)OC)C1 ZINC001567790145 992095993 /nfs/dbraw/zinc/09/59/93/992095993.db2.gz GBSIXPDMGWVHIN-LLVKDONJSA-N 1 2 240.347 1.178 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001567821159 992105409 /nfs/dbraw/zinc/10/54/09/992105409.db2.gz HGXQVOPEFBSQBP-LLVKDONJSA-N 1 2 245.326 1.364 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001320282429 992155984 /nfs/dbraw/zinc/15/59/84/992155984.db2.gz VCXQNGLVGZHWEC-JTQLQIEISA-N 1 2 237.303 1.275 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001320282429 992155991 /nfs/dbraw/zinc/15/59/91/992155991.db2.gz VCXQNGLVGZHWEC-JTQLQIEISA-N 1 2 237.303 1.275 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)SC ZINC001569353907 992369645 /nfs/dbraw/zinc/36/96/45/992369645.db2.gz NABBKRBMLCQVSG-QWRGUYRKSA-N 1 2 242.388 1.505 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)SC ZINC001569353907 992369652 /nfs/dbraw/zinc/36/96/52/992369652.db2.gz NABBKRBMLCQVSG-QWRGUYRKSA-N 1 2 242.388 1.505 20 30 BDEDLO Cn1c[nH+]cc1CCNC(=O)CCCCC#N ZINC001261549051 992377033 /nfs/dbraw/zinc/37/70/33/992377033.db2.gz JVSQMPJRXZQUFE-UHFFFAOYSA-N 1 2 234.303 1.163 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cnc(CC)o1)[C@H]1CCCO1 ZINC001262262118 992827006 /nfs/dbraw/zinc/82/70/06/992827006.db2.gz HMJMJKWEZVGUJW-VXGBXAGGSA-N 1 2 234.299 1.507 20 30 BDEDLO C[C@H](CC#N)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263542383 993377155 /nfs/dbraw/zinc/37/71/55/993377155.db2.gz HGPUVBRLCIEBMO-SNVBAGLBSA-N 1 2 235.287 1.711 20 30 BDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCC)C1 ZINC001282683701 994244084 /nfs/dbraw/zinc/24/40/84/994244084.db2.gz YAUOHOYZKWGHLZ-SNVBAGLBSA-N 1 2 244.766 1.976 20 30 BDEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](CF)C2)c1=O ZINC001333808131 994524015 /nfs/dbraw/zinc/52/40/15/994524015.db2.gz SNNKZFJWQVHHCW-LLVKDONJSA-N 1 2 249.289 1.359 20 30 BDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](CF)C2)c1=O ZINC001333808131 994524026 /nfs/dbraw/zinc/52/40/26/994524026.db2.gz SNNKZFJWQVHHCW-LLVKDONJSA-N 1 2 249.289 1.359 20 30 BDEDLO C=CCO[C@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC001334981994 994661324 /nfs/dbraw/zinc/66/13/24/994661324.db2.gz JHHNQXUIJBIWOM-JTQLQIEISA-N 1 2 234.303 1.300 20 30 BDEDLO C=CCO[C@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC001334981994 994661330 /nfs/dbraw/zinc/66/13/30/994661330.db2.gz JHHNQXUIJBIWOM-JTQLQIEISA-N 1 2 234.303 1.300 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)NCC(C)(C)CC#N ZINC001299139518 994976548 /nfs/dbraw/zinc/97/65/48/994976548.db2.gz HIABXLLBDAPGDP-UHFFFAOYSA-N 1 2 234.303 1.019 20 30 BDEDLO CC(C)C[C@H](C(=O)NC[C@H](C)C#N)n1cc[nH+]c1 ZINC000602097637 349440000 /nfs/dbraw/zinc/44/00/00/349440000.db2.gz OUBNISGZPKGDDK-VXGBXAGGSA-N 1 2 248.330 1.746 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC000602093174 349447629 /nfs/dbraw/zinc/44/76/29/349447629.db2.gz LXOGOQHDTGELMS-NXEZZACHSA-N 1 2 244.298 1.466 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC000602093174 349447630 /nfs/dbraw/zinc/44/76/30/349447630.db2.gz LXOGOQHDTGELMS-NXEZZACHSA-N 1 2 244.298 1.466 20 30 BDEDLO N#CCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602149914 349454131 /nfs/dbraw/zinc/45/41/31/349454131.db2.gz XZJHRYQCFGDSBA-NXEZZACHSA-N 1 2 244.298 1.323 20 30 BDEDLO N#CCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602149914 349454133 /nfs/dbraw/zinc/45/41/33/349454133.db2.gz XZJHRYQCFGDSBA-NXEZZACHSA-N 1 2 244.298 1.323 20 30 BDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)C#N ZINC000602188354 349469120 /nfs/dbraw/zinc/46/91/20/349469120.db2.gz PHZWHPLFDYIGPN-OPRDCNLKSA-N 1 2 232.287 1.274 20 30 BDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)C#N ZINC000602188354 349469123 /nfs/dbraw/zinc/46/91/23/349469123.db2.gz 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/nfs/dbraw/zinc/64/93/08/349649308.db2.gz ROCYUFOIUOQAHG-UWVGGRQHSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000602631646 349649310 /nfs/dbraw/zinc/64/93/10/349649310.db2.gz ROCYUFOIUOQAHG-UWVGGRQHSA-N 1 2 232.274 1.628 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492776223 529492064 /nfs/dbraw/zinc/49/20/64/529492064.db2.gz ZAUYWZARWLZMDH-ZWNMCFTASA-N 1 2 218.260 1.231 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000602734647 349720165 /nfs/dbraw/zinc/72/01/65/349720165.db2.gz QHCYZYNQMLCKLR-WDEREUQCSA-N 1 2 229.320 1.509 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000602737966 349722101 /nfs/dbraw/zinc/72/21/01/349722101.db2.gz DVAWFEFXUGOJHX-MXWKQRLJSA-N 1 2 229.320 1.507 20 30 BDEDLO CCc1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000602747561 349711859 /nfs/dbraw/zinc/71/18/59/349711859.db2.gz BBEBKOUBJGLKPO-UHFFFAOYSA-N 1 2 247.342 1.873 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC 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ZINC000609175602 343333125 /nfs/dbraw/zinc/33/31/25/343333125.db2.gz NZQUCSAHEJBSPT-NSHDSACASA-N 1 2 234.303 1.424 20 30 BDEDLO C=C(C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641069841 362181737 /nfs/dbraw/zinc/18/17/37/362181737.db2.gz PPLWENBGKWSSFZ-UHFFFAOYSA-N 1 2 217.276 1.489 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000299194298 343394955 /nfs/dbraw/zinc/39/49/55/343394955.db2.gz DRYGOACWHQMNDU-CQSZACIVSA-N 1 2 248.370 1.589 20 30 BDEDLO C=CCN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000105814274 136363757 /nfs/dbraw/zinc/36/37/57/136363757.db2.gz NJCDGKVVIXTTRP-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO C=CC[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000105814274 136363758 /nfs/dbraw/zinc/36/37/58/136363758.db2.gz NJCDGKVVIXTTRP-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO CO[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329356914 136365234 /nfs/dbraw/zinc/36/52/34/136365234.db2.gz WJMTXGHJKWWCQP-MWLCHTKSSA-N 1 2 237.303 1.866 20 30 BDEDLO CO[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329356914 136365235 /nfs/dbraw/zinc/36/52/35/136365235.db2.gz WJMTXGHJKWWCQP-MWLCHTKSSA-N 1 2 237.303 1.866 20 30 BDEDLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCc2cccnc21 ZINC000329407933 136365586 /nfs/dbraw/zinc/36/55/86/136365586.db2.gz XMLZMNIFYLBNDE-SNVBAGLBSA-N 1 2 242.282 1.991 20 30 BDEDLO C=CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000048844342 136372801 /nfs/dbraw/zinc/37/28/01/136372801.db2.gz IDNBGCXFXMEZEK-UHFFFAOYSA-N 1 2 244.298 1.628 20 30 BDEDLO C=C[C@@H]([NH2+]CC1CC(F)(F)C1)C(=O)OC ZINC000308954920 346943224 /nfs/dbraw/zinc/94/32/24/346943224.db2.gz QGLIYGJIWQIAED-MRVPVSSYSA-N 1 2 219.231 1.349 20 30 BDEDLO CC[N@H+](Cc1cc[nH]c(=O)c1)[C@H](C)C#N ZINC000602904364 349817196 /nfs/dbraw/zinc/81/71/96/349817196.db2.gz WWDJKYGIAGPWHK-SECBINFHSA-N 1 2 205.261 1.521 20 30 BDEDLO CC[N@@H+](Cc1cc[nH]c(=O)c1)[C@H](C)C#N ZINC000602904364 349817199 /nfs/dbraw/zinc/81/71/99/349817199.db2.gz WWDJKYGIAGPWHK-SECBINFHSA-N 1 2 205.261 1.521 20 30 BDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)CC1 ZINC000071140370 343621390 /nfs/dbraw/zinc/62/13/90/343621390.db2.gz IMOUOXRADBGPND-UHFFFAOYSA-N 1 2 234.274 1.654 20 30 BDEDLO COCc1ncc2c(n1)CC[N@@H+](CCCC#N)C2 ZINC000602929309 349821688 /nfs/dbraw/zinc/82/16/88/349821688.db2.gz WNGGWSCVWXQFKC-UHFFFAOYSA-N 1 2 246.314 1.285 20 30 BDEDLO COCc1ncc2c(n1)CC[N@H+](CCCC#N)C2 ZINC000602929309 349821691 /nfs/dbraw/zinc/82/16/91/349821691.db2.gz WNGGWSCVWXQFKC-UHFFFAOYSA-N 1 2 246.314 1.285 20 30 BDEDLO Cc1ccc(NC(=O)NC[C@H](C)C#N)c(C)[nH+]1 ZINC000176501870 365788100 /nfs/dbraw/zinc/78/81/00/365788100.db2.gz PLWUELACPNOORR-MRVPVSSYSA-N 1 2 232.287 1.980 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCC[C@H]2C#N)C1=O ZINC000602982556 349833578 /nfs/dbraw/zinc/83/35/78/349833578.db2.gz UTLXZSFINKAWDH-AVGNSLFASA-N 1 2 247.342 1.397 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[C@H]2C#N)C1=O ZINC000602982556 349833580 /nfs/dbraw/zinc/83/35/80/349833580.db2.gz UTLXZSFINKAWDH-AVGNSLFASA-N 1 2 247.342 1.397 20 30 BDEDLO N#CCC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987748 349838531 /nfs/dbraw/zinc/83/85/31/349838531.db2.gz PYGQLURPVXXARU-JGVFFNPUSA-N 1 2 222.210 1.003 20 30 BDEDLO N#CCC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987748 349838533 /nfs/dbraw/zinc/83/85/33/349838533.db2.gz PYGQLURPVXXARU-JGVFFNPUSA-N 1 2 222.210 1.003 20 30 BDEDLO CCCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974288 349839231 /nfs/dbraw/zinc/83/92/31/349839231.db2.gz MAVVMZCFJNVMNR-VXGBXAGGSA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974288 349839234 /nfs/dbraw/zinc/83/92/34/349839234.db2.gz MAVVMZCFJNVMNR-VXGBXAGGSA-N 1 2 237.347 1.527 20 30 BDEDLO C=C(C)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000187898706 259370269 /nfs/dbraw/zinc/37/02/69/259370269.db2.gz GHEFAGVJHAEXBR-UHFFFAOYSA-N 1 2 244.298 1.710 20 30 BDEDLO Cc1cc(NC2CC(C)(F)C2)c(C#N)c[nH+]1 ZINC000335093129 343927198 /nfs/dbraw/zinc/92/71/98/343927198.db2.gz GXZNRIVVHNNJNM-UHFFFAOYSA-N 1 2 219.263 1.986 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)CCCCCC#N ZINC000588630539 344163832 /nfs/dbraw/zinc/16/38/32/344163832.db2.gz YEYPOINXAKLQET-UHFFFAOYSA-N 1 2 234.303 1.808 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000588675909 344172345 /nfs/dbraw/zinc/17/23/45/344172345.db2.gz BHGDBYUQMLHLDY-ZDUSSCGKSA-N 1 2 246.314 1.115 20 30 BDEDLO C=C(C)COCCNc1cc(C)[nH+]cn1 ZINC000131353276 344231419 /nfs/dbraw/zinc/23/14/19/344231419.db2.gz AVRYTHKKTGHIKV-UHFFFAOYSA-N 1 2 207.277 1.790 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000600615387 344337186 /nfs/dbraw/zinc/33/71/86/344337186.db2.gz OEEVYSUOECHKGB-MWLCHTKSSA-N 1 2 221.304 1.032 20 30 BDEDLO C=CC[C@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000186718363 537845689 /nfs/dbraw/zinc/84/56/89/537845689.db2.gz QAVCAXAIMKOWBD-PSASIEDQSA-N 1 2 209.293 1.306 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000104352015 344458278 /nfs/dbraw/zinc/45/82/78/344458278.db2.gz YVIFUGSLLNROHE-LBPRGKRZSA-N 1 2 234.303 1.472 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccnc(C#N)c2)cn1 ZINC000068766089 344494097 /nfs/dbraw/zinc/49/40/97/344494097.db2.gz FSKVHJUAHSSORD-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccnc(C#N)c2)cn1 ZINC000068766089 344494099 /nfs/dbraw/zinc/49/40/99/344494099.db2.gz FSKVHJUAHSSORD-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1ncnn1CCC ZINC000684094379 488266278 /nfs/dbraw/zinc/26/62/78/488266278.db2.gz KOOCGPCSQSSZIU-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1ncnn1CCC ZINC000684094379 488266280 /nfs/dbraw/zinc/26/62/80/488266280.db2.gz KOOCGPCSQSSZIU-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO CCC[C@H](C#N)NC(=O)CCn1cc[nH+]c1 ZINC000309407964 347058449 /nfs/dbraw/zinc/05/84/49/347058449.db2.gz VEPJKYFIJHSVHN-SNVBAGLBSA-N 1 2 220.276 1.082 20 30 BDEDLO COc1cc(C#N)ccc1NCc1c[nH+]cn1C ZINC000127972499 344696081 /nfs/dbraw/zinc/69/60/81/344696081.db2.gz TUBPUEVTPUGBQO-UHFFFAOYSA-N 1 2 242.282 1.912 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1ccccc1F ZINC000076185655 344799079 /nfs/dbraw/zinc/79/90/79/344799079.db2.gz AFYJOBYPJBMFAD-CQSZACIVSA-N 1 2 231.270 1.428 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)C1(C#N)CCC1 ZINC000119659997 344857530 /nfs/dbraw/zinc/85/75/30/344857530.db2.gz ABSGVKFLLSFFBI-UHFFFAOYSA-N 1 2 231.255 1.723 20 30 BDEDLO N#CCCCN1CC[NH+](Cc2cccnc2)CC1 ZINC000119766296 344862845 /nfs/dbraw/zinc/86/28/45/344862845.db2.gz BYZWYTGSAYVGAR-UHFFFAOYSA-N 1 2 244.342 1.503 20 30 BDEDLO O=C(Cn1cc[nH+]c1)NCC#Cc1ccccc1 ZINC000042568054 344873548 /nfs/dbraw/zinc/87/35/48/344873548.db2.gz JJUWUZBGPDSCIM-UHFFFAOYSA-N 1 2 239.278 1.051 20 30 BDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1(C#N)CC1 ZINC000408260314 344960400 /nfs/dbraw/zinc/96/04/00/344960400.db2.gz UIHQHYCVUZFJDE-SRVKXCTJSA-N 1 2 248.326 1.564 20 30 BDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1(C#N)CC1 ZINC000408260314 344960403 /nfs/dbraw/zinc/96/04/03/344960403.db2.gz UIHQHYCVUZFJDE-SRVKXCTJSA-N 1 2 248.326 1.564 20 30 BDEDLO Cc1cc(N[C@@H](C)c2ccon2)c(C#N)c[nH+]1 ZINC000425241646 192085381 /nfs/dbraw/zinc/08/53/81/192085381.db2.gz AQZKRVNJVREREO-VIFPVBQESA-N 1 2 228.255 1.845 20 30 BDEDLO Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C#N)c[nH+]1 ZINC000425231252 192085206 /nfs/dbraw/zinc/08/52/06/192085206.db2.gz SCVOCOMDOCVHPV-RTXFEEFZSA-N 1 2 229.283 1.415 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641625120 362558093 /nfs/dbraw/zinc/55/80/93/362558093.db2.gz SETVPVAMDRDWEP-VIFPVBQESA-N 1 2 210.252 1.382 20 30 BDEDLO Cc1cc(NCCC2CC(O)C2)c(C#N)c[nH+]1 ZINC000425263938 192086360 /nfs/dbraw/zinc/08/63/60/192086360.db2.gz VRKYQEOHBHUJRT-UHFFFAOYSA-N 1 2 231.299 1.257 20 30 BDEDLO Cc1ccc2[nH+]c(CN(C)CC#N)cn2c1 ZINC000084073532 345510700 /nfs/dbraw/zinc/51/07/00/345510700.db2.gz KEINVDTUWCBTNA-UHFFFAOYSA-N 1 2 214.272 1.598 20 30 BDEDLO C=CCOCCCNc1cc(CO)cc[nH+]1 ZINC000641658826 362583348 /nfs/dbraw/zinc/58/33/48/362583348.db2.gz KHHXLOPURMBCET-UHFFFAOYSA-N 1 2 222.288 1.000 20 30 BDEDLO C#CC[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000085821572 345535862 /nfs/dbraw/zinc/53/58/62/345535862.db2.gz ANRAUMYCDXZLPN-UHFFFAOYSA-N 1 2 237.372 1.119 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000363522626 345758524 /nfs/dbraw/zinc/75/85/24/345758524.db2.gz QATVXKDUPSNGSS-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO CNc1cc(N2CCC(C#N)CC2)nc[nH+]1 ZINC000258724950 345782771 /nfs/dbraw/zinc/78/27/71/345782771.db2.gz MGEJYRPXMWXJQB-UHFFFAOYSA-N 1 2 217.276 1.258 20 30 BDEDLO CNc1cc(N2CCC(C#N)CC2)[nH+]cn1 ZINC000258724950 345782774 /nfs/dbraw/zinc/78/27/74/345782774.db2.gz MGEJYRPXMWXJQB-UHFFFAOYSA-N 1 2 217.276 1.258 20 30 BDEDLO C=CCCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635809841 346073338 /nfs/dbraw/zinc/07/33/38/346073338.db2.gz BJMMZMVHEUHEOZ-UHFFFAOYSA-N 1 2 235.331 1.987 20 30 BDEDLO CC#CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635971003 346128008 /nfs/dbraw/zinc/12/80/08/346128008.db2.gz SEGGGKILCCHMRB-ZDUSSCGKSA-N 1 2 247.342 1.952 20 30 BDEDLO C=C[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000291522675 346392045 /nfs/dbraw/zinc/39/20/45/346392045.db2.gz JJQNOBJRBCDAIC-VIFPVBQESA-N 1 2 227.691 1.682 20 30 BDEDLO CC[C@@H](Nc1cncc(C#N)n1)c1[nH]cc[nH+]1 ZINC000401231940 346502586 /nfs/dbraw/zinc/50/25/86/346502586.db2.gz OBSFPUGRXVBSBD-SECBINFHSA-N 1 2 228.259 1.635 20 30 BDEDLO N#CCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000589699271 346728649 /nfs/dbraw/zinc/72/86/49/346728649.db2.gz USWCHWWNEXWOHI-LBPRGKRZSA-N 1 2 246.314 1.740 20 30 BDEDLO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ncn1 ZINC000589991033 346760475 /nfs/dbraw/zinc/76/04/75/346760475.db2.gz ZNMOJAJLFWORMS-ZDUSSCGKSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ncn1 ZINC000589991033 346760476 /nfs/dbraw/zinc/76/04/76/346760476.db2.gz ZNMOJAJLFWORMS-ZDUSSCGKSA-N 1 2 230.315 1.911 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccsc1 ZINC000589826970 346741634 /nfs/dbraw/zinc/74/16/34/346741634.db2.gz OKLMCYQXBPLOLP-LLVKDONJSA-N 1 2 237.328 1.322 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000590161144 346784382 /nfs/dbraw/zinc/78/43/82/346784382.db2.gz DBSWYHYMSICULD-OPRDCNLKSA-N 1 2 248.248 1.942 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000590161144 346784384 /nfs/dbraw/zinc/78/43/84/346784384.db2.gz DBSWYHYMSICULD-OPRDCNLKSA-N 1 2 248.248 1.942 20 30 BDEDLO Cc1cc(C)c(C[NH2+]CCC#N)c(=O)[nH]1 ZINC000380334517 346806411 /nfs/dbraw/zinc/80/64/11/346806411.db2.gz PMZWRAWBAMPVGT-UHFFFAOYSA-N 1 2 205.261 1.407 20 30 BDEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000183819389 347137166 /nfs/dbraw/zinc/13/71/66/347137166.db2.gz WQUZAZNISKUPAK-SECBINFHSA-N 1 2 249.270 1.853 20 30 BDEDLO C=CC[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000186530344 347236660 /nfs/dbraw/zinc/23/66/60/347236660.db2.gz FNTNGBKWXJNTCF-LLVKDONJSA-N 1 2 249.314 1.757 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927514 347454467 /nfs/dbraw/zinc/45/44/67/347454467.db2.gz KKLNAWJMCAGIGR-JTQLQIEISA-N 1 2 221.304 1.970 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927514 347454470 /nfs/dbraw/zinc/45/44/70/347454470.db2.gz KKLNAWJMCAGIGR-JTQLQIEISA-N 1 2 221.304 1.970 20 30 BDEDLO Cc1cccc2[nH+]c(Cn3cc(C#N)cn3)cn21 ZINC000337935206 179229191 /nfs/dbraw/zinc/22/91/91/179229191.db2.gz GMESXOVIMNRLNG-UHFFFAOYSA-N 1 2 237.266 1.759 20 30 BDEDLO C=CCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590845354 347572649 /nfs/dbraw/zinc/57/26/49/347572649.db2.gz STVDWWTXABLOEL-NSHDSACASA-N 1 2 234.303 1.416 20 30 BDEDLO C=CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590845353 347572890 /nfs/dbraw/zinc/57/28/90/347572890.db2.gz STVDWWTXABLOEL-LLVKDONJSA-N 1 2 234.303 1.416 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C(=O)OC ZINC000591376457 347650552 /nfs/dbraw/zinc/65/05/52/347650552.db2.gz JOFNRONSFAYICE-GHMZBOCLSA-N 1 2 241.331 1.509 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000592148325 347740947 /nfs/dbraw/zinc/74/09/47/347740947.db2.gz UDIOFDNSHSQCIB-CQSZACIVSA-N 1 2 241.294 1.409 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000592148325 347740948 /nfs/dbraw/zinc/74/09/48/347740948.db2.gz UDIOFDNSHSQCIB-CQSZACIVSA-N 1 2 241.294 1.409 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)CCn1cc[nH+]c1 ZINC000390672310 259397654 /nfs/dbraw/zinc/39/76/54/259397654.db2.gz TWZBQDHTZJTCIG-LLVKDONJSA-N 1 2 220.276 1.082 20 30 BDEDLO CN(Cc1[nH+]ccn1C)Cc1ccc(C#N)cn1 ZINC000577289734 365918709 /nfs/dbraw/zinc/91/87/09/365918709.db2.gz JFWYJSDHCLDWTJ-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO CCCN(CC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593038158 347843101 /nfs/dbraw/zinc/84/31/01/347843101.db2.gz YHSPXVGELAGPSD-NSHDSACASA-N 1 2 234.303 1.596 20 30 BDEDLO CC[C@H]1C[N@H+](CC2(C#N)CC2)[C@@H](C)CO1 ZINC000593061700 347848861 /nfs/dbraw/zinc/84/88/61/347848861.db2.gz LOHBRGQYMYKFCI-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](C)CO1 ZINC000593061700 347848865 /nfs/dbraw/zinc/84/88/65/347848865.db2.gz LOHBRGQYMYKFCI-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264254781 166275429 /nfs/dbraw/zinc/27/54/29/166275429.db2.gz BUVAYDXLJOOUGF-SNVBAGLBSA-N 1 2 237.303 1.018 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC(C)(F)F ZINC000593155283 347867044 /nfs/dbraw/zinc/86/70/44/347867044.db2.gz JIFADMLUJSFMJX-SNVBAGLBSA-N 1 2 247.289 1.382 20 30 BDEDLO CC(C)(NC(=O)CC1(C#N)CC1)c1[nH]cc[nH+]1 ZINC000593736535 347938462 /nfs/dbraw/zinc/93/84/62/347938462.db2.gz BVQPRFGQYCEPLE-UHFFFAOYSA-N 1 2 232.287 1.455 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000593736649 347938485 /nfs/dbraw/zinc/93/84/85/347938485.db2.gz DFHZSBOJGFLYFA-AEJSXWLSSA-N 1 2 232.287 1.555 20 30 BDEDLO CC[C@@H](C#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000593736589 347938517 /nfs/dbraw/zinc/93/85/17/347938517.db2.gz CMGLXVGTDJGYSQ-QMMMGPOBSA-N 1 2 220.276 1.311 20 30 BDEDLO CC[C@H](C#N)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000594087886 348004286 /nfs/dbraw/zinc/00/42/86/348004286.db2.gz DYQSISHZDAKNRJ-LLVKDONJSA-N 1 2 234.303 1.424 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1(CSC)CC1)C(=O)OC ZINC000594714119 348105047 /nfs/dbraw/zinc/10/50/47/348105047.db2.gz XVHUVBYVFIAINX-SNVBAGLBSA-N 1 2 243.372 1.837 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)c(C)o1 ZINC000174525856 187390485 /nfs/dbraw/zinc/39/04/85/187390485.db2.gz LQEHZRGVGMFVIF-UHFFFAOYSA-N 1 2 245.278 1.443 20 30 BDEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)on1 ZINC000595426903 348246864 /nfs/dbraw/zinc/24/68/64/348246864.db2.gz LWJKNUJNLALBCJ-UHFFFAOYSA-N 1 2 235.287 1.809 20 30 BDEDLO COC[C@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000595464168 348257204 /nfs/dbraw/zinc/25/72/04/348257204.db2.gz DRMSUHPFDSDSOX-RYUDHWBXSA-N 1 2 240.347 1.662 20 30 BDEDLO COC[C@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000595464168 348257205 /nfs/dbraw/zinc/25/72/05/348257205.db2.gz DRMSUHPFDSDSOX-RYUDHWBXSA-N 1 2 240.347 1.662 20 30 BDEDLO Cc1cc(C#N)nc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000231898530 187391484 /nfs/dbraw/zinc/39/14/84/187391484.db2.gz YRJQKEVRMPVEMN-SNVBAGLBSA-N 1 2 242.286 1.354 20 30 BDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCCC#N ZINC000595518118 348260750 /nfs/dbraw/zinc/26/07/50/348260750.db2.gz PRZVXZGKZQDOFW-LLVKDONJSA-N 1 2 244.360 1.189 20 30 BDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CCCC#N ZINC000595518118 348260754 /nfs/dbraw/zinc/26/07/54/348260754.db2.gz PRZVXZGKZQDOFW-LLVKDONJSA-N 1 2 244.360 1.189 20 30 BDEDLO C[C@]1(C2CC2)C[N@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000595617200 348289724 /nfs/dbraw/zinc/28/97/24/348289724.db2.gz GKOAKEYBURBBMW-GXTWGEPZSA-N 1 2 247.342 1.931 20 30 BDEDLO C[C@]1(C2CC2)C[N@@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000595617200 348289727 /nfs/dbraw/zinc/28/97/27/348289727.db2.gz GKOAKEYBURBBMW-GXTWGEPZSA-N 1 2 247.342 1.931 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000595623601 348291976 /nfs/dbraw/zinc/29/19/76/348291976.db2.gz UWSUQWFRHSASBC-VIFPVBQESA-N 1 2 222.317 1.664 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000595623601 348291977 /nfs/dbraw/zinc/29/19/77/348291977.db2.gz UWSUQWFRHSASBC-VIFPVBQESA-N 1 2 222.317 1.664 20 30 BDEDLO C[C@@H](C#N)N(Cc1[nH+]ccn1C)C1CC1 ZINC000595709873 348321447 /nfs/dbraw/zinc/32/14/47/348321447.db2.gz JISSOFFKICLIQG-VIFPVBQESA-N 1 2 204.277 1.297 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@@H](O)C(C)(C)C)C1CC1 ZINC000595709026 348320203 /nfs/dbraw/zinc/32/02/03/348320203.db2.gz BMDILYLIWJFNGY-MWLCHTKSSA-N 1 2 210.321 1.770 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@@H](O)C(C)(C)C)C1CC1 ZINC000595709026 348320204 /nfs/dbraw/zinc/32/02/04/348320204.db2.gz BMDILYLIWJFNGY-MWLCHTKSSA-N 1 2 210.321 1.770 20 30 BDEDLO C[C@@H](C#N)[N@H+](C[C@H](O)C(C)(C)C)C1CC1 ZINC000595709027 348320398 /nfs/dbraw/zinc/32/03/98/348320398.db2.gz BMDILYLIWJFNGY-ONGXEEELSA-N 1 2 210.321 1.770 20 30 BDEDLO C[C@@H](C#N)[N@@H+](C[C@H](O)C(C)(C)C)C1CC1 ZINC000595709027 348320401 /nfs/dbraw/zinc/32/04/01/348320401.db2.gz BMDILYLIWJFNGY-ONGXEEELSA-N 1 2 210.321 1.770 20 30 BDEDLO CC[N@H+](Cc1ccn(C)c(=O)c1)[C@@H](C)C#N ZINC000595811826 348351095 /nfs/dbraw/zinc/35/10/95/348351095.db2.gz BZYBNRADSZPTKE-JTQLQIEISA-N 1 2 219.288 1.119 20 30 BDEDLO CC[N@@H+](Cc1ccn(C)c(=O)c1)[C@@H](C)C#N ZINC000595811826 348351098 /nfs/dbraw/zinc/35/10/98/348351098.db2.gz BZYBNRADSZPTKE-JTQLQIEISA-N 1 2 219.288 1.119 20 30 BDEDLO Cn1cc(C[N@H+](C)CCC(C)(C)C#N)nn1 ZINC000595757249 348330786 /nfs/dbraw/zinc/33/07/86/348330786.db2.gz AZJBBTZMYMEEME-UHFFFAOYSA-N 1 2 221.308 1.187 20 30 BDEDLO Cn1cc(C[N@@H+](C)CCC(C)(C)C#N)nn1 ZINC000595757249 348330787 /nfs/dbraw/zinc/33/07/87/348330787.db2.gz AZJBBTZMYMEEME-UHFFFAOYSA-N 1 2 221.308 1.187 20 30 BDEDLO CC[N@H+](CCC(=O)NC1CCCC1)[C@@H](C)C#N ZINC000595812560 348351813 /nfs/dbraw/zinc/35/18/13/348351813.db2.gz GZWYALKQMWYIOC-NSHDSACASA-N 1 2 237.347 1.669 20 30 BDEDLO CC[N@@H+](CCC(=O)NC1CCCC1)[C@@H](C)C#N ZINC000595812560 348351815 /nfs/dbraw/zinc/35/18/15/348351815.db2.gz GZWYALKQMWYIOC-NSHDSACASA-N 1 2 237.347 1.669 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)CC1=CCCOC1 ZINC000595748177 348340464 /nfs/dbraw/zinc/34/04/64/348340464.db2.gz XVRCSUZOLIDSMV-UHFFFAOYSA-N 1 2 243.310 1.732 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)CC1=CCCOC1 ZINC000595748177 348340467 /nfs/dbraw/zinc/34/04/67/348340467.db2.gz XVRCSUZOLIDSMV-UHFFFAOYSA-N 1 2 243.310 1.732 20 30 BDEDLO CCCNC(=O)CCC[N@H+](CC)[C@H](C)C#N ZINC000595817124 348344051 /nfs/dbraw/zinc/34/40/51/348344051.db2.gz GRQIGAHCMDMLJM-LLVKDONJSA-N 1 2 225.336 1.527 20 30 BDEDLO CCCNC(=O)CCC[N@@H+](CC)[C@H](C)C#N ZINC000595817124 348344053 /nfs/dbraw/zinc/34/40/53/348344053.db2.gz GRQIGAHCMDMLJM-LLVKDONJSA-N 1 2 225.336 1.527 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839134 348372677 /nfs/dbraw/zinc/37/26/77/348372677.db2.gz ZLDRBBUFWXCFDC-DGCLKSJQSA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839134 348372678 /nfs/dbraw/zinc/37/26/78/348372678.db2.gz ZLDRBBUFWXCFDC-DGCLKSJQSA-N 1 2 237.347 1.477 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839966 348373441 /nfs/dbraw/zinc/37/34/41/348373441.db2.gz NBAHGEILSFXYEH-CYBMUJFWSA-N 1 2 235.331 1.090 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839966 348373444 /nfs/dbraw/zinc/37/34/44/348373444.db2.gz NBAHGEILSFXYEH-CYBMUJFWSA-N 1 2 235.331 1.090 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCOCC(F)(F)F)C1 ZINC000595839819 348373844 /nfs/dbraw/zinc/37/38/44/348373844.db2.gz LWHZYMCJPQYCSV-VIFPVBQESA-N 1 2 236.237 1.801 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000595839819 348373846 /nfs/dbraw/zinc/37/38/46/348373846.db2.gz LWHZYMCJPQYCSV-VIFPVBQESA-N 1 2 236.237 1.801 20 30 BDEDLO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842086 348378038 /nfs/dbraw/zinc/37/80/38/348378038.db2.gz XYPIKBKDZFCWPH-ZDUSSCGKSA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)(C)OC(=O)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842086 348378041 /nfs/dbraw/zinc/37/80/41/348378041.db2.gz XYPIKBKDZFCWPH-ZDUSSCGKSA-N 1 2 238.331 1.954 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@H](C)CCC#N)s1 ZINC000595884522 348388664 /nfs/dbraw/zinc/38/86/64/348388664.db2.gz GTBGNYYIGGOXJP-MRVPVSSYSA-N 1 2 224.333 1.971 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@H](C)CCC#N)s1 ZINC000595884522 348388665 /nfs/dbraw/zinc/38/86/65/348388665.db2.gz GTBGNYYIGGOXJP-MRVPVSSYSA-N 1 2 224.333 1.971 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@@H](C)CCC#N)s1 ZINC000595884523 348388681 /nfs/dbraw/zinc/38/86/81/348388681.db2.gz GTBGNYYIGGOXJP-QMMMGPOBSA-N 1 2 224.333 1.971 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@@H](C)CCC#N)s1 ZINC000595884523 348388682 /nfs/dbraw/zinc/38/86/82/348388682.db2.gz GTBGNYYIGGOXJP-QMMMGPOBSA-N 1 2 224.333 1.971 20 30 BDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000129225666 187395327 /nfs/dbraw/zinc/39/53/27/187395327.db2.gz XCLSWROYHPFXJY-RISCZKNCSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(C#N)c1 ZINC000129225666 187395329 /nfs/dbraw/zinc/39/53/29/187395329.db2.gz XCLSWROYHPFXJY-RISCZKNCSA-N 1 2 246.310 1.140 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595874050 348387251 /nfs/dbraw/zinc/38/72/51/348387251.db2.gz SAGCTGLYNGZOEP-SNVBAGLBSA-N 1 2 247.254 1.103 20 30 BDEDLO CC[N@H+](CCC(=O)Nc1cccnc1)[C@H](C)C#N ZINC000595819657 348360397 /nfs/dbraw/zinc/36/03/97/348360397.db2.gz DLZPCZXJPNOVHT-LLVKDONJSA-N 1 2 246.314 1.644 20 30 BDEDLO CC[N@@H+](CCC(=O)Nc1cccnc1)[C@H](C)C#N ZINC000595819657 348360400 /nfs/dbraw/zinc/36/04/00/348360400.db2.gz DLZPCZXJPNOVHT-LLVKDONJSA-N 1 2 246.314 1.644 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000595886322 348389215 /nfs/dbraw/zinc/38/92/15/348389215.db2.gz UTFKVFZZBXMAKW-NXEZZACHSA-N 1 2 236.344 1.971 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000595886322 348389216 /nfs/dbraw/zinc/38/92/16/348389216.db2.gz UTFKVFZZBXMAKW-NXEZZACHSA-N 1 2 236.344 1.971 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N(C)C1CCCCC1 ZINC000267686646 187398172 /nfs/dbraw/zinc/39/81/72/187398172.db2.gz RMEMRPFCHIYIQI-UHFFFAOYSA-N 1 2 246.354 1.346 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396912682 349989778 /nfs/dbraw/zinc/98/97/78/349989778.db2.gz DVBHFKSEQDMFSI-GFCCVEGCSA-N 1 2 232.287 1.234 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396912682 349989781 /nfs/dbraw/zinc/98/97/81/349989781.db2.gz DVBHFKSEQDMFSI-GFCCVEGCSA-N 1 2 232.287 1.234 20 30 BDEDLO C=CCn1c(C)nnc1SCc1c[nH+]cn1C ZINC000267144762 187398408 /nfs/dbraw/zinc/39/84/08/187398408.db2.gz GECGDDDYCIZCLL-UHFFFAOYSA-N 1 2 249.343 1.798 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C(=O)OC ZINC000396919738 349996909 /nfs/dbraw/zinc/99/69/09/349996909.db2.gz XRWJGKWRJAWNKP-JGVFFNPUSA-N 1 2 239.237 1.892 20 30 BDEDLO C[C@H]1C[C@@H](Nc2cc(C#N)ncn2)c2[nH+]ccn21 ZINC000596257455 348476577 /nfs/dbraw/zinc/47/65/77/348476577.db2.gz OIGRLNUKKQMEJL-WCBMZHEXSA-N 1 2 240.270 1.663 20 30 BDEDLO COC1CC(CCNc2cc(C)[nH+]cc2C#N)C1 ZINC000596309561 348492694 /nfs/dbraw/zinc/49/26/94/348492694.db2.gz VOLMLDAMHUSURJ-UHFFFAOYSA-N 1 2 245.326 1.911 20 30 BDEDLO Cc1cc(CNc2c(C#N)cnn2C)cc(C)[nH+]1 ZINC000596279834 348495644 /nfs/dbraw/zinc/49/56/44/348495644.db2.gz RDSVNNDYQHUEOI-UHFFFAOYSA-N 1 2 241.298 1.916 20 30 BDEDLO Cc1cc(C#N)nc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000596543966 348584514 /nfs/dbraw/zinc/58/45/14/348584514.db2.gz VKIDANOPVHRJBB-VIFPVBQESA-N 1 2 242.286 1.563 20 30 BDEDLO CC#CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270720333 187399288 /nfs/dbraw/zinc/39/92/88/187399288.db2.gz OADBUQGCPSTMHE-UHFFFAOYSA-N 1 2 246.314 1.322 20 30 BDEDLO Cc1cc(N2CC[C@H]3COC[C@H]3C2)c(C#N)c[nH+]1 ZINC000596532543 348569636 /nfs/dbraw/zinc/56/96/36/348569636.db2.gz ZCFWLFJZXUHQQP-WCQYABFASA-N 1 2 243.310 1.734 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597041017 348648941 /nfs/dbraw/zinc/64/89/41/348648941.db2.gz DNOVSZURBKHRRB-MNOVXSKESA-N 1 2 246.314 1.254 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000597134942 348660535 /nfs/dbraw/zinc/66/05/35/348660535.db2.gz MGHLKHLGJKTUEN-NEPJUHHUSA-N 1 2 246.314 1.596 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596891094 348629607 /nfs/dbraw/zinc/62/96/07/348629607.db2.gz PYZIMNMERTYCJM-SNVBAGLBSA-N 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CC(C)c1nn(C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000331288065 353242403 /nfs/dbraw/zinc/24/24/03/353242403.db2.gz NCWTWINOIFHVCV-UHFFFAOYSA-N 1 2 247.302 1.771 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000160490447 353262586 /nfs/dbraw/zinc/26/25/86/353262586.db2.gz IVVFPHHVZUCJLI-UHFFFAOYSA-N 1 2 247.342 1.432 20 30 BDEDLO COC[C@H]([NH2+]CC1(C#N)CC1)c1ccco1 ZINC000336771543 353308988 /nfs/dbraw/zinc/30/89/88/353308988.db2.gz UPNZVKRPPYTECO-JTQLQIEISA-N 1 2 220.272 1.860 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)NCCCCCC ZINC000076186057 353331767 /nfs/dbraw/zinc/33/17/67/353331767.db2.gz ITIVNUBOEYTMCQ-UHFFFAOYSA-N 1 2 234.343 1.251 20 30 BDEDLO C=C(C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000162432748 353322589 /nfs/dbraw/zinc/32/25/89/353322589.db2.gz QOLZHHWMWRQSHX-UHFFFAOYSA-N 1 2 222.292 1.149 20 30 BDEDLO COc1ncccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000054825482 353346862 /nfs/dbraw/zinc/34/68/62/353346862.db2.gz GGWQPUOQYLCAOO-JQWIXIFHSA-N 1 2 231.299 1.872 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1nnc2n1CCOC2 ZINC000281301507 353442042 /nfs/dbraw/zinc/44/20/42/353442042.db2.gz NQWULIRBVJEPRW-UHFFFAOYSA-N 1 2 236.319 1.206 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nnc2n1CCOC2 ZINC000281301507 353442043 /nfs/dbraw/zinc/44/20/43/353442043.db2.gz NQWULIRBVJEPRW-UHFFFAOYSA-N 1 2 236.319 1.206 20 30 BDEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1=O ZINC000281817490 353453620 /nfs/dbraw/zinc/45/36/20/353453620.db2.gz JXFABKKZWMMXDQ-LLVKDONJSA-N 1 2 246.314 1.008 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000281353281 353435515 /nfs/dbraw/zinc/43/55/15/353435515.db2.gz KKJMLIRVRXUYOJ-CMPLNLGQSA-N 1 2 249.314 1.429 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccccc1C(=O)OC ZINC000093461322 353486703 /nfs/dbraw/zinc/48/67/03/353486703.db2.gz DEICNNAGRPYJAP-UHFFFAOYSA-N 1 2 241.290 1.542 20 30 BDEDLO CC#CCNc1ccccc1C[NH+]1CCOCC1 ZINC000182303439 353474052 /nfs/dbraw/zinc/47/40/52/353474052.db2.gz WDAVIIZLNOPPKN-UHFFFAOYSA-N 1 2 244.338 1.954 20 30 BDEDLO C=CCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134743183 353506020 /nfs/dbraw/zinc/50/60/20/353506020.db2.gz YMBRUCCOHGONIG-UHFFFAOYSA-N 1 2 222.292 1.101 20 30 BDEDLO C=CCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285435121 353542389 /nfs/dbraw/zinc/54/23/89/353542389.db2.gz YSRRETIHFVPBAE-LBPRGKRZSA-N 1 2 243.314 1.845 20 30 BDEDLO CC#CC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000283729458 353502867 /nfs/dbraw/zinc/50/28/67/353502867.db2.gz FICDQWUSPKUXDE-GFCCVEGCSA-N 1 2 245.326 1.980 20 30 BDEDLO C=CC[C@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287588971 353580265 /nfs/dbraw/zinc/58/02/65/353580265.db2.gz RIVROWQQWHILSY-LLVKDONJSA-N 1 2 249.314 1.757 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cnccc1OC ZINC000287679690 353583932 /nfs/dbraw/zinc/58/39/32/353583932.db2.gz IBVDRYHVMCNWPM-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO C#CC[N@H+](CC)Cc1cnccc1OC ZINC000287679690 353583937 /nfs/dbraw/zinc/58/39/37/353583937.db2.gz IBVDRYHVMCNWPM-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO C=C[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000290285690 353653401 /nfs/dbraw/zinc/65/34/01/353653401.db2.gz IKVVVTMMDPQFHP-SECBINFHSA-N 1 2 221.260 1.058 20 30 BDEDLO C#Cc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000289890753 353641386 /nfs/dbraw/zinc/64/13/86/353641386.db2.gz XBCQZRLJAQSDBO-NSHDSACASA-N 1 2 240.310 1.647 20 30 BDEDLO C=CC[C@@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000292853566 353727139 /nfs/dbraw/zinc/72/71/39/353727139.db2.gz ZMDFYVXPAZFNJO-SNVBAGLBSA-N 1 2 249.314 1.854 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1nccn1C ZINC000293706801 353754902 /nfs/dbraw/zinc/75/49/02/353754902.db2.gz DKLUQSIIQIFXLO-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1nccn1C ZINC000293706801 353754904 /nfs/dbraw/zinc/75/49/04/353754904.db2.gz DKLUQSIIQIFXLO-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(F)ncc1F ZINC000294631110 353786498 /nfs/dbraw/zinc/78/64/98/353786498.db2.gz AKGGPIWZEIWNCR-UHFFFAOYSA-N 1 2 210.227 1.815 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(F)ncc1F ZINC000294631110 353786501 /nfs/dbraw/zinc/78/65/01/353786501.db2.gz 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358233303 /nfs/dbraw/zinc/23/33/03/358233303.db2.gz HDRATAJOZZYMNZ-NSHDSACASA-N 1 2 231.299 1.825 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000610992986 358424999 /nfs/dbraw/zinc/42/49/99/358424999.db2.gz XWRWYYVDLZWUHT-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000610992986 358425003 /nfs/dbraw/zinc/42/50/03/358425003.db2.gz XWRWYYVDLZWUHT-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)o2)ncn1 ZINC000611134762 358856285 /nfs/dbraw/zinc/85/62/85/358856285.db2.gz MIMBBYVISRCULF-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO N#CCC[N@@H+](Cc1cn[nH]c1)CC1CC1 ZINC000611268698 359284791 /nfs/dbraw/zinc/28/47/91/359284791.db2.gz DFYMUMJIJKYILO-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO N#CCC[N@H+](Cc1cn[nH]c1)CC1CC1 ZINC000611268698 359284793 /nfs/dbraw/zinc/28/47/93/359284793.db2.gz DFYMUMJIJKYILO-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO C[C@H](C#N)C[N@H+](Cc1cn[nH]c1)C1CC1 ZINC000611276024 359288435 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SSHXLFXDCOXCFW-SNVBAGLBSA-N 1 2 220.272 1.276 20 30 BDEDLO CC1(C)CNC(=O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000282656894 371490574 /nfs/dbraw/zinc/49/05/74/371490574.db2.gz IGZXNMDJACNPBD-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO CC1(C)CNC(=O)C[N@H+]1Cc1cccc(C#N)c1 ZINC000282656894 371490581 /nfs/dbraw/zinc/49/05/81/371490581.db2.gz IGZXNMDJACNPBD-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370409 371587461 /nfs/dbraw/zinc/58/74/61/371587461.db2.gz YKBGBFXOCXZYSU-SNVBAGLBSA-N 1 2 233.315 1.897 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370409 371587463 /nfs/dbraw/zinc/58/74/63/371587463.db2.gz YKBGBFXOCXZYSU-SNVBAGLBSA-N 1 2 233.315 1.897 20 30 BDEDLO CC#CCN(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627553043 371702007 /nfs/dbraw/zinc/70/20/07/371702007.db2.gz JWCYTERSTIXHGB-GFCCVEGCSA-N 1 2 245.326 1.236 20 30 BDEDLO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000228283657 372012724 /nfs/dbraw/zinc/01/27/24/372012724.db2.gz VKADWHURDGHXMN-VXGBXAGGSA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000228283657 372012729 /nfs/dbraw/zinc/01/27/29/372012729.db2.gz VKADWHURDGHXMN-VXGBXAGGSA-N 1 2 237.347 1.383 20 30 BDEDLO C=CC[C@H](CO)CNc1cc(CCCC)[nH+]cn1 ZINC000631191742 372226725 /nfs/dbraw/zinc/22/67/25/372226725.db2.gz HKUMQPPZGRXXFZ-LBPRGKRZSA-N 1 2 249.358 1.838 20 30 BDEDLO C=C1CC(C)(C(=O)N2CCn3cc(C)[nH+]c3C2)C1 ZINC000632382818 372912196 /nfs/dbraw/zinc/91/21/96/372912196.db2.gz JCXLZKXTGAQPKH-UHFFFAOYSA-N 1 2 245.326 1.890 20 30 BDEDLO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442872133 206084045 /nfs/dbraw/zinc/08/40/45/206084045.db2.gz JFUVPRKVCXJEFC-DCAQKATOSA-N 1 2 238.331 1.998 20 30 BDEDLO C[C@@H](CCC#N)[NH2+][C@@H](C)c1csnn1 ZINC000522006723 259582608 /nfs/dbraw/zinc/58/26/08/259582608.db2.gz UPEOJYXAPGLEKN-YUMQZZPRSA-N 1 2 210.306 1.881 20 30 BDEDLO COC(=O)[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000096781086 383925554 /nfs/dbraw/zinc/92/55/54/383925554.db2.gz CHIKKFJAINYTDG-ZDUSSCGKSA-N 1 2 246.310 1.845 20 30 BDEDLO Cc1nsc(N2CC[NH+](C3CC3)CC2)c1C#N ZINC000283919166 383932328 /nfs/dbraw/zinc/93/23/28/383932328.db2.gz WZMZXIXJEQFHHK-UHFFFAOYSA-N 1 2 248.355 1.608 20 30 BDEDLO Cc1nn(Cc2c[nH+]ccc2C)cc1C#N ZINC000334950361 383988016 /nfs/dbraw/zinc/98/80/16/383988016.db2.gz JVJABIWJDLCMKA-UHFFFAOYSA-N 1 2 212.256 1.815 20 30 BDEDLO CC(C)SCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569367482 383952960 /nfs/dbraw/zinc/95/29/60/383952960.db2.gz DBGMDUZIDKYJMB-NSHDSACASA-N 1 2 243.376 1.088 20 30 BDEDLO Cc1n[nH]cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000309613202 384083353 /nfs/dbraw/zinc/08/33/53/384083353.db2.gz ASTHWGDCSCUMMV-UHFFFAOYSA-N 1 2 233.300 1.336 20 30 BDEDLO C#CCCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000268193946 533029245 /nfs/dbraw/zinc/02/92/45/533029245.db2.gz XBGFNUYQTNSWKY-OQLLNIDSSA-N 1 2 246.310 1.810 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cccc(OC)n1 ZINC000070093660 384079571 /nfs/dbraw/zinc/07/95/71/384079571.db2.gz AMOHJWQUTSRDQZ-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cccc(OC)n1 ZINC000070093660 384079577 /nfs/dbraw/zinc/07/95/77/384079577.db2.gz AMOHJWQUTSRDQZ-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000186947570 384095724 /nfs/dbraw/zinc/09/57/24/384095724.db2.gz AWRGQODIFYPYBV-NSHDSACASA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000186947570 384095729 /nfs/dbraw/zinc/09/57/29/384095729.db2.gz AWRGQODIFYPYBV-NSHDSACASA-N 1 2 243.310 1.221 20 30 BDEDLO N#CCCCCNC(=O)CCn1cc[nH+]c1 ZINC000309318444 134390640 /nfs/dbraw/zinc/39/06/40/134390640.db2.gz GMHFZBBZUAJGEP-UHFFFAOYSA-N 1 2 220.276 1.083 20 30 BDEDLO C[C@@H](CC(=O)N[C@@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000569488994 384109842 /nfs/dbraw/zinc/10/98/42/384109842.db2.gz DZHNXDYNBKMWCV-ONGXEEELSA-N 1 2 232.287 1.253 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000299386556 384206207 /nfs/dbraw/zinc/20/62/07/384206207.db2.gz SYRBUVDZVYYURC-LBPRGKRZSA-N 1 2 234.343 1.248 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)CC#N)n1 ZINC000093090541 384211016 /nfs/dbraw/zinc/21/10/16/384211016.db2.gz HPPKTXCSQWADEF-SNVBAGLBSA-N 1 2 219.288 1.830 20 30 BDEDLO Cc1ccc(O)c(C[N@H+](C)[C@H](C)CC#N)n1 ZINC000093090541 384211022 /nfs/dbraw/zinc/21/10/22/384211022.db2.gz HPPKTXCSQWADEF-SNVBAGLBSA-N 1 2 219.288 1.830 20 30 BDEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cn[nH]c1 ZINC000336777087 384277190 /nfs/dbraw/zinc/27/71/90/384277190.db2.gz HNMQHTYJZPGGQB-ZETCQYMHSA-N 1 2 233.300 1.589 20 30 BDEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cn[nH]c1 ZINC000336777086 384277578 /nfs/dbraw/zinc/27/75/78/384277578.db2.gz HNMQHTYJZPGGQB-SSDOTTSWSA-N 1 2 233.300 1.589 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cn(C)nc1C(C)(C)C ZINC000180294933 384453600 /nfs/dbraw/zinc/45/36/00/384453600.db2.gz PXNPFTHGZGEODW-UHFFFAOYSA-N 1 2 243.354 1.786 20 30 BDEDLO CN(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000070159889 384441915 /nfs/dbraw/zinc/44/19/15/384441915.db2.gz YJVKQOJKTCEGGX-UHFFFAOYSA-N 1 2 217.316 1.552 20 30 BDEDLO CN(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000070159889 384441919 /nfs/dbraw/zinc/44/19/19/384441919.db2.gz YJVKQOJKTCEGGX-UHFFFAOYSA-N 1 2 217.316 1.552 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(N(C)C)nc1 ZINC000490915747 384485158 /nfs/dbraw/zinc/48/51/58/384485158.db2.gz OTPCKACFXGGPSZ-UHFFFAOYSA-N 1 2 242.326 1.001 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(N(C)C)nc1 ZINC000490915747 384485166 /nfs/dbraw/zinc/48/51/66/384485166.db2.gz OTPCKACFXGGPSZ-UHFFFAOYSA-N 1 2 242.326 1.001 20 30 BDEDLO C#CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000264910700 533068947 /nfs/dbraw/zinc/06/89/47/533068947.db2.gz FFCWTIDROYUMRM-UHFFFAOYSA-N 1 2 230.315 1.902 20 30 BDEDLO C#CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000264910700 533068952 /nfs/dbraw/zinc/06/89/52/533068952.db2.gz FFCWTIDROYUMRM-UHFFFAOYSA-N 1 2 230.315 1.902 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000049000831 384516228 /nfs/dbraw/zinc/51/62/28/384516228.db2.gz KGKARVJVFNEGNN-JTQLQIEISA-N 1 2 231.299 1.377 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000049000831 384516231 /nfs/dbraw/zinc/51/62/31/384516231.db2.gz KGKARVJVFNEGNN-JTQLQIEISA-N 1 2 231.299 1.377 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533547735 384541540 /nfs/dbraw/zinc/54/15/40/384541540.db2.gz KRCNNGMEHFSXHT-MNOVXSKESA-N 1 2 246.314 1.254 20 30 BDEDLO CC1(C)C[NH+](CC(=O)N(CCC#N)CC2CC2)C1 ZINC000561270599 384610447 /nfs/dbraw/zinc/61/04/47/384610447.db2.gz UFWYNNBDTQVPFN-UHFFFAOYSA-N 1 2 249.358 1.480 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000491783932 384684175 /nfs/dbraw/zinc/68/41/75/384684175.db2.gz PUWQSVABLBYKLR-NEPJUHHUSA-N 1 2 223.316 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000491783932 384684180 /nfs/dbraw/zinc/68/41/80/384684180.db2.gz PUWQSVABLBYKLR-NEPJUHHUSA-N 1 2 223.316 1.278 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H](C)COC)C(=O)OCC ZINC000449658678 384833122 /nfs/dbraw/zinc/83/31/22/384833122.db2.gz UCIGLKHHIURHOO-MNOVXSKESA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000024866381 384833697 /nfs/dbraw/zinc/83/36/97/384833697.db2.gz PDONDANVRDPSDN-UHFFFAOYSA-N 1 2 246.310 1.336 20 30 BDEDLO COc1ccnc(C[NH+]2CCC(C#N)CC2)c1 ZINC000106860225 384938505 /nfs/dbraw/zinc/93/85/05/384938505.db2.gz GAJFOBVDHYPIPC-UHFFFAOYSA-N 1 2 231.299 1.826 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2cc[nH]n2)s1 ZINC000135499763 384983557 /nfs/dbraw/zinc/98/35/57/384983557.db2.gz XDHCEGLGOGEICH-UHFFFAOYSA-N 1 2 218.285 1.633 20 30 BDEDLO Cc1cc(C)n(CC[N@@H+](C)C[C@H](C)C#N)n1 ZINC000068813937 385221181 /nfs/dbraw/zinc/22/11/81/385221181.db2.gz HYEJPYVVVSXOCF-SNVBAGLBSA-N 1 2 220.320 1.591 20 30 BDEDLO Cc1cc(C)n(CC[N@H+](C)C[C@H](C)C#N)n1 ZINC000068813937 385221183 /nfs/dbraw/zinc/22/11/83/385221183.db2.gz HYEJPYVVVSXOCF-SNVBAGLBSA-N 1 2 220.320 1.591 20 30 BDEDLO NC(=[NH+]OCCCO)c1cccc(Cl)c1 ZINC000154738338 385351769 /nfs/dbraw/zinc/35/17/69/385351769.db2.gz IEDHVJGINZMRMM-UHFFFAOYSA-N 1 2 228.679 1.359 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](C)[C@@H](C)C1=O ZINC000491340312 385369692 /nfs/dbraw/zinc/36/96/92/385369692.db2.gz WZEPTNSPOOCETE-GARJFASQSA-N 1 2 208.305 1.012 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](C)[C@@H](C)C1=O ZINC000491340312 385369694 /nfs/dbraw/zinc/36/96/94/385369694.db2.gz WZEPTNSPOOCETE-GARJFASQSA-N 1 2 208.305 1.012 20 30 BDEDLO COC[C@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444718564 385458248 /nfs/dbraw/zinc/45/82/48/385458248.db2.gz LBYHCPSKUKPMJA-GHMZBOCLSA-N 1 2 226.320 1.008 20 30 BDEDLO COC[C@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444718564 385458251 /nfs/dbraw/zinc/45/82/51/385458251.db2.gz LBYHCPSKUKPMJA-GHMZBOCLSA-N 1 2 226.320 1.008 20 30 BDEDLO C[C@H](CC#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171922875 385532854 /nfs/dbraw/zinc/53/28/54/385532854.db2.gz YUSQZIRXOVSCTN-SECBINFHSA-N 1 2 228.255 1.366 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171927816 385533932 /nfs/dbraw/zinc/53/39/32/385533932.db2.gz BJCLXKHQHASSBZ-SNVBAGLBSA-N 1 2 242.282 1.708 20 30 BDEDLO C[C@]1(C2CC2)C[N@H+](CC2(C#N)CC2)CCO1 ZINC000595625107 385635575 /nfs/dbraw/zinc/63/55/75/385635575.db2.gz LEXVHDLJWFAGBM-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO C[C@]1(C2CC2)C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000595625107 385635579 /nfs/dbraw/zinc/63/55/79/385635579.db2.gz LEXVHDLJWFAGBM-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO CC[C@H](Nc1nc(C)cc(C#N)n1)c1[nH]cc[nH+]1 ZINC000231940393 385906424 /nfs/dbraw/zinc/90/64/24/385906424.db2.gz CJGODCYDSLRRME-JTQLQIEISA-N 1 2 242.286 1.943 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425396661 385945035 /nfs/dbraw/zinc/94/50/35/385945035.db2.gz PTJQELXRFVYXSR-WDEREUQCSA-N 1 2 237.347 1.477 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425396661 385945041 /nfs/dbraw/zinc/94/50/41/385945041.db2.gz PTJQELXRFVYXSR-WDEREUQCSA-N 1 2 237.347 1.477 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000345805757 386112865 /nfs/dbraw/zinc/11/28/65/386112865.db2.gz MBTYOWMSFTXPOJ-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000345805757 386112867 /nfs/dbraw/zinc/11/28/67/386112867.db2.gz MBTYOWMSFTXPOJ-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000045910922 533158136 /nfs/dbraw/zinc/15/81/36/533158136.db2.gz FVHPQPBVEWOHSA-UHFFFAOYSA-N 1 2 245.282 1.350 20 30 BDEDLO Cc1cc(N2CC[C@@H](O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000398977250 386280651 /nfs/dbraw/zinc/28/06/51/386280651.db2.gz ZJKUDNSQNKHRSC-TVQRCGJNSA-N 1 2 231.299 1.469 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000343205520 386283289 /nfs/dbraw/zinc/28/32/89/386283289.db2.gz RBVUGKYNVBXNOG-JTQLQIEISA-N 1 2 247.342 1.986 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000343205520 386283292 /nfs/dbraw/zinc/28/32/92/386283292.db2.gz RBVUGKYNVBXNOG-JTQLQIEISA-N 1 2 247.342 1.986 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nncn1C ZINC000347255900 386308184 /nfs/dbraw/zinc/30/81/84/386308184.db2.gz VPNFOLXLDIATRH-SNVBAGLBSA-N 1 2 224.308 1.011 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](C)c1nncn1C ZINC000347255900 386308189 /nfs/dbraw/zinc/30/81/89/386308189.db2.gz VPNFOLXLDIATRH-SNVBAGLBSA-N 1 2 224.308 1.011 20 30 BDEDLO Cc1cc(N(C)CCCCO)c(C#N)c[nH+]1 ZINC000398985741 386321426 /nfs/dbraw/zinc/32/14/26/386321426.db2.gz HYBHIZCQCJVWPN-UHFFFAOYSA-N 1 2 219.288 1.470 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@H](C)C(C)C)C(=O)OC ZINC000336775186 386384319 /nfs/dbraw/zinc/38/43/19/386384319.db2.gz YHAMYWFASPYHDH-GHMZBOCLSA-N 1 2 229.320 1.365 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C(C)C)C(=O)OC ZINC000336775188 386384782 /nfs/dbraw/zinc/38/47/82/386384782.db2.gz YHAMYWFASPYHDH-QWRGUYRKSA-N 1 2 229.320 1.365 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000192221816 386487299 /nfs/dbraw/zinc/48/72/99/386487299.db2.gz SBDKQRWSZHETEY-UHFFFAOYSA-N 1 2 217.228 1.395 20 30 BDEDLO C#CC[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000192221816 386487305 /nfs/dbraw/zinc/48/73/05/386487305.db2.gz SBDKQRWSZHETEY-UHFFFAOYSA-N 1 2 217.228 1.395 20 30 BDEDLO CCC[C@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000399004801 386504719 /nfs/dbraw/zinc/50/47/19/386504719.db2.gz WTGNVZXLCPYZEO-ZDUSSCGKSA-N 1 2 233.315 1.647 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCOC1 ZINC000328803175 386629170 /nfs/dbraw/zinc/62/91/70/386629170.db2.gz CKJPEEGZZBSZJW-JTQLQIEISA-N 1 2 237.303 1.488 20 30 BDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@@H]1CCCO1 ZINC000328937045 386648731 /nfs/dbraw/zinc/64/87/31/386648731.db2.gz GCKSZYUCEIMHAO-MNOVXSKESA-N 1 2 249.314 1.896 20 30 BDEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)O1 ZINC000328945931 386649467 /nfs/dbraw/zinc/64/94/67/386649467.db2.gz MDSVJFCNGFLVBP-VDDIYKPWSA-N 1 2 249.314 1.791 20 30 BDEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)O1 ZINC000328945931 386649472 /nfs/dbraw/zinc/64/94/72/386649472.db2.gz MDSVJFCNGFLVBP-VDDIYKPWSA-N 1 2 249.314 1.791 20 30 BDEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000645088079 386711119 /nfs/dbraw/zinc/71/11/19/386711119.db2.gz CSVIWDJPDFQLPD-LBPRGKRZSA-N 1 2 237.299 1.856 20 30 BDEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000645088079 386711126 /nfs/dbraw/zinc/71/11/26/386711126.db2.gz CSVIWDJPDFQLPD-LBPRGKRZSA-N 1 2 237.299 1.856 20 30 BDEDLO CC[N@@H+](Cc1cnc(OC)nc1C)C[C@@H](C)C#N ZINC000330408967 386706541 /nfs/dbraw/zinc/70/65/41/386706541.db2.gz XYZIAIRRGIKSMI-JTQLQIEISA-N 1 2 248.330 1.775 20 30 BDEDLO CC[N@H+](Cc1cnc(OC)nc1C)C[C@@H](C)C#N ZINC000330408967 386706546 /nfs/dbraw/zinc/70/65/46/386706546.db2.gz XYZIAIRRGIKSMI-JTQLQIEISA-N 1 2 248.330 1.775 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@H](C)C[C@@H]2CCCO2)c[nH+]1 ZINC000330456793 386719461 /nfs/dbraw/zinc/71/94/61/386719461.db2.gz OBOVLTJZCGHFSL-SCZZXKLOSA-N 1 2 237.303 1.980 20 30 BDEDLO CC[C@@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330473240 386728616 /nfs/dbraw/zinc/72/86/16/386728616.db2.gz GCMRNJLAJPLOPC-QMMMGPOBSA-N 1 2 211.265 1.184 20 30 BDEDLO C[C@@H](CNc1ccc(C#N)nc1)[NH+]1CCOCC1 ZINC000267394346 386792226 /nfs/dbraw/zinc/79/22/26/386792226.db2.gz OAQAFBDDBCDCEH-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO CC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000330544288 386784934 /nfs/dbraw/zinc/78/49/34/386784934.db2.gz XZBNDVLVHVCOQJ-QMMMGPOBSA-N 1 2 210.281 1.222 20 30 BDEDLO C=CCC[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000316177178 386841245 /nfs/dbraw/zinc/84/12/45/386841245.db2.gz MQYPBUIOUIOPDZ-SSDOTTSWSA-N 1 2 242.710 1.451 20 30 BDEDLO C=CCC[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000316177178 386841248 /nfs/dbraw/zinc/84/12/48/386841248.db2.gz MQYPBUIOUIOPDZ-SSDOTTSWSA-N 1 2 242.710 1.451 20 30 BDEDLO COC(=O)C[N@H+](CC#Cc1ccccc1)C(C)C ZINC000051814877 386869747 /nfs/dbraw/zinc/86/97/47/386869747.db2.gz XHWCPNJXHGQCDT-UHFFFAOYSA-N 1 2 245.322 1.922 20 30 BDEDLO COC(=O)C[N@@H+](CC#Cc1ccccc1)C(C)C ZINC000051814877 386869750 /nfs/dbraw/zinc/86/97/50/386869750.db2.gz XHWCPNJXHGQCDT-UHFFFAOYSA-N 1 2 245.322 1.922 20 30 BDEDLO CC[C@@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399619595 387050612 /nfs/dbraw/zinc/05/06/12/387050612.db2.gz YNPHFHNWBFFWEN-NSHDSACASA-N 1 2 219.288 1.521 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)co1 ZINC000228171472 387079608 /nfs/dbraw/zinc/07/96/08/387079608.db2.gz ATTJPROTLGOVPW-JTQLQIEISA-N 1 2 236.271 1.848 20 30 BDEDLO Cc1cc(NCc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000399668989 387093036 /nfs/dbraw/zinc/09/30/36/387093036.db2.gz RQJOOJRUJKMXAN-UHFFFAOYSA-N 1 2 227.271 1.029 20 30 BDEDLO CO[C@@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000399706504 387119569 /nfs/dbraw/zinc/11/95/69/387119569.db2.gz DRAKCKYQPQBPRY-VIFPVBQESA-N 1 2 205.261 1.130 20 30 BDEDLO N#CCCC[NH+]1CCN(CC(F)F)CC1 ZINC000057915801 387150392 /nfs/dbraw/zinc/15/03/92/387150392.db2.gz VOIGMUZOIRWLMR-UHFFFAOYSA-N 1 2 217.263 1.173 20 30 BDEDLO Cc1cc(NCCc2cn(C)c[nH+]2)c(C#N)cn1 ZINC000399474576 387140872 /nfs/dbraw/zinc/14/08/72/387140872.db2.gz WSSFZCSCFITPTR-UHFFFAOYSA-N 1 2 241.298 1.072 20 30 BDEDLO CC(C)CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572069037 387227678 /nfs/dbraw/zinc/22/76/78/387227678.db2.gz LTBGTSKBBHWXRU-LBPRGKRZSA-N 1 2 225.336 1.383 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000424668023 387241111 /nfs/dbraw/zinc/24/11/11/387241111.db2.gz VVLIHLRWUQFYKJ-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514717356 387278393 /nfs/dbraw/zinc/27/83/93/387278393.db2.gz MEZKHBSPYXIEKN-NOZJJQNGSA-N 1 2 240.266 1.823 20 30 BDEDLO C[C@@H](CC(=O)NC(C)(C)C#N)n1cc[nH+]c1 ZINC000572246592 387279132 /nfs/dbraw/zinc/27/91/32/387279132.db2.gz HOOHJUJKFGXHOP-VIFPVBQESA-N 1 2 220.276 1.253 20 30 BDEDLO C#CC[N@@H+](CC(=O)OCC)C1CCCC1 ZINC000083244227 387402395 /nfs/dbraw/zinc/40/23/95/387402395.db2.gz UWBYUFSASYTFJY-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO C#CC[N@H+](CC(=O)OCC)C1CCCC1 ZINC000083244227 387402400 /nfs/dbraw/zinc/40/24/00/387402400.db2.gz UWBYUFSASYTFJY-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO Cn1ncc2c1CCC[C@H]2[NH2+]CCC#N ZINC000037051867 387420654 /nfs/dbraw/zinc/42/06/54/387420654.db2.gz QAMXQFOTTKOPIK-SNVBAGLBSA-N 1 2 204.277 1.301 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cncc(F)c1 ZINC000275135312 387501278 /nfs/dbraw/zinc/50/12/78/387501278.db2.gz NAPUQPKGNAZMFN-UHFFFAOYSA-N 1 2 202.232 1.289 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000276918494 387526140 /nfs/dbraw/zinc/52/61/40/387526140.db2.gz GWOLFGLBVRTZJB-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000276918494 387526144 /nfs/dbraw/zinc/52/61/44/387526144.db2.gz GWOLFGLBVRTZJB-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO CC#CCN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422204686 387585681 /nfs/dbraw/zinc/58/56/81/387585681.db2.gz JHMZOSZISTWCOR-UHFFFAOYSA-N 1 2 245.326 1.863 20 30 BDEDLO Cc1cc(NCCC2CCOCC2)c(C#N)c[nH+]1 ZINC000399484886 387709290 /nfs/dbraw/zinc/70/92/90/387709290.db2.gz FFAMQHAKHPMMQR-UHFFFAOYSA-N 1 2 245.326 1.912 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000045910700 388002615 /nfs/dbraw/zinc/00/26/15/388002615.db2.gz MCYNTOBYYBFNRF-UHFFFAOYSA-N 1 2 216.284 1.499 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000045910700 388002620 /nfs/dbraw/zinc/00/26/20/388002620.db2.gz MCYNTOBYYBFNRF-UHFFFAOYSA-N 1 2 216.284 1.499 20 30 BDEDLO C=CCOCC(=O)Nc1ccc(C)[nH+]c1C ZINC000446433396 388020837 /nfs/dbraw/zinc/02/08/37/388020837.db2.gz AQIUPQFZRFWHCS-UHFFFAOYSA-N 1 2 220.272 1.840 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454674489 388129395 /nfs/dbraw/zinc/12/93/95/388129395.db2.gz ODEBXBKHFCPTSP-GUBZILKMSA-N 1 2 234.303 1.763 20 30 BDEDLO C=C(C)CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454836406 388135924 /nfs/dbraw/zinc/13/59/24/388135924.db2.gz LZCKUCGDTHZUSE-JTQLQIEISA-N 1 2 236.319 1.839 20 30 BDEDLO C=C(CC)CNC(=O)NCc1[nH+]ccn1CC ZINC000455302908 388155186 /nfs/dbraw/zinc/15/51/86/388155186.db2.gz XHPPEBJONUMRCT-UHFFFAOYSA-N 1 2 236.319 1.668 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000489502620 388219971 /nfs/dbraw/zinc/21/99/71/388219971.db2.gz WUBOGURULBNGOO-SNVBAGLBSA-N 1 2 233.319 1.549 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnnn1C1CC1 ZINC000489502620 388219972 /nfs/dbraw/zinc/21/99/72/388219972.db2.gz WUBOGURULBNGOO-SNVBAGLBSA-N 1 2 233.319 1.549 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C(C)C)no1 ZINC000451602982 388283230 /nfs/dbraw/zinc/28/32/30/388283230.db2.gz XYKCTBNWNIKHCE-ZJUUUORDSA-N 1 2 237.303 1.626 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000491297115 388283659 /nfs/dbraw/zinc/28/36/59/388283659.db2.gz OTQJWTOUGIICCS-KBPBESRZSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000491297115 388283660 /nfs/dbraw/zinc/28/36/60/388283660.db2.gz OTQJWTOUGIICCS-KBPBESRZSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000491298960 388283844 /nfs/dbraw/zinc/28/38/44/388283844.db2.gz XPFKACPFHHWTAW-GFCCVEGCSA-N 1 2 230.311 1.603 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000491298960 388283846 /nfs/dbraw/zinc/28/38/46/388283846.db2.gz XPFKACPFHHWTAW-GFCCVEGCSA-N 1 2 230.311 1.603 20 30 BDEDLO C#CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491315643 388285025 /nfs/dbraw/zinc/28/50/25/388285025.db2.gz OWKCDXAUZFYNGC-LLVKDONJSA-N 1 2 246.314 1.146 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000491441522 388294750 /nfs/dbraw/zinc/29/47/50/388294750.db2.gz WKOBCFUOZNKQAZ-ZDUSSCGKSA-N 1 2 201.269 1.521 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC000491441522 388294751 /nfs/dbraw/zinc/29/47/51/388294751.db2.gz WKOBCFUOZNKQAZ-ZDUSSCGKSA-N 1 2 201.269 1.521 20 30 BDEDLO C#CCN(CC#N)Cc1[nH+]ccc(OC)c1OC ZINC000491452840 388295793 /nfs/dbraw/zinc/29/57/93/388295793.db2.gz NPYHDGRAXJEPES-UHFFFAOYSA-N 1 2 245.282 1.058 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(COC)n1 ZINC000491526512 388299361 /nfs/dbraw/zinc/29/93/61/388299361.db2.gz ZVTNWOOFAUKOMY-VIFPVBQESA-N 1 2 224.329 1.743 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1csc(COC)n1 ZINC000491526512 388299363 /nfs/dbraw/zinc/29/93/63/388299363.db2.gz ZVTNWOOFAUKOMY-VIFPVBQESA-N 1 2 224.329 1.743 20 30 BDEDLO C#C[C@@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000491543274 388302735 /nfs/dbraw/zinc/30/27/35/388302735.db2.gz FRCNTNYBBWVAGN-SECBINFHSA-N 1 2 226.283 1.500 20 30 BDEDLO C#C[C@H](CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491628141 388306198 /nfs/dbraw/zinc/30/61/98/388306198.db2.gz LGTQALUYHZZHCB-GHMZBOCLSA-N 1 2 219.288 1.362 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000491635233 388307122 /nfs/dbraw/zinc/30/71/22/388307122.db2.gz VYIZVVOFFLTUJI-WDEREUQCSA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000491635233 388307123 /nfs/dbraw/zinc/30/71/23/388307123.db2.gz VYIZVVOFFLTUJI-WDEREUQCSA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC2(CCCC2)CC1=O ZINC000491663723 388309325 /nfs/dbraw/zinc/30/93/25/388309325.db2.gz SLYKGJKFDRIPAV-LBPRGKRZSA-N 1 2 234.343 1.690 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC2(CCCC2)CC1=O ZINC000491663723 388309326 /nfs/dbraw/zinc/30/93/26/388309326.db2.gz SLYKGJKFDRIPAV-LBPRGKRZSA-N 1 2 234.343 1.690 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000491693017 388311604 /nfs/dbraw/zinc/31/16/04/388311604.db2.gz CHTVUJDBHXYRJF-MFKMUULPSA-N 1 2 236.315 1.073 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000491693017 388311605 /nfs/dbraw/zinc/31/16/05/388311605.db2.gz CHTVUJDBHXYRJF-MFKMUULPSA-N 1 2 236.315 1.073 20 30 BDEDLO C#CC[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000491695354 388311624 /nfs/dbraw/zinc/31/16/24/388311624.db2.gz XMOSZXYAQACEHU-UHFFFAOYSA-N 1 2 244.323 1.665 20 30 BDEDLO C#CC[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000491695354 388311625 /nfs/dbraw/zinc/31/16/25/388311625.db2.gz XMOSZXYAQACEHU-UHFFFAOYSA-N 1 2 244.323 1.665 20 30 BDEDLO C#C[C@H]1COCCN1c1cc(CC)[nH+]c(C)n1 ZINC000491707525 388313506 /nfs/dbraw/zinc/31/35/06/388313506.db2.gz YGGJADTZJZVXCD-LBPRGKRZSA-N 1 2 231.299 1.186 20 30 BDEDLO C#CC[N@@H+](CC(=O)NC1CCCCC1)C1CC1 ZINC000491718786 388314541 /nfs/dbraw/zinc/31/45/41/388314541.db2.gz WHHXNFCJCPZKKU-UHFFFAOYSA-N 1 2 234.343 1.533 20 30 BDEDLO C#CC[N@H+](CC(=O)NC1CCCCC1)C1CC1 ZINC000491718786 388314542 /nfs/dbraw/zinc/31/45/42/388314542.db2.gz WHHXNFCJCPZKKU-UHFFFAOYSA-N 1 2 234.343 1.533 20 30 BDEDLO C#CC[N@@H+](CC)Cc1c(C)nnn1CC ZINC000491740656 388316873 /nfs/dbraw/zinc/31/68/73/388316873.db2.gz UBKZAXNIDFJYNZ-UHFFFAOYSA-N 1 2 206.293 1.062 20 30 BDEDLO C#CC[N@H+](CC)Cc1c(C)nnn1CC ZINC000491740656 388316874 /nfs/dbraw/zinc/31/68/74/388316874.db2.gz UBKZAXNIDFJYNZ-UHFFFAOYSA-N 1 2 206.293 1.062 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccn(CCC)c1 ZINC000491815487 388323189 /nfs/dbraw/zinc/32/31/89/388323189.db2.gz FVQOWTJJNXBVIJ-CQSZACIVSA-N 1 2 232.327 1.732 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccn(CCC)c1 ZINC000491815487 388323190 /nfs/dbraw/zinc/32/31/90/388323190.db2.gz FVQOWTJJNXBVIJ-CQSZACIVSA-N 1 2 232.327 1.732 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCN(C)c1ccccc1 ZINC000491814446 388323342 /nfs/dbraw/zinc/32/33/42/388323342.db2.gz CYGRVVZROWGJAP-AWEZNQCLSA-N 1 2 244.338 1.457 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCN(C)c1ccccc1 ZINC000491814446 388323343 /nfs/dbraw/zinc/32/33/43/388323343.db2.gz CYGRVVZROWGJAP-AWEZNQCLSA-N 1 2 244.338 1.457 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000491819761 388323812 /nfs/dbraw/zinc/32/38/12/388323812.db2.gz VQXSEBBYFGUBJG-LBPRGKRZSA-N 1 2 245.326 1.862 20 30 BDEDLO C#CCN(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491821328 388324081 /nfs/dbraw/zinc/32/40/81/388324081.db2.gz VMGBKXPEVGPWMX-UHFFFAOYSA-N 1 2 242.282 1.740 20 30 BDEDLO C[C@H](C#N)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000521142879 256616002 /nfs/dbraw/zinc/61/60/02/256616002.db2.gz RTOVYVDWBVCUMZ-SNVBAGLBSA-N 1 2 242.282 1.153 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)Nc1cc[nH+]cc1C ZINC000491220186 388277871 /nfs/dbraw/zinc/27/78/71/388277871.db2.gz LDODKZHYKJZJAH-NSHDSACASA-N 1 2 231.299 1.735 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@H](C)CC#N ZINC000492316302 388341097 /nfs/dbraw/zinc/34/10/97/388341097.db2.gz GGNJSLZJXIQTCZ-MVIFTORASA-N 1 2 246.314 1.677 20 30 BDEDLO CCn1cc[nH+]c1C=CC(=O)NC1=NO[C@@H](C)C1 ZINC000492333273 388341722 /nfs/dbraw/zinc/34/17/22/388341722.db2.gz VZIHCIRPLNXATF-WBSSQXGSSA-N 1 2 248.286 1.155 20 30 BDEDLO C#C[C@@H](CC)[NH2+][C@H](CCC)C(=O)OCC ZINC000233296147 388345544 /nfs/dbraw/zinc/34/55/44/388345544.db2.gz FJCDTCNHFFNMLW-WDEREUQCSA-N 1 2 211.305 1.720 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000646364611 388346103 /nfs/dbraw/zinc/34/61/03/388346103.db2.gz ASFZUIPUYISKNT-NXEZZACHSA-N 1 2 237.303 1.568 20 30 BDEDLO CC(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572965431 388400574 /nfs/dbraw/zinc/40/05/74/388400574.db2.gz ONSMZSFPZKDXKY-PWSUYJOCSA-N 1 2 225.336 1.239 20 30 BDEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000336336055 388456437 /nfs/dbraw/zinc/45/64/37/388456437.db2.gz QHVYXRBFWPYWJP-LLVKDONJSA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336336055 388456438 /nfs/dbraw/zinc/45/64/38/388456438.db2.gz QHVYXRBFWPYWJP-LLVKDONJSA-N 1 2 243.310 1.073 20 30 BDEDLO Cn1cc([C@@H]([NH2+]CCC#N)C2(CO)CCC2)cn1 ZINC000573206584 388431317 /nfs/dbraw/zinc/43/13/17/388431317.db2.gz FYROWCCRTBZPGH-GFCCVEGCSA-N 1 2 248.330 1.127 20 30 BDEDLO CC#CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000135493015 388498724 /nfs/dbraw/zinc/49/87/24/388498724.db2.gz ZXJYBXGEJNTRHL-UHFFFAOYSA-N 1 2 248.330 1.362 20 30 BDEDLO N#C[C@H]1C[N@H+](C[C@H]2CC=CCC2)CCO1 ZINC000245801856 388605272 /nfs/dbraw/zinc/60/52/72/388605272.db2.gz XYCNFNWPIGCCKY-RYUDHWBXSA-N 1 2 206.289 1.567 20 30 BDEDLO N#C[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000245801856 388605273 /nfs/dbraw/zinc/60/52/73/388605273.db2.gz XYCNFNWPIGCCKY-RYUDHWBXSA-N 1 2 206.289 1.567 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CCOC1 ZINC000356218773 388606261 /nfs/dbraw/zinc/60/62/61/388606261.db2.gz NKCMXJUOYJSPKC-VIFPVBQESA-N 1 2 223.301 1.235 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCOC1 ZINC000356218773 388606264 /nfs/dbraw/zinc/60/62/64/388606264.db2.gz NKCMXJUOYJSPKC-VIFPVBQESA-N 1 2 223.301 1.235 20 30 BDEDLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356416130 388607425 /nfs/dbraw/zinc/60/74/25/388607425.db2.gz DJGCVOSKMDMJSD-RKDXNWHRSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356416130 388607428 /nfs/dbraw/zinc/60/74/28/388607428.db2.gz DJGCVOSKMDMJSD-RKDXNWHRSA-N 1 2 237.328 1.217 20 30 BDEDLO C=CCOCC[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528617095 388551900 /nfs/dbraw/zinc/55/19/00/388551900.db2.gz OVKQDRLHCLALNE-UHFFFAOYSA-N 1 2 249.314 1.502 20 30 BDEDLO C=CCOCC[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528617095 388551903 /nfs/dbraw/zinc/55/19/03/388551903.db2.gz OVKQDRLHCLALNE-UHFFFAOYSA-N 1 2 249.314 1.502 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCCCC1 ZINC000517650699 388556518 /nfs/dbraw/zinc/55/65/18/388556518.db2.gz IQPAHXKBWGUTKC-CYBMUJFWSA-N 1 2 237.347 1.527 20 30 BDEDLO C#CC[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185285872 388585283 /nfs/dbraw/zinc/58/52/83/388585283.db2.gz ATOGKAAHUXNTIP-AWEZNQCLSA-N 1 2 213.346 1.243 20 30 BDEDLO C#CC[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185285872 388585285 /nfs/dbraw/zinc/58/52/85/388585285.db2.gz ATOGKAAHUXNTIP-AWEZNQCLSA-N 1 2 213.346 1.243 20 30 BDEDLO C[C@H](CCC#N)[NH2+][C@H](C)c1csnn1 ZINC000522006720 388674038 /nfs/dbraw/zinc/67/40/38/388674038.db2.gz UPEOJYXAPGLEKN-HTQZYQBOSA-N 1 2 210.306 1.881 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CC(C)C)C(C)C ZINC000192221079 388676176 /nfs/dbraw/zinc/67/61/76/388676176.db2.gz KPZBUJLFCIEXKU-UHFFFAOYSA-N 1 2 224.348 1.444 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CC(C)C)C(C)C ZINC000192221079 388676179 /nfs/dbraw/zinc/67/61/79/388676179.db2.gz KPZBUJLFCIEXKU-UHFFFAOYSA-N 1 2 224.348 1.444 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CC(C)C1 ZINC000125781171 388677011 /nfs/dbraw/zinc/67/70/11/388677011.db2.gz LXUHEBXXILVDKU-QWKFWESOSA-N 1 2 246.314 1.328 20 30 BDEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCOC1=O ZINC000057359169 388621202 /nfs/dbraw/zinc/62/12/02/388621202.db2.gz AFVMKJKHWOYRFH-LBPRGKRZSA-N 1 2 230.267 1.306 20 30 BDEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCOC1=O ZINC000057359169 388621206 /nfs/dbraw/zinc/62/12/06/388621206.db2.gz AFVMKJKHWOYRFH-LBPRGKRZSA-N 1 2 230.267 1.306 20 30 BDEDLO Cc1cc(NCCc2cn(C)c[nH+]2)cc(C#N)n1 ZINC000313473660 388684418 /nfs/dbraw/zinc/68/44/18/388684418.db2.gz OIVLLQSNSHHSOZ-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO CC#CC[N@@H+](CC(=O)OCC)C1CCCC1 ZINC000083244250 388634676 /nfs/dbraw/zinc/63/46/76/388634676.db2.gz VVIAWBWJSGIULE-UHFFFAOYSA-N 1 2 223.316 1.817 20 30 BDEDLO CC#CC[N@H+](CC(=O)OCC)C1CCCC1 ZINC000083244250 388634681 /nfs/dbraw/zinc/63/46/81/388634681.db2.gz VVIAWBWJSGIULE-UHFFFAOYSA-N 1 2 223.316 1.817 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000139670344 388648956 /nfs/dbraw/zinc/64/89/56/388648956.db2.gz BRWHWVGTOIKRDQ-SECBINFHSA-N 1 2 234.303 1.917 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000515495880 388649215 /nfs/dbraw/zinc/64/92/15/388649215.db2.gz JWRYTUZJAOOZHC-UONOGXRCSA-N 1 2 243.310 1.707 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000515495880 388649218 /nfs/dbraw/zinc/64/92/18/388649218.db2.gz JWRYTUZJAOOZHC-UONOGXRCSA-N 1 2 243.310 1.707 20 30 BDEDLO CC(C)[N@H+](CCC#N)Cc1cnc(N(C)C)nc1 ZINC000551970167 388650828 /nfs/dbraw/zinc/65/08/28/388650828.db2.gz RNKQEHNDVHIZKD-UHFFFAOYSA-N 1 2 247.346 1.667 20 30 BDEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(N(C)C)nc1 ZINC000551970167 388650831 /nfs/dbraw/zinc/65/08/31/388650831.db2.gz RNKQEHNDVHIZKD-UHFFFAOYSA-N 1 2 247.346 1.667 20 30 BDEDLO C#CC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127984828 388735778 /nfs/dbraw/zinc/73/57/78/388735778.db2.gz JZBVZCJUBOYOOZ-SECBINFHSA-N 1 2 220.238 1.188 20 30 BDEDLO C#CC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127984828 388735780 /nfs/dbraw/zinc/73/57/80/388735780.db2.gz JZBVZCJUBOYOOZ-SECBINFHSA-N 1 2 220.238 1.188 20 30 BDEDLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000449474919 388750055 /nfs/dbraw/zinc/75/00/55/388750055.db2.gz WNVIPFJZVRHCEE-PSASIEDQSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000449474919 388750059 /nfs/dbraw/zinc/75/00/59/388750059.db2.gz WNVIPFJZVRHCEE-PSASIEDQSA-N 1 2 237.328 1.360 20 30 BDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CC#N ZINC000195119641 388697450 /nfs/dbraw/zinc/69/74/50/388697450.db2.gz RWSAUTYUYMODBP-UHFFFAOYSA-N 1 2 242.282 1.327 20 30 BDEDLO CCn1nncc1C[NH2+]Cc1ccc(C#N)o1 ZINC000527725589 388699282 /nfs/dbraw/zinc/69/92/82/388699282.db2.gz FPXBDHMLAVVDLR-UHFFFAOYSA-N 1 2 231.259 1.052 20 30 BDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127593204 388726583 /nfs/dbraw/zinc/72/65/83/388726583.db2.gz BRLFIEOKNYLNTF-NSHDSACASA-N 1 2 238.331 1.561 20 30 BDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127593204 388726584 /nfs/dbraw/zinc/72/65/84/388726584.db2.gz BRLFIEOKNYLNTF-NSHDSACASA-N 1 2 238.331 1.561 20 30 BDEDLO COc1cc[nH+]cc1CNc1ccc(C#N)cn1 ZINC000431501020 388731539 /nfs/dbraw/zinc/73/15/39/388731539.db2.gz VQWGGJNLTIMENG-UHFFFAOYSA-N 1 2 240.266 1.391 20 30 BDEDLO Cc1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000541934806 388877406 /nfs/dbraw/zinc/87/74/06/388877406.db2.gz WRBCAQZTRNKLRE-UHFFFAOYSA-N 1 2 216.288 1.915 20 30 BDEDLO C=C(CC)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565208977 388925798 /nfs/dbraw/zinc/92/57/98/388925798.db2.gz LXHHXEOUIPNQKL-SNVBAGLBSA-N 1 2 221.304 1.671 20 30 BDEDLO C=C(CC)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565208977 388925800 /nfs/dbraw/zinc/92/58/00/388925800.db2.gz LXHHXEOUIPNQKL-SNVBAGLBSA-N 1 2 221.304 1.671 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566012391 388983071 /nfs/dbraw/zinc/98/30/71/388983071.db2.gz CBIZALJJASDFKI-LBPRGKRZSA-N 1 2 247.342 1.870 20 30 BDEDLO C#C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC000298013148 533325122 /nfs/dbraw/zinc/32/51/22/533325122.db2.gz PAJMPLPUFAXVRV-LBPRGKRZSA-N 1 2 246.314 1.066 20 30 BDEDLO N#Cc1ccnc(N2CCn3c[nH+]cc3C2)c1 ZINC000290714460 132217311 /nfs/dbraw/zinc/21/73/11/132217311.db2.gz OSTWTKVVPFQFHC-UHFFFAOYSA-N 1 2 225.255 1.170 20 30 BDEDLO N#CC1(C(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000044385646 322841868 /nfs/dbraw/zinc/84/18/68/322841868.db2.gz MDMAMYYLXFVFKK-UHFFFAOYSA-N 1 2 246.314 1.473 20 30 BDEDLO N#CCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330878346 133632020 /nfs/dbraw/zinc/63/20/20/133632020.db2.gz AHCDDNILHPOWDE-UHFFFAOYSA-N 1 2 246.314 1.810 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000335973547 134030337 /nfs/dbraw/zinc/03/03/37/134030337.db2.gz OTWOKQFAFJAOBR-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000335973547 134030338 /nfs/dbraw/zinc/03/03/38/134030338.db2.gz OTWOKQFAFJAOBR-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO Cc1cn[nH]c1C[NH+]1CCC(C#N)CC1 ZINC000336011807 134051650 /nfs/dbraw/zinc/05/16/50/134051650.db2.gz AIHHETYQYSKANS-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1c[nH]nc1C[NH+]1CCC(C#N)CC1 ZINC000336011807 134051651 /nfs/dbraw/zinc/05/16/51/134051651.db2.gz AIHHETYQYSKANS-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO N#CCNC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000352201583 134100862 /nfs/dbraw/zinc/10/08/62/134100862.db2.gz GFCATJNXVYABDV-UHFFFAOYSA-N 1 2 245.273 1.184 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336436135 134146964 /nfs/dbraw/zinc/14/69/64/134146964.db2.gz CSBUWGYDUUWVNK-TVQRCGJNSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336436135 134146965 /nfs/dbraw/zinc/14/69/65/134146965.db2.gz CSBUWGYDUUWVNK-TVQRCGJNSA-N 1 2 246.314 1.323 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336440697 134147459 /nfs/dbraw/zinc/14/74/59/134147459.db2.gz UOMTYXKYCSDAPK-JTQLQIEISA-N 1 2 233.315 1.864 20 30 BDEDLO C[C@H]1C[NH+](CCCC#N)C[C@H](C)S1=O ZINC000336627628 134152366 /nfs/dbraw/zinc/15/23/66/134152366.db2.gz CYAJASOGHKZCAJ-UWVGGRQHSA-N 1 2 214.334 1.131 20 30 BDEDLO C#CCOCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000302200712 134157678 /nfs/dbraw/zinc/15/76/78/134157678.db2.gz ZEMDNKGBHRMQKK-UHFFFAOYSA-N 1 2 245.326 1.726 20 30 BDEDLO C=CCOCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000354769555 134170009 /nfs/dbraw/zinc/17/00/09/134170009.db2.gz ZZUYERJMKBSDNI-NSHDSACASA-N 1 2 249.314 1.666 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358388508 134187878 /nfs/dbraw/zinc/18/78/78/134187878.db2.gz DVCGODCDBZBSRE-QWRGUYRKSA-N 1 2 247.342 1.986 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358388508 134187879 /nfs/dbraw/zinc/18/78/79/134187879.db2.gz DVCGODCDBZBSRE-QWRGUYRKSA-N 1 2 247.342 1.986 20 30 BDEDLO N#CCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360379982 134200209 /nfs/dbraw/zinc/20/02/09/134200209.db2.gz VAOBKBCJSMSLMI-VIFPVBQESA-N 1 2 232.287 1.077 20 30 BDEDLO N#CCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360379982 134200210 /nfs/dbraw/zinc/20/02/10/134200210.db2.gz VAOBKBCJSMSLMI-VIFPVBQESA-N 1 2 232.287 1.077 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccn(C(F)F)n1 ZINC000361639597 134206842 /nfs/dbraw/zinc/20/68/42/134206842.db2.gz PJZYUGDKOFTZIL-UHFFFAOYSA-N 1 2 245.273 1.913 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccn(C(F)F)n1 ZINC000361639597 134206843 /nfs/dbraw/zinc/20/68/43/134206843.db2.gz PJZYUGDKOFTZIL-UHFFFAOYSA-N 1 2 245.273 1.913 20 30 BDEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@@H](C2CC2)O1 ZINC000369406957 134222649 /nfs/dbraw/zinc/22/26/49/134222649.db2.gz DHSAEKHOVKUSDC-BZPMIXESSA-N 1 2 247.342 1.929 20 30 BDEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H](C2CC2)O1 ZINC000369406957 134222650 /nfs/dbraw/zinc/22/26/50/134222650.db2.gz DHSAEKHOVKUSDC-BZPMIXESSA-N 1 2 247.342 1.929 20 30 BDEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000372650689 134232618 /nfs/dbraw/zinc/23/26/18/134232618.db2.gz RSVPMLMXUQDKAQ-ZDUSSCGKSA-N 1 2 228.295 1.094 20 30 BDEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000372650689 134232619 /nfs/dbraw/zinc/23/26/19/134232619.db2.gz RSVPMLMXUQDKAQ-ZDUSSCGKSA-N 1 2 228.295 1.094 20 30 BDEDLO N#CCCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000373953253 134235310 /nfs/dbraw/zinc/23/53/10/134235310.db2.gz DWCYEXAQMNTKLA-ZDUSSCGKSA-N 1 2 243.310 1.375 20 30 BDEDLO N#CCCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000373953253 134235311 /nfs/dbraw/zinc/23/53/11/134235311.db2.gz DWCYEXAQMNTKLA-ZDUSSCGKSA-N 1 2 243.310 1.375 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000374158950 134236087 /nfs/dbraw/zinc/23/60/87/134236087.db2.gz IIYMCCBOWIMNMD-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO CN(C)c1noc([C@@H]2CCC[N@@H+]2CCCC#N)n1 ZINC000375638956 134240111 /nfs/dbraw/zinc/24/01/11/134240111.db2.gz LASFGOVSUYNBSF-JTQLQIEISA-N 1 2 249.318 1.576 20 30 BDEDLO CN(C)c1noc([C@@H]2CCC[N@H+]2CCCC#N)n1 ZINC000375638956 134240112 /nfs/dbraw/zinc/24/01/12/134240112.db2.gz LASFGOVSUYNBSF-JTQLQIEISA-N 1 2 249.318 1.576 20 30 BDEDLO C=CC[N@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000375800167 134240665 /nfs/dbraw/zinc/24/06/65/134240665.db2.gz YQRVMBPMTKUCCB-VIFPVBQESA-N 1 2 222.292 1.459 20 30 BDEDLO C=CC[N@@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000375800167 134240666 /nfs/dbraw/zinc/24/06/66/134240666.db2.gz YQRVMBPMTKUCCB-VIFPVBQESA-N 1 2 222.292 1.459 20 30 BDEDLO C#CCOCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378522588 134246163 /nfs/dbraw/zinc/24/61/63/134246163.db2.gz PJCOQSZFVCMRMX-NSHDSACASA-N 1 2 247.298 1.113 20 30 BDEDLO Cc1cccc2[nH+]c(Cn3ccnc3C#N)cn21 ZINC000179859273 134324563 /nfs/dbraw/zinc/32/45/63/134324563.db2.gz PZEKCWQUMQPLFM-UHFFFAOYSA-N 1 2 237.266 1.759 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000184938367 134371275 /nfs/dbraw/zinc/37/12/75/134371275.db2.gz OZURXGVMSBLPKS-GFCCVEGCSA-N 1 2 240.347 1.037 20 30 BDEDLO Cc1noc([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000408109177 134394248 /nfs/dbraw/zinc/39/42/48/134394248.db2.gz DVBMSCCNJIARQI-NSHDSACASA-N 1 2 246.314 1.861 20 30 BDEDLO Cc1noc([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000408109177 134394250 /nfs/dbraw/zinc/39/42/50/134394250.db2.gz DVBMSCCNJIARQI-NSHDSACASA-N 1 2 246.314 1.861 20 30 BDEDLO C=CCOCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000339000463 135051215 /nfs/dbraw/zinc/05/12/15/135051215.db2.gz MDBPGGHYUSQCPW-UHFFFAOYSA-N 1 2 241.331 1.655 20 30 BDEDLO C=C(C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000339355307 135071655 /nfs/dbraw/zinc/07/16/55/135071655.db2.gz PYEGNUMAFJGKDE-UHFFFAOYSA-N 1 2 221.304 1.722 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(C)c1nccs1 ZINC000339766032 135081090 /nfs/dbraw/zinc/08/10/90/135081090.db2.gz MPXQQURWCSUKMV-UHFFFAOYSA-N 1 2 237.328 1.061 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC000339766032 135081091 /nfs/dbraw/zinc/08/10/91/135081091.db2.gz MPXQQURWCSUKMV-UHFFFAOYSA-N 1 2 237.328 1.061 20 30 BDEDLO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CCC#N)c1 ZINC000253623523 135127706 /nfs/dbraw/zinc/12/77/06/135127706.db2.gz YDHHYLLYJLTCPY-JSGCOSHPSA-N 1 2 246.310 1.717 20 30 BDEDLO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2CCC#N)c1 ZINC000253623523 135127707 /nfs/dbraw/zinc/12/77/07/135127707.db2.gz YDHHYLLYJLTCPY-JSGCOSHPSA-N 1 2 246.310 1.717 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265010473 135141503 /nfs/dbraw/zinc/14/15/03/135141503.db2.gz QKLXUYOEBCKAFZ-UHFFFAOYSA-N 1 2 248.282 1.194 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265010473 135141504 /nfs/dbraw/zinc/14/15/04/135141504.db2.gz QKLXUYOEBCKAFZ-UHFFFAOYSA-N 1 2 248.282 1.194 20 30 BDEDLO NC(COc1ccccc1)=[NH+]OC1CCC1 ZINC000292758237 135178509 /nfs/dbraw/zinc/17/85/09/135178509.db2.gz ODMNWJCRZKTHAI-UHFFFAOYSA-N 1 2 220.272 1.907 20 30 BDEDLO Cn1ccnc1C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293732274 135183523 /nfs/dbraw/zinc/18/35/23/135183523.db2.gz GSVKNPFQEODATH-WDEREUQCSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293732274 135183524 /nfs/dbraw/zinc/18/35/24/135183524.db2.gz GSVKNPFQEODATH-WDEREUQCSA-N 1 2 218.304 1.544 20 30 BDEDLO CCN(CC#N)Cc1[nH+]ccn1C(C)C ZINC000299629998 135205956 /nfs/dbraw/zinc/20/59/56/135205956.db2.gz SRXQDUCIXRNJCJ-UHFFFAOYSA-N 1 2 206.293 1.809 20 30 BDEDLO C=CCCC[C@@H](C)[N@H+](C)Cc1nnc[nH]1 ZINC000340867087 135230905 /nfs/dbraw/zinc/23/09/05/135230905.db2.gz GXYWWLZUKNNAOC-SNVBAGLBSA-N 1 2 208.309 1.981 20 30 BDEDLO C=CCCC[C@@H](C)[N@@H+](C)Cc1nnc[nH]1 ZINC000340867087 135230908 /nfs/dbraw/zinc/23/09/08/135230908.db2.gz GXYWWLZUKNNAOC-SNVBAGLBSA-N 1 2 208.309 1.981 20 30 BDEDLO C=C[C@@H](C)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000342477657 135279260 /nfs/dbraw/zinc/27/92/60/135279260.db2.gz GZHULLIHJBILPL-SECBINFHSA-N 1 2 235.335 1.509 20 30 BDEDLO C=C[C@@H](C)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000342477657 135279262 /nfs/dbraw/zinc/27/92/62/135279262.db2.gz GZHULLIHJBILPL-SECBINFHSA-N 1 2 235.335 1.509 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342649137 135306992 /nfs/dbraw/zinc/30/69/92/135306992.db2.gz WAZQIGKACDFORU-SNVBAGLBSA-N 1 2 222.288 1.402 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342649137 135306994 /nfs/dbraw/zinc/30/69/94/135306994.db2.gz WAZQIGKACDFORU-SNVBAGLBSA-N 1 2 222.288 1.402 20 30 BDEDLO Cc1c[nH+]c(CN(C[C@@H](C)C#N)C2CC2)n1C ZINC000342788144 135318832 /nfs/dbraw/zinc/31/88/32/135318832.db2.gz VIOKHWPPBIADOZ-JTQLQIEISA-N 1 2 232.331 1.853 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335351459 136069222 /nfs/dbraw/zinc/06/92/22/136069222.db2.gz VMCPLMIRXFSZEN-WDEREUQCSA-N 1 2 246.314 1.206 20 30 BDEDLO CC(=O)Nc1ccccc1C[NH+]1CC(CC#N)C1 ZINC000597194276 398011429 /nfs/dbraw/zinc/01/14/29/398011429.db2.gz QHGIADSTSXEJCD-UHFFFAOYSA-N 1 2 243.310 1.990 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCC(C)(F)F ZINC000491407737 398040835 /nfs/dbraw/zinc/04/08/35/398040835.db2.gz SLIJNJJPDPXXLW-VIFPVBQESA-N 1 2 203.232 1.366 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCC(C)(F)F ZINC000491407737 398040838 /nfs/dbraw/zinc/04/08/38/398040838.db2.gz SLIJNJJPDPXXLW-VIFPVBQESA-N 1 2 203.232 1.366 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334450673 398092176 /nfs/dbraw/zinc/09/21/76/398092176.db2.gz SGGYNUUPZLFRHE-ZDUSSCGKSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334450673 398092178 /nfs/dbraw/zinc/09/21/78/398092178.db2.gz SGGYNUUPZLFRHE-ZDUSSCGKSA-N 1 2 246.285 1.654 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCc1cc(CC)no1 ZINC000491633488 398050789 /nfs/dbraw/zinc/05/07/89/398050789.db2.gz PXYWKFYTQHSFMY-CYBMUJFWSA-N 1 2 248.326 1.504 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1cc(CC)no1 ZINC000491633488 398050793 /nfs/dbraw/zinc/05/07/93/398050793.db2.gz PXYWKFYTQHSFMY-CYBMUJFWSA-N 1 2 248.326 1.504 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCCc1nc(C)no1 ZINC000292086536 398100172 /nfs/dbraw/zinc/10/01/72/398100172.db2.gz FCFBQQLRTODSHV-UHFFFAOYSA-N 1 2 234.303 1.712 20 30 BDEDLO C=CC[N@H+](CCC#N)CCCc1nc(C)no1 ZINC000292086536 398100174 /nfs/dbraw/zinc/10/01/74/398100174.db2.gz FCFBQQLRTODSHV-UHFFFAOYSA-N 1 2 234.303 1.712 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CCC)no1 ZINC000279394496 166110286 /nfs/dbraw/zinc/11/02/86/166110286.db2.gz ZDANAYAUFPCTSS-UHFFFAOYSA-N 1 2 221.304 1.866 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CCC)no1 ZINC000279394496 166110289 /nfs/dbraw/zinc/11/02/89/166110289.db2.gz ZDANAYAUFPCTSS-UHFFFAOYSA-N 1 2 221.304 1.866 20 30 BDEDLO C#CCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000270650070 166147974 /nfs/dbraw/zinc/14/79/74/166147974.db2.gz TXFBXGTUWHFSRW-UHFFFAOYSA-N 1 2 209.289 1.475 20 30 BDEDLO C=CC[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660680788 409529623 /nfs/dbraw/zinc/52/96/23/409529623.db2.gz HBSYCAKNVABOFE-VIFPVBQESA-N 1 2 222.292 1.516 20 30 BDEDLO C=CC[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660680788 409529631 /nfs/dbraw/zinc/52/96/31/409529631.db2.gz HBSYCAKNVABOFE-VIFPVBQESA-N 1 2 222.292 1.516 20 30 BDEDLO C=CC[N@H+](Cc1cc[nH]n1)[C@H](C)COC ZINC000661241394 410402679 /nfs/dbraw/zinc/40/26/79/410402679.db2.gz XIXWHWYDANRHFE-SNVBAGLBSA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@@H+](Cc1cc[nH]n1)[C@H](C)COC ZINC000661241394 410402683 /nfs/dbraw/zinc/40/26/83/410402683.db2.gz XIXWHWYDANRHFE-SNVBAGLBSA-N 1 2 209.293 1.433 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C)cc1 ZINC000266893000 166167924 /nfs/dbraw/zinc/16/79/24/166167924.db2.gz DPDHRJXLTPXUSH-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)N(C)c1ccccc1 ZINC000266959751 166166557 /nfs/dbraw/zinc/16/65/57/166166557.db2.gz WIISJYSBZKSKJI-UHFFFAOYSA-N 1 2 230.311 1.605 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)N(C)c1ccccc1 ZINC000266959751 166166560 /nfs/dbraw/zinc/16/65/60/166166560.db2.gz WIISJYSBZKSKJI-UHFFFAOYSA-N 1 2 230.311 1.605 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C)cc1 ZINC000266893000 166167923 /nfs/dbraw/zinc/16/79/23/166167923.db2.gz DPDHRJXLTPXUSH-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO C=CCCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000279563760 166244264 /nfs/dbraw/zinc/24/42/64/166244264.db2.gz UFYKNJGAMYFBDO-UHFFFAOYSA-N 1 2 244.302 1.623 20 30 BDEDLO C=CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000271325522 166311429 /nfs/dbraw/zinc/31/14/29/166311429.db2.gz PWJLNTMYUMZIHF-LLVKDONJSA-N 1 2 248.330 1.632 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000154787529 166324809 /nfs/dbraw/zinc/32/48/09/166324809.db2.gz BDVRMHKAAIFSMJ-UHFFFAOYSA-N 1 2 243.314 1.339 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000154787529 166324811 /nfs/dbraw/zinc/32/48/11/166324811.db2.gz BDVRMHKAAIFSMJ-UHFFFAOYSA-N 1 2 243.314 1.339 20 30 BDEDLO C=CC[NH+](CC=C)Cc1ncc(C)cn1 ZINC000340656799 166337252 /nfs/dbraw/zinc/33/72/52/166337252.db2.gz CEKXSKGKEQNYEO-UHFFFAOYSA-N 1 2 203.289 1.959 20 30 BDEDLO C=CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268708474 166355756 /nfs/dbraw/zinc/35/57/56/166355756.db2.gz WYQPGRFBBGIYGF-NWDGAFQWSA-N 1 2 237.299 1.590 20 30 BDEDLO C=CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268708474 166355758 /nfs/dbraw/zinc/35/57/58/166355758.db2.gz WYQPGRFBBGIYGF-NWDGAFQWSA-N 1 2 237.299 1.590 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC=C(F)C1 ZINC000271594981 166382789 /nfs/dbraw/zinc/38/27/89/166382789.db2.gz HEWUXIVMGKUXAQ-SECBINFHSA-N 1 2 212.268 1.236 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC=C(F)C1 ZINC000271594981 166382791 /nfs/dbraw/zinc/38/27/91/166382791.db2.gz HEWUXIVMGKUXAQ-SECBINFHSA-N 1 2 212.268 1.236 20 30 BDEDLO C=CCCN(C)c1nc[nH+]c(N)c1OC ZINC000656180149 411193455 /nfs/dbraw/zinc/19/34/55/411193455.db2.gz MWGPWSNMFLOYLY-UHFFFAOYSA-N 1 2 208.265 1.080 20 30 BDEDLO C=CCCN(C)c1[nH+]cnc(N)c1OC ZINC000656180149 411193458 /nfs/dbraw/zinc/19/34/58/411193458.db2.gz MWGPWSNMFLOYLY-UHFFFAOYSA-N 1 2 208.265 1.080 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC(C)(C)C)nn1 ZINC000656454206 411262188 /nfs/dbraw/zinc/26/21/88/411262188.db2.gz LNNHIEQUCJIYEL-UHFFFAOYSA-N 1 2 220.320 1.437 20 30 BDEDLO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159212 411272377 /nfs/dbraw/zinc/27/23/77/411272377.db2.gz NRJHYVLTIHFPSW-VHSXEESVSA-N 1 2 238.335 1.641 20 30 BDEDLO C=CC[N@@H+](Cc1cc(OC)no1)C1CC1 ZINC000660171522 411279690 /nfs/dbraw/zinc/27/96/90/411279690.db2.gz VIHYNGBBBWZOGC-UHFFFAOYSA-N 1 2 208.261 1.834 20 30 BDEDLO C=CC[N@H+](Cc1cc(OC)no1)C1CC1 ZINC000660171522 411279692 /nfs/dbraw/zinc/27/96/92/411279692.db2.gz VIHYNGBBBWZOGC-UHFFFAOYSA-N 1 2 208.261 1.834 20 30 BDEDLO CC1(O)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356138614 168067413 /nfs/dbraw/zinc/06/74/13/168067413.db2.gz RGKOMHYDDDTLOD-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2CCCOCC2)nn1 ZINC000653524242 411417923 /nfs/dbraw/zinc/41/79/23/411417923.db2.gz JTPDPOVHFRKHSO-UHFFFAOYSA-N 1 2 236.319 1.077 20 30 BDEDLO C=CCCn1cc(C[N@H+]2CCCOCC2)nn1 ZINC000653524242 411417925 /nfs/dbraw/zinc/41/79/25/411417925.db2.gz JTPDPOVHFRKHSO-UHFFFAOYSA-N 1 2 236.319 1.077 20 30 BDEDLO C=C[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657392790 411492045 /nfs/dbraw/zinc/49/20/45/411492045.db2.gz CGXUNZBAISTRLP-MRVPVSSYSA-N 1 2 209.297 1.092 20 30 BDEDLO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000661114678 411712734 /nfs/dbraw/zinc/71/27/34/411712734.db2.gz JQTOJAQWBAGNCR-VHSXEESVSA-N 1 2 236.319 1.735 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660881877 411662482 /nfs/dbraw/zinc/66/24/82/411662482.db2.gz PSVYZVWMYURXLI-DTWKUNHWSA-N 1 2 222.292 1.355 20 30 BDEDLO C=C(C)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661046163 411692570 /nfs/dbraw/zinc/69/25/70/411692570.db2.gz QWUQUTDHTKGMMV-VIFPVBQESA-N 1 2 222.292 1.356 20 30 BDEDLO C=CCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000661282389 411747333 /nfs/dbraw/zinc/74/73/33/411747333.db2.gz WLLNTVOARHPCLA-NXEZZACHSA-N 1 2 234.303 1.764 20 30 BDEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)cn2)C[C@@H](C)C1=O ZINC000661545010 411799967 /nfs/dbraw/zinc/79/99/67/411799967.db2.gz NNLLCEJNNMRVND-GHMZBOCLSA-N 1 2 243.310 1.610 20 30 BDEDLO C[C@@H]1C[NH+](Cc2ccnc(C#N)c2)C[C@@H](C)C1=O ZINC000661547054 411800174 /nfs/dbraw/zinc/80/01/74/411800174.db2.gz RRRYFJAGEOWGDE-GHMZBOCLSA-N 1 2 243.310 1.610 20 30 BDEDLO C=CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661565549 411804688 /nfs/dbraw/zinc/80/46/88/411804688.db2.gz PFDNTQMKXNKGOE-UHFFFAOYSA-N 1 2 208.265 1.127 20 30 BDEDLO C=CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661565549 411804691 /nfs/dbraw/zinc/80/46/91/411804691.db2.gz PFDNTQMKXNKGOE-UHFFFAOYSA-N 1 2 208.265 1.127 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662371310 412128266 /nfs/dbraw/zinc/12/82/66/412128266.db2.gz HUFKJXBOOFULES-MWLCHTKSSA-N 1 2 235.274 1.279 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662371310 412128270 /nfs/dbraw/zinc/12/82/70/412128270.db2.gz HUFKJXBOOFULES-MWLCHTKSSA-N 1 2 235.274 1.279 20 30 BDEDLO CCc1nnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000408159010 172048643 /nfs/dbraw/zinc/04/86/43/172048643.db2.gz NTHRGYRMMGDGIJ-UHFFFAOYSA-N 1 2 234.303 1.758 20 30 BDEDLO CCn1ccnc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061892579 172224902 /nfs/dbraw/zinc/22/49/02/172224902.db2.gz ACSWIIFFIMZXAH-MNOVXSKESA-N 1 2 218.304 1.685 20 30 BDEDLO CCn1cc[nH+]c1CN[C@H]1CCC[C@@H]1C#N ZINC000061892579 172224905 /nfs/dbraw/zinc/22/49/05/172224905.db2.gz ACSWIIFFIMZXAH-MNOVXSKESA-N 1 2 218.304 1.685 20 30 BDEDLO C[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000044384983 173064669 /nfs/dbraw/zinc/06/46/69/173064669.db2.gz ZRQRDAIMSRVOQU-UHFFFAOYSA-N 1 2 235.331 1.234 20 30 BDEDLO C[C@@H](c1cnccn1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484580 176035979 /nfs/dbraw/zinc/03/59/79/176035979.db2.gz RBRGZFZSITUMNH-JTQLQIEISA-N 1 2 234.278 1.865 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC(=O)N1C ZINC000282027703 176304775 /nfs/dbraw/zinc/30/47/75/176304775.db2.gz FISVUFMVLSYOMF-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC(=O)N1C ZINC000282027703 176304776 /nfs/dbraw/zinc/30/47/76/176304776.db2.gz FISVUFMVLSYOMF-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000339577034 176316788 /nfs/dbraw/zinc/31/67/88/176316788.db2.gz CKJSNGWMRSXDSJ-BREBYQMCSA-N 1 2 243.310 1.425 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000339577034 176316789 /nfs/dbraw/zinc/31/67/89/176316789.db2.gz CKJSNGWMRSXDSJ-BREBYQMCSA-N 1 2 243.310 1.425 20 30 BDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000129226056 176347696 /nfs/dbraw/zinc/34/76/96/176347696.db2.gz XCLSWROYHPFXJY-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(C#N)c1 ZINC000129226056 176347698 /nfs/dbraw/zinc/34/76/98/176347698.db2.gz XCLSWROYHPFXJY-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H]1CO ZINC000356425161 177167123 /nfs/dbraw/zinc/16/71/23/177167123.db2.gz MXRQZSGDFDZCIL-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H]1CO ZINC000356425161 177167124 /nfs/dbraw/zinc/16/71/24/177167124.db2.gz MXRQZSGDFDZCIL-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356318545 177167442 /nfs/dbraw/zinc/16/74/42/177167442.db2.gz LRMRHNYCRAPHLV-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356318545 177167444 /nfs/dbraw/zinc/16/74/44/177167444.db2.gz LRMRHNYCRAPHLV-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO N#CC[C@@H]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493730023 226251576 /nfs/dbraw/zinc/25/15/76/226251576.db2.gz VGHOOVWLTJBCNN-SEUFLZDSSA-N 1 2 244.298 1.621 20 30 BDEDLO COCC#CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000671703541 487698005 /nfs/dbraw/zinc/69/80/05/487698005.db2.gz MWDUWXSCPHZMFN-ZDUSSCGKSA-N 1 2 233.315 1.587 20 30 BDEDLO COCC#CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000671703541 487698011 /nfs/dbraw/zinc/69/80/11/487698011.db2.gz MWDUWXSCPHZMFN-ZDUSSCGKSA-N 1 2 233.315 1.587 20 30 BDEDLO Cc1cc(NCC2(O)CCCC2)c(C#N)c[nH+]1 ZINC000398952064 267300316 /nfs/dbraw/zinc/30/03/16/267300316.db2.gz DWXZTPPFYZHRIA-UHFFFAOYSA-N 1 2 231.299 1.401 20 30 BDEDLO Cc1cc(N(C)C[C@@H](C)O)c(C#N)c[nH+]1 ZINC000399263530 267331350 /nfs/dbraw/zinc/33/13/50/267331350.db2.gz QZMPOBGCIBCWIX-SECBINFHSA-N 1 2 205.261 1.079 20 30 BDEDLO C=CCCCN(C)c1nc[nH+]c2c1OCCN2 ZINC000665701869 487734201 /nfs/dbraw/zinc/73/42/01/487734201.db2.gz QEIQATZPPVBIKF-UHFFFAOYSA-N 1 2 234.303 1.683 20 30 BDEDLO C=CCCCN(C)c1[nH+]cnc2c1OCCN2 ZINC000665701869 487734206 /nfs/dbraw/zinc/73/42/06/487734206.db2.gz QEIQATZPPVBIKF-UHFFFAOYSA-N 1 2 234.303 1.683 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665722098 487740335 /nfs/dbraw/zinc/74/03/35/487740335.db2.gz PHZKOXYJWPQDGE-BDAKNGLRSA-N 1 2 248.286 1.036 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665722098 487740337 /nfs/dbraw/zinc/74/03/37/487740337.db2.gz PHZKOXYJWPQDGE-BDAKNGLRSA-N 1 2 248.286 1.036 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc2n(n1)CCCC2 ZINC000649592836 487766935 /nfs/dbraw/zinc/76/69/35/487766935.db2.gz YJJXRVIUIXUEPX-UHFFFAOYSA-N 1 2 249.358 1.854 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc2n(n1)CCCC2 ZINC000649592836 487766940 /nfs/dbraw/zinc/76/69/40/487766940.db2.gz YJJXRVIUIXUEPX-UHFFFAOYSA-N 1 2 249.358 1.854 20 30 BDEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884061 487812705 /nfs/dbraw/zinc/81/27/05/487812705.db2.gz ILDAMLGXHGMPBM-CYBMUJFWSA-N 1 2 235.331 1.760 20 30 BDEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649884061 487812708 /nfs/dbraw/zinc/81/27/08/487812708.db2.gz ILDAMLGXHGMPBM-CYBMUJFWSA-N 1 2 235.331 1.760 20 30 BDEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649883850 487813207 /nfs/dbraw/zinc/81/32/07/487813207.db2.gz DDOFHVVZJFVBHG-ZDUSSCGKSA-N 1 2 233.315 1.207 20 30 BDEDLO CC#CCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649883850 487813211 /nfs/dbraw/zinc/81/32/11/487813211.db2.gz DDOFHVVZJFVBHG-ZDUSSCGKSA-N 1 2 233.315 1.207 20 30 BDEDLO C=CCCCC[NH2+][C@](C)(COC)C(=O)OC ZINC000570668491 323066661 /nfs/dbraw/zinc/06/66/61/323066661.db2.gz ATWOHFMTVXRWTF-GFCCVEGCSA-N 1 2 229.320 1.510 20 30 BDEDLO C[C@H]1C[C@H](Nc2cncc(C#N)n2)c2[nH+]ccn21 ZINC000563052827 323082940 /nfs/dbraw/zinc/08/29/40/323082940.db2.gz DNPFOUKFRIGLDT-WPRPVWTQSA-N 1 2 240.270 1.663 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493856678 323087555 /nfs/dbraw/zinc/08/75/55/323087555.db2.gz PMLZIJOBZUDZRC-VSQXVHSFSA-N 1 2 230.271 1.231 20 30 BDEDLO C#CC[NH+]1CCN(c2ccnc(C(C)C)n2)CC1 ZINC000110126858 323113559 /nfs/dbraw/zinc/11/35/59/323113559.db2.gz QGJJRSSHEAQCRR-UHFFFAOYSA-N 1 2 244.342 1.355 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)cn1 ZINC000563367514 323121429 /nfs/dbraw/zinc/12/14/29/323121429.db2.gz PFISAGFCPYMOLV-LLVKDONJSA-N 1 2 214.272 1.735 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](CC(C)C)C(=O)OCC ZINC000339763536 323121643 /nfs/dbraw/zinc/12/16/43/323121643.db2.gz NVPVTXVPPRWQMV-LBPRGKRZSA-N 1 2 225.332 1.919 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](CC(C)C)C(=O)OCC ZINC000339763536 323121644 /nfs/dbraw/zinc/12/16/44/323121644.db2.gz NVPVTXVPPRWQMV-LBPRGKRZSA-N 1 2 225.332 1.919 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)s1)C(C)(C)C(N)=O ZINC000563546449 323129787 /nfs/dbraw/zinc/12/97/87/323129787.db2.gz BGNZCJXBBWMXOM-UHFFFAOYSA-N 1 2 237.328 1.315 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)s1)C(C)(C)C(N)=O ZINC000563546449 323129788 /nfs/dbraw/zinc/12/97/88/323129788.db2.gz BGNZCJXBBWMXOM-UHFFFAOYSA-N 1 2 237.328 1.315 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000571177927 323137188 /nfs/dbraw/zinc/13/71/88/323137188.db2.gz UOGHVFQLESMROP-NOZJJQNGSA-N 1 2 246.314 1.397 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000571177927 323137189 /nfs/dbraw/zinc/13/71/89/323137189.db2.gz UOGHVFQLESMROP-NOZJJQNGSA-N 1 2 246.314 1.397 20 30 BDEDLO CC1(C)C[NH+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000571175670 323137607 /nfs/dbraw/zinc/13/76/07/323137607.db2.gz IEHGECCDADKCBX-UHFFFAOYSA-N 1 2 249.358 1.671 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052239549 323192921 /nfs/dbraw/zinc/19/29/21/323192921.db2.gz STDFUGLUBNHJLC-UHFFFAOYSA-N 1 2 234.324 1.139 20 30 BDEDLO C[C@H](C#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563958772 323331486 /nfs/dbraw/zinc/33/14/86/323331486.db2.gz AWKJOXGOUZGYQV-VHSXEESVSA-N 1 2 220.276 1.205 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(CCOCC)CC1 ZINC000677048274 487959230 /nfs/dbraw/zinc/95/92/30/487959230.db2.gz TXPQXLVKYSPPAU-AWEZNQCLSA-N 1 2 238.375 1.442 20 30 BDEDLO N#CCC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000545267156 325204341 /nfs/dbraw/zinc/20/43/41/325204341.db2.gz IQRBHEJUSYKMSC-UHFFFAOYSA-N 1 2 224.304 1.172 20 30 BDEDLO N#CCC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000545267156 325204344 /nfs/dbraw/zinc/20/43/44/325204344.db2.gz IQRBHEJUSYKMSC-UHFFFAOYSA-N 1 2 224.304 1.172 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(C(=O)OC)c1 ZINC000076185365 325335380 /nfs/dbraw/zinc/33/53/80/325335380.db2.gz GKARALLOJSTZFV-UHFFFAOYSA-N 1 2 241.290 1.542 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547352746 325346335 /nfs/dbraw/zinc/34/63/35/325346335.db2.gz LJDPJDMYDBABCO-NSHDSACASA-N 1 2 233.315 1.869 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000547786531 325397976 /nfs/dbraw/zinc/39/79/76/325397976.db2.gz XJQSXGUYYLKWLV-NSHDSACASA-N 1 2 246.314 1.934 20 30 BDEDLO CC[C@H](CC#N)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000547786530 325398109 /nfs/dbraw/zinc/39/81/09/325398109.db2.gz XJQSXGUYYLKWLV-LLVKDONJSA-N 1 2 246.314 1.934 20 30 BDEDLO Cc1noc(C)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000552494644 325644938 /nfs/dbraw/zinc/64/49/38/325644938.db2.gz AGFWUQGHJLRNJG-LLVKDONJSA-N 1 2 232.287 1.825 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ccn1 ZINC000565168222 325866688 /nfs/dbraw/zinc/86/66/88/325866688.db2.gz CGBFGNDFOMRVBQ-JTQLQIEISA-N 1 2 219.288 1.872 20 30 BDEDLO CC(C)(C#N)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566364409 326037522 /nfs/dbraw/zinc/03/75/22/326037522.db2.gz PIELDCIIGREBRF-UHFFFAOYSA-N 1 2 234.303 1.701 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000566468381 326052186 /nfs/dbraw/zinc/05/21/86/326052186.db2.gz LLGFEIGUOXFPRJ-BXKDBHETSA-N 1 2 232.287 1.069 20 30 BDEDLO CC#CC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000154388713 326142431 /nfs/dbraw/zinc/14/24/31/326142431.db2.gz CCPJWLRXIOXLIJ-UHFFFAOYSA-N 1 2 242.282 1.587 20 30 BDEDLO CC#CC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000154388713 326142432 /nfs/dbraw/zinc/14/24/32/326142432.db2.gz CCPJWLRXIOXLIJ-UHFFFAOYSA-N 1 2 242.282 1.587 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC000569138211 326392643 /nfs/dbraw/zinc/39/26/43/326392643.db2.gz SZUXYMIQDJWWSM-SNVBAGLBSA-N 1 2 249.318 1.247 20 30 BDEDLO CCc1n[nH]c(=O)c(C[NH2+]CCC#N)c1CC ZINC000573084129 326428468 /nfs/dbraw/zinc/42/84/68/326428468.db2.gz MPGHEXXTYTZSRA-UHFFFAOYSA-N 1 2 234.303 1.310 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682512328 487972915 /nfs/dbraw/zinc/97/29/15/487972915.db2.gz UFWOZCPFCACFJX-NXEZZACHSA-N 1 2 219.288 1.136 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288349659 488000659 /nfs/dbraw/zinc/00/06/59/488000659.db2.gz ZCEZGDKZQSZMKS-SNVBAGLBSA-N 1 2 221.304 1.813 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nccn1C(F)F ZINC000677477773 488047352 /nfs/dbraw/zinc/04/73/52/488047352.db2.gz XBWHMPFVLIZMFP-VIFPVBQESA-N 1 2 245.273 1.647 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nccn1C(F)F ZINC000677477773 488047354 /nfs/dbraw/zinc/04/73/54/488047354.db2.gz XBWHMPFVLIZMFP-VIFPVBQESA-N 1 2 245.273 1.647 20 30 BDEDLO CC#CC[N@H+](C)Cc1cn2ccsc2n1 ZINC000339757922 487489297 /nfs/dbraw/zinc/48/92/97/487489297.db2.gz XXYJXPKTZVSOIP-UHFFFAOYSA-N 1 2 219.313 1.851 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cn2ccsc2n1 ZINC000339757922 487489302 /nfs/dbraw/zinc/48/93/02/487489302.db2.gz XXYJXPKTZVSOIP-UHFFFAOYSA-N 1 2 219.313 1.851 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008742 487497726 /nfs/dbraw/zinc/49/77/26/487497726.db2.gz BRRKIUFQMCNSBC-CYBMUJFWSA-N 1 2 248.301 1.875 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008742 487497728 /nfs/dbraw/zinc/49/77/28/487497728.db2.gz BRRKIUFQMCNSBC-CYBMUJFWSA-N 1 2 248.301 1.875 20 30 BDEDLO COCC#CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000677819314 488134351 /nfs/dbraw/zinc/13/43/51/488134351.db2.gz XRDCKRQWDZUCBE-UHFFFAOYSA-N 1 2 244.294 1.909 20 30 BDEDLO COCC#CC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000677819314 488134356 /nfs/dbraw/zinc/13/43/56/488134356.db2.gz XRDCKRQWDZUCBE-UHFFFAOYSA-N 1 2 244.294 1.909 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153380 488242415 /nfs/dbraw/zinc/24/24/15/488242415.db2.gz VVFZGNKPSUZEPD-VXGBXAGGSA-N 1 2 247.342 1.916 20 30 BDEDLO CC#CCCNC(=O)CCCn1cc[nH+]c1 ZINC000679383547 488348906 /nfs/dbraw/zinc/34/89/06/488348906.db2.gz UMFFPHKBTHJMSA-UHFFFAOYSA-N 1 2 219.288 1.193 20 30 BDEDLO C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000491786334 490118405 /nfs/dbraw/zinc/11/84/05/490118405.db2.gz OLJGNSUSKKPSLP-NSHDSACASA-N 1 2 231.299 1.458 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@H](C)CCC#N)o1 ZINC000595699334 490165172 /nfs/dbraw/zinc/16/51/72/490165172.db2.gz IUYAWUBIOVURKN-MRVPVSSYSA-N 1 2 208.265 1.502 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@H](C)CCC#N)o1 ZINC000595699334 490165177 /nfs/dbraw/zinc/16/51/77/490165177.db2.gz IUYAWUBIOVURKN-MRVPVSSYSA-N 1 2 208.265 1.502 20 30 BDEDLO Cc1ccnc(NCc2c[nH+]cn2C)c1C#N ZINC000291255305 491089002 /nfs/dbraw/zinc/08/90/02/491089002.db2.gz YQNJKXGIVXGRMY-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C=C(C)[C@@H](CO)Sc1nc(N)cc(CC)[nH+]1 ZINC000309239224 491146548 /nfs/dbraw/zinc/14/65/48/491146548.db2.gz ADBMCGIKSDBOSJ-SECBINFHSA-N 1 2 239.344 1.650 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000890553423 582475201 /nfs/dbraw/zinc/47/52/01/582475201.db2.gz ZYTPYUVUMMRICA-SNVBAGLBSA-N 1 2 219.288 1.140 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000891542171 582696182 /nfs/dbraw/zinc/69/61/82/582696182.db2.gz JZTJNDYVTBJOQK-SECBINFHSA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000891542171 582696185 /nfs/dbraw/zinc/69/61/85/582696185.db2.gz JZTJNDYVTBJOQK-SECBINFHSA-N 1 2 222.313 1.840 20 30 BDEDLO CCn1cc(C[N@H+](CC)CCC#N)c(C)n1 ZINC000891577661 582698243 /nfs/dbraw/zinc/69/82/43/582698243.db2.gz DUBFCTAEZHBMOX-UHFFFAOYSA-N 1 2 220.320 1.947 20 30 BDEDLO CCn1cc(C[N@@H+](CC)CCC#N)c(C)n1 ZINC000891577661 582698246 /nfs/dbraw/zinc/69/82/46/582698246.db2.gz DUBFCTAEZHBMOX-UHFFFAOYSA-N 1 2 220.320 1.947 20 30 BDEDLO C=CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338199378 534331227 /nfs/dbraw/zinc/33/12/27/534331227.db2.gz XHEUPRPCNYAJAY-NSHDSACASA-N 1 2 240.347 1.178 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338289241 534392488 /nfs/dbraw/zinc/39/24/88/534392488.db2.gz ORFTWWYYZJKLEA-GFCCVEGCSA-N 1 2 223.316 1.633 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338289241 534392501 /nfs/dbraw/zinc/39/25/01/534392501.db2.gz ORFTWWYYZJKLEA-GFCCVEGCSA-N 1 2 223.316 1.633 20 30 BDEDLO C=C(CC)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000336086939 534398083 /nfs/dbraw/zinc/39/80/83/534398083.db2.gz KRPRCUSTXUGLKG-JTQLQIEISA-N 1 2 206.293 1.621 20 30 BDEDLO C=C(CC)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000336086939 534398089 /nfs/dbraw/zinc/39/80/89/534398089.db2.gz KRPRCUSTXUGLKG-JTQLQIEISA-N 1 2 206.293 1.621 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369295935 534440815 /nfs/dbraw/zinc/44/08/15/534440815.db2.gz ZMOHLYGVKCTQPD-GHMZBOCLSA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369295935 534440824 /nfs/dbraw/zinc/44/08/24/534440824.db2.gz ZMOHLYGVKCTQPD-GHMZBOCLSA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373797319 534443732 /nfs/dbraw/zinc/44/37/32/534443732.db2.gz NRSGWWBGGFMFJU-MNOVXSKESA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373797319 534443736 /nfs/dbraw/zinc/44/37/36/534443736.db2.gz NRSGWWBGGFMFJU-MNOVXSKESA-N 1 2 231.723 1.619 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336025323 534649853 /nfs/dbraw/zinc/64/98/53/534649853.db2.gz GYOTWWQQSDTNIP-IUCAKERBSA-N 1 2 234.303 1.141 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336025323 534649858 /nfs/dbraw/zinc/64/98/58/534649858.db2.gz GYOTWWQQSDTNIP-IUCAKERBSA-N 1 2 234.303 1.141 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC000339167511 534689347 /nfs/dbraw/zinc/68/93/47/534689347.db2.gz WZQZCPMORIAANA-LBPRGKRZSA-N 1 2 247.342 1.920 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@@H]1C(=O)OCC ZINC000116325059 534709140 /nfs/dbraw/zinc/70/91/40/534709140.db2.gz ICSNCJBTVAHZJG-LLVKDONJSA-N 1 2 209.289 1.427 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@@H]1C(=O)OCC ZINC000116325059 534709148 /nfs/dbraw/zinc/70/91/48/534709148.db2.gz ICSNCJBTVAHZJG-LLVKDONJSA-N 1 2 209.289 1.427 20 30 BDEDLO C=CCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357960644 534809389 /nfs/dbraw/zinc/80/93/89/534809389.db2.gz QPKOEJKSXUVGJS-UHFFFAOYSA-N 1 2 218.260 1.513 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C)c1nc(COC)no1 ZINC000121173833 534816616 /nfs/dbraw/zinc/81/66/16/534816616.db2.gz QRLGQYHITLZZCH-MRVPVSSYSA-N 1 2 211.265 1.395 20 30 BDEDLO C=CC[N@H+](C)[C@H](C)c1nc(COC)no1 ZINC000121173833 534816618 /nfs/dbraw/zinc/81/66/18/534816618.db2.gz QRLGQYHITLZZCH-MRVPVSSYSA-N 1 2 211.265 1.395 20 30 BDEDLO C=CCOCCC[N@@H+](C)Cc1noc(C)n1 ZINC000348052794 534873164 /nfs/dbraw/zinc/87/31/64/534873164.db2.gz UBSUVRZGPQONHK-UHFFFAOYSA-N 1 2 225.292 1.403 20 30 BDEDLO C=CCOCCC[N@H+](C)Cc1noc(C)n1 ZINC000348052794 534873168 /nfs/dbraw/zinc/87/31/68/534873168.db2.gz UBSUVRZGPQONHK-UHFFFAOYSA-N 1 2 225.292 1.403 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H](C)CC(C)C)C(=O)OC ZINC000361109130 534880695 /nfs/dbraw/zinc/88/06/95/534880695.db2.gz LSWRLRDZZOEENC-RYUDHWBXSA-N 1 2 243.347 1.755 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000340906573 534888410 /nfs/dbraw/zinc/88/84/10/534888410.db2.gz ZUEFAGAJHWPYGO-LLVKDONJSA-N 1 2 247.342 1.681 20 30 BDEDLO C=C(C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492946100 526448587 /nfs/dbraw/zinc/44/85/87/526448587.db2.gz ADCUXDDTVZDGGD-ONEGZZNKSA-N 1 2 205.261 1.505 20 30 BDEDLO C=C(C)CN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000479245548 526486150 /nfs/dbraw/zinc/48/61/50/526486150.db2.gz NWAOTXBINZAWJO-UHFFFAOYSA-N 1 2 243.310 1.911 20 30 BDEDLO C#CCNC(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000491046111 526972804 /nfs/dbraw/zinc/97/28/04/526972804.db2.gz OKRYGVIJERCVDD-UHFFFAOYSA-N 1 2 243.310 1.047 20 30 BDEDLO C=CC[C@H](CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858246 527142535 /nfs/dbraw/zinc/14/25/35/527142535.db2.gz FPBIZHFAUZUIFB-GFVADAIESA-N 1 2 219.288 1.894 20 30 BDEDLO C=CCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492810057 527201829 /nfs/dbraw/zinc/20/18/29/527201829.db2.gz HGWBBWXWAQNQCR-WAYWQWQTSA-N 1 2 205.261 1.505 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)NCCCn1cc[nH+]c1 ZINC000491803941 527253326 /nfs/dbraw/zinc/25/33/26/527253326.db2.gz KRUBQJXYQKDWKZ-LBPRGKRZSA-N 1 2 248.330 1.374 20 30 BDEDLO C=CCCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815516 527339496 /nfs/dbraw/zinc/33/94/96/527339496.db2.gz XKDMOZFJEFOTQO-PLNGDYQASA-N 1 2 235.287 1.132 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860784 527446160 /nfs/dbraw/zinc/44/61/60/527446160.db2.gz IPWVNBWXDROLRC-ZHRWSRJISA-N 1 2 231.299 1.990 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493546256 528613219 /nfs/dbraw/zinc/61/32/19/528613219.db2.gz DQWCFNMKRKVSOQ-LWTINBJPSA-N 1 2 232.287 1.431 20 30 BDEDLO CC[N@H+](C[C@H](O)C(F)(F)F)CC1(C#N)CC1 ZINC000494207396 528738153 /nfs/dbraw/zinc/73/81/53/528738153.db2.gz DCJQHAYIZUFEME-QMMMGPOBSA-N 1 2 236.237 1.535 20 30 BDEDLO CC[N@@H+](C[C@H](O)C(F)(F)F)CC1(C#N)CC1 ZINC000494207396 528738159 /nfs/dbraw/zinc/73/81/59/528738159.db2.gz DCJQHAYIZUFEME-QMMMGPOBSA-N 1 2 236.237 1.535 20 30 BDEDLO CC(C)N(CCC#N)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493108406 528879045 /nfs/dbraw/zinc/87/90/45/528879045.db2.gz SEBMHYDMKFRNNS-PLNGDYQASA-N 1 2 232.287 1.574 20 30 BDEDLO CC(C)[C@H]([NH2+]CC1(C#N)CC1)c1nncn1C ZINC000352469395 535121268 /nfs/dbraw/zinc/12/12/68/535121268.db2.gz XGFMLCLICCGMJH-JTQLQIEISA-N 1 2 233.319 1.406 20 30 BDEDLO CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)COC1 ZINC000330321616 535266120 /nfs/dbraw/zinc/26/61/20/535266120.db2.gz SFUBXKHNCDKWIR-SECBINFHSA-N 1 2 235.287 1.191 20 30 BDEDLO CC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334383171 535812669 /nfs/dbraw/zinc/81/26/69/535812669.db2.gz KWPSAPCEJYCDGW-MNOVXSKESA-N 1 2 210.321 1.771 20 30 BDEDLO CC[C@@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334383171 535812670 /nfs/dbraw/zinc/81/26/70/535812670.db2.gz KWPSAPCEJYCDGW-MNOVXSKESA-N 1 2 210.321 1.771 20 30 BDEDLO CCn1cc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000063095333 536045027 /nfs/dbraw/zinc/04/50/27/536045027.db2.gz DCGOCALMZWHGHF-SNVBAGLBSA-N 1 2 206.293 1.637 20 30 BDEDLO CCn1cc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000063095333 536045033 /nfs/dbraw/zinc/04/50/33/536045033.db2.gz DCGOCALMZWHGHF-SNVBAGLBSA-N 1 2 206.293 1.637 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000267594350 536299531 /nfs/dbraw/zinc/29/95/31/536299531.db2.gz JYOZRCWLSJVQPA-LBPRGKRZSA-N 1 2 222.263 1.705 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000267594350 536299536 /nfs/dbraw/zinc/29/95/36/536299536.db2.gz JYOZRCWLSJVQPA-LBPRGKRZSA-N 1 2 222.263 1.705 20 30 BDEDLO C=C[C@H](C)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892891269 583005918 /nfs/dbraw/zinc/00/59/18/583005918.db2.gz HSUUPUJQGISKTN-UWVGGRQHSA-N 1 2 236.319 1.646 20 30 BDEDLO C=C[C@H](C)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892891269 583005920 /nfs/dbraw/zinc/00/59/20/583005920.db2.gz HSUUPUJQGISKTN-UWVGGRQHSA-N 1 2 236.319 1.646 20 30 BDEDLO COCCOc1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000893545421 583161144 /nfs/dbraw/zinc/16/11/44/583161144.db2.gz SDZSZWQDTYFYCH-SNVBAGLBSA-N 1 2 238.287 1.554 20 30 BDEDLO Cn1ncc(C[NH2+]CCC#N)c1C1CC1 ZINC000894082422 583294076 /nfs/dbraw/zinc/29/40/76/583294076.db2.gz WMROUDWNPDORTM-UHFFFAOYSA-N 1 2 204.277 1.301 20 30 BDEDLO CC#CCn1nc(C)c([C@H]2COCC[N@@H+]2C)c1C ZINC000852962051 588714640 /nfs/dbraw/zinc/71/46/40/588714640.db2.gz BHCZREDMGNRQFD-CYBMUJFWSA-N 1 2 247.342 1.526 20 30 BDEDLO CC#CCn1nc(C)c([C@H]2COCC[N@H+]2C)c1C ZINC000852962051 588714641 /nfs/dbraw/zinc/71/46/41/588714641.db2.gz BHCZREDMGNRQFD-CYBMUJFWSA-N 1 2 247.342 1.526 20 30 BDEDLO C#Cc1cccnc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000853161925 588723091 /nfs/dbraw/zinc/72/30/91/588723091.db2.gz GFFJYVFQAYFSFU-LBPRGKRZSA-N 1 2 245.326 1.196 20 30 BDEDLO CCCCNN=Cc1c[nH+]c2n1CCC2 ZINC000853291137 588731300 /nfs/dbraw/zinc/73/13/00/588731300.db2.gz YQKLFFRTENIRKN-UHFFFAOYSA-N 1 2 206.293 1.553 20 30 BDEDLO Cc1[nH+]cc(C=NNC2CCCC2)n1C ZINC000853301548 588731379 /nfs/dbraw/zinc/73/13/79/588731379.db2.gz HIFOSMRXCJVNJP-UHFFFAOYSA-N 1 2 206.293 1.595 20 30 BDEDLO COc1cccc(N=NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000853331068 588733846 /nfs/dbraw/zinc/73/38/46/588733846.db2.gz FSZWUUTVKQNFGS-UHFFFAOYSA-N 1 2 245.286 1.876 20 30 BDEDLO Cc1[nH+]cc(C=NNC[C@H]2CCSC2)n1C ZINC000853346682 588736016 /nfs/dbraw/zinc/73/60/16/588736016.db2.gz JAJBXXPTOBOWQU-SNVBAGLBSA-N 1 2 238.360 1.405 20 30 BDEDLO c1cn(CCCNN=C2CO[C@@H](C3CC3)C2)c[nH+]1 ZINC000853370422 588738795 /nfs/dbraw/zinc/73/87/95/588738795.db2.gz MVOKAINNTKWGNV-CYBMUJFWSA-N 1 2 248.330 1.418 20 30 BDEDLO C#C[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000853659354 588752921 /nfs/dbraw/zinc/75/29/21/588752921.db2.gz DAAWYJPAGOJCHM-SNVBAGLBSA-N 1 2 231.299 1.070 20 30 BDEDLO COC(OC)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000853680420 588755470 /nfs/dbraw/zinc/75/54/70/588755470.db2.gz DVLFVSITGGEONZ-SECBINFHSA-N 1 2 235.287 1.103 20 30 BDEDLO C=C(C)CONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000854217432 588779694 /nfs/dbraw/zinc/77/96/94/588779694.db2.gz NIXIUKLSIADXRC-UHFFFAOYSA-N 1 2 224.264 1.059 20 30 BDEDLO C=C(C)CONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000854217432 588779695 /nfs/dbraw/zinc/77/96/95/588779695.db2.gz NIXIUKLSIADXRC-UHFFFAOYSA-N 1 2 224.264 1.059 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000854692742 588801916 /nfs/dbraw/zinc/80/19/16/588801916.db2.gz GOGCBTSRXMWOHN-AAEUAGOBSA-N 1 2 233.315 1.752 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000854697229 588802581 /nfs/dbraw/zinc/80/25/81/588802581.db2.gz XKBXVJLMXQYMFE-RISCZKNCSA-N 1 2 245.326 1.364 20 30 BDEDLO C=C(Br)C[NH2+]Cc1ccn(C)n1 ZINC000112837960 588818710 /nfs/dbraw/zinc/81/87/10/588818710.db2.gz JBVWFFXCGSXXTH-UHFFFAOYSA-N 1 2 230.109 1.418 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000890552688 582474787 /nfs/dbraw/zinc/47/47/87/582474787.db2.gz QSGSBCRXUWFHFL-NSHDSACASA-N 1 2 233.315 1.530 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC000890647591 582491739 /nfs/dbraw/zinc/49/17/39/582491739.db2.gz HDILRIBMXXIXLK-CYBMUJFWSA-N 1 2 245.326 1.678 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000890653570 582492987 /nfs/dbraw/zinc/49/29/87/582492987.db2.gz MUUSXDMKIHQXTM-GFCCVEGCSA-N 1 2 231.299 1.357 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000890653570 582492988 /nfs/dbraw/zinc/49/29/88/582492988.db2.gz MUUSXDMKIHQXTM-GFCCVEGCSA-N 1 2 231.299 1.357 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000890654695 582493567 /nfs/dbraw/zinc/49/35/67/582493567.db2.gz GKVUFYCJRRMCOF-STQMWFEESA-N 1 2 245.326 1.849 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000846546271 582656563 /nfs/dbraw/zinc/65/65/63/582656563.db2.gz AVUYVXLBMLDGIQ-ZJUUUORDSA-N 1 2 235.287 1.068 20 30 BDEDLO C#CCSCC(=O)NCc1c[nH+]c(C)cc1C ZINC000891371070 582673133 /nfs/dbraw/zinc/67/31/33/582673133.db2.gz UAVPECGWLSYDLD-UHFFFAOYSA-N 1 2 248.351 1.681 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cnc2n1CCOC2 ZINC000891448758 582687805 /nfs/dbraw/zinc/68/78/05/582687805.db2.gz CUEONPZQLYJQIV-UHFFFAOYSA-N 1 2 233.315 1.587 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nc(Br)c[nH]1 ZINC000891805257 582724632 /nfs/dbraw/zinc/72/46/32/582724632.db2.gz HBUPJGVBJFEYLQ-UHFFFAOYSA-N 1 2 242.120 1.627 20 30 BDEDLO C#CC[N@H+](CC)Cc1nc(Br)c[nH]1 ZINC000891805257 582724635 /nfs/dbraw/zinc/72/46/35/582724635.db2.gz HBUPJGVBJFEYLQ-UHFFFAOYSA-N 1 2 242.120 1.627 20 30 BDEDLO C=CCCONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000856036015 588857903 /nfs/dbraw/zinc/85/79/03/588857903.db2.gz RMUGHUBARVVZTJ-SECBINFHSA-N 1 2 235.287 1.139 20 30 BDEDLO C=CCCONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000856036015 588857904 /nfs/dbraw/zinc/85/79/04/588857904.db2.gz RMUGHUBARVVZTJ-SECBINFHSA-N 1 2 235.287 1.139 20 30 BDEDLO C=CCCONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000856036287 588858369 /nfs/dbraw/zinc/85/83/69/588858369.db2.gz YTSVFNTVWYJGJL-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856280609 588867008 /nfs/dbraw/zinc/86/70/08/588867008.db2.gz VDJUVFGTCPPBLF-JTQLQIEISA-N 1 2 219.288 1.257 20 30 BDEDLO CC[C@H](CO)Nc1cc(NCCCC#N)[nH+]cn1 ZINC000893129079 583053996 /nfs/dbraw/zinc/05/39/96/583053996.db2.gz WGIDINOABZYIKK-SNVBAGLBSA-N 1 2 249.318 1.375 20 30 BDEDLO CC[C@H](CO)Nc1cc(NCCCC#N)nc[nH+]1 ZINC000893129079 583053997 /nfs/dbraw/zinc/05/39/97/583053997.db2.gz WGIDINOABZYIKK-SNVBAGLBSA-N 1 2 249.318 1.375 20 30 BDEDLO Cc1cc(N2CC3(C2)CCOCC3)c(C#N)c[nH+]1 ZINC000893940983 583255221 /nfs/dbraw/zinc/25/52/21/583255221.db2.gz MKQFKVSCBSVCPI-UHFFFAOYSA-N 1 2 243.310 1.879 20 30 BDEDLO CC[C@@H](NC(=O)c1coc(C#N)c1)c1[nH]cc[nH+]1 ZINC000867459040 583352950 /nfs/dbraw/zinc/35/29/50/583352950.db2.gz QBRHBRPRQAEBFW-SNVBAGLBSA-N 1 2 244.254 1.755 20 30 BDEDLO Cc1ccnc(N)c1C[NH2+]C[C@H](C)C#N ZINC000894453709 583462407 /nfs/dbraw/zinc/46/24/07/583462407.db2.gz XDAAYTMLDVMCGZ-MRVPVSSYSA-N 1 2 204.277 1.222 20 30 BDEDLO Cn1nc2c(c1C[NH2+]CCC#N)CSCC2 ZINC000894581373 583488472 /nfs/dbraw/zinc/48/84/72/583488472.db2.gz PZRQBFKRNQXZLS-UHFFFAOYSA-N 1 2 236.344 1.213 20 30 BDEDLO Cc1c[nH]c(CNc2snc(C)c2C#N)[nH+]1 ZINC000894789436 583519550 /nfs/dbraw/zinc/51/95/50/583519550.db2.gz HBNWVTGYGXFAAZ-UHFFFAOYSA-N 1 2 233.300 1.967 20 30 BDEDLO C#CC[C@@H]1CCN(c2cccc([C@H](C)O)[nH+]2)C1 ZINC000895192058 583622035 /nfs/dbraw/zinc/62/20/35/583622035.db2.gz WYINVWSQJGSVDH-NWDGAFQWSA-N 1 2 230.311 1.985 20 30 BDEDLO CCn1cc(C[NH+]2CC(CC#N)C2)c(C)n1 ZINC000895344959 583655183 /nfs/dbraw/zinc/65/51/83/583655183.db2.gz UUJMDKOYJBSJGI-UHFFFAOYSA-N 1 2 218.304 1.557 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000883005389 583683382 /nfs/dbraw/zinc/68/33/82/583683382.db2.gz LXYFSHRITMLRLX-JQWIXIFHSA-N 1 2 236.315 1.874 20 30 BDEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000895743397 583715926 /nfs/dbraw/zinc/71/59/26/583715926.db2.gz HFKFDSSLLKEWHX-KKOKHZNYSA-N 1 2 241.331 1.243 20 30 BDEDLO C#CC[N@@H+](Cc1ccnn1CCC)C1CSC1 ZINC000895813754 583733688 /nfs/dbraw/zinc/73/36/88/583733688.db2.gz GLRAZLZBUILSFV-UHFFFAOYSA-N 1 2 249.383 1.844 20 30 BDEDLO C#CC[N@H+](Cc1ccnn1CCC)C1CSC1 ZINC000895813754 583733689 /nfs/dbraw/zinc/73/36/89/583733689.db2.gz GLRAZLZBUILSFV-UHFFFAOYSA-N 1 2 249.383 1.844 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982164 588928270 /nfs/dbraw/zinc/92/82/70/588928270.db2.gz NEKBENVPBRJRLU-JTQLQIEISA-N 1 2 231.299 1.494 20 30 BDEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@H](C#N)C1)CCC2 ZINC000896500751 583807004 /nfs/dbraw/zinc/80/70/04/583807004.db2.gz JYDKACIUAIEMDP-LLVKDONJSA-N 1 2 244.342 1.644 20 30 BDEDLO Cn1nc2c(c1C[N@H+]1CCC[C@H](C#N)C1)CCC2 ZINC000896500751 583807006 /nfs/dbraw/zinc/80/70/06/583807006.db2.gz JYDKACIUAIEMDP-LLVKDONJSA-N 1 2 244.342 1.644 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000896500439 583807112 /nfs/dbraw/zinc/80/71/12/583807112.db2.gz FDVHNTTVSNSDFB-NSHDSACASA-N 1 2 230.315 1.565 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000896500439 583807113 /nfs/dbraw/zinc/80/71/13/583807113.db2.gz FDVHNTTVSNSDFB-NSHDSACASA-N 1 2 230.315 1.565 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000897167971 583886992 /nfs/dbraw/zinc/88/69/92/583886992.db2.gz YPHFYTIVLPAMRX-VIFPVBQESA-N 1 2 224.329 1.652 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000897167971 583886993 /nfs/dbraw/zinc/88/69/93/583886993.db2.gz YPHFYTIVLPAMRX-VIFPVBQESA-N 1 2 224.329 1.652 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000145423731 583931907 /nfs/dbraw/zinc/93/19/07/583931907.db2.gz ZBVZGGSEWSPXAE-UHFFFAOYSA-N 1 2 236.359 1.590 20 30 BDEDLO Cc1ccnc(N)c1C=[NH+]NCC(F)(F)F ZINC000872366692 583949395 /nfs/dbraw/zinc/94/93/95/583949395.db2.gz IAQJKCWSRQMYPY-UHFFFAOYSA-N 1 2 232.209 1.458 20 30 BDEDLO C=C(Cl)C[NH+](CCOC)CCOC ZINC000302741662 583959447 /nfs/dbraw/zinc/95/94/47/583959447.db2.gz QGRWDEJBDCUXLE-UHFFFAOYSA-N 1 2 207.701 1.334 20 30 BDEDLO O=C1C=C([NH2+]Nc2ccccc2F)[C@H]2CCCN12 ZINC000799476470 583960630 /nfs/dbraw/zinc/96/06/30/583960630.db2.gz JQFMNVUUCARRES-GFCCVEGCSA-N 1 2 247.273 1.988 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN1CCO[C@@](C)(C#N)C1 ZINC000897586475 584021900 /nfs/dbraw/zinc/02/19/00/584021900.db2.gz OJFXZYBNDCVPLW-ZDUSSCGKSA-N 1 2 246.314 1.087 20 30 BDEDLO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000897834071 584052888 /nfs/dbraw/zinc/05/28/88/584052888.db2.gz GUDRMRMREXJFSI-HBNTYKKESA-N 1 2 224.304 1.610 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000858465938 588957276 /nfs/dbraw/zinc/95/72/76/588957276.db2.gz QWCBUYPTRFLCCK-LLVKDONJSA-N 1 2 248.330 1.528 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000730094812 584123055 /nfs/dbraw/zinc/12/30/55/584123055.db2.gz QEOQTFWXZJJZLQ-ZDUSSCGKSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000730094812 584123056 /nfs/dbraw/zinc/12/30/56/584123056.db2.gz QEOQTFWXZJJZLQ-ZDUSSCGKSA-N 1 2 246.285 1.862 20 30 BDEDLO C=CCCn1cc(C[NH2+]C/C=C\Cl)nn1 ZINC000898429505 584133481 /nfs/dbraw/zinc/13/34/81/584133481.db2.gz OTFGVLKQIMRIGN-PLNGDYQASA-N 1 2 226.711 1.696 20 30 BDEDLO C=C1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000898705990 584153231 /nfs/dbraw/zinc/15/32/31/584153231.db2.gz ROARQEVJLNHVRY-LBPRGKRZSA-N 1 2 233.315 1.869 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2cc(CO)on2)c1 ZINC000899377955 584208383 /nfs/dbraw/zinc/20/83/83/584208383.db2.gz KJMUDSMAMWXFOA-ONEGZZNKSA-N 1 2 247.254 1.279 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000899900450 584249788 /nfs/dbraw/zinc/24/97/88/584249788.db2.gz QWKFVJKUXJDHGV-GFCCVEGCSA-N 1 2 219.284 1.298 20 30 BDEDLO N#CC1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900435727 584310755 /nfs/dbraw/zinc/31/07/55/584310755.db2.gz DILWDNUQCUFJDL-UHFFFAOYSA-N 1 2 244.298 1.256 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000900637435 584334771 /nfs/dbraw/zinc/33/47/71/584334771.db2.gz DTPGGMNRPIBSOJ-NSHDSACASA-N 1 2 244.298 1.464 20 30 BDEDLO C#CCCCCNC(=O)c1ccc(C)[nH+]c1NC ZINC000901036212 584376440 /nfs/dbraw/zinc/37/64/40/584376440.db2.gz WZGZLZOYOQYKKT-UHFFFAOYSA-N 1 2 245.326 1.965 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1ccc(C)[nH+]c1NC ZINC000901021103 584377552 /nfs/dbraw/zinc/37/75/52/584377552.db2.gz YHLBIYQBZXMGSI-MRVPVSSYSA-N 1 2 219.288 1.736 20 30 BDEDLO Cc1cc(C=NN[C@@H](C)CO)c2c([nH+]1)CCCC2 ZINC000901193671 584396910 /nfs/dbraw/zinc/39/69/10/584396910.db2.gz ADGBOXRZZAIFCS-NSHDSACASA-N 1 2 247.342 1.573 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000901196524 584397674 /nfs/dbraw/zinc/39/76/74/584397674.db2.gz ASGVQSUOFBZKFO-VIFPVBQESA-N 1 2 232.287 1.103 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2cccc(OC)n2)c1 ZINC000901216040 584401438 /nfs/dbraw/zinc/40/14/38/584401438.db2.gz NSHRNKIAWKEYQL-UHFFFAOYSA-N 1 2 245.286 1.753 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccnn1C1CCC1 ZINC000901236065 584405326 /nfs/dbraw/zinc/40/53/26/584405326.db2.gz MGOFLBSGUOSMBQ-UHFFFAOYSA-N 1 2 244.302 1.788 20 30 BDEDLO C[C@@H](C=[NH+]n1nnc2c1CCCC2)CCC#N ZINC000901330945 584424495 /nfs/dbraw/zinc/42/44/95/584424495.db2.gz FRPWVPGEOKVAOT-SNVBAGLBSA-N 1 2 231.303 1.931 20 30 BDEDLO CSC1(C=[NH+]n2nnc3c2CCCC3)CC1 ZINC000901330931 584424657 /nfs/dbraw/zinc/42/46/57/584424657.db2.gz FESWSRDGYBGXQF-UHFFFAOYSA-N 1 2 236.344 1.886 20 30 BDEDLO CC(C)n1cc(C(=O)/C=C/c2[nH]cc[nH+]2)nn1 ZINC000901524765 584458544 /nfs/dbraw/zinc/45/85/44/584458544.db2.gz NPFHJGYJCUNZAU-ONEGZZNKSA-N 1 2 231.259 1.478 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cn(C)nn1 ZINC000901515226 584461695 /nfs/dbraw/zinc/46/16/95/584461695.db2.gz ACISVHAUQALSMJ-PLNGDYQASA-N 1 2 245.286 1.489 20 30 BDEDLO Cc1cc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)nn1C ZINC000901555660 584462578 /nfs/dbraw/zinc/46/25/78/584462578.db2.gz XTHYXOYQCQRKEY-AATRIKPKSA-N 1 2 244.298 1.965 20 30 BDEDLO CCCn1cc(C(=O)/C=C\c2c[nH+]cn2C)nn1 ZINC000901581197 584467278 /nfs/dbraw/zinc/46/72/78/584467278.db2.gz IRCARIBYLCZNAM-PLNGDYQASA-N 1 2 245.286 1.318 20 30 BDEDLO C=CC[N@@H+](C)CN1CCN(C2CCCC2)C1=O ZINC000902228632 584541647 /nfs/dbraw/zinc/54/16/47/584541647.db2.gz LFVPSCVCNJQOCG-UHFFFAOYSA-N 1 2 237.347 1.742 20 30 BDEDLO C=CC[N@H+](C)CN1CCN(C2CCCC2)C1=O ZINC000902228632 584541649 /nfs/dbraw/zinc/54/16/49/584541649.db2.gz LFVPSCVCNJQOCG-UHFFFAOYSA-N 1 2 237.347 1.742 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902999801 584715458 /nfs/dbraw/zinc/71/54/58/584715458.db2.gz ZACWCYUIVLKDQW-LLVKDONJSA-N 1 2 241.310 1.182 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902999801 584715460 /nfs/dbraw/zinc/71/54/60/584715460.db2.gz ZACWCYUIVLKDQW-LLVKDONJSA-N 1 2 241.310 1.182 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cn(C)nn1 ZINC000903035541 584719114 /nfs/dbraw/zinc/71/91/14/584719114.db2.gz QVKMYNGIIZSBRE-SECBINFHSA-N 1 2 219.292 1.160 20 30 BDEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1nccn1C ZINC000903106852 584728463 /nfs/dbraw/zinc/72/84/63/584728463.db2.gz WUGBDXOCXPICSG-JTQLQIEISA-N 1 2 218.304 1.765 20 30 BDEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1nccn1C ZINC000903106853 584728700 /nfs/dbraw/zinc/72/87/00/584728700.db2.gz WUGBDXOCXPICSG-SNVBAGLBSA-N 1 2 218.304 1.765 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(CO)ccc1F ZINC000859153388 589009974 /nfs/dbraw/zinc/00/99/74/589009974.db2.gz RWOMRMPBRHZAMK-UHFFFAOYSA-N 1 2 231.270 1.386 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000904212348 584854659 /nfs/dbraw/zinc/85/46/59/584854659.db2.gz PIAMNSDDZBGZSS-SNVBAGLBSA-N 1 2 237.303 1.463 20 30 BDEDLO O=[N+]([O-])c1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000731151242 584922494 /nfs/dbraw/zinc/92/24/94/584922494.db2.gz JTWNGRIOZCAVPJ-UHFFFAOYSA-N 1 2 232.203 1.159 20 30 BDEDLO N#Cc1cccnc1-n1c[nH+]c(CCCO)c1 ZINC000731902942 584931091 /nfs/dbraw/zinc/93/10/91/584931091.db2.gz RNBDTHMQDIJJHH-UHFFFAOYSA-N 1 2 228.255 1.064 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1nccnc1Cl ZINC000733080242 584942991 /nfs/dbraw/zinc/94/29/91/584942991.db2.gz HUGTXLSYPYILBB-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO C=CC[N@@H+](CCS(=O)(=O)CC)C(C)C ZINC000735671611 584980771 /nfs/dbraw/zinc/98/07/71/584980771.db2.gz UZQSJQKMGBAMLL-UHFFFAOYSA-N 1 2 219.350 1.318 20 30 BDEDLO C=CC[N@H+](CCS(=O)(=O)CC)C(C)C ZINC000735671611 584980772 /nfs/dbraw/zinc/98/07/72/584980772.db2.gz UZQSJQKMGBAMLL-UHFFFAOYSA-N 1 2 219.350 1.318 20 30 BDEDLO C=CCNC(=S)N[C@@H](C)c1[nH+]ccn1CC ZINC000840810527 585050031 /nfs/dbraw/zinc/05/00/31/585050031.db2.gz PZNKUVOWMZBOPD-VIFPVBQESA-N 1 2 238.360 1.614 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@H](C)CC)C(=O)OC ZINC000839167086 585095287 /nfs/dbraw/zinc/09/52/87/585095287.db2.gz CJQSYEWWWHVEFG-MXWKQRLJSA-N 1 2 211.305 1.576 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCCC12CCC2)C(=O)OC ZINC000839167516 585095296 /nfs/dbraw/zinc/09/52/96/585095296.db2.gz FSKYVLZUDNHFIK-NEPJUHHUSA-N 1 2 235.327 1.864 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(=O)OC ZINC000839170169 585095973 /nfs/dbraw/zinc/09/59/73/585095973.db2.gz XDAHWNWYBUSKHF-AVGNSLFASA-N 1 2 235.327 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H](C)CCC)C(=O)OC ZINC000839169907 585096078 /nfs/dbraw/zinc/09/60/78/585096078.db2.gz VDCLBQXYQHSRAH-WDEREUQCSA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@H](C)CCC)C(=O)OC ZINC000839169725 585096161 /nfs/dbraw/zinc/09/61/61/585096161.db2.gz VDCLBQXYQHSRAH-GHMZBOCLSA-N 1 2 211.305 1.577 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(OC)ccc1O ZINC000839188267 585097174 /nfs/dbraw/zinc/09/71/74/585097174.db2.gz BFPSAYDZSHVAOF-GFCCVEGCSA-N 1 2 247.294 1.235 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000839188267 585097175 /nfs/dbraw/zinc/09/71/75/585097175.db2.gz BFPSAYDZSHVAOF-GFCCVEGCSA-N 1 2 247.294 1.235 20 30 BDEDLO C=CCCOCC(=O)Nc1cccc2[nH+]ccn21 ZINC000741969530 585121220 /nfs/dbraw/zinc/12/12/20/585121220.db2.gz BESVFIBCIJZQAB-UHFFFAOYSA-N 1 2 245.282 1.866 20 30 BDEDLO C#CCCCNC(=O)NCCNc1cccc[nH+]1 ZINC000743692620 585138574 /nfs/dbraw/zinc/13/85/74/585138574.db2.gz OZXQUYOOAQCGMI-UHFFFAOYSA-N 1 2 246.314 1.206 20 30 BDEDLO N#CC[N@@H+](CCCCCCCO)C1CC1 ZINC000743843682 585140501 /nfs/dbraw/zinc/14/05/01/585140501.db2.gz CYFSOJWXHVLUJA-UHFFFAOYSA-N 1 2 210.321 1.917 20 30 BDEDLO N#CC[N@H+](CCCCCCCO)C1CC1 ZINC000743843682 585140502 /nfs/dbraw/zinc/14/05/02/585140502.db2.gz CYFSOJWXHVLUJA-UHFFFAOYSA-N 1 2 210.321 1.917 20 30 BDEDLO C#CCOCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000752741558 585249587 /nfs/dbraw/zinc/24/95/87/585249587.db2.gz QHDJXCUCEINILC-UHFFFAOYSA-N 1 2 247.298 1.470 20 30 BDEDLO C#C[C@H](CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000754389948 585284000 /nfs/dbraw/zinc/28/40/00/585284000.db2.gz HDVFXNFNUFGSDQ-SNVBAGLBSA-N 1 2 227.267 1.476 20 30 BDEDLO Cc1cc(C)nc(N=NCc2c[nH+]cn2C)n1 ZINC000755453663 585299648 /nfs/dbraw/zinc/29/96/48/585299648.db2.gz BEHXXTJPQKWZAA-UHFFFAOYSA-N 1 2 230.275 1.273 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000755464784 585300136 /nfs/dbraw/zinc/30/01/36/585300136.db2.gz BDZKNSFJGBRYJT-UHFFFAOYSA-N 1 2 245.242 1.774 20 30 BDEDLO c1[nH]c(CN=Nc2nncc3ccccc32)c[nH+]1 ZINC000755490805 585300838 /nfs/dbraw/zinc/30/08/38/585300838.db2.gz JPWMJBMQOFGSDS-UHFFFAOYSA-N 1 2 238.254 1.799 20 30 BDEDLO c1[nH]cc(CN=Nc2nncc3ccccc32)[nH+]1 ZINC000755490805 585300839 /nfs/dbraw/zinc/30/08/39/585300839.db2.gz JPWMJBMQOFGSDS-UHFFFAOYSA-N 1 2 238.254 1.799 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1cccc(C#N)c1 ZINC000755625895 585302453 /nfs/dbraw/zinc/30/24/53/585302453.db2.gz VPLPNFPBGPIYBS-UHFFFAOYSA-N 1 2 225.255 1.738 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1cncc(Cl)n1 ZINC000755640262 585302955 /nfs/dbraw/zinc/30/29/55/585302955.db2.gz MPQPNEBRGSLWGP-UHFFFAOYSA-N 1 2 236.666 1.608 20 30 BDEDLO Clc1cccnc1N=NCc1c[nH+]c[nH]1 ZINC000755654136 585303548 /nfs/dbraw/zinc/30/35/48/585303548.db2.gz GHZLWWNNYOOCFP-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO Clc1cccnc1N=NCc1c[nH]c[nH+]1 ZINC000755654136 585303549 /nfs/dbraw/zinc/30/35/49/585303549.db2.gz GHZLWWNNYOOCFP-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO C#CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000755839032 585308531 /nfs/dbraw/zinc/30/85/31/585308531.db2.gz YXZJVDCSZPTMLG-UHFFFAOYSA-N 1 2 203.245 1.453 20 30 BDEDLO C#CCOCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000755893907 585309428 /nfs/dbraw/zinc/30/94/28/585309428.db2.gz FFEOEVZDYWHEFA-UHFFFAOYSA-N 1 2 243.266 1.313 20 30 BDEDLO C#CCOCCC(=O)Nc1cc[nH+]cc1CC ZINC000755897884 585309566 /nfs/dbraw/zinc/30/95/66/585309566.db2.gz HPVWWUOVEHQTCQ-UHFFFAOYSA-N 1 2 232.283 1.044 20 30 BDEDLO C#CCCCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000758461466 585356131 /nfs/dbraw/zinc/35/61/31/585356131.db2.gz QCGMNAUCPVQFDZ-LBPRGKRZSA-N 1 2 248.330 1.374 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1ncccc1[N+](=O)[O-] ZINC000759205506 585365469 /nfs/dbraw/zinc/36/54/69/585365469.db2.gz OPZRXEQQIMSQMM-UHFFFAOYSA-N 1 2 246.230 1.169 20 30 BDEDLO C#CCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000760337276 585390420 /nfs/dbraw/zinc/39/04/20/585390420.db2.gz LSRXFJHTCHBNIR-UHFFFAOYSA-N 1 2 217.272 1.070 20 30 BDEDLO C#CCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000760353018 585391291 /nfs/dbraw/zinc/39/12/91/585391291.db2.gz CUBOEGAGNKXEFL-UHFFFAOYSA-N 1 2 223.301 1.516 20 30 BDEDLO N#CCCN1CC[NH+](C/C=C\Cl)CC1 ZINC000760945509 585402151 /nfs/dbraw/zinc/40/21/51/585402151.db2.gz ZCVWVBRUTJTUQX-IWQZZHSRSA-N 1 2 213.712 1.270 20 30 BDEDLO CCC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858032 585420691 /nfs/dbraw/zinc/42/06/91/585420691.db2.gz QVDBZUSPFDAAQL-UHFFFAOYSA-N 1 2 230.275 1.860 20 30 BDEDLO N#Cc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000763115024 585443358 /nfs/dbraw/zinc/44/33/58/585443358.db2.gz JTAMOOQAOMSZMU-UHFFFAOYSA-N 1 2 241.250 1.612 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702405 585452978 /nfs/dbraw/zinc/45/29/78/585452978.db2.gz YCCZQNSHCQHSQJ-NXEZZACHSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702405 585452979 /nfs/dbraw/zinc/45/29/79/585452979.db2.gz YCCZQNSHCQHSQJ-NXEZZACHSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702417 585453144 /nfs/dbraw/zinc/45/31/44/585453144.db2.gz YCCZQNSHCQHSQJ-VHSXEESVSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702417 585453145 /nfs/dbraw/zinc/45/31/45/585453145.db2.gz YCCZQNSHCQHSQJ-VHSXEESVSA-N 1 2 222.288 1.316 20 30 BDEDLO C#CCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765058486 585480245 /nfs/dbraw/zinc/48/02/45/585480245.db2.gz ZVMFKWVMVKIMCJ-UHFFFAOYSA-N 1 2 246.285 1.498 20 30 BDEDLO C#CCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765058486 585480246 /nfs/dbraw/zinc/48/02/46/585480246.db2.gz ZVMFKWVMVKIMCJ-UHFFFAOYSA-N 1 2 246.285 1.498 20 30 BDEDLO CC#CCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000765502736 585488472 /nfs/dbraw/zinc/48/84/72/585488472.db2.gz NHDOLAKTXZUWHY-UHFFFAOYSA-N 1 2 232.283 1.553 20 30 BDEDLO COC(=O)c1coc(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000766502046 585503610 /nfs/dbraw/zinc/50/36/10/585503610.db2.gz LFTWRFAXXINHKI-NSCUHMNNSA-N 1 2 246.222 1.685 20 30 BDEDLO N#Cc1c2c(cn(C[NH+]3CCCC3)c1=O)CCC2 ZINC000766612496 585504356 /nfs/dbraw/zinc/50/43/56/585504356.db2.gz XRWDTWYMJVRLGN-UHFFFAOYSA-N 1 2 243.310 1.262 20 30 BDEDLO COc1cccc(O)c1C[N@H+](C)C[C@H](C)C#N ZINC000768876658 585545360 /nfs/dbraw/zinc/54/53/60/585545360.db2.gz GIWXXVQJTHBKNT-SNVBAGLBSA-N 1 2 234.299 1.992 20 30 BDEDLO COc1cccc(O)c1C[N@@H+](C)C[C@H](C)C#N ZINC000768876658 585545361 /nfs/dbraw/zinc/54/53/61/585545361.db2.gz GIWXXVQJTHBKNT-SNVBAGLBSA-N 1 2 234.299 1.992 20 30 BDEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)C1SC=CC1=O ZINC000769797362 585563647 /nfs/dbraw/zinc/56/36/47/585563647.db2.gz CVDNQWPSVUNXBU-ZCFIWIBFSA-N 1 2 238.316 1.115 20 30 BDEDLO CC(N=NC1=[NH+]C[C@@H](C)N1)C1SC=CC1=O ZINC000769797362 585563648 /nfs/dbraw/zinc/56/36/48/585563648.db2.gz CVDNQWPSVUNXBU-ZCFIWIBFSA-N 1 2 238.316 1.115 20 30 BDEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000769907395 585566409 /nfs/dbraw/zinc/56/64/09/585566409.db2.gz HHQCWKWNMXARON-UHFFFAOYSA-N 1 2 248.301 1.315 20 30 BDEDLO C#CCNC(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000769907395 585566410 /nfs/dbraw/zinc/56/64/10/585566410.db2.gz HHQCWKWNMXARON-UHFFFAOYSA-N 1 2 248.301 1.315 20 30 BDEDLO CNC(=S)N[NH+]=C1CCCNc2ccccc21 ZINC000774309246 585656257 /nfs/dbraw/zinc/65/62/57/585656257.db2.gz JTRQNFHTSQJHQC-UHFFFAOYSA-N 1 2 248.355 1.690 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H]1CCC=CO1 ZINC000774876472 585668242 /nfs/dbraw/zinc/66/82/42/585668242.db2.gz AERGQRAEJADCKY-GFCCVEGCSA-N 1 2 224.304 1.541 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H]1CCC=CO1 ZINC000774876472 585668243 /nfs/dbraw/zinc/66/82/43/585668243.db2.gz AERGQRAEJADCKY-GFCCVEGCSA-N 1 2 224.304 1.541 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCO1 ZINC000775343244 585676067 /nfs/dbraw/zinc/67/60/67/585676067.db2.gz VPHJARCTSNLKHO-HUUCEWRRSA-N 1 2 240.306 1.829 20 30 BDEDLO COCC#CCO[NH+]=C(N)Cc1cccs1 ZINC000775682578 585683105 /nfs/dbraw/zinc/68/31/05/585683105.db2.gz ZCPISULIWDWFME-UHFFFAOYSA-N 1 2 238.312 1.439 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(C)o1)[C@H]1CCCO1 ZINC000775801972 585685576 /nfs/dbraw/zinc/68/55/76/585685576.db2.gz ZYHFZEFFFQQSIV-INTQDDNPSA-N 1 2 235.287 1.209 20 30 BDEDLO C#CCCN1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000776594032 585702403 /nfs/dbraw/zinc/70/24/03/585702403.db2.gz RPSFUVXKEXFFRH-AWEZNQCLSA-N 1 2 243.354 1.784 20 30 BDEDLO C#CCCCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000779754973 585761319 /nfs/dbraw/zinc/76/13/19/585761319.db2.gz RFOUIZXLXOQBMO-UHFFFAOYSA-N 1 2 247.342 1.962 20 30 BDEDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000780337066 585778088 /nfs/dbraw/zinc/77/80/88/585778088.db2.gz VKNBTSUDBJRDFL-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO N#Cc1ccc(N[NH+]=Cc2cnc(N)nc2)cc1 ZINC000781590200 585799992 /nfs/dbraw/zinc/79/99/92/585799992.db2.gz VLDHZJUPJZOKSA-UHFFFAOYSA-N 1 2 238.254 1.376 20 30 BDEDLO C=CCOCC(=O)OCCCn1cc[nH+]c1 ZINC000783501673 585835773 /nfs/dbraw/zinc/83/57/73/585835773.db2.gz GFNXVTWAHRTKSV-UHFFFAOYSA-N 1 2 224.260 1.019 20 30 BDEDLO Oc1cccc(/C=[NH+]/CC[C@H]2CCOC2)c1O ZINC000783685964 585840106 /nfs/dbraw/zinc/84/01/06/585840106.db2.gz SRDZUTIKNCNUJQ-CEITULEQSA-N 1 2 235.283 1.943 20 30 BDEDLO C=CC[N@H+](Cn1cc2[nH]cccc-2c1=O)C1CC1 ZINC000785507865 585874888 /nfs/dbraw/zinc/87/48/88/585874888.db2.gz WHXGAGINYWLKJQ-UHFFFAOYSA-N 1 2 243.310 1.645 20 30 BDEDLO C=CC[N@@H+](Cn1cc2[nH]cccc-2c1=O)C1CC1 ZINC000785507865 585874889 /nfs/dbraw/zinc/87/48/89/585874889.db2.gz WHXGAGINYWLKJQ-UHFFFAOYSA-N 1 2 243.310 1.645 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](CCCCCCCO)C1 ZINC000786435068 585891405 /nfs/dbraw/zinc/89/14/05/585891405.db2.gz BXKYAJQGWKZIDU-LBPRGKRZSA-N 1 2 228.311 1.867 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](CCCCCCCO)C1 ZINC000786435068 585891406 /nfs/dbraw/zinc/89/14/06/585891406.db2.gz BXKYAJQGWKZIDU-LBPRGKRZSA-N 1 2 228.311 1.867 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](CCCCCCO)C1 ZINC000786435112 585891423 /nfs/dbraw/zinc/89/14/23/585891423.db2.gz CIEUKGBIUIPGTO-LLVKDONJSA-N 1 2 214.284 1.477 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](CCCCCCO)C1 ZINC000786435112 585891424 /nfs/dbraw/zinc/89/14/24/585891424.db2.gz CIEUKGBIUIPGTO-LLVKDONJSA-N 1 2 214.284 1.477 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000787271264 585904438 /nfs/dbraw/zinc/90/44/38/585904438.db2.gz QQRJTDPBUFRRBH-NSHDSACASA-N 1 2 243.310 1.070 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(=C/C)CC)CC1 ZINC000788765932 585930224 /nfs/dbraw/zinc/93/02/24/585930224.db2.gz OUBVNYLHRRFWFZ-LFYBBSHMSA-N 1 2 220.316 1.120 20 30 BDEDLO Cc1cccnc1N=NCc1[nH]cc[nH+]1 ZINC000790184945 585960309 /nfs/dbraw/zinc/96/03/09/585960309.db2.gz DLMZIFNXENJWSY-UHFFFAOYSA-N 1 2 201.233 1.559 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1c(Cl)cnn1C ZINC000790300120 585962689 /nfs/dbraw/zinc/96/26/89/585962689.db2.gz RUUNLHLSVBBQSN-UHFFFAOYSA-N 1 2 238.682 1.253 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(O)c(O)c1 ZINC000790302100 585963135 /nfs/dbraw/zinc/96/31/35/585963135.db2.gz NKUGXLOHPUUCBP-UHFFFAOYSA-N 1 2 232.243 1.277 20 30 BDEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1O ZINC000790304127 585963458 /nfs/dbraw/zinc/96/34/58/585963458.db2.gz ZRJROPQLJNNAHH-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO C=CCCOCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791775243 585987585 /nfs/dbraw/zinc/98/75/85/585987585.db2.gz BBZSTUJTDKUCHE-UHFFFAOYSA-N 1 2 236.271 1.300 20 30 BDEDLO C#C[C@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000793855389 586027994 /nfs/dbraw/zinc/02/79/94/586027994.db2.gz HSIQQLZDAPTDTK-VIFPVBQESA-N 1 2 241.294 1.633 20 30 BDEDLO CN(C)c1ncc(C=[NH+]Nc2cncnc2)s1 ZINC000794975915 586060279 /nfs/dbraw/zinc/06/02/79/586060279.db2.gz AATXONIWHRIBII-UHFFFAOYSA-N 1 2 248.315 1.445 20 30 BDEDLO N#Cc1ccc(C(=O)OCCn2cc[nH+]c2)o1 ZINC000796153386 586098259 /nfs/dbraw/zinc/09/82/59/586098259.db2.gz QXIDAOMHOQURMJ-UHFFFAOYSA-N 1 2 231.211 1.205 20 30 BDEDLO N#CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799189889 586166299 /nfs/dbraw/zinc/16/62/99/586166299.db2.gz IFSLZLURLFEBHI-LLVKDONJSA-N 1 2 201.273 1.785 20 30 BDEDLO N#CCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799189889 586166300 /nfs/dbraw/zinc/16/63/00/586166300.db2.gz IFSLZLURLFEBHI-LLVKDONJSA-N 1 2 201.273 1.785 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cc(C)n(C)n1)[C@H]1CCCO1 ZINC000800490827 586222927 /nfs/dbraw/zinc/22/29/27/586222927.db2.gz ORHDUTKVMNTTOG-MBNYWOFBSA-N 1 2 247.342 1.560 20 30 BDEDLO CC(=NNCC(C)C)c1cn(C)c(C)[nH+]1 ZINC000800815296 586232137 /nfs/dbraw/zinc/23/21/37/586232137.db2.gz SHCIPSWILJDQIU-UHFFFAOYSA-N 1 2 208.309 1.698 20 30 BDEDLO CC(=NNCCOC(C)C)c1cn(C)c(C)[nH+]1 ZINC000800815576 586232251 /nfs/dbraw/zinc/23/22/51/586232251.db2.gz FTFKULQAQZRZNC-UHFFFAOYSA-N 1 2 238.335 1.467 20 30 BDEDLO C#CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859440337 589037002 /nfs/dbraw/zinc/03/70/02/589037002.db2.gz IZEHKPGOMDZKLJ-UHFFFAOYSA-N 1 2 229.327 1.765 20 30 BDEDLO C#CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859440337 589037004 /nfs/dbraw/zinc/03/70/04/589037004.db2.gz IZEHKPGOMDZKLJ-UHFFFAOYSA-N 1 2 229.327 1.765 20 30 BDEDLO C=CC[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000859445362 589037865 /nfs/dbraw/zinc/03/78/65/589037865.db2.gz HHOKQNNXDMBEOT-VIFPVBQESA-N 1 2 209.318 1.936 20 30 BDEDLO C=CC[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000859445362 589037867 /nfs/dbraw/zinc/03/78/67/589037867.db2.gz HHOKQNNXDMBEOT-VIFPVBQESA-N 1 2 209.318 1.936 20 30 BDEDLO CCC(CC)([NH2+]CCO[C@H](C)C#N)C(=O)OC ZINC000801941706 586280997 /nfs/dbraw/zinc/28/09/97/586280997.db2.gz UHVRKSZODZBDSF-SNVBAGLBSA-N 1 2 242.319 1.236 20 30 BDEDLO C[C@@H](C#N)OCCO[NH+]=C(N)COC(C)(C)C ZINC000802735313 586311668 /nfs/dbraw/zinc/31/16/68/586311668.db2.gz OCGUCXXDRFXWPL-VIFPVBQESA-N 1 2 243.307 1.229 20 30 BDEDLO CC(N=Nc1nc[nH]n1)c1cn2c([nH+]1)CCCC2 ZINC000807996216 586456624 /nfs/dbraw/zinc/45/66/24/586456624.db2.gz NRNPYTZZJZWUSM-UHFFFAOYSA-N 1 2 245.290 1.174 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000808180990 586467188 /nfs/dbraw/zinc/46/71/88/586467188.db2.gz UJUHWUGPJOXEFV-LBPRGKRZSA-N 1 2 210.321 1.710 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000808180990 586467187 /nfs/dbraw/zinc/46/71/87/586467187.db2.gz UJUHWUGPJOXEFV-LBPRGKRZSA-N 1 2 210.321 1.710 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000809571908 586507419 /nfs/dbraw/zinc/50/74/19/586507419.db2.gz DVDSJEYZWCRYLA-ZIAGYGMSSA-N 1 2 246.310 1.334 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000809571908 586507420 /nfs/dbraw/zinc/50/74/20/586507420.db2.gz DVDSJEYZWCRYLA-ZIAGYGMSSA-N 1 2 246.310 1.334 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(C)n1 ZINC000809996098 586529255 /nfs/dbraw/zinc/52/92/55/586529255.db2.gz SFBNDNXSDIPMDS-LLVKDONJSA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn(C)n1 ZINC000809996098 586529256 /nfs/dbraw/zinc/52/92/56/586529256.db2.gz SFBNDNXSDIPMDS-LLVKDONJSA-N 1 2 206.293 1.356 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cc(C)on1)[C@@H]1CCCO1 ZINC000810236806 586537646 /nfs/dbraw/zinc/53/76/46/586537646.db2.gz NQADTYSBSLQYNJ-MDZLAQPJSA-N 1 2 234.299 1.814 20 30 BDEDLO C#CCCCCCC(=O)NCc1c[nH+]cn1C ZINC000810755547 586546447 /nfs/dbraw/zinc/54/64/47/586546447.db2.gz UYEDMCFZGGLLKL-UHFFFAOYSA-N 1 2 233.315 1.620 20 30 BDEDLO C[C@H](CNc1ccnc(C#N)c1)Cn1cc[nH+]c1 ZINC000811737089 586566268 /nfs/dbraw/zinc/56/62/68/586566268.db2.gz YDVTYIXFZZWCNN-LLVKDONJSA-N 1 2 241.298 1.320 20 30 BDEDLO Cn1c[nH+]cc1CNc1cccc(CC#N)n1 ZINC000811845995 586567889 /nfs/dbraw/zinc/56/78/89/586567889.db2.gz JLHXIBIJTRYNIF-UHFFFAOYSA-N 1 2 227.271 1.493 20 30 BDEDLO C=CCN(C(=O)NCc1c[nH+]cn1C)C(C)C ZINC000812486910 586578110 /nfs/dbraw/zinc/57/81/10/586578110.db2.gz NAWCNPZCZSJINE-UHFFFAOYSA-N 1 2 236.319 1.526 20 30 BDEDLO C#CC1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000814261546 586620630 /nfs/dbraw/zinc/62/06/30/586620630.db2.gz BKWLWCKXQUMGFO-UHFFFAOYSA-N 1 2 243.310 1.365 20 30 BDEDLO Cn1ncc(C=[NH+]OCc2ccc(F)cc2)c1N ZINC000814903503 586647305 /nfs/dbraw/zinc/64/73/05/586647305.db2.gz MKORQPVRTOEXGN-UHFFFAOYSA-N 1 2 248.261 1.692 20 30 BDEDLO C=CCOCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000815121918 586667928 /nfs/dbraw/zinc/66/79/28/586667928.db2.gz ZYFBDBMGJKVDOY-JTQLQIEISA-N 1 2 227.304 1.215 20 30 BDEDLO C=CCOCC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000815121918 586667929 /nfs/dbraw/zinc/66/79/29/586667929.db2.gz ZYFBDBMGJKVDOY-JTQLQIEISA-N 1 2 227.304 1.215 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccc(F)nc2)nn1 ZINC000818224756 586880772 /nfs/dbraw/zinc/88/07/72/586880772.db2.gz QIOQGYHMFKCHOB-UHFFFAOYSA-N 1 2 247.277 1.288 20 30 BDEDLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]CCC#N ZINC000819083257 586929245 /nfs/dbraw/zinc/92/92/45/586929245.db2.gz YQJUHTBJMJMVPX-NSHDSACASA-N 1 2 216.288 1.666 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN1CCC[C@@H]1CO ZINC000819812577 586997362 /nfs/dbraw/zinc/99/73/62/586997362.db2.gz DSYKMCMGZFYFSD-LLVKDONJSA-N 1 2 236.319 1.255 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@@H]1CCCOC1 ZINC000819810169 586997368 /nfs/dbraw/zinc/99/73/68/586997368.db2.gz ZZXYXOPEGBFXFZ-LLVKDONJSA-N 1 2 236.319 1.567 20 30 BDEDLO COC[C@H](C)NN=Cc1c[nH+]cn1C(C)C ZINC000819813248 586997763 /nfs/dbraw/zinc/99/77/63/586997763.db2.gz UZVHDPRFJIHWON-JTQLQIEISA-N 1 2 224.308 1.422 20 30 BDEDLO C#C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000820401027 587046347 /nfs/dbraw/zinc/04/63/47/587046347.db2.gz UTHMERKVZWJJGG-IVZWLZJFSA-N 1 2 232.287 1.210 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000820435330 587048984 /nfs/dbraw/zinc/04/89/84/587048984.db2.gz IEJMSYVSNBEZPO-WDEREUQCSA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@H](CC)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000822406762 587166394 /nfs/dbraw/zinc/16/63/94/587166394.db2.gz KBHGXUINVOZVAX-GFCCVEGCSA-N 1 2 241.294 1.784 20 30 BDEDLO C#C[C@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)C(C)(C)C ZINC000822959625 587195349 /nfs/dbraw/zinc/19/53/49/587195349.db2.gz POMAFMIXEKLRPO-NSHDSACASA-N 1 2 247.342 1.679 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1Cc2cccnc2C1 ZINC000822995941 587197045 /nfs/dbraw/zinc/19/70/45/587197045.db2.gz CPZXKZQPGCNHTP-SNVBAGLBSA-N 1 2 217.272 1.326 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1Cc2cccnc2C1 ZINC000822995941 587197046 /nfs/dbraw/zinc/19/70/46/587197046.db2.gz CPZXKZQPGCNHTP-SNVBAGLBSA-N 1 2 217.272 1.326 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000823306461 587215522 /nfs/dbraw/zinc/21/55/22/587215522.db2.gz UGRJZFLCXCMLQI-UKRRQHHQSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000823304638 587215655 /nfs/dbraw/zinc/21/56/55/587215655.db2.gz AELZYBOEKGZMFQ-KBPBESRZSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000824036558 587250584 /nfs/dbraw/zinc/25/05/84/587250584.db2.gz OGXOGQWVICLLBN-VXGBXAGGSA-N 1 2 243.310 1.385 20 30 BDEDLO C#CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000824036558 587250585 /nfs/dbraw/zinc/25/05/85/587250585.db2.gz OGXOGQWVICLLBN-VXGBXAGGSA-N 1 2 243.310 1.385 20 30 BDEDLO CCn1nc(C)c(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000824130149 587257127 /nfs/dbraw/zinc/25/71/27/587257127.db2.gz FUBIDZKIUAXXQX-UHFFFAOYSA-N 1 2 247.346 1.732 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000825710602 587333712 /nfs/dbraw/zinc/33/37/12/587333712.db2.gz VMXOZEARPFRFNU-JTQLQIEISA-N 1 2 218.304 1.457 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000825710602 587333713 /nfs/dbraw/zinc/33/37/13/587333713.db2.gz VMXOZEARPFRFNU-JTQLQIEISA-N 1 2 218.304 1.457 20 30 BDEDLO N#Cc1cncc(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000825916094 587345463 /nfs/dbraw/zinc/34/54/63/587345463.db2.gz ANNNMZDQKNEOIE-SNVBAGLBSA-N 1 2 240.270 1.413 20 30 BDEDLO C#CC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000826710690 587359794 /nfs/dbraw/zinc/35/97/94/587359794.db2.gz PHXULVLMGXXOEG-UHFFFAOYSA-N 1 2 242.326 1.901 20 30 BDEDLO C#CC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000826710690 587359795 /nfs/dbraw/zinc/35/97/95/587359795.db2.gz PHXULVLMGXXOEG-UHFFFAOYSA-N 1 2 242.326 1.901 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000827049870 587368920 /nfs/dbraw/zinc/36/89/20/587368920.db2.gz ALOJHZJATSVVPD-BTDICHCPSA-N 1 2 245.326 1.858 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000827056793 587369387 /nfs/dbraw/zinc/36/93/87/587369387.db2.gz SCVGYCUJBAPPPA-FYJFLYSWSA-N 1 2 243.310 1.305 20 30 BDEDLO C#Cc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC000827270205 587374616 /nfs/dbraw/zinc/37/46/16/587374616.db2.gz RYUYKBOFOAGNNI-UHFFFAOYSA-N 1 2 227.271 1.157 20 30 BDEDLO CC(C)C#CC(=O)NCCCNc1cccc[nH+]1 ZINC000828149821 587421971 /nfs/dbraw/zinc/42/19/71/587421971.db2.gz OLMSPOQXERWXBZ-UHFFFAOYSA-N 1 2 245.326 1.659 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000828621501 587454512 /nfs/dbraw/zinc/45/45/12/587454512.db2.gz LUEIUCIQUIYNHV-OLZOCXBDSA-N 1 2 223.316 1.137 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000828621501 587454513 /nfs/dbraw/zinc/45/45/13/587454513.db2.gz LUEIUCIQUIYNHV-OLZOCXBDSA-N 1 2 223.316 1.137 20 30 BDEDLO C#CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000828995426 587478114 /nfs/dbraw/zinc/47/81/14/587478114.db2.gz QICUGLDCLOVEMF-GHMZBOCLSA-N 1 2 231.299 1.053 20 30 BDEDLO C#CC[N@@H+](CC[S@](C)=O)Cc1ccccc1 ZINC000829767860 587514521 /nfs/dbraw/zinc/51/45/21/587514521.db2.gz FWRDQPMCZXHCJZ-INIZCTEOSA-N 1 2 235.352 1.500 20 30 BDEDLO C#CC[N@H+](CC[S@](C)=O)Cc1ccccc1 ZINC000829767860 587514522 /nfs/dbraw/zinc/51/45/22/587514522.db2.gz FWRDQPMCZXHCJZ-INIZCTEOSA-N 1 2 235.352 1.500 20 30 BDEDLO C#CC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000830345716 587546576 /nfs/dbraw/zinc/54/65/76/587546576.db2.gz PAXJDLOISKIZBF-VIFPVBQESA-N 1 2 219.288 1.784 20 30 BDEDLO C#CC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000831594812 587622275 /nfs/dbraw/zinc/62/22/75/587622275.db2.gz XXTIDAUDIYLDBP-UHFFFAOYSA-N 1 2 243.310 1.689 20 30 BDEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000832221832 587651186 /nfs/dbraw/zinc/65/11/86/587651186.db2.gz DFCOTQPZJRJFHH-VXGBXAGGSA-N 1 2 243.310 1.148 20 30 BDEDLO C=CCC[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000834663600 587763454 /nfs/dbraw/zinc/76/34/54/587763454.db2.gz IOISBKVLNKBIAP-CYBMUJFWSA-N 1 2 232.283 1.899 20 30 BDEDLO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(N)nc1 ZINC000834998956 587776592 /nfs/dbraw/zinc/77/65/92/587776592.db2.gz OPKDCENYRPKMRC-ZETCQYMHSA-N 1 2 246.236 1.928 20 30 BDEDLO CC[C@H]1C[C@@H](C=[NH+]n2ccnn2)CCO1 ZINC000835010523 587777534 /nfs/dbraw/zinc/77/75/34/587777534.db2.gz BOBHKCKPRXHNBP-UWVGGRQHSA-N 1 2 208.265 1.317 20 30 BDEDLO CCC1(C=[NH+]n2ccnn2)CCOCC1 ZINC000835011325 587777723 /nfs/dbraw/zinc/77/77/23/587777723.db2.gz LQKHTDVSOLMHIN-UHFFFAOYSA-N 1 2 208.265 1.319 20 30 BDEDLO CC(C)(C)C#CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000837420422 587871612 /nfs/dbraw/zinc/87/16/12/587871612.db2.gz QNPXRQHHAZTRBX-UHFFFAOYSA-N 1 2 231.299 1.316 20 30 BDEDLO C=CCOCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000842033638 587991803 /nfs/dbraw/zinc/99/18/03/587991803.db2.gz TUJZYBUUSKDABO-LLVKDONJSA-N 1 2 244.335 1.749 20 30 BDEDLO N#CC1(CO[NH+]=C(N)Cc2cccnc2)CCC1 ZINC000842037122 587991893 /nfs/dbraw/zinc/99/18/93/587991893.db2.gz VOTOWRSKXLSIKZ-UHFFFAOYSA-N 1 2 244.298 1.816 20 30 BDEDLO C=C(C)CCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655533 588050255 /nfs/dbraw/zinc/05/02/55/588050255.db2.gz FVZIMTDSFPMQBF-LLVKDONJSA-N 1 2 242.319 1.647 20 30 BDEDLO C=C(C)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842659013 588050405 /nfs/dbraw/zinc/05/04/05/588050405.db2.gz VOZNGGZFDJRPEO-SNVBAGLBSA-N 1 2 228.292 1.257 20 30 BDEDLO C=CCCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842659850 588050942 /nfs/dbraw/zinc/05/09/42/588050942.db2.gz WWJJBVOOROXBPM-LLVKDONJSA-N 1 2 242.319 1.504 20 30 BDEDLO C#CCN(CC#C)Cc1cc(OC(C)C)cc[nH+]1 ZINC000844299422 588182043 /nfs/dbraw/zinc/18/20/43/588182043.db2.gz DEHCXAZJXDXBFA-UHFFFAOYSA-N 1 2 242.322 1.937 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844304817 588182111 /nfs/dbraw/zinc/18/21/11/588182111.db2.gz WWNJYVSHFILLBN-KOLCDFICSA-N 1 2 237.303 1.204 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844304817 588182113 /nfs/dbraw/zinc/18/21/13/588182113.db2.gz WWNJYVSHFILLBN-KOLCDFICSA-N 1 2 237.303 1.204 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)[C@H]1CCCO1 ZINC000844323040 588184033 /nfs/dbraw/zinc/18/40/33/588184033.db2.gz STKZIQVFXPGFOI-ZIAGYGMSSA-N 1 2 245.326 1.100 20 30 BDEDLO C/C=C(\CC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844528816 588200710 /nfs/dbraw/zinc/20/07/10/588200710.db2.gz ZHMWNJYKNBVNPO-JXPAYYINSA-N 1 2 223.320 1.303 20 30 BDEDLO C=C[C@@H](C)ONC(=O)Nc1cc(C)[nH+]cc1C ZINC000844595772 588206951 /nfs/dbraw/zinc/20/69/51/588206951.db2.gz FAZMKCOMWNVDDE-SNVBAGLBSA-N 1 2 235.287 1.748 20 30 BDEDLO C=C(C)CON=CC(C)(C)[NH+]1CCOCC1 ZINC000844619683 588208929 /nfs/dbraw/zinc/20/89/29/588208929.db2.gz JGMCZBCILSAAMT-UHFFFAOYSA-N 1 2 226.320 1.676 20 30 BDEDLO C[C@H](CC#N)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845468516 588229733 /nfs/dbraw/zinc/22/97/33/588229733.db2.gz MWBDJNLATXZWDL-NXEZZACHSA-N 1 2 221.260 1.680 20 30 BDEDLO C#CCOCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845490312 588230437 /nfs/dbraw/zinc/23/04/37/588230437.db2.gz NVZJPMTYTGWGEB-NSHDSACASA-N 1 2 236.271 1.027 20 30 BDEDLO C#C[C@@H](CC)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845516238 588231565 /nfs/dbraw/zinc/23/15/65/588231565.db2.gz GQOJBIMMVASKIC-LBPRGKRZSA-N 1 2 246.310 1.717 20 30 BDEDLO CCN1C[C@@H](C[N@H+](C)CC(C)(C)C#N)OC1=O ZINC000846924884 588297225 /nfs/dbraw/zinc/29/72/25/588297225.db2.gz HKQTUPQVNDHCNC-SNVBAGLBSA-N 1 2 239.319 1.309 20 30 BDEDLO CCN1C[C@@H](C[N@@H+](C)CC(C)(C)C#N)OC1=O ZINC000846924884 588297226 /nfs/dbraw/zinc/29/72/26/588297226.db2.gz HKQTUPQVNDHCNC-SNVBAGLBSA-N 1 2 239.319 1.309 20 30 BDEDLO CCCCCCNC(=O)C[NH2+][C@@H](CC)CC#N ZINC000846992870 588300769 /nfs/dbraw/zinc/30/07/69/588300769.db2.gz LSLBFUHBAMYWSO-LBPRGKRZSA-N 1 2 239.363 1.965 20 30 BDEDLO CCCS(=O)(=O)CC[NH2+][C@@H](CC)CC#N ZINC000846994239 588301080 /nfs/dbraw/zinc/30/10/80/588301080.db2.gz PHJFADLJZJLWOC-JTQLQIEISA-N 1 2 232.349 1.093 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000847018351 588301962 /nfs/dbraw/zinc/30/19/62/588301962.db2.gz JPVVGXMKTDGCKS-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000847018351 588301963 /nfs/dbraw/zinc/30/19/63/588301963.db2.gz JPVVGXMKTDGCKS-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncnn2CC(C)C)C1 ZINC000847021727 588302481 /nfs/dbraw/zinc/30/24/81/588302481.db2.gz OCRNRSVAEHDWLC-CYBMUJFWSA-N 1 2 246.358 1.779 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2ncnn2CC(C)C)C1 ZINC000847021727 588302482 /nfs/dbraw/zinc/30/24/82/588302482.db2.gz OCRNRSVAEHDWLC-CYBMUJFWSA-N 1 2 246.358 1.779 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ncnn2CC(C)C)C1 ZINC000847021728 588302554 /nfs/dbraw/zinc/30/25/54/588302554.db2.gz OCRNRSVAEHDWLC-ZDUSSCGKSA-N 1 2 246.358 1.779 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ncnn2CC(C)C)C1 ZINC000847021728 588302555 /nfs/dbraw/zinc/30/25/55/588302555.db2.gz OCRNRSVAEHDWLC-ZDUSSCGKSA-N 1 2 246.358 1.779 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000847024840 588303588 /nfs/dbraw/zinc/30/35/88/588303588.db2.gz TYJUZNATLFCHFG-SNVBAGLBSA-N 1 2 219.288 1.477 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000847024840 588303589 /nfs/dbraw/zinc/30/35/89/588303589.db2.gz TYJUZNATLFCHFG-SNVBAGLBSA-N 1 2 219.288 1.477 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000106927620 588316535 /nfs/dbraw/zinc/31/65/35/588316535.db2.gz XFEMQESPLTXVEG-UHFFFAOYSA-N 1 2 246.354 1.654 20 30 BDEDLO C[C@@H]1COCCC1=NNCCCn1cc[nH+]c1 ZINC000848417230 588381434 /nfs/dbraw/zinc/38/14/34/588381434.db2.gz QGZSHYAHCXNFIT-LLVKDONJSA-N 1 2 236.319 1.275 20 30 BDEDLO C[C@H]1CC(N=NCCCn2cc[nH+]c2)CCO1 ZINC000848418856 588382278 /nfs/dbraw/zinc/38/22/78/588382278.db2.gz QFXKPPAZLVDVNZ-NSHDSACASA-N 1 2 236.319 1.418 20 30 BDEDLO Cc1ccc(C=NNCCCn2cc[nH+]c2)nc1 ZINC000848419532 588382968 /nfs/dbraw/zinc/38/29/68/588382968.db2.gz YPADEGBTSCSJRB-UHFFFAOYSA-N 1 2 243.314 1.600 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)N2CCCC[C@H]2C)CC1 ZINC000848448166 588385713 /nfs/dbraw/zinc/38/57/13/588385713.db2.gz YRZNSHYIWAKASH-CYBMUJFWSA-N 1 2 249.358 1.232 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000848493679 588387561 /nfs/dbraw/zinc/38/75/61/588387561.db2.gz PHFHMWMEUDSHPY-SNVBAGLBSA-N 1 2 234.259 1.094 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000848493679 588387564 /nfs/dbraw/zinc/38/75/64/588387564.db2.gz PHFHMWMEUDSHPY-SNVBAGLBSA-N 1 2 234.259 1.094 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000848494741 588388030 /nfs/dbraw/zinc/38/80/30/588388030.db2.gz ZTYGHNNITPLPTD-SNVBAGLBSA-N 1 2 234.259 1.094 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000848494741 588388032 /nfs/dbraw/zinc/38/80/32/588388032.db2.gz ZTYGHNNITPLPTD-SNVBAGLBSA-N 1 2 234.259 1.094 20 30 BDEDLO C#CC[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000848707075 588407207 /nfs/dbraw/zinc/40/72/07/588407207.db2.gz CCYYNOWRASKIPL-JTQLQIEISA-N 1 2 233.315 1.570 20 30 BDEDLO C#C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000848750712 588411116 /nfs/dbraw/zinc/41/11/16/588411116.db2.gz UPYKQSYKSGREFV-LLVKDONJSA-N 1 2 201.273 1.635 20 30 BDEDLO N#CCC1C[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000849327723 588472863 /nfs/dbraw/zinc/47/28/63/588472863.db2.gz UZSMCNMBCPXZEE-CYBMUJFWSA-N 1 2 234.274 1.705 20 30 BDEDLO C[C@H](CC#N)C(=O)OCCc1c[nH+]cn1C ZINC000849850934 588504537 /nfs/dbraw/zinc/50/45/37/588504537.db2.gz AOFOCLVOBKUQPF-SECBINFHSA-N 1 2 221.260 1.056 20 30 BDEDLO C[C@@H](CC#N)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000850998209 588582963 /nfs/dbraw/zinc/58/29/63/588582963.db2.gz NXNDPUOQWFPLFW-UWVGGRQHSA-N 1 2 228.267 1.123 20 30 BDEDLO C[C@@H](CC#N)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000850998209 588582965 /nfs/dbraw/zinc/58/29/65/588582965.db2.gz NXNDPUOQWFPLFW-UWVGGRQHSA-N 1 2 228.267 1.123 20 30 BDEDLO CC[N@@H+](CC#N)CC[C@H]1COC(C)(C)O1 ZINC000851744903 588621800 /nfs/dbraw/zinc/62/18/00/588621800.db2.gz RHPYJIDDACXMEV-JTQLQIEISA-N 1 2 212.293 1.373 20 30 BDEDLO CC[N@H+](CC#N)CC[C@H]1COC(C)(C)O1 ZINC000851744903 588621801 /nfs/dbraw/zinc/62/18/01/588621801.db2.gz RHPYJIDDACXMEV-JTQLQIEISA-N 1 2 212.293 1.373 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(CC)[nH]1)[C@@H]1CCCO1 ZINC000851951211 588647526 /nfs/dbraw/zinc/64/75/26/588647526.db2.gz WEUFTLZPQBFSGI-VWYCJHECSA-N 1 2 248.330 1.199 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1occc1C(=O)OC ZINC000852098878 588662173 /nfs/dbraw/zinc/66/21/73/588662173.db2.gz YILYKVUEUMACGP-CYBMUJFWSA-N 1 2 235.283 1.958 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000852104126 588663755 /nfs/dbraw/zinc/66/37/55/588663755.db2.gz BOYPXHOUIQDJHQ-NSHDSACASA-N 1 2 237.259 1.783 20 30 BDEDLO C#C[C@H](NC(=O)N[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000852304059 588677540 /nfs/dbraw/zinc/67/75/40/588677540.db2.gz FWCWKKLCGWYYEA-MNOVXSKESA-N 1 2 248.330 1.438 20 30 BDEDLO CCn1nc(C)c(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000852318780 588678104 /nfs/dbraw/zinc/67/81/04/588678104.db2.gz BBQOOFXHMVSNEG-GFCCVEGCSA-N 1 2 247.346 1.732 20 30 BDEDLO CCn1nc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000852318780 588678105 /nfs/dbraw/zinc/67/81/05/588678105.db2.gz BBQOOFXHMVSNEG-GFCCVEGCSA-N 1 2 247.346 1.732 20 30 BDEDLO C=CC[N@H+](Cc1nccc(C)n1)[C@@H](C)COC ZINC000852357275 588679308 /nfs/dbraw/zinc/67/93/08/588679308.db2.gz ZNGYBDCRCQLGCL-LBPRGKRZSA-N 1 2 235.331 1.808 20 30 BDEDLO C=CC[N@@H+](Cc1nccc(C)n1)[C@@H](C)COC ZINC000852357275 588679309 /nfs/dbraw/zinc/67/93/09/588679309.db2.gz ZNGYBDCRCQLGCL-LBPRGKRZSA-N 1 2 235.331 1.808 20 30 BDEDLO C=CC[N@H+](Cc1cnon1)[C@@H](C)COC ZINC000852356974 588679771 /nfs/dbraw/zinc/67/97/71/588679771.db2.gz UEWQZQUBNSIOLF-VIFPVBQESA-N 1 2 211.265 1.093 20 30 BDEDLO C=CC[N@@H+](Cc1cnon1)[C@@H](C)COC ZINC000852356974 588679772 /nfs/dbraw/zinc/67/97/72/588679772.db2.gz UEWQZQUBNSIOLF-VIFPVBQESA-N 1 2 211.265 1.093 20 30 BDEDLO C#CCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000852414993 588681792 /nfs/dbraw/zinc/68/17/92/588681792.db2.gz WNGBCSOCSRJYMN-SECBINFHSA-N 1 2 203.232 1.102 20 30 BDEDLO C#CCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000852414993 588681793 /nfs/dbraw/zinc/68/17/93/588681793.db2.gz WNGBCSOCSRJYMN-SECBINFHSA-N 1 2 203.232 1.102 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852565887 588690674 /nfs/dbraw/zinc/69/06/74/588690674.db2.gz BHGZSGJEXXRRPO-UHFFFAOYSA-N 1 2 220.700 1.369 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)OC ZINC000852565887 588690675 /nfs/dbraw/zinc/69/06/75/588690675.db2.gz BHGZSGJEXXRRPO-UHFFFAOYSA-N 1 2 220.700 1.369 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)c2ccccn2)C1 ZINC000852684067 588695425 /nfs/dbraw/zinc/69/54/25/588695425.db2.gz ASUQDPRZOIXLIU-QWHCGFSZSA-N 1 2 231.299 1.351 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000852684067 588695426 /nfs/dbraw/zinc/69/54/26/588695426.db2.gz ASUQDPRZOIXLIU-QWHCGFSZSA-N 1 2 231.299 1.351 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688215 588696130 /nfs/dbraw/zinc/69/61/30/588696130.db2.gz ZIULNPGCEUVAJC-YPMHNXCESA-N 1 2 249.314 1.205 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688215 588696131 /nfs/dbraw/zinc/69/61/31/588696131.db2.gz ZIULNPGCEUVAJC-YPMHNXCESA-N 1 2 249.314 1.205 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1ncc(C)cn1 ZINC000852750917 588699925 /nfs/dbraw/zinc/69/99/25/588699925.db2.gz JFVRBKIEMQGVCX-UHFFFAOYSA-N 1 2 233.315 1.257 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1ncc(C)cn1 ZINC000852750917 588699926 /nfs/dbraw/zinc/69/99/26/588699926.db2.gz JFVRBKIEMQGVCX-UHFFFAOYSA-N 1 2 233.315 1.257 20 30 BDEDLO C=CC[C@H](C)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000860900622 589128648 /nfs/dbraw/zinc/12/86/48/589128648.db2.gz HOPOFCUWXQFSRE-QWRGUYRKSA-N 1 2 243.372 1.932 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000861853563 589180360 /nfs/dbraw/zinc/18/03/60/589180360.db2.gz GBWYPWBNRQAGGX-SNVBAGLBSA-N 1 2 246.314 1.774 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccnc(F)c1C ZINC000862245905 589196635 /nfs/dbraw/zinc/19/66/35/589196635.db2.gz AZXCNCIRQRFQST-UHFFFAOYSA-N 1 2 216.259 1.598 20 30 BDEDLO COc1ccc(CC(C)=[NH+]n2cccn2)cn1 ZINC000863163538 589266263 /nfs/dbraw/zinc/26/62/63/589266263.db2.gz HTZPPUCZMKSPBG-UHFFFAOYSA-N 1 2 230.271 1.753 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)[C@H]1CCCO1 ZINC000865530913 589443707 /nfs/dbraw/zinc/44/37/07/589443707.db2.gz CXWPVHMUPMKXFF-ZIAGYGMSSA-N 1 2 245.326 1.488 20 30 BDEDLO C=CCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000120796440 589466413 /nfs/dbraw/zinc/46/64/13/589466413.db2.gz LTXXOERJHSUUEI-VIFPVBQESA-N 1 2 215.318 1.153 20 30 BDEDLO C[C@@H]([NH2+]CCCO)c1cccc(C#N)c1O ZINC000866215541 589481288 /nfs/dbraw/zinc/48/12/88/589481288.db2.gz ZUQGFUMDGAPLRY-SECBINFHSA-N 1 2 220.272 1.297 20 30 BDEDLO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866287545 589484312 /nfs/dbraw/zinc/48/43/12/589484312.db2.gz OFSVOPVDHDLYBI-IUCAKERBSA-N 1 2 247.298 1.178 20 30 BDEDLO C[C@@H]([NH2+]CCN(C)C)c1cccc(C#N)c1O ZINC000866356722 589487938 /nfs/dbraw/zinc/48/79/38/589487938.db2.gz OOFYNOPBZPSHRD-SNVBAGLBSA-N 1 2 233.315 1.476 20 30 BDEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[C@H]1C#N ZINC000870669843 589682066 /nfs/dbraw/zinc/68/20/66/589682066.db2.gz CUOUQWJTMFVHBG-VHSXEESVSA-N 1 2 232.287 1.103 20 30 BDEDLO N#Cc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000871748264 589804397 /nfs/dbraw/zinc/80/43/97/589804397.db2.gz BYXKDXWHXCVAOP-JTQLQIEISA-N 1 2 235.243 1.329 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000872264369 589902062 /nfs/dbraw/zinc/90/20/62/589902062.db2.gz OUKOOFPWILQUDW-SNVBAGLBSA-N 1 2 230.739 1.682 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000872264369 589902064 /nfs/dbraw/zinc/90/20/64/589902064.db2.gz OUKOOFPWILQUDW-SNVBAGLBSA-N 1 2 230.739 1.682 20 30 BDEDLO CC(C)OCCON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872376911 589926166 /nfs/dbraw/zinc/92/61/66/589926166.db2.gz VJJDNXMFLJCKMQ-UHFFFAOYSA-N 1 2 248.286 1.685 20 30 BDEDLO C#CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000873821608 590072996 /nfs/dbraw/zinc/07/29/96/590072996.db2.gz MOOPTUURQBPKSS-QMMMGPOBSA-N 1 2 245.204 1.126 20 30 BDEDLO C=C(Cl)CNc1[nH+]cnc2c1cnn2C ZINC000124687684 590074987 /nfs/dbraw/zinc/07/49/87/590074987.db2.gz JVINCSIPWMPCSB-UHFFFAOYSA-N 1 2 223.667 1.528 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000874862119 590150239 /nfs/dbraw/zinc/15/02/39/590150239.db2.gz VJFQNHNUFPDRQO-HAQNSBGRSA-N 1 2 245.326 1.651 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cn(CCC)nn1 ZINC000876525512 590208510 /nfs/dbraw/zinc/20/85/10/590208510.db2.gz FIYIUEBABMZCIN-UHFFFAOYSA-N 1 2 220.320 1.862 20 30 BDEDLO N#CCC[NH2+]Cc1ccccc1OCCCCO ZINC000877484006 590337867 /nfs/dbraw/zinc/33/78/67/590337867.db2.gz SQYFIUUFMBZFOT-UHFFFAOYSA-N 1 2 248.326 1.841 20 30 BDEDLO C#CC[C@H]([NH2+]CCC(C)(C)SC)C(=O)OC ZINC000877583162 590366377 /nfs/dbraw/zinc/36/63/77/590366377.db2.gz MBGXQGMTUZZKAN-JTQLQIEISA-N 1 2 243.372 1.673 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OC ZINC000877584267 590368318 /nfs/dbraw/zinc/36/83/18/590368318.db2.gz YIZSZKHVBLKZSY-WDEREUQCSA-N 1 2 221.300 1.474 20 30 BDEDLO CCCn1cc(C[NH2+]CC2(C#N)CCC2)nn1 ZINC000877594754 590369832 /nfs/dbraw/zinc/36/98/32/590369832.db2.gz JVUFUVTYLSYEEQ-UHFFFAOYSA-N 1 2 233.319 1.472 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@H]1CCSC1 ZINC000877710125 590398159 /nfs/dbraw/zinc/39/81/59/590398159.db2.gz HNDGCYBFPKBYNA-SNVBAGLBSA-N 1 2 242.344 1.128 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@H]1CCSC1 ZINC000877710125 590398162 /nfs/dbraw/zinc/39/81/62/590398162.db2.gz HNDGCYBFPKBYNA-SNVBAGLBSA-N 1 2 242.344 1.128 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCc1cnccn1 ZINC000878337137 590549946 /nfs/dbraw/zinc/54/99/46/590549946.db2.gz CYELIOUDDOLVKB-GFCCVEGCSA-N 1 2 249.314 1.069 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCc1cnccn1 ZINC000878337137 590549948 /nfs/dbraw/zinc/54/99/48/590549948.db2.gz CYELIOUDDOLVKB-GFCCVEGCSA-N 1 2 249.314 1.069 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nocc1C)[C@@H]1CCCO1 ZINC000878453969 590570469 /nfs/dbraw/zinc/57/04/69/590570469.db2.gz QCSYCMJKJKGPAM-JQWIXIFHSA-N 1 2 220.272 1.253 20 30 BDEDLO C#C[C@H]([NH2+]CC(F)(F)CC)[C@H]1CCCO1 ZINC000878454383 590570710 /nfs/dbraw/zinc/57/07/10/590570710.db2.gz WTVPOQKRULJFQS-VHSXEESVSA-N 1 2 217.259 1.802 20 30 BDEDLO C=CC[N@H+](C)Cc1nccn1CC(F)F ZINC000878462777 590571533 /nfs/dbraw/zinc/57/15/33/590571533.db2.gz YKMHNNIMOHYIHZ-UHFFFAOYSA-N 1 2 215.247 1.766 20 30 BDEDLO C=CC[N@@H+](C)Cc1nccn1CC(F)F ZINC000878462777 590571530 /nfs/dbraw/zinc/57/15/30/590571530.db2.gz YKMHNNIMOHYIHZ-UHFFFAOYSA-N 1 2 215.247 1.766 20 30 BDEDLO C#CCCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493370 590579584 /nfs/dbraw/zinc/57/95/84/590579584.db2.gz LDELGZTVIUKLQU-NSHDSACASA-N 1 2 231.286 1.882 20 30 BDEDLO C#CCCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493370 590579585 /nfs/dbraw/zinc/57/95/85/590579585.db2.gz LDELGZTVIUKLQU-NSHDSACASA-N 1 2 231.286 1.882 20 30 BDEDLO C=CC[C@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493531 590580066 /nfs/dbraw/zinc/58/00/66/590580066.db2.gz OCLNOWSKEGJOSM-DTWKUNHWSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493531 590580068 /nfs/dbraw/zinc/58/00/68/590580068.db2.gz OCLNOWSKEGJOSM-DTWKUNHWSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)OC ZINC000878509146 590583258 /nfs/dbraw/zinc/58/32/58/590583258.db2.gz JAUNTRUNKBHGGT-JFGNBEQYSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cnccc1C ZINC000878540536 590588625 /nfs/dbraw/zinc/58/86/25/590588625.db2.gz RQISHXSXNHAQFH-CYBMUJFWSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cnccc1C ZINC000878540536 590588626 /nfs/dbraw/zinc/58/86/26/590588626.db2.gz RQISHXSXNHAQFH-CYBMUJFWSA-N 1 2 248.326 1.940 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](CC=C)C(=O)OC ZINC000878661859 590605685 /nfs/dbraw/zinc/60/56/85/590605685.db2.gz IVVXMSYNZILHQQ-ZYHUDNBSSA-N 1 2 209.289 1.496 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000878664536 590606100 /nfs/dbraw/zinc/60/61/00/590606100.db2.gz KQZLGIPUMAECOU-UWVGGRQHSA-N 1 2 227.304 1.261 20 30 BDEDLO C#CC[N@H+](Cc1cccc(F)n1)C1CSC1 ZINC000878910517 590646523 /nfs/dbraw/zinc/64/65/23/590646523.db2.gz OHHSQKXYQDYEGK-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@@H+](Cc1cccc(F)n1)C1CSC1 ZINC000878910517 590646522 /nfs/dbraw/zinc/64/65/22/590646522.db2.gz OHHSQKXYQDYEGK-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)nn1C)C1CSC1 ZINC000878910789 590646828 /nfs/dbraw/zinc/64/68/28/590646828.db2.gz UWEVJIXSEVHXHV-UHFFFAOYSA-N 1 2 235.356 1.279 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)nn1C)C1CSC1 ZINC000878910789 590646831 /nfs/dbraw/zinc/64/68/31/590646831.db2.gz UWEVJIXSEVHXHV-UHFFFAOYSA-N 1 2 235.356 1.279 20 30 BDEDLO C#CC[N@@H+](Cc1cnoc1C)C1CSC1 ZINC000878909716 590647360 /nfs/dbraw/zinc/64/73/60/590647360.db2.gz IGSPCWXTODSPJI-UHFFFAOYSA-N 1 2 222.313 1.534 20 30 BDEDLO C#CC[N@H+](Cc1cnoc1C)C1CSC1 ZINC000878909716 590647363 /nfs/dbraw/zinc/64/73/63/590647363.db2.gz IGSPCWXTODSPJI-UHFFFAOYSA-N 1 2 222.313 1.534 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)ncn1)C1CSC1 ZINC000878910900 590647387 /nfs/dbraw/zinc/64/73/87/590647387.db2.gz ZBOFRDLQEITXLW-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)ncn1)C1CSC1 ZINC000878910900 590647391 /nfs/dbraw/zinc/64/73/91/590647391.db2.gz ZBOFRDLQEITXLW-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CC[N@@H+](Cc1cccnc1OC)C1CSC1 ZINC000878909734 590647856 /nfs/dbraw/zinc/64/78/56/590647856.db2.gz IULRZRIORNIXHA-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO C#CC[N@H+](Cc1cccnc1OC)C1CSC1 ZINC000878909734 590647858 /nfs/dbraw/zinc/64/78/58/590647858.db2.gz IULRZRIORNIXHA-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc2c(o1)CCCC2 ZINC000878995231 590672170 /nfs/dbraw/zinc/67/21/70/590672170.db2.gz NYPJYSUEAKIBGU-SECBINFHSA-N 1 2 222.288 1.190 20 30 BDEDLO CC(C)CC(=O)N1CCC[N@H+](CCC#N)CC1 ZINC000879758651 590864835 /nfs/dbraw/zinc/86/48/35/590864835.db2.gz VYAVEQMWPDXVDZ-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO CC(C)CC(=O)N1CCC[N@@H+](CCC#N)CC1 ZINC000879758651 590864837 /nfs/dbraw/zinc/86/48/37/590864837.db2.gz VYAVEQMWPDXVDZ-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@H](CF)C2)n1 ZINC000880299499 590994253 /nfs/dbraw/zinc/99/42/53/590994253.db2.gz HTYZISZUERCIOK-QMMMGPOBSA-N 1 2 225.292 1.806 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](CF)C2)n1 ZINC000880299499 590994254 /nfs/dbraw/zinc/99/42/54/590994254.db2.gz HTYZISZUERCIOK-QMMMGPOBSA-N 1 2 225.292 1.806 20 30 BDEDLO C=C(CC)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880338726 591008313 /nfs/dbraw/zinc/00/83/13/591008313.db2.gz CTQPNKMFQFJSOU-GFCCVEGCSA-N 1 2 241.331 1.510 20 30 BDEDLO COC(=O)C(C)(C)C[N@H+](CC#N)CC(C)C ZINC000880381712 591018322 /nfs/dbraw/zinc/01/83/22/591018322.db2.gz DEXTUCYWYBKZHG-UHFFFAOYSA-N 1 2 226.320 1.667 20 30 BDEDLO COC(=O)C(C)(C)C[N@@H+](CC#N)CC(C)C ZINC000880381712 591018324 /nfs/dbraw/zinc/01/83/24/591018324.db2.gz DEXTUCYWYBKZHG-UHFFFAOYSA-N 1 2 226.320 1.667 20 30 BDEDLO N#CCCC[N@@H+]1CCc2ncncc2C1 ZINC000880593078 591105376 /nfs/dbraw/zinc/10/53/76/591105376.db2.gz MFHOMYCVSCQIEI-UHFFFAOYSA-N 1 2 202.261 1.138 20 30 BDEDLO N#CCCC[N@H+]1CCc2ncncc2C1 ZINC000880593078 591105379 /nfs/dbraw/zinc/10/53/79/591105379.db2.gz MFHOMYCVSCQIEI-UHFFFAOYSA-N 1 2 202.261 1.138 20 30 BDEDLO C=C[C@@](C)(O)c1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000881323676 591190449 /nfs/dbraw/zinc/19/04/49/591190449.db2.gz NQMUXDPOGHMFNP-CYBMUJFWSA-N 1 2 244.298 1.423 20 30 BDEDLO C#CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC000882532234 591383676 /nfs/dbraw/zinc/38/36/76/591383676.db2.gz HYFCYEWFNHHCIJ-LBPRGKRZSA-N 1 2 245.326 1.896 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc[nH+]cc1F ZINC000882671139 591409408 /nfs/dbraw/zinc/40/94/08/591409408.db2.gz JCYXNCOHBLJOJV-SNVBAGLBSA-N 1 2 222.263 1.483 20 30 BDEDLO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000883390221 591641886 /nfs/dbraw/zinc/64/18/86/591641886.db2.gz IDTMMXJXYPBPRZ-ONGXEEELSA-N 1 2 223.320 1.696 20 30 BDEDLO C#CCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000132217628 591694210 /nfs/dbraw/zinc/69/42/10/591694210.db2.gz ZCKPXHSCWYAURN-GFCCVEGCSA-N 1 2 243.306 1.610 20 30 BDEDLO C#CCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000132217628 591694212 /nfs/dbraw/zinc/69/42/12/591694212.db2.gz ZCKPXHSCWYAURN-GFCCVEGCSA-N 1 2 243.306 1.610 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C)C[C@H](C)C#N ZINC000214749486 591781967 /nfs/dbraw/zinc/78/19/67/591781967.db2.gz SXQACGFDUMKAGQ-JRZFIGEHSA-N 1 2 210.277 1.197 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C)C[C@H](C)C#N ZINC000214749486 591781969 /nfs/dbraw/zinc/78/19/69/591781969.db2.gz SXQACGFDUMKAGQ-JRZFIGEHSA-N 1 2 210.277 1.197 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886243378 592183785 /nfs/dbraw/zinc/18/37/85/592183785.db2.gz XONLPUZUJXMMNE-MCIONIFRSA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886243378 592183787 /nfs/dbraw/zinc/18/37/87/592183787.db2.gz XONLPUZUJXMMNE-MCIONIFRSA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000886242772 592183817 /nfs/dbraw/zinc/18/38/17/592183817.db2.gz CSNHNTIEKNSMOP-KBPBESRZSA-N 1 2 249.354 1.670 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000886242772 592183818 /nfs/dbraw/zinc/18/38/18/592183818.db2.gz CSNHNTIEKNSMOP-KBPBESRZSA-N 1 2 249.354 1.670 20 30 BDEDLO CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)C#N ZINC000886283671 592200022 /nfs/dbraw/zinc/20/00/22/592200022.db2.gz DKTVBLXRFQVGKZ-NEPJUHHUSA-N 1 2 235.331 1.665 20 30 BDEDLO CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)C#N ZINC000886283671 592200023 /nfs/dbraw/zinc/20/00/23/592200023.db2.gz DKTVBLXRFQVGKZ-NEPJUHHUSA-N 1 2 235.331 1.665 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886609832 592274401 /nfs/dbraw/zinc/27/44/01/592274401.db2.gz FRQJRYSSVOWMGW-SNVBAGLBSA-N 1 2 246.314 1.337 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886950510 592400649 /nfs/dbraw/zinc/40/06/49/592400649.db2.gz MNIBYVILZAMCKM-MNOVXSKESA-N 1 2 227.304 1.263 20 30 BDEDLO C=C(C)C[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887070461 592433993 /nfs/dbraw/zinc/43/39/93/592433993.db2.gz MVKFARDYMXRHLS-SECBINFHSA-N 1 2 215.318 1.153 20 30 BDEDLO C=C(C)C[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887070461 592433996 /nfs/dbraw/zinc/43/39/96/592433996.db2.gz MVKFARDYMXRHLS-SECBINFHSA-N 1 2 215.318 1.153 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H](C)CCSC)C(=O)OC ZINC000301051142 592527840 /nfs/dbraw/zinc/52/78/40/592527840.db2.gz TZNABEIEQDUSLB-DTWKUNHWSA-N 1 2 217.334 1.445 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890104399 592680645 /nfs/dbraw/zinc/68/06/45/592680645.db2.gz YARQOBSSTKOAKN-UHFFFAOYSA-N 1 2 219.288 1.393 20 30 BDEDLO Cc1cc(NCC(C)(C)C#N)nc(N)[nH+]1 ZINC000308830850 631677120 /nfs/dbraw/zinc/67/71/20/631677120.db2.gz JKBJTFWBLGTYNN-UHFFFAOYSA-N 1 2 205.265 1.329 20 30 BDEDLO C#CC1(O)C[NH+](CCCCC2CCOCC2)C1 ZINC000934449394 631840687 /nfs/dbraw/zinc/84/06/87/631840687.db2.gz WBPNHXVIZZHVKM-UHFFFAOYSA-N 1 2 237.343 1.263 20 30 BDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc[nH]2)C1 ZINC000949671453 631978300 /nfs/dbraw/zinc/97/83/00/631978300.db2.gz XVYLNVWNCIEFBK-UHFFFAOYSA-N 1 2 245.326 1.184 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000309117892 632640256 /nfs/dbraw/zinc/64/02/56/632640256.db2.gz MKBSMOITUCFNSL-YUMQZZPRSA-N 1 2 225.317 1.446 20 30 BDEDLO C#CC[N@H+]1C[C@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000972733709 632651496 /nfs/dbraw/zinc/65/14/96/632651496.db2.gz AOHJRODKLRTTNS-VIFPVBQESA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1C[C@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000972733709 632651498 /nfs/dbraw/zinc/65/14/98/632651498.db2.gz AOHJRODKLRTTNS-VIFPVBQESA-N 1 2 244.285 1.101 20 30 BDEDLO Cc1nccnc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000235506530 632771331 /nfs/dbraw/zinc/77/13/31/632771331.db2.gz VCKLASZDYWUJOF-JTQLQIEISA-N 1 2 218.304 1.985 20 30 BDEDLO CC#CCCO[NH+]=C(N)Cc1cccnc1 ZINC000154894918 632844565 /nfs/dbraw/zinc/84/45/65/632844565.db2.gz HTBPDLIGGVZHFW-UHFFFAOYSA-N 1 2 217.272 1.326 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](C#N)C1 ZINC000928219559 635835774 /nfs/dbraw/zinc/83/57/74/635835774.db2.gz ZAVSNATVBZLHRT-LLVKDONJSA-N 1 2 246.314 1.115 20 30 BDEDLO C#CC[N@H+](C)CCCNc1[nH+]cccc1C(=O)[O-] ZINC000328063454 633228851 /nfs/dbraw/zinc/22/88/51/633228851.db2.gz BYESNUHRKKBSPP-UHFFFAOYSA-N 1 2 247.298 1.147 20 30 BDEDLO C#CC[N@@H+](C)CCCNc1[nH+]cccc1C(=O)[O-] ZINC000328063454 633228854 /nfs/dbraw/zinc/22/88/54/633228854.db2.gz BYESNUHRKKBSPP-UHFFFAOYSA-N 1 2 247.298 1.147 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)c1ccccc1 ZINC000181486849 633917849 /nfs/dbraw/zinc/91/78/49/633917849.db2.gz SPSSACVQTXUXGM-SECBINFHSA-N 1 2 208.261 1.358 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc2c1COCC2 ZINC000930602176 633926005 /nfs/dbraw/zinc/92/60/05/633926005.db2.gz ZEXDBBYCHVEGBR-ZDUSSCGKSA-N 1 2 234.299 1.639 20 30 BDEDLO C#CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000928625552 636218140 /nfs/dbraw/zinc/21/81/40/636218140.db2.gz UKKNHNMJPOCUJS-GFCCVEGCSA-N 1 2 245.326 1.316 20 30 BDEDLO Cc1ccc(C[NH2+]CCC#N)cc1[N+](=O)[O-] ZINC000035009898 636365796 /nfs/dbraw/zinc/36/57/96/636365796.db2.gz SWYSMSAEEDCEDK-UHFFFAOYSA-N 1 2 219.244 1.907 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)CNc1cccc[nH+]1 ZINC000900239334 637176604 /nfs/dbraw/zinc/17/66/04/637176604.db2.gz DWLYHFIAPYFGRJ-NSHDSACASA-N 1 2 246.314 1.502 20 30 BDEDLO N#C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000900951997 637212448 /nfs/dbraw/zinc/21/24/48/637212448.db2.gz NBYAOSSDXIIXJE-LBPRGKRZSA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@@H](N[C@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000902761098 637333851 /nfs/dbraw/zinc/33/38/51/637333851.db2.gz KEDZTXRCLJXWHG-YPMHNXCESA-N 1 2 244.342 1.698 20 30 BDEDLO C[C@@H](N[C@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000902761098 637333858 /nfs/dbraw/zinc/33/38/58/637333858.db2.gz KEDZTXRCLJXWHG-YPMHNXCESA-N 1 2 244.342 1.698 20 30 BDEDLO C[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000905016259 637546842 /nfs/dbraw/zinc/54/68/42/637546842.db2.gz BQCORQIYERRKRA-UHFFFAOYSA-N 1 2 235.312 1.007 20 30 BDEDLO CCn1nc(C)c(C(=O)/C=C/c2[nH]cc[nH+]2)n1 ZINC000905087836 637586029 /nfs/dbraw/zinc/58/60/29/637586029.db2.gz QUOOFXPZXKNKDS-SNAWJCMRSA-N 1 2 231.259 1.226 20 30 BDEDLO C#CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000905145736 637654978 /nfs/dbraw/zinc/65/49/78/637654978.db2.gz QAGOVMOBHHECMT-GFCCVEGCSA-N 1 2 248.330 1.325 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cncc(O)c1 ZINC000905628388 637861481 /nfs/dbraw/zinc/86/14/81/637861481.db2.gz BFCYFTJIBGBWFW-SNVBAGLBSA-N 1 2 230.271 1.320 20 30 BDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)C1(C)C)C(C)C ZINC000905750686 637898314 /nfs/dbraw/zinc/89/83/14/637898314.db2.gz XJBDRUZAGPVYEP-UHFFFAOYSA-N 1 2 236.359 1.935 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)C1(C)C)C(C)C ZINC000905750686 637898319 /nfs/dbraw/zinc/89/83/19/637898319.db2.gz XJBDRUZAGPVYEP-UHFFFAOYSA-N 1 2 236.359 1.935 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)C(=O)OC ZINC000905777884 637907982 /nfs/dbraw/zinc/90/79/82/637907982.db2.gz GTLVHRJIENPFPY-WCQYABFASA-N 1 2 248.326 1.892 20 30 BDEDLO C=CC[C@@H]([NH2+]CCC(C)(C)OC)C(=O)OC ZINC000905779793 637908046 /nfs/dbraw/zinc/90/80/46/637908046.db2.gz ZNBNPPYJJVIXEF-SNVBAGLBSA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)CCOC)C(=O)OC ZINC000905753865 637912171 /nfs/dbraw/zinc/91/21/71/637912171.db2.gz CTJUJXKJZLYJRK-NXEZZACHSA-N 1 2 215.293 1.119 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)CCOC)C(=O)OC ZINC000905753867 637913154 /nfs/dbraw/zinc/91/31/54/637913154.db2.gz CTJUJXKJZLYJRK-VHSXEESVSA-N 1 2 215.293 1.119 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](CC)CSC)C(=O)OC ZINC000905762206 637919447 /nfs/dbraw/zinc/91/94/47/637919447.db2.gz LHOFQAFFRQYFJL-ZJUUUORDSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000905764286 637920251 /nfs/dbraw/zinc/92/02/51/637920251.db2.gz HEBGDXGOYHZHHC-WDEREUQCSA-N 1 2 225.288 1.386 20 30 BDEDLO C=CC[C@@H]([NH2+]CC(C)(C)COCC)C(=O)OC ZINC000905768201 637923344 /nfs/dbraw/zinc/92/33/44/637923344.db2.gz UYLCQSHVOMPUME-LLVKDONJSA-N 1 2 243.347 1.756 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000905769381 637924668 /nfs/dbraw/zinc/92/46/68/637924668.db2.gz DPMMJGXHDJRKBG-WHOHXGKFSA-N 1 2 241.331 1.507 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)C(=O)OC ZINC000905769617 637924694 /nfs/dbraw/zinc/92/46/94/637924694.db2.gz HYHXFGVISGUBJN-WOPDTQHZSA-N 1 2 243.347 1.755 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000905771524 637926750 /nfs/dbraw/zinc/92/67/50/637926750.db2.gz JWGMQPYJZQGBAH-YFKTTZPYSA-N 1 2 238.331 1.856 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C(=O)OC ZINC000905773608 637928836 /nfs/dbraw/zinc/92/88/36/637928836.db2.gz UPYSOTXXJUQFBL-UTLUCORTSA-N 1 2 229.345 1.588 20 30 BDEDLO C=CC[C@@H]([NH2+]CCCc1ccco1)C(=O)OC ZINC000905773539 637928908 /nfs/dbraw/zinc/92/89/08/637928908.db2.gz IZZXVHKJMTWCOE-GFCCVEGCSA-N 1 2 237.299 1.920 20 30 BDEDLO Cc1cc(C)c(C(=O)N(C)CCC#N)c(C)[nH+]1 ZINC000906397803 638154600 /nfs/dbraw/zinc/15/46/00/638154600.db2.gz CJZIIIILWAQYGC-UHFFFAOYSA-N 1 2 231.299 1.993 20 30 BDEDLO C#CCN(C(=O)CNc1cccc[nH+]1)C1CC1 ZINC000907399964 638372819 /nfs/dbraw/zinc/37/28/19/638372819.db2.gz JUHRVRYLESSEPJ-UHFFFAOYSA-N 1 2 229.283 1.118 20 30 BDEDLO Cc1cc(C)c(C(=O)NCCC#N)c(C)[nH+]1 ZINC000907804394 638470464 /nfs/dbraw/zinc/47/04/64/638470464.db2.gz XKWVTQCXJOQXAX-UHFFFAOYSA-N 1 2 217.272 1.650 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1noc2c1COCC2 ZINC000930243183 639650965 /nfs/dbraw/zinc/65/09/65/639650965.db2.gz BEEFNFYOKDIOIW-UHFFFAOYSA-N 1 2 222.288 1.755 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1noc2c1COCC2 ZINC000930243183 639650974 /nfs/dbraw/zinc/65/09/74/639650974.db2.gz BEEFNFYOKDIOIW-UHFFFAOYSA-N 1 2 222.288 1.755 20 30 BDEDLO C#CC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930476301 639772237 /nfs/dbraw/zinc/77/22/37/639772237.db2.gz PAKMPKJYWHQCLF-UHFFFAOYSA-N 1 2 218.256 1.399 20 30 BDEDLO C#CC[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930476301 639772238 /nfs/dbraw/zinc/77/22/38/639772238.db2.gz PAKMPKJYWHQCLF-UHFFFAOYSA-N 1 2 218.256 1.399 20 30 BDEDLO C=CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C)COC ZINC000912307320 640023657 /nfs/dbraw/zinc/02/36/57/640023657.db2.gz IKQTWVLHQQODDF-SNVBAGLBSA-N 1 2 237.303 1.002 20 30 BDEDLO C[C@@H](CC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931158399 640082464 /nfs/dbraw/zinc/08/24/64/640082464.db2.gz PECVZOIBKQQQKQ-QMMMGPOBSA-N 1 2 228.255 1.595 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]OC/C=C/Cl ZINC000382341627 711484697 /nfs/dbraw/zinc/48/46/97/711484697.db2.gz CGKFQXJPCQFUFN-MKFALKFUSA-N 1 2 228.683 1.414 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000912985837 640264808 /nfs/dbraw/zinc/26/48/08/640264808.db2.gz LOYFISRSEPEOAN-GFCCVEGCSA-N 1 2 243.310 1.365 20 30 BDEDLO C[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000932348251 640490431 /nfs/dbraw/zinc/49/04/31/640490431.db2.gz DOUKMYTVSPRHRX-NWDGAFQWSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000932348251 640490432 /nfs/dbraw/zinc/49/04/32/640490432.db2.gz DOUKMYTVSPRHRX-NWDGAFQWSA-N 1 2 221.304 1.541 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC2=CCCCC2)C1 ZINC001030158961 640642621 /nfs/dbraw/zinc/64/26/21/640642621.db2.gz UXBLXYNUCIIFKS-UHFFFAOYSA-N 1 2 246.354 1.701 20 30 BDEDLO C=CC[N@@H+](CC[C@@H]1CCCO1)CC(=O)OCC ZINC000157395260 640675579 /nfs/dbraw/zinc/67/55/79/640675579.db2.gz BESIRYSIVIRXAD-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CC[N@H+](CC[C@@H]1CCCO1)CC(=O)OCC ZINC000157395260 640675585 /nfs/dbraw/zinc/67/55/85/640675585.db2.gz BESIRYSIVIRXAD-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO Cc1[nH]c(CN2CCO[C@@](C)(C#N)C2)[nH+]c1C ZINC000933609968 640733455 /nfs/dbraw/zinc/73/34/55/640733455.db2.gz FQXDXTCATLSNFW-LBPRGKRZSA-N 1 2 234.303 1.141 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001030562513 640917593 /nfs/dbraw/zinc/91/75/93/640917593.db2.gz AZJAMFFIQXXQDL-SGMGOOAPSA-N 1 2 246.354 1.246 20 30 BDEDLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccncc1C#N ZINC000934107392 641070413 /nfs/dbraw/zinc/07/04/13/641070413.db2.gz MIFILXWYEPUXHQ-CHWSQXEVSA-N 1 2 231.299 1.562 20 30 BDEDLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccncc1C#N ZINC000934107392 641070416 /nfs/dbraw/zinc/07/04/16/641070416.db2.gz MIFILXWYEPUXHQ-CHWSQXEVSA-N 1 2 231.299 1.562 20 30 BDEDLO Cn1nccc1CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000230761119 641096863 /nfs/dbraw/zinc/09/68/63/641096863.db2.gz NKJWASQWFLQANI-NSHDSACASA-N 1 2 218.304 1.198 20 30 BDEDLO Cn1nccc1CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000230761119 641096873 /nfs/dbraw/zinc/09/68/73/641096873.db2.gz NKJWASQWFLQANI-NSHDSACASA-N 1 2 218.304 1.198 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1cccnc1)C(=O)OC ZINC000934225344 641105431 /nfs/dbraw/zinc/10/54/31/641105431.db2.gz BZHJHEKGBSMIGU-WCQYABFASA-N 1 2 248.326 1.720 20 30 BDEDLO C=CC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934275609 641114995 /nfs/dbraw/zinc/11/49/95/641114995.db2.gz GWNYAOMJFQLJLI-VIFPVBQESA-N 1 2 235.287 1.514 20 30 BDEDLO C=CC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934275609 641114997 /nfs/dbraw/zinc/11/49/97/641114997.db2.gz GWNYAOMJFQLJLI-VIFPVBQESA-N 1 2 235.287 1.514 20 30 BDEDLO C#CC1(O)C[NH+]([C@H](CCOC)c2ccccc2)C1 ZINC000934450082 641148714 /nfs/dbraw/zinc/14/87/14/641148714.db2.gz OYROHNHQXJYUFX-CQSZACIVSA-N 1 2 245.322 1.444 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1ncnn1CCC ZINC000934463354 641158263 /nfs/dbraw/zinc/15/82/63/641158263.db2.gz HFFYLCWHYUQZDV-LLVKDONJSA-N 1 2 220.320 1.839 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ncnn1CCC ZINC000934463354 641158268 /nfs/dbraw/zinc/15/82/68/641158268.db2.gz HFFYLCWHYUQZDV-LLVKDONJSA-N 1 2 220.320 1.839 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(OC)no1 ZINC000934515678 641183273 /nfs/dbraw/zinc/18/32/73/641183273.db2.gz PGPRQXOTTUJLMK-JTQLQIEISA-N 1 2 220.272 1.671 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(OC)no1 ZINC000934515678 641183274 /nfs/dbraw/zinc/18/32/74/641183274.db2.gz PGPRQXOTTUJLMK-JTQLQIEISA-N 1 2 220.272 1.671 20 30 BDEDLO CC(C)COCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000232662778 641329485 /nfs/dbraw/zinc/32/94/85/641329485.db2.gz OPDCBJGKDTYONW-GFCCVEGCSA-N 1 2 210.321 1.895 20 30 BDEDLO CC(C)COCC[N@H+]1CCC[C@H](C#N)C1 ZINC000232662778 641329488 /nfs/dbraw/zinc/32/94/88/641329488.db2.gz OPDCBJGKDTYONW-GFCCVEGCSA-N 1 2 210.321 1.895 20 30 BDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC)C2)cc1 ZINC001030774854 641348084 /nfs/dbraw/zinc/34/80/84/641348084.db2.gz AZEKUUNTYSANSK-UHFFFAOYSA-N 1 2 228.295 1.102 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001030851885 641382735 /nfs/dbraw/zinc/38/27/35/641382735.db2.gz ZZXICKYJKCMLBW-GHMZBOCLSA-N 1 2 240.322 1.501 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001030873473 641393525 /nfs/dbraw/zinc/39/35/25/641393525.db2.gz SDXXEMHIWQHDBJ-GXTWGEPZSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC001031043339 641637461 /nfs/dbraw/zinc/63/74/61/641637461.db2.gz BABCUSWFIPBBDR-VXGBXAGGSA-N 1 2 236.359 1.799 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001031202972 641807741 /nfs/dbraw/zinc/80/77/41/641807741.db2.gz HBHZCPBYKCWLIM-ZDUSSCGKSA-N 1 2 248.370 1.943 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001031203814 641807999 /nfs/dbraw/zinc/80/79/99/641807999.db2.gz SIKDSQYYDHCVJW-ZDUSSCGKSA-N 1 2 246.354 1.390 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC000948571462 641813226 /nfs/dbraw/zinc/81/32/26/641813226.db2.gz SGFVIMKYIYXBBS-UHFFFAOYSA-N 1 2 244.338 1.615 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C2CC2)C2CC2)C1 ZINC001031227904 641831730 /nfs/dbraw/zinc/83/17/30/641831730.db2.gz MXWXRCJUNNXRMO-UHFFFAOYSA-N 1 2 248.370 1.799 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccn2C)C1 ZINC000949688087 641854607 /nfs/dbraw/zinc/85/46/07/641854607.db2.gz QTWDHVQXMBIPFK-UHFFFAOYSA-N 1 2 247.342 1.357 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2=CCCC2)C1 ZINC000949880915 641868693 /nfs/dbraw/zinc/86/86/93/641868693.db2.gz DXJAOLHLLBKUGU-UHFFFAOYSA-N 1 2 234.343 1.815 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]cc2C)C1 ZINC001031382101 642042655 /nfs/dbraw/zinc/04/26/55/642042655.db2.gz ISLOGGSLJOGPKX-UHFFFAOYSA-N 1 2 233.315 1.313 20 30 BDEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCOCC2)cc1 ZINC000154496658 642110647 /nfs/dbraw/zinc/11/06/47/642110647.db2.gz SADSLBROYCRIHP-GFCCVEGCSA-N 1 2 246.310 1.810 20 30 BDEDLO CC(C)(C)NC(=S)NCCCn1cc[nH+]c1 ZINC000013679585 642875918 /nfs/dbraw/zinc/87/59/18/642875918.db2.gz IZNYWVYBUKHTBO-UHFFFAOYSA-N 1 2 240.376 1.947 20 30 BDEDLO Cc1nonc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000070261686 643009018 /nfs/dbraw/zinc/00/90/18/643009018.db2.gz SLRCFHUQYKEMLB-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccco1 ZINC001032251593 643401566 /nfs/dbraw/zinc/40/15/66/643401566.db2.gz UBOHQKSPLWQLFD-QWRGUYRKSA-N 1 2 232.283 1.364 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccco1 ZINC001032251593 643401567 /nfs/dbraw/zinc/40/15/67/643401567.db2.gz UBOHQKSPLWQLFD-QWRGUYRKSA-N 1 2 232.283 1.364 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1 ZINC001032279272 643434637 /nfs/dbraw/zinc/43/46/37/643434637.db2.gz KJDHADUQBADATQ-STQMWFEESA-N 1 2 244.294 1.202 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1 ZINC001032279272 643434643 /nfs/dbraw/zinc/43/46/43/643434643.db2.gz KJDHADUQBADATQ-STQMWFEESA-N 1 2 244.294 1.202 20 30 BDEDLO C=CCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922406854 643990248 /nfs/dbraw/zinc/99/02/48/643990248.db2.gz NFSQBYXTQSRXEF-UHFFFAOYSA-N 1 2 206.245 1.673 20 30 BDEDLO CC1CC(C#N)(C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922533037 644015991 /nfs/dbraw/zinc/01/59/91/644015991.db2.gz KLZWXQZAPBAINE-UHFFFAOYSA-N 1 2 245.282 1.647 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000950852078 644137969 /nfs/dbraw/zinc/13/79/69/644137969.db2.gz ZLZVCSUIYOPSBO-LBPRGKRZSA-N 1 2 234.343 1.507 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000951213068 644204321 /nfs/dbraw/zinc/20/43/21/644204321.db2.gz UIEZFRGOYPFNLB-ITGUQSILSA-N 1 2 248.370 1.751 20 30 BDEDLO C#CCC1([NH2+]Cc2nnn(C(C)(C)C)n2)CCC1 ZINC000922999901 644217960 /nfs/dbraw/zinc/21/79/60/644217960.db2.gz WFFPOIXWIXAFGV-UHFFFAOYSA-N 1 2 247.346 1.464 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000951628307 644267871 /nfs/dbraw/zinc/26/78/71/644267871.db2.gz NWOYXHVUVOTZQJ-UONOGXRCSA-N 1 2 248.370 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCn2cccc2)CC1 ZINC000952403265 644386570 /nfs/dbraw/zinc/38/65/70/644386570.db2.gz DBTQWUBFCOMTRO-UHFFFAOYSA-N 1 2 247.342 1.208 20 30 BDEDLO N#CCC1(C[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC000088255497 644515168 /nfs/dbraw/zinc/51/51/68/644515168.db2.gz QIPJHFVKFYXPMI-NSHDSACASA-N 1 2 203.289 1.916 20 30 BDEDLO N#CCC1(C[N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC000088255497 644515171 /nfs/dbraw/zinc/51/51/71/644515171.db2.gz QIPJHFVKFYXPMI-NSHDSACASA-N 1 2 203.289 1.916 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC000089945127 644573215 /nfs/dbraw/zinc/57/32/15/644573215.db2.gz UFBAIPCLBISKMK-UHFFFAOYSA-N 1 2 244.338 1.446 20 30 BDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccccc1 ZINC000747624665 644585668 /nfs/dbraw/zinc/58/56/68/644585668.db2.gz QIFGMGABMHMWFD-UHFFFAOYSA-N 1 2 243.270 1.513 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nocc2C)CC1 ZINC000957091188 644682279 /nfs/dbraw/zinc/68/22/79/644682279.db2.gz WAAFNQUGBZDREK-UHFFFAOYSA-N 1 2 249.314 1.317 20 30 BDEDLO Cc1cc(N)nc(SCCO[C@@H](C)C#N)[nH+]1 ZINC000304276938 644884419 /nfs/dbraw/zinc/88/44/19/644884419.db2.gz WOSHYFOIHNJHOY-QMMMGPOBSA-N 1 2 238.316 1.388 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000832291806 645132825 /nfs/dbraw/zinc/13/28/25/645132825.db2.gz QPYMJSQGZNSHLK-JGVFFNPUSA-N 1 2 243.656 1.984 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000832291806 645132826 /nfs/dbraw/zinc/13/28/26/645132826.db2.gz QPYMJSQGZNSHLK-JGVFFNPUSA-N 1 2 243.656 1.984 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cnnn1C ZINC000926623152 645321305 /nfs/dbraw/zinc/32/13/05/645321305.db2.gz BDZTZGSVYYJZKP-SECBINFHSA-N 1 2 219.292 1.160 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(Cl)nn1)C1CC1 ZINC000877372214 645794247 /nfs/dbraw/zinc/79/42/47/645794247.db2.gz XXTGQCPTVAFICQ-UHFFFAOYSA-N 1 2 221.691 1.728 20 30 BDEDLO C#CC[N@H+](Cc1ccc(Cl)nn1)C1CC1 ZINC000877372214 645794256 /nfs/dbraw/zinc/79/42/56/645794256.db2.gz XXTGQCPTVAFICQ-UHFFFAOYSA-N 1 2 221.691 1.728 20 30 BDEDLO CCO[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000378860540 712364213 /nfs/dbraw/zinc/36/42/13/712364213.db2.gz PCEZBYKUGGHPGT-UHFFFAOYSA-N 1 2 223.232 1.938 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001038011494 712897968 /nfs/dbraw/zinc/89/79/68/712897968.db2.gz JNVSYNWDNVPWPO-ZDUSSCGKSA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001038011494 712897969 /nfs/dbraw/zinc/89/79/69/712897969.db2.gz JNVSYNWDNVPWPO-ZDUSSCGKSA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001038813032 710708367 /nfs/dbraw/zinc/70/83/67/710708367.db2.gz TXYANHVGJHRUFM-GFCCVEGCSA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001038813032 710708370 /nfs/dbraw/zinc/70/83/70/710708370.db2.gz TXYANHVGJHRUFM-GFCCVEGCSA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038887486 710713960 /nfs/dbraw/zinc/71/39/60/710713960.db2.gz QDEKSMMBAJVGFZ-QWHCGFSZSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038887486 710713963 /nfs/dbraw/zinc/71/39/63/710713963.db2.gz QDEKSMMBAJVGFZ-QWHCGFSZSA-N 1 2 246.354 1.390 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001042543301 710791651 /nfs/dbraw/zinc/79/16/51/710791651.db2.gz JSALVZOTXCYWQL-UHFFFAOYSA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C=C2CCC2)C1 ZINC001042602049 710795040 /nfs/dbraw/zinc/79/50/40/710795040.db2.gz JHHRCADKSFMIEI-UHFFFAOYSA-N 1 2 220.316 1.425 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cocc2C)C1 ZINC001043545928 710808646 /nfs/dbraw/zinc/80/86/46/710808646.db2.gz ZTYVRVZEFDLMLU-UHFFFAOYSA-N 1 2 248.326 1.920 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001043668440 710811016 /nfs/dbraw/zinc/81/10/16/710811016.db2.gz OWNXZDFRBULYFA-QWRGUYRKSA-N 1 2 240.322 1.453 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001044003240 710817166 /nfs/dbraw/zinc/81/71/66/710817166.db2.gz RXWSQSUMDRAGAR-RYUDHWBXSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001044112810 710820194 /nfs/dbraw/zinc/82/01/94/710820194.db2.gz TYXCXOOELXGIJZ-QWHCGFSZSA-N 1 2 236.359 1.607 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(=O)[nH]n1 ZINC000903109331 710892771 /nfs/dbraw/zinc/89/27/71/710892771.db2.gz NXGRXHDYCJMVKM-SNVBAGLBSA-N 1 2 246.314 1.917 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000386406796 711029226 /nfs/dbraw/zinc/02/92/26/711029226.db2.gz IXEGBOSOKRGLBU-LLVKDONJSA-N 1 2 204.277 1.119 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000386406796 711029231 /nfs/dbraw/zinc/02/92/31/711029231.db2.gz IXEGBOSOKRGLBU-LLVKDONJSA-N 1 2 204.277 1.119 20 30 BDEDLO N#C[C@H]1CCCN(CCn2cc[nH+]c2)C1 ZINC000386406796 711029237 /nfs/dbraw/zinc/02/92/37/711029237.db2.gz IXEGBOSOKRGLBU-LLVKDONJSA-N 1 2 204.277 1.119 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(C#N)ccn1 ZINC000903108807 710891974 /nfs/dbraw/zinc/89/19/74/710891974.db2.gz HGGYUXMXYSUOAB-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397611329 711387989 /nfs/dbraw/zinc/38/79/89/711387989.db2.gz INTUILKHBAWIEW-NSHDSACASA-N 1 2 244.360 1.047 20 30 BDEDLO CCS(=O)(=O)CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397611329 711387992 /nfs/dbraw/zinc/38/79/92/711387992.db2.gz INTUILKHBAWIEW-NSHDSACASA-N 1 2 244.360 1.047 20 30 BDEDLO Cc1cc(C)[nH+]c(CN2CCO[C@H](C#N)C2)c1 ZINC000723613711 711525870 /nfs/dbraw/zinc/52/58/70/711525870.db2.gz GNCNDXQKHHXBLR-CYBMUJFWSA-N 1 2 231.299 1.423 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001038150881 711744636 /nfs/dbraw/zinc/74/46/36/711744636.db2.gz GGDVRVRMAOVADM-LBPRGKRZSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001038150881 711744637 /nfs/dbraw/zinc/74/46/37/711744637.db2.gz GGDVRVRMAOVADM-LBPRGKRZSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001038422948 711771268 /nfs/dbraw/zinc/77/12/68/711771268.db2.gz UZIXEVMOPULVHK-NSHDSACASA-N 1 2 246.310 1.279 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001038422948 711771269 /nfs/dbraw/zinc/77/12/69/711771269.db2.gz UZIXEVMOPULVHK-NSHDSACASA-N 1 2 246.310 1.279 20 30 BDEDLO C=C(Cl)C[N@H+]1CCSC[C@@H]1CCO ZINC000379374952 711800801 /nfs/dbraw/zinc/80/08/01/711800801.db2.gz NXDLBBVYNJHYKD-VIFPVBQESA-N 1 2 221.753 1.539 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCSC[C@@H]1CCO ZINC000379374952 711800802 /nfs/dbraw/zinc/80/08/02/711800802.db2.gz NXDLBBVYNJHYKD-VIFPVBQESA-N 1 2 221.753 1.539 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001030182835 711827547 /nfs/dbraw/zinc/82/75/47/711827547.db2.gz ISXSGHWGHPQBBF-WDNDVIMCSA-N 1 2 246.354 1.246 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(CC)n2)C1 ZINC001030240447 711829194 /nfs/dbraw/zinc/82/91/94/711829194.db2.gz SAHHRVVWZYACCD-UHFFFAOYSA-N 1 2 249.314 1.227 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C(C)C ZINC001032352204 711914111 /nfs/dbraw/zinc/91/41/11/711914111.db2.gz KWRREGSTFDZHGX-QWRGUYRKSA-N 1 2 236.290 1.168 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C(C)C ZINC001032352204 711914112 /nfs/dbraw/zinc/91/41/12/711914112.db2.gz KWRREGSTFDZHGX-QWRGUYRKSA-N 1 2 236.290 1.168 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCC1 ZINC001032469735 711919703 /nfs/dbraw/zinc/91/97/03/711919703.db2.gz BBJMZLPAJDVRQV-XBFCOCLRSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCC1 ZINC001032469735 711919704 /nfs/dbraw/zinc/91/97/04/711919704.db2.gz BBJMZLPAJDVRQV-XBFCOCLRSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)CC ZINC001032564826 711926019 /nfs/dbraw/zinc/92/60/19/711926019.db2.gz KLIIGAVBYDBYPI-SRVKXCTJSA-N 1 2 238.306 1.043 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)CC ZINC001032564826 711926020 /nfs/dbraw/zinc/92/60/20/711926020.db2.gz KLIIGAVBYDBYPI-SRVKXCTJSA-N 1 2 238.306 1.043 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)cc1C#N ZINC000700712943 712003770 /nfs/dbraw/zinc/00/37/70/712003770.db2.gz RHZATDNBZJQMPH-UHFFFAOYSA-N 1 2 243.310 1.189 20 30 BDEDLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)cc1C#N ZINC000700712943 712003772 /nfs/dbraw/zinc/00/37/72/712003772.db2.gz RHZATDNBZJQMPH-UHFFFAOYSA-N 1 2 243.310 1.189 20 30 BDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828018026 712593910 /nfs/dbraw/zinc/59/39/10/712593910.db2.gz CQDZKYVBILSHEC-MFKMUULPSA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCc1ccns1 ZINC000719854052 712826079 /nfs/dbraw/zinc/82/60/79/712826079.db2.gz CVKPZSNBDOMXFG-SECBINFHSA-N 1 2 209.318 1.777 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCc1ccns1 ZINC000719854052 712826080 /nfs/dbraw/zinc/82/60/80/712826080.db2.gz CVKPZSNBDOMXFG-SECBINFHSA-N 1 2 209.318 1.777 20 30 BDEDLO C=CC[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC001165033826 721864646 /nfs/dbraw/zinc/86/46/46/721864646.db2.gz ZKRRXDMHIBMPAT-UHFFFAOYSA-N 1 2 242.326 1.570 20 30 BDEDLO CCCCc1[nH]c(CN2CC(C#N)C2)c[nH+]1 ZINC001141066505 960850753 /nfs/dbraw/zinc/85/07/53/960850753.db2.gz GTLJOWPGJKIDCY-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO CCCCc1[nH]cc(CN2CC(C#N)C2)[nH+]1 ZINC001141066505 960850757 /nfs/dbraw/zinc/85/07/57/960850757.db2.gz GTLJOWPGJKIDCY-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO C=CC[NH+]1CCN(Cc2ocnc2C)CC1 ZINC001141054773 960851369 /nfs/dbraw/zinc/85/13/69/960851369.db2.gz VPGZFCHGSGNYAY-UHFFFAOYSA-N 1 2 221.304 1.287 20 30 BDEDLO CCC1(Nc2cc(CC#N)cc[nH+]2)COC1 ZINC001157536881 963651015 /nfs/dbraw/zinc/65/10/15/963651015.db2.gz YQPHCDBHNSJCSP-UHFFFAOYSA-N 1 2 217.272 1.739 20 30 BDEDLO C#CCC[N@@H+](CCOC)CC(=O)OC(C)(C)C ZINC000697465519 963964695 /nfs/dbraw/zinc/96/46/95/963964695.db2.gz UFMHVYJQRSSJOR-UHFFFAOYSA-N 1 2 241.331 1.300 20 30 BDEDLO C#CCC[N@H+](CCOC)CC(=O)OC(C)(C)C ZINC000697465519 963964698 /nfs/dbraw/zinc/96/46/98/963964698.db2.gz UFMHVYJQRSSJOR-UHFFFAOYSA-N 1 2 241.331 1.300 20 30 BDEDLO C=CC[NH+]1CCN(Cc2nc(C)cs2)CC1 ZINC001204376721 966985232 /nfs/dbraw/zinc/98/52/32/966985232.db2.gz XGHJFNIWEUWGJM-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO CC#Cc1cncc(CCn2cc[nH+]c2)c1 ZINC001250318357 967688744 /nfs/dbraw/zinc/68/87/44/967688744.db2.gz DRQOKNXWISRROS-UHFFFAOYSA-N 1 2 211.268 1.892 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209419219 969481049 /nfs/dbraw/zinc/48/10/49/969481049.db2.gz VYNWGVJRWGGOEU-FXPVBKGRSA-N 1 2 223.341 1.917 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209419219 969481064 /nfs/dbraw/zinc/48/10/64/969481064.db2.gz VYNWGVJRWGGOEU-FXPVBKGRSA-N 1 2 223.341 1.917 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](OC)C1CC1 ZINC000400159066 970556132 /nfs/dbraw/zinc/55/61/32/970556132.db2.gz FSRPOCVBLZECPT-LBPRGKRZSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](OC)C1CC1 ZINC000400159066 970556142 /nfs/dbraw/zinc/55/61/42/970556142.db2.gz FSRPOCVBLZECPT-LBPRGKRZSA-N 1 2 241.331 1.463 20 30 BDEDLO N#Cc1cc(SCC[NH+]2CCOCC2)ccn1 ZINC001335307105 976940052 /nfs/dbraw/zinc/94/00/52/976940052.db2.gz DEVKFHQCONVGIB-UHFFFAOYSA-N 1 2 249.339 1.378 20 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C=CCSCC(=O)NC1C[NH+](C(C)C)C1 ZINC001180561062 978908291 /nfs/dbraw/zinc/90/82/91/978908291.db2.gz RVOVYACHFVSWNM-UHFFFAOYSA-N 1 2 228.361 1.114 20 30 BDEDLO Cn1c[nH+]c(CCNC(=O)CC(C)(C)C#N)c1 ZINC001583338465 981812255 /nfs/dbraw/zinc/81/22/55/981812255.db2.gz LDRNZYSBTGXCQU-UHFFFAOYSA-N 1 2 234.303 1.019 20 30 BDEDLO C=C(CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001352281329 982506776 /nfs/dbraw/zinc/50/67/76/982506776.db2.gz JSSYFYPNTORYLN-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO C=CCNC(=O)NCc1c[nH+]cn1C(C)C ZINC001202577469 984085906 /nfs/dbraw/zinc/08/59/06/984085906.db2.gz GKLILSKJUUMBFE-UHFFFAOYSA-N 1 2 222.292 1.449 20 30 BDEDLO C#Cc1cc(NC2=CCCOC2)cc[nH+]1 ZINC001216504778 971103079 /nfs/dbraw/zinc/10/30/79/971103079.db2.gz QDMCOYQGVRJEKI-UHFFFAOYSA-N 1 2 200.241 1.201 20 30 BDEDLO CCC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001257305974 971195398 /nfs/dbraw/zinc/19/53/98/971195398.db2.gz KUWSRQAMVNUADR-IUCAKERBSA-N 1 2 219.350 1.626 20 30 BDEDLO COC(=O)C1CCC([N@H+](C)CC#N)CC1 ZINC001257866856 971508754 /nfs/dbraw/zinc/50/87/54/971508754.db2.gz SKHFPAHPQOIMFE-UHFFFAOYSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)C1CCC([N@@H+](C)CC#N)CC1 ZINC001257866856 971508758 /nfs/dbraw/zinc/50/87/58/971508758.db2.gz SKHFPAHPQOIMFE-UHFFFAOYSA-N 1 2 210.277 1.174 20 30 BDEDLO C[C@H](C#N)[N@H+](C)C1CCC2(COC2)CC1 ZINC001257913439 971542054 /nfs/dbraw/zinc/54/20/54/971542054.db2.gz GTRCXMQUGKBDQK-SNVBAGLBSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)C1CCC2(COC2)CC1 ZINC001257913439 971542063 /nfs/dbraw/zinc/54/20/63/971542063.db2.gz GTRCXMQUGKBDQK-SNVBAGLBSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@H](C)OCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001172329873 974593421 /nfs/dbraw/zinc/59/34/21/974593421.db2.gz JGMVHMBIIVTFNZ-AGIUHOORSA-N 1 2 239.363 1.377 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc[nH]c1 ZINC001480867212 957111554 /nfs/dbraw/zinc/11/15/54/957111554.db2.gz DSDVQIDEIZFJSS-UHFFFAOYSA-N 1 2 241.722 1.429 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc[nH]c1 ZINC001480867212 957111561 /nfs/dbraw/zinc/11/15/61/957111561.db2.gz DSDVQIDEIZFJSS-UHFFFAOYSA-N 1 2 241.722 1.429 20 30 BDEDLO COCCC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001209055946 957306847 /nfs/dbraw/zinc/30/68/47/957306847.db2.gz JUZFRLNTHCBVEW-UHFFFAOYSA-N 1 2 246.310 1.658 20 30 BDEDLO C=CCCC[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209163290 957338751 /nfs/dbraw/zinc/33/87/51/957338751.db2.gz BRSXMQDFRPQSCF-UHFFFAOYSA-N 1 2 245.326 1.696 20 30 BDEDLO C=CCCC[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209163290 957338762 /nfs/dbraw/zinc/33/87/62/957338762.db2.gz BRSXMQDFRPQSCF-UHFFFAOYSA-N 1 2 245.326 1.696 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000693038346 957527068 /nfs/dbraw/zinc/52/70/68/957527068.db2.gz OVWLXNPLMZNLQF-STQMWFEESA-N 1 2 238.331 1.418 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000693038346 957527072 /nfs/dbraw/zinc/52/70/72/957527072.db2.gz OVWLXNPLMZNLQF-STQMWFEESA-N 1 2 238.331 1.418 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](CC=C)CC(=O)OCC ZINC001167252252 957591251 /nfs/dbraw/zinc/59/12/51/957591251.db2.gz YFPIJEWMJLADHM-LBPRGKRZSA-N 1 2 241.331 1.365 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](CC=C)CC(=O)OCC ZINC001167252252 957591258 /nfs/dbraw/zinc/59/12/58/957591258.db2.gz YFPIJEWMJLADHM-LBPRGKRZSA-N 1 2 241.331 1.365 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)coc1C ZINC001038214067 958403156 /nfs/dbraw/zinc/40/31/56/958403156.db2.gz YPZKJCMBVAJNEG-LBPRGKRZSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)coc1C ZINC001038214067 958403159 /nfs/dbraw/zinc/40/31/59/958403159.db2.gz YPZKJCMBVAJNEG-LBPRGKRZSA-N 1 2 246.310 1.334 20 30 BDEDLO C[C@@H](OCCn1cc[nH+]c1)[C@H](C)S ZINC001222139115 972390174 /nfs/dbraw/zinc/39/01/74/972390174.db2.gz NVYJCPGSTHBRSZ-BDAKNGLRSA-N 1 2 200.307 1.607 20 30 BDEDLO C#C[C@H](OCCn1cc[nH+]c1)c1ccncc1 ZINC001222139195 972390484 /nfs/dbraw/zinc/39/04/84/972390484.db2.gz QGWGBAXZYDKYOR-ZDUSSCGKSA-N 1 2 227.267 1.669 20 30 BDEDLO C=C(C)C(=O)NCCCNc1ccc[nH+]c1C ZINC001167669501 959331254 /nfs/dbraw/zinc/33/12/54/959331254.db2.gz GWGALQKWTULQQX-UHFFFAOYSA-N 1 2 233.315 1.884 20 30 BDEDLO C=CC(C)(C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724748641 959366940 /nfs/dbraw/zinc/36/69/40/959366940.db2.gz OZFYDBIFABDINL-QMMMGPOBSA-N 1 2 234.290 1.687 20 30 BDEDLO COc1ccc(C[N@@H+]2CCCOCC2)c(C#N)c1 ZINC001137698114 959479490 /nfs/dbraw/zinc/47/94/90/959479490.db2.gz KQFFKPVGUFFMGI-UHFFFAOYSA-N 1 2 246.310 1.789 20 30 BDEDLO COc1ccc(C[N@H+]2CCCOCC2)c(C#N)c1 ZINC001137698114 959479498 /nfs/dbraw/zinc/47/94/98/959479498.db2.gz KQFFKPVGUFFMGI-UHFFFAOYSA-N 1 2 246.310 1.789 20 30 BDEDLO CCOC(C[N@@H+]1CCC[C@@H](C#N)C1)OCC ZINC000693997798 959667234 /nfs/dbraw/zinc/66/72/34/959667234.db2.gz NQVXCZUMEMHDBC-NSHDSACASA-N 1 2 226.320 1.621 20 30 BDEDLO CCOC(C[N@H+]1CCC[C@@H](C#N)C1)OCC ZINC000693997798 959667249 /nfs/dbraw/zinc/66/72/49/959667249.db2.gz NQVXCZUMEMHDBC-NSHDSACASA-N 1 2 226.320 1.621 20 30 BDEDLO C=CC[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC001144007948 972457476 /nfs/dbraw/zinc/45/74/76/972457476.db2.gz BYZNTMUEQJAHRZ-JTQLQIEISA-N 1 2 207.277 1.212 20 30 BDEDLO C=CC(C)(C)C(=O)NC1C[NH+](CCOCC)C1 ZINC001267654536 960173730 /nfs/dbraw/zinc/17/37/30/960173730.db2.gz BHLKKFAWZWYLTC-UHFFFAOYSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H](C)C2CC2)C1 ZINC001267672278 960189039 /nfs/dbraw/zinc/18/90/39/960189039.db2.gz UDARTADSVDRZFO-LLVKDONJSA-N 1 2 234.343 1.246 20 30 BDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](F)CC)C1 ZINC001267687341 960204354 /nfs/dbraw/zinc/20/43/54/960204354.db2.gz CBNSZEBIIKEEKL-SNVBAGLBSA-N 1 2 248.729 1.535 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+](CCCF)C1 ZINC001481580893 961252917 /nfs/dbraw/zinc/25/29/17/961252917.db2.gz HFQBTRASUNLXDV-CYBMUJFWSA-N 1 2 242.338 1.749 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H](C)C2CC2)C1 ZINC001481605969 961292182 /nfs/dbraw/zinc/29/21/82/961292182.db2.gz NBVKNVNPJDTPGJ-LLVKDONJSA-N 1 2 236.359 1.799 20 30 BDEDLO CC(=NC#N)N(C)Cc1ccc(NC=[NH2+])nc1 ZINC001167865769 961343190 /nfs/dbraw/zinc/34/31/90/961343190.db2.gz YYWMQRRHGNBOIE-OQLLNIDSSA-N 1 2 230.275 1.432 20 30 BDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C(=O)OCC ZINC001167908627 961804545 /nfs/dbraw/zinc/80/45/45/961804545.db2.gz IOPNXXIZKQIABH-OJROKELRSA-N 1 2 235.327 1.882 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccnc2[nH]ccc21 ZINC001142866546 961807157 /nfs/dbraw/zinc/80/71/57/961807157.db2.gz JMFGWSUSYKUJQN-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccnc2[nH]ccc21 ZINC001142866546 961807159 /nfs/dbraw/zinc/80/71/59/961807159.db2.gz JMFGWSUSYKUJQN-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C#CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154144077 962725319 /nfs/dbraw/zinc/72/53/19/962725319.db2.gz VNYYXKQJIDRHDD-UHFFFAOYSA-N 1 2 213.240 1.268 20 30 BDEDLO CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001269617214 962734223 /nfs/dbraw/zinc/73/42/23/962734223.db2.gz ZOHYCXYTOGWLAY-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO CC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001269617214 962734238 /nfs/dbraw/zinc/73/42/38/962734238.db2.gz ZOHYCXYTOGWLAY-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO Cc1nc(N(C)C)cc(NC2=CC(=O)CCC2)[nH+]1 ZINC001155703764 963160424 /nfs/dbraw/zinc/16/04/24/963160424.db2.gz UXYGAVQUMNOSNV-UHFFFAOYSA-N 1 2 246.314 1.900 20 30 BDEDLO N#Cc1c(F)cncc1NCCCn1cc[nH+]c1 ZINC001161688485 963225880 /nfs/dbraw/zinc/22/58/80/963225880.db2.gz UMSBKXMISRZCCJ-UHFFFAOYSA-N 1 2 245.261 1.791 20 30 BDEDLO CC(C)[C@@](C)(Nc1cc(CC#N)cc[nH+]1)C(N)=O ZINC001156652017 963427202 /nfs/dbraw/zinc/42/72/02/963427202.db2.gz TVHMUXWNDISRIS-CYBMUJFWSA-N 1 2 246.314 1.460 20 30 BDEDLO N#CCc1cncc(NCc2cc[nH+]c(N)c2)n1 ZINC001156760690 963455595 /nfs/dbraw/zinc/45/55/95/963455595.db2.gz NTQOJQFVVIMMOT-UHFFFAOYSA-N 1 2 240.270 1.132 20 30 BDEDLO C=C(C)C(=O)OCCNc1c(N)[nH+]ccc1F ZINC001168071987 963602892 /nfs/dbraw/zinc/60/28/92/963602892.db2.gz LUWNRXNVVCMMQI-UHFFFAOYSA-N 1 2 239.250 1.334 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(C#N)c(C#N)c2)C1 ZINC001228257993 963699799 /nfs/dbraw/zinc/69/97/99/963699799.db2.gz OPUVPYXSPFHQSY-UHFFFAOYSA-N 1 2 227.267 1.513 20 30 BDEDLO CN(c1cc(CC#N)cc[nH+]1)[C@H]1CCOC1 ZINC001158574879 963891309 /nfs/dbraw/zinc/89/13/09/963891309.db2.gz OSMWEXRKBQCVGK-NSHDSACASA-N 1 2 217.272 1.373 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001158733721 963909332 /nfs/dbraw/zinc/90/93/32/963909332.db2.gz MVMBZNYPSCWATR-UTUOFQBUSA-N 1 2 249.314 1.294 20 30 BDEDLO C#C[C@@](C)(CC)Nc1cc(N(C)C)nc[nH+]1 ZINC001158737361 963911224 /nfs/dbraw/zinc/91/12/24/963911224.db2.gz SGXBEOZATVUWPS-LBPRGKRZSA-N 1 2 218.304 1.756 20 30 BDEDLO C#C[C@@](C)(CC)Nc1cc(N(C)C)[nH+]cn1 ZINC001158737361 963911230 /nfs/dbraw/zinc/91/12/30/963911230.db2.gz SGXBEOZATVUWPS-LBPRGKRZSA-N 1 2 218.304 1.756 20 30 BDEDLO CC(=O)NC[C@@H](C)CNc1cc(CC#N)cc[nH+]1 ZINC001160654878 964379839 /nfs/dbraw/zinc/37/98/39/964379839.db2.gz CIIUHPCNHZVDKA-SNVBAGLBSA-N 1 2 246.314 1.332 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(C)s1 ZINC000698291868 965186116 /nfs/dbraw/zinc/18/61/16/965186116.db2.gz RUVURHDNMDRFHW-SNVBAGLBSA-N 1 2 209.318 1.738 20 30 BDEDLO CC1(C)C(=O)NC[C@H]1Nc1cc(CC#N)cc[nH+]1 ZINC001163012072 965230194 /nfs/dbraw/zinc/23/01/94/965230194.db2.gz QHIOOFGWDATJBR-SNVBAGLBSA-N 1 2 244.298 1.084 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001483636160 965321891 /nfs/dbraw/zinc/32/18/91/965321891.db2.gz QQVKFGARKGCUGT-HUMZTAOYSA-N 1 2 220.316 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001483636160 965321903 /nfs/dbraw/zinc/32/19/03/965321903.db2.gz QQVKFGARKGCUGT-HUMZTAOYSA-N 1 2 220.316 1.166 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001483678037 965434746 /nfs/dbraw/zinc/43/47/46/965434746.db2.gz OFRULABLLGRYHH-LBPRGKRZSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001483678037 965434766 /nfs/dbraw/zinc/43/47/66/965434766.db2.gz OFRULABLLGRYHH-LBPRGKRZSA-N 1 2 234.343 1.390 20 30 BDEDLO C[C@@H](CCO)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001165893747 966194304 /nfs/dbraw/zinc/19/43/04/966194304.db2.gz MLTOBXWAFIKIEL-JTQLQIEISA-N 1 2 231.299 1.820 20 30 BDEDLO CO[C@@H]1CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001166952634 966481174 /nfs/dbraw/zinc/48/11/74/966481174.db2.gz HVUOMBUHXKVPGA-GFCCVEGCSA-N 1 2 231.299 1.763 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3ccc[nH]3)CC[C@@H]2S1 ZINC001204004455 966844635 /nfs/dbraw/zinc/84/46/35/966844635.db2.gz CJIKSPGHZBMOOS-NSHDSACASA-N 1 2 234.324 1.789 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3ccc[nH]3)CC[C@@H]2S1 ZINC001204004455 966844639 /nfs/dbraw/zinc/84/46/39/966844639.db2.gz CJIKSPGHZBMOOS-NSHDSACASA-N 1 2 234.324 1.789 20 30 BDEDLO N#CCC[NH2+]Cc1ccc(Br)nc1 ZINC001204011954 966850651 /nfs/dbraw/zinc/85/06/51/966850651.db2.gz NGLQNUGDKBYBJD-UHFFFAOYSA-N 1 2 240.104 1.847 20 30 BDEDLO Cc1ccoc1C[NH2+]CC1(C#N)CCOCC1 ZINC001204029161 966858750 /nfs/dbraw/zinc/85/87/50/966858750.db2.gz WFCZFUFPRYPMJW-UHFFFAOYSA-N 1 2 234.299 1.998 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001032578322 966984671 /nfs/dbraw/zinc/98/46/71/966984671.db2.gz IZKQJCHXEXLPOW-AVGNSLFASA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001032578322 966984677 /nfs/dbraw/zinc/98/46/77/966984677.db2.gz IZKQJCHXEXLPOW-AVGNSLFASA-N 1 2 246.354 1.341 20 30 BDEDLO C[C@@H](CNc1ccc(C#N)nn1)Cn1cc[nH+]c1 ZINC000301856797 967200053 /nfs/dbraw/zinc/20/00/53/967200053.db2.gz ZIBSTRUXNXDUMG-JTQLQIEISA-N 1 2 242.286 1.293 20 30 BDEDLO CC1(CO)C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205455744 967631896 /nfs/dbraw/zinc/63/18/96/967631896.db2.gz RHRAFODVMJSXGX-UHFFFAOYSA-N 1 2 234.274 1.512 20 30 BDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CO)C2)c1 ZINC000084988833 967642426 /nfs/dbraw/zinc/64/24/26/967642426.db2.gz AVPAOSVFALYCTH-UHFFFAOYSA-N 1 2 220.247 1.121 20 30 BDEDLO CCOC(=O)c1cc(C[NH2+]CCC#N)[nH]c1C ZINC000449290834 967684993 /nfs/dbraw/zinc/68/49/93/967684993.db2.gz ZDCXQDYFLKCGFF-UHFFFAOYSA-N 1 2 235.287 1.503 20 30 BDEDLO N#CCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001143196730 967821857 /nfs/dbraw/zinc/82/18/57/967821857.db2.gz GPKHHSYYJSPTGM-UHFFFAOYSA-N 1 2 232.287 1.350 20 30 BDEDLO C#CCCCNc1cc[nH+]c(OCCOC)c1 ZINC001162446860 967841202 /nfs/dbraw/zinc/84/12/02/967841202.db2.gz UPJQEHYIXLPUBF-UHFFFAOYSA-N 1 2 234.299 1.932 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccncc2C)CC1 ZINC001205862632 967858873 /nfs/dbraw/zinc/85/88/73/967858873.db2.gz IQABKOZDKHJRCH-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C(C)C)C1 ZINC001494455201 968021723 /nfs/dbraw/zinc/02/17/23/968021723.db2.gz CTOSGYYQMWIHMQ-LLVKDONJSA-N 1 2 224.348 1.655 20 30 BDEDLO CC[C@H]1C[C@@H](C=[NH+]n2nnc(C)c2C)CCO1 ZINC001119299306 968319056 /nfs/dbraw/zinc/31/90/56/968319056.db2.gz QFHZDJLRCZQNRJ-RYUDHWBXSA-N 1 2 236.319 1.934 20 30 BDEDLO C=CCN1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC001206851713 968498739 /nfs/dbraw/zinc/49/87/39/968498739.db2.gz BWYPPHZIJOVKTC-UHFFFAOYSA-N 1 2 231.343 1.694 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2ncccn2)CC1 ZINC001207015504 968550535 /nfs/dbraw/zinc/55/05/35/968550535.db2.gz YCOWVUOVIFVWGC-LLVKDONJSA-N 1 2 216.288 1.602 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ncccn2)CC1 ZINC001207015504 968550543 /nfs/dbraw/zinc/55/05/43/968550543.db2.gz YCOWVUOVIFVWGC-LLVKDONJSA-N 1 2 216.288 1.602 20 30 BDEDLO Cc1nccc(C[NH+]2CC(CC#N)C2)n1 ZINC001207163413 968671485 /nfs/dbraw/zinc/67/14/85/968671485.db2.gz SDJJSZUBSKUTAE-UHFFFAOYSA-N 1 2 202.261 1.131 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001252572004 968822156 /nfs/dbraw/zinc/82/21/56/968822156.db2.gz MDXUXMHGYBCJRQ-NHCYSSNCSA-N 1 2 229.320 1.101 20 30 BDEDLO C=CCC[C@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252613258 968870859 /nfs/dbraw/zinc/87/08/59/968870859.db2.gz XWIHJIIXOGMXTG-JTQLQIEISA-N 1 2 239.319 1.610 20 30 BDEDLO C=C[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001253567934 969240409 /nfs/dbraw/zinc/24/04/09/969240409.db2.gz WHFOPTPKWWEMDK-HUUCEWRRSA-N 1 2 246.354 1.522 20 30 BDEDLO C=C[C@@H](O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001253567934 969240417 /nfs/dbraw/zinc/24/04/17/969240417.db2.gz WHFOPTPKWWEMDK-HUUCEWRRSA-N 1 2 246.354 1.522 20 30 BDEDLO C=C[C@@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001253586022 969268583 /nfs/dbraw/zinc/26/85/83/969268583.db2.gz FZDMNAGGAIUDHP-CYBMUJFWSA-N 1 2 249.310 1.209 20 30 BDEDLO C=C[C@@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001253586022 969268595 /nfs/dbraw/zinc/26/85/95/969268595.db2.gz FZDMNAGGAIUDHP-CYBMUJFWSA-N 1 2 249.310 1.209 20 30 BDEDLO C=C[C@@H](O)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001253590797 969280148 /nfs/dbraw/zinc/28/01/48/969280148.db2.gz XXKVFLGMQKCVDA-CQSZACIVSA-N 1 2 243.310 1.890 20 30 BDEDLO CC(C)C[C@H](C#N)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987745 969345768 /nfs/dbraw/zinc/34/57/68/969345768.db2.gz JYVZGOXVQMRWOY-QJPTWQEYSA-N 1 2 239.319 1.960 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCSC2=O)C1 ZINC001254635650 969753926 /nfs/dbraw/zinc/75/39/26/969753926.db2.gz HKLUMINLPXCUOH-HLTSFMKQSA-N 1 2 210.302 1.300 20 30 BDEDLO CC[N@H+](CC(=O)OC)[C@H]1CC[C@@H](C#N)C1 ZINC001254680520 969778553 /nfs/dbraw/zinc/77/85/53/969778553.db2.gz WSOKDHPZSPVIPV-ZJUUUORDSA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@@H+](CC(=O)OC)[C@H]1CC[C@@H](C#N)C1 ZINC001254680520 969778559 /nfs/dbraw/zinc/77/85/59/969778559.db2.gz WSOKDHPZSPVIPV-ZJUUUORDSA-N 1 2 210.277 1.174 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001254674860 969779688 /nfs/dbraw/zinc/77/96/88/969779688.db2.gz COSJSKUDQJWFNY-WDEREUQCSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCn3nccc3C2)C1 ZINC001254674860 969779692 /nfs/dbraw/zinc/77/96/92/969779692.db2.gz COSJSKUDQJWFNY-WDEREUQCSA-N 1 2 216.288 1.391 20 30 BDEDLO C#Cc1cc(Nc2cnc(C#N)c(C)c2)cc[nH+]1 ZINC001210200845 969829975 /nfs/dbraw/zinc/82/99/75/969829975.db2.gz AUUIQCBDRCHNPC-UHFFFAOYSA-N 1 2 234.262 1.804 20 30 BDEDLO C#CC[C@H](CC)OCC[NH+]1CCOCC1 ZINC001210224726 969834640 /nfs/dbraw/zinc/83/46/40/969834640.db2.gz FPKWZRZJYNCCBS-LBPRGKRZSA-N 1 2 211.305 1.137 20 30 BDEDLO Cc1[nH+]cc(Nc2cccnc2C#N)cc1N ZINC001210286676 969854795 /nfs/dbraw/zinc/85/47/95/969854795.db2.gz CJVCLYNCGVATGX-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cncnc1 ZINC001255154394 969958711 /nfs/dbraw/zinc/95/87/11/969958711.db2.gz BZVUAWGJQSUTRU-MWLCHTKSSA-N 1 2 204.277 1.819 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCOC2(CCOCC2)C1 ZINC001255175382 969994245 /nfs/dbraw/zinc/99/42/45/969994245.db2.gz OOAAUPDZJNEMRJ-LBPRGKRZSA-N 1 2 238.331 1.560 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCOC2(CCOCC2)C1 ZINC001255175382 969994249 /nfs/dbraw/zinc/99/42/49/969994249.db2.gz OOAAUPDZJNEMRJ-LBPRGKRZSA-N 1 2 238.331 1.560 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CCCCC)CC1 ZINC001112617077 970124110 /nfs/dbraw/zinc/12/41/10/970124110.db2.gz QVEVMYJWGGEMFE-UHFFFAOYSA-N 1 2 236.359 1.734 20 30 BDEDLO C#Cc1cc(Nc2cnn3ccccc23)cc[nH+]1 ZINC001211091003 970142471 /nfs/dbraw/zinc/14/24/71/970142471.db2.gz OUEDGIIYDDCHHB-UHFFFAOYSA-N 1 2 234.262 1.876 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC001112683665 970147960 /nfs/dbraw/zinc/14/79/60/970147960.db2.gz NBHQVZIBAWGCNE-CYBMUJFWSA-N 1 2 238.375 1.999 20 30 BDEDLO C=CCCC(=O)N1CC[NH+](CC=C)CC1 ZINC001112685816 970153490 /nfs/dbraw/zinc/15/34/90/970153490.db2.gz HFNFDWCWBKZGKD-UHFFFAOYSA-N 1 2 208.305 1.283 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001112727452 970157976 /nfs/dbraw/zinc/15/79/76/970157976.db2.gz JIGCTKYWBGVEOQ-GFCCVEGCSA-N 1 2 224.348 1.753 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000301043132 970309194 /nfs/dbraw/zinc/30/91/94/970309194.db2.gz LDLGOWGQLGZLGD-VHSXEESVSA-N 1 2 213.321 1.986 20 30 BDEDLO CN(c1ccc(N)c(C#N)c1)c1[nH+]cccc1N ZINC001213426875 970309700 /nfs/dbraw/zinc/30/97/00/970309700.db2.gz BYTRDPJTCFMQTL-UHFFFAOYSA-N 1 2 239.282 1.886 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000177876607 970404438 /nfs/dbraw/zinc/40/44/38/970404438.db2.gz QWXWJVNDYMQOOB-UHFFFAOYSA-N 1 2 232.302 1.577 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000177876607 970404442 /nfs/dbraw/zinc/40/44/42/970404442.db2.gz QWXWJVNDYMQOOB-UHFFFAOYSA-N 1 2 232.302 1.577 20 30 BDEDLO COc1cc(C[NH+]2CCC(C#N)CC2)sn1 ZINC000401079778 970657233 /nfs/dbraw/zinc/65/72/33/970657233.db2.gz MRZQXROTUFWQPF-UHFFFAOYSA-N 1 2 237.328 1.887 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CCCO)CC1 ZINC000401138284 970660537 /nfs/dbraw/zinc/66/05/37/970660537.db2.gz LHZBWYDVXVQMHO-LBPRGKRZSA-N 1 2 241.331 1.199 20 30 BDEDLO CCC1=C(OCc2c[nH+]cn2C)C(=O)[C@H](C)O1 ZINC001222593984 972592718 /nfs/dbraw/zinc/59/27/18/972592718.db2.gz AVCDWNJWDDPRSP-QMMMGPOBSA-N 1 2 236.271 1.546 20 30 BDEDLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144163617 972621387 /nfs/dbraw/zinc/62/13/87/972621387.db2.gz NAAOUNHARAOGTF-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC001144163617 972621395 /nfs/dbraw/zinc/62/13/95/972621395.db2.gz NAAOUNHARAOGTF-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)(C#N)CC(=O)NCCCCn1cc[nH+]c1 ZINC001144213840 972682184 /nfs/dbraw/zinc/68/21/84/972682184.db2.gz HWULBEJYRGNTSE-UHFFFAOYSA-N 1 2 248.330 1.719 20 30 BDEDLO CC(C)C1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001246590170 972997994 /nfs/dbraw/zinc/99/79/94/972997994.db2.gz BCXTWXIIICTVQF-JXQTWKCFSA-N 1 2 235.375 1.999 20 30 BDEDLO C#CC[N@@H+](Cc1nc(C)c[nH]1)CC1CC1 ZINC001329159156 973529319 /nfs/dbraw/zinc/52/93/19/973529319.db2.gz YVAOWRROJCYEFO-UHFFFAOYSA-N 1 2 203.289 1.563 20 30 BDEDLO C#CC[N@H+](Cc1nc(C)c[nH]1)CC1CC1 ZINC001329159156 973529336 /nfs/dbraw/zinc/52/93/36/973529336.db2.gz YVAOWRROJCYEFO-UHFFFAOYSA-N 1 2 203.289 1.563 20 30 BDEDLO COC(=O)[C@H]1C[C@@H]1CNc1cc(CC#N)cc[nH+]1 ZINC001161040751 973632808 /nfs/dbraw/zinc/63/28/08/973632808.db2.gz GHBRVMDCGXBWBV-MNOVXSKESA-N 1 2 245.282 1.369 20 30 BDEDLO CCOC(=O)C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172298698 974567191 /nfs/dbraw/zinc/56/71/91/974567191.db2.gz CTJYPLMJANPVIO-LLVKDONJSA-N 1 2 246.310 1.642 20 30 BDEDLO N#CCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001331478880 974738154 /nfs/dbraw/zinc/73/81/54/974738154.db2.gz OJIDRTGKBOJHPY-VIFPVBQESA-N 1 2 218.260 1.138 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1cccc(F)c1C#N ZINC001331689017 974791130 /nfs/dbraw/zinc/79/11/30/974791130.db2.gz ITYGHSSCJVZAGB-NSHDSACASA-N 1 2 234.274 1.988 20 30 BDEDLO CCCOC(=O)C[NH2+][C@H](C)CCCC#N ZINC001172492856 974838846 /nfs/dbraw/zinc/83/88/46/974838846.db2.gz PDMMFQHMKJFYBP-SNVBAGLBSA-N 1 2 212.293 1.612 20 30 BDEDLO COC(=O)[C@H]1CCC[C@@H]([N@H+](C)CC#N)CC1 ZINC001172792533 974942882 /nfs/dbraw/zinc/94/28/82/974942882.db2.gz SBVJKERQOZECFG-WDEREUQCSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)CC#N)CC1 ZINC001172792533 974942890 /nfs/dbraw/zinc/94/28/90/974942890.db2.gz SBVJKERQOZECFG-WDEREUQCSA-N 1 2 224.304 1.564 20 30 BDEDLO Cc1ccc(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001226756504 975061149 /nfs/dbraw/zinc/06/11/49/975061149.db2.gz RARMCOHDRQIPPY-ZDUSSCGKSA-N 1 2 246.310 1.576 20 30 BDEDLO Cc1ccc(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001226756504 975061154 /nfs/dbraw/zinc/06/11/54/975061154.db2.gz RARMCOHDRQIPPY-ZDUSSCGKSA-N 1 2 246.310 1.576 20 30 BDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC)C2 ZINC001095073167 975075387 /nfs/dbraw/zinc/07/53/87/975075387.db2.gz MOHIXBVAUSYVRK-VWYCJHECSA-N 1 2 242.750 1.870 20 30 BDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC)C2 ZINC001095073167 975075392 /nfs/dbraw/zinc/07/53/92/975075392.db2.gz MOHIXBVAUSYVRK-VWYCJHECSA-N 1 2 242.750 1.870 20 30 BDEDLO Cc1nnc(CC[N@@H+](C)[C@H](C)CC#N)o1 ZINC001332670908 975245470 /nfs/dbraw/zinc/24/54/70/975245470.db2.gz XRZVYPLQUOWNCB-MRVPVSSYSA-N 1 2 208.265 1.155 20 30 BDEDLO Cc1nnc(CC[N@H+](C)[C@H](C)CC#N)o1 ZINC001332670908 975245478 /nfs/dbraw/zinc/24/54/78/975245478.db2.gz XRZVYPLQUOWNCB-MRVPVSSYSA-N 1 2 208.265 1.155 20 30 BDEDLO Cc1nnc(CC[N@@H+](C)[C@@H](C)CC#N)o1 ZINC001332670909 975246360 /nfs/dbraw/zinc/24/63/60/975246360.db2.gz XRZVYPLQUOWNCB-QMMMGPOBSA-N 1 2 208.265 1.155 20 30 BDEDLO Cc1nnc(CC[N@H+](C)[C@@H](C)CC#N)o1 ZINC001332670909 975246369 /nfs/dbraw/zinc/24/63/69/975246369.db2.gz XRZVYPLQUOWNCB-QMMMGPOBSA-N 1 2 208.265 1.155 20 30 BDEDLO Cc1cc[nH+]c(C)c1O[C@@H]1C=CC(=O)C1 ZINC001227266332 975342516 /nfs/dbraw/zinc/34/25/16/975342516.db2.gz ZYAIBGRMSPSCRF-LLVKDONJSA-N 1 2 203.241 1.975 20 30 BDEDLO Cn1cnc2cc(C[N@H+](C)CCC#N)ccc21 ZINC000258990391 975370815 /nfs/dbraw/zinc/37/08/15/975370815.db2.gz XMIVXDSTYILHRC-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO Cn1cnc2cc(C[N@@H+](C)CCC#N)ccc21 ZINC000258990391 975370821 /nfs/dbraw/zinc/37/08/21/975370821.db2.gz XMIVXDSTYILHRC-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO CC1(C#N)CCC([N@@H+]2CCC(=O)C2)CC1 ZINC001173599258 975469091 /nfs/dbraw/zinc/46/90/91/975469091.db2.gz IVYGIQUIGAXMHH-UHFFFAOYSA-N 1 2 206.289 1.734 20 30 BDEDLO CC1(C#N)CCC([N@H+]2CCC(=O)C2)CC1 ZINC001173599258 975469106 /nfs/dbraw/zinc/46/91/06/975469106.db2.gz IVYGIQUIGAXMHH-UHFFFAOYSA-N 1 2 206.289 1.734 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001333627815 975908664 /nfs/dbraw/zinc/90/86/64/975908664.db2.gz MXQIOBAAVPXZFY-SECBINFHSA-N 1 2 207.277 1.525 20 30 BDEDLO C#Cc1cc(Nc2cncc(F)c2)cc[nH+]1 ZINC001174289859 976454242 /nfs/dbraw/zinc/45/42/42/976454242.db2.gz SABGVPITFZYACK-UHFFFAOYSA-N 1 2 213.215 1.763 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1nn(CC)nc1C ZINC001334388609 976485357 /nfs/dbraw/zinc/48/53/57/976485357.db2.gz YLLRTGAODNVNJI-MWLCHTKSSA-N 1 2 238.335 1.458 20 30 BDEDLO C#Cc1cc(Nc2cnn(CC)c2)cc[nH+]1 ZINC001174566451 976881823 /nfs/dbraw/zinc/88/18/23/976881823.db2.gz OYLQNWPAMIAKLE-UHFFFAOYSA-N 1 2 212.256 1.445 20 30 BDEDLO C#Cc1cc(Nc2ccncc2F)cc[nH+]1 ZINC001175196421 977292699 /nfs/dbraw/zinc/29/26/99/977292699.db2.gz CGZZTVQUTIDOFG-UHFFFAOYSA-N 1 2 213.215 1.763 20 30 BDEDLO C#Cc1cc(Nc2cncs2)cc[nH+]1 ZINC001175496217 977451477 /nfs/dbraw/zinc/45/14/77/977451477.db2.gz XPVOSOLQPMDUPG-UHFFFAOYSA-N 1 2 201.254 1.685 20 30 BDEDLO C=CCC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001336237394 977590912 /nfs/dbraw/zinc/59/09/12/977590912.db2.gz AZZLBSBSJFSSAK-NSHDSACASA-N 1 2 233.315 1.909 20 30 BDEDLO COc1cc(C[N@@H+]2CC[C@H](C#N)C2)c(O)cc1O ZINC001231638394 977661948 /nfs/dbraw/zinc/66/19/48/977661948.db2.gz ZDCBCFMYPPKFDA-SECBINFHSA-N 1 2 248.282 1.452 20 30 BDEDLO COc1cc(C[N@H+]2CC[C@H](C#N)C2)c(O)cc1O ZINC001231638394 977661955 /nfs/dbraw/zinc/66/19/55/977661955.db2.gz ZDCBCFMYPPKFDA-SECBINFHSA-N 1 2 248.282 1.452 20 30 BDEDLO C#Cc1cccc(C[NH+]2CC(C)(OC)C2)c1 ZINC001231658432 977670645 /nfs/dbraw/zinc/67/06/45/977670645.db2.gz WLBDZFZIHMGZLN-UHFFFAOYSA-N 1 2 215.296 1.889 20 30 BDEDLO COc1cnc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC001231935253 977804218 /nfs/dbraw/zinc/80/42/18/977804218.db2.gz DGPXUSPIKCDGKA-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO COc1cc[nH+]c(CN2CCCC[C@@H]2C#N)c1 ZINC001231968615 977814145 /nfs/dbraw/zinc/81/41/45/977814145.db2.gz OXMYHVQRJMBFLB-GFCCVEGCSA-N 1 2 231.299 1.968 20 30 BDEDLO C#Cc1cc(NC2=CCOCC2)cc[nH+]1 ZINC001176139489 977916808 /nfs/dbraw/zinc/91/68/08/977916808.db2.gz SYPRTXGPLRSDSF-UHFFFAOYSA-N 1 2 200.241 1.201 20 30 BDEDLO C=CC[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OCC ZINC001336754867 977922319 /nfs/dbraw/zinc/92/23/19/977922319.db2.gz MFSOTCVRHKOOAC-LLVKDONJSA-N 1 2 241.331 1.653 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@H](CCC)OC)C(=O)OC ZINC001336758210 977928864 /nfs/dbraw/zinc/92/88/64/977928864.db2.gz PTFHOXNWRZQLSP-RYUDHWBXSA-N 1 2 243.347 1.899 20 30 BDEDLO C=C(CO)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001595394823 978050057 /nfs/dbraw/zinc/05/00/57/978050057.db2.gz APUIAEKCLOQXKR-UHFFFAOYSA-N 1 2 243.266 1.359 20 30 BDEDLO N#Cc1ccnc(C[NH+]2CCSCC2)c1 ZINC001232476959 978129862 /nfs/dbraw/zinc/12/98/62/978129862.db2.gz FRBFRICTDYDZDG-UHFFFAOYSA-N 1 2 219.313 1.502 20 30 BDEDLO N#Cc1ccnc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001232482464 978134116 /nfs/dbraw/zinc/13/41/16/978134116.db2.gz VAXXNPPIXMRXQS-ZDUSSCGKSA-N 1 2 229.283 1.318 20 30 BDEDLO N#Cc1ccnc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001232482464 978134120 /nfs/dbraw/zinc/13/41/20/978134120.db2.gz VAXXNPPIXMRXQS-ZDUSSCGKSA-N 1 2 229.283 1.318 20 30 BDEDLO CC(C)(S)CNC(=O)CCn1cc[nH+]c1 ZINC001176883126 978228526 /nfs/dbraw/zinc/22/85/26/978228526.db2.gz CPPOHPAJJOEUOW-UHFFFAOYSA-N 1 2 227.333 1.098 20 30 BDEDLO COCC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232674135 978229521 /nfs/dbraw/zinc/22/95/21/978229521.db2.gz RNYFCJSXQQWVAQ-UHFFFAOYSA-N 1 2 220.272 1.342 20 30 BDEDLO COCC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232674135 978229535 /nfs/dbraw/zinc/22/95/35/978229535.db2.gz RNYFCJSXQQWVAQ-UHFFFAOYSA-N 1 2 220.272 1.342 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@H](C)O1 ZINC001232673961 978237666 /nfs/dbraw/zinc/23/76/66/978237666.db2.gz OSQIGWNQMWPYGE-PHIMTYICSA-N 1 2 246.310 1.873 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@H](C)O1 ZINC001232673961 978237673 /nfs/dbraw/zinc/23/76/73/978237673.db2.gz OSQIGWNQMWPYGE-PHIMTYICSA-N 1 2 246.310 1.873 20 30 BDEDLO CC[N@H+](Cc1cc(C#N)ccc1O)CC(C)(C)O ZINC001232678586 978238621 /nfs/dbraw/zinc/23/86/21/978238621.db2.gz IWIXAVIDBZLGJK-UHFFFAOYSA-N 1 2 248.326 1.857 20 30 BDEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)CC(C)(C)O ZINC001232678586 978238630 /nfs/dbraw/zinc/23/86/30/978238630.db2.gz IWIXAVIDBZLGJK-UHFFFAOYSA-N 1 2 248.326 1.857 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232675656 978241138 /nfs/dbraw/zinc/24/11/38/978241138.db2.gz RUCJAUNNFHFAHG-ZANVPECISA-N 1 2 232.283 1.076 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232675656 978241150 /nfs/dbraw/zinc/24/11/50/978241150.db2.gz RUCJAUNNFHFAHG-ZANVPECISA-N 1 2 232.283 1.076 20 30 BDEDLO N#Cc1ccc(F)cc1C[NH+]1CC(C2COC2)C1 ZINC001232888963 978325223 /nfs/dbraw/zinc/32/52/23/978325223.db2.gz VXZGZCVFXAMEKB-UHFFFAOYSA-N 1 2 246.285 1.776 20 30 BDEDLO C[C@@H](C(=O)N1CCC(CC#N)CC1)n1cc[nH+]c1 ZINC001337566185 978410272 /nfs/dbraw/zinc/41/02/72/978410272.db2.gz GIHBLTOEFIUMHE-NSHDSACASA-N 1 2 246.314 1.596 20 30 BDEDLO CC[C@H](C#N)N(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001337581720 978415320 /nfs/dbraw/zinc/41/53/20/978415320.db2.gz WGCFQVJATJXNLY-VXGBXAGGSA-N 1 2 248.330 1.985 20 30 BDEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)OCCO2 ZINC001233043467 978426729 /nfs/dbraw/zinc/42/67/29/978426729.db2.gz JLHGTXINGSKUOW-UHFFFAOYSA-N 1 2 247.298 1.225 20 30 BDEDLO C[C@H](C(=O)N1CCCC[C@H]1C#N)n1cc[nH+]c1 ZINC001177922793 978472364 /nfs/dbraw/zinc/47/23/64/978472364.db2.gz YDBTWQPCMHTXBP-MNOVXSKESA-N 1 2 232.287 1.349 20 30 BDEDLO CCCCN(CC#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177922397 978474354 /nfs/dbraw/zinc/47/43/54/978474354.db2.gz SKFIQCVWRUZXHK-LLVKDONJSA-N 1 2 234.303 1.596 20 30 BDEDLO N#Cc1cc[nH]c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177994187 978496179 /nfs/dbraw/zinc/49/61/79/978496179.db2.gz SIDWTUQALFQKCI-UHFFFAOYSA-N 1 2 229.243 1.181 20 30 BDEDLO CC1(C#N)CCN(c2cc(N)nc[nH+]2)CC1 ZINC001337833273 978518164 /nfs/dbraw/zinc/51/81/64/978518164.db2.gz SYCXBXZBSQRMQX-UHFFFAOYSA-N 1 2 217.276 1.189 20 30 BDEDLO N#C[C@@H]1CCCN1Cc1cccc(N)[nH+]1 ZINC001233369027 978585068 /nfs/dbraw/zinc/58/50/68/978585068.db2.gz VFFFUPYRVJGHIW-JTQLQIEISA-N 1 2 202.261 1.152 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001233383752 978595428 /nfs/dbraw/zinc/59/54/28/978595428.db2.gz UWIUJXPBWXDXFL-BETUJISGSA-N 1 2 244.294 1.627 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001233383752 978595432 /nfs/dbraw/zinc/59/54/32/978595432.db2.gz UWIUJXPBWXDXFL-BETUJISGSA-N 1 2 244.294 1.627 20 30 BDEDLO C#Cc1ccc(OC2C[NH+](CC)C2)nc1 ZINC001233968228 978743262 /nfs/dbraw/zinc/74/32/62/978743262.db2.gz WBTMYPNYYONONU-UHFFFAOYSA-N 1 2 202.257 1.146 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001339171680 978810054 /nfs/dbraw/zinc/81/00/54/978810054.db2.gz CJQDXSFZZKYFSP-ZJUUUORDSA-N 1 2 207.277 1.525 20 30 BDEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001339203015 978816575 /nfs/dbraw/zinc/81/65/75/978816575.db2.gz MITHDZOLOHMYGR-NSHDSACASA-N 1 2 249.362 1.594 20 30 BDEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001339203015 978816577 /nfs/dbraw/zinc/81/65/77/978816577.db2.gz MITHDZOLOHMYGR-NSHDSACASA-N 1 2 249.362 1.594 20 30 BDEDLO CCc1cccc(C[NH+]2CC(CC#N)C2)n1 ZINC001235251488 979005986 /nfs/dbraw/zinc/00/59/86/979005986.db2.gz USWPQTLCKNZSIH-UHFFFAOYSA-N 1 2 215.300 1.989 20 30 BDEDLO Cc1[nH+]cn(C)c1CN1CCCC[C@H]1C#N ZINC001235552848 979092284 /nfs/dbraw/zinc/09/22/84/979092284.db2.gz KXNIJIRAYDQNPK-NSHDSACASA-N 1 2 218.304 1.607 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(F)nc2C)CC1 ZINC001235817789 979160465 /nfs/dbraw/zinc/16/04/65/979160465.db2.gz SRIDGYJJVMCZTK-UHFFFAOYSA-N 1 2 247.317 1.280 20 30 BDEDLO C[C@H](C(=O)NC1C[NH+](C)C1)c1ccc(C#N)cc1 ZINC001182797137 979640856 /nfs/dbraw/zinc/64/08/56/979640856.db2.gz BWSKLTHKAGAVHH-JTQLQIEISA-N 1 2 243.310 1.092 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC001342228228 979716602 /nfs/dbraw/zinc/71/66/02/979716602.db2.gz IMXBLMNABUBPFK-NSHDSACASA-N 1 2 241.331 1.605 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC001342228228 979716613 /nfs/dbraw/zinc/71/66/13/979716613.db2.gz IMXBLMNABUBPFK-NSHDSACASA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC(C)(C)NC(=O)CCc1c[nH+]cn1C ZINC001343498644 980131664 /nfs/dbraw/zinc/13/16/64/980131664.db2.gz RVMNOGWAXXAONH-UHFFFAOYSA-N 1 2 221.304 1.434 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cnccn1 ZINC001331486380 980290259 /nfs/dbraw/zinc/29/02/59/980290259.db2.gz SFKDRJLYHVIDOP-SNVBAGLBSA-N 1 2 239.282 1.594 20 30 BDEDLO Cn1c[nH+]cc1CCCOC(=O)CC1(C#N)CC1 ZINC001345060004 980537275 /nfs/dbraw/zinc/53/72/75/980537275.db2.gz MSICNKQYTUWLLE-UHFFFAOYSA-N 1 2 247.298 1.590 20 30 BDEDLO C#CCNC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190100269 980846329 /nfs/dbraw/zinc/84/63/29/980846329.db2.gz QSAOLGKEUQGKOI-UHFFFAOYSA-N 1 2 225.251 1.235 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nnc(CC)[nH]1 ZINC001347103606 980970786 /nfs/dbraw/zinc/97/07/86/980970786.db2.gz CNYWBWLJWXTRHV-JTQLQIEISA-N 1 2 232.331 1.773 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nnc(CC)[nH]1 ZINC001347103606 980970788 /nfs/dbraw/zinc/97/07/88/980970788.db2.gz CNYWBWLJWXTRHV-JTQLQIEISA-N 1 2 232.331 1.773 20 30 BDEDLO Cc1ccc2[nH+]cc(CN(C)CC#N)n2c1 ZINC000158247278 981142606 /nfs/dbraw/zinc/14/26/06/981142606.db2.gz PLYBGVSVOWBVBA-UHFFFAOYSA-N 1 2 214.272 1.598 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(C)c1Cl)CC1CC1 ZINC001347703167 981148789 /nfs/dbraw/zinc/14/87/89/981148789.db2.gz ZQUZYWVGQBFCNI-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C#CC[N@H+](Cc1cnn(C)c1Cl)CC1CC1 ZINC001347703167 981148799 /nfs/dbraw/zinc/14/87/99/981148799.db2.gz ZQUZYWVGQBFCNI-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1F ZINC001203757155 981159731 /nfs/dbraw/zinc/15/97/31/981159731.db2.gz IUIXRMKJKOHZSD-QWHCGFSZSA-N 1 2 234.274 1.727 20 30 BDEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1F ZINC001203757155 981159734 /nfs/dbraw/zinc/15/97/34/981159734.db2.gz IUIXRMKJKOHZSD-QWHCGFSZSA-N 1 2 234.274 1.727 20 30 BDEDLO C#CCN(C(=O)CCc1[nH+]ccn1C)C(C)C ZINC001348360073 981344221 /nfs/dbraw/zinc/34/42/21/981344221.db2.gz YAJIARSBVVRIKF-UHFFFAOYSA-N 1 2 233.315 1.223 20 30 BDEDLO N#CCC1(O)C[NH+](CCCC2CCCC2)C1 ZINC001193713822 981428088 /nfs/dbraw/zinc/42/80/88/981428088.db2.gz JOHCZFASNRBESJ-UHFFFAOYSA-N 1 2 222.332 1.917 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCCc1[nH+]ccn1C ZINC001349297765 981527905 /nfs/dbraw/zinc/52/79/05/981527905.db2.gz KAEKKGOAGBIMCS-LLVKDONJSA-N 1 2 235.331 1.681 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001351239534 982241877 /nfs/dbraw/zinc/24/18/77/982241877.db2.gz WRDNBRPUWARCNK-JTQLQIEISA-N 1 2 207.277 1.479 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CCC(C)C)CC1 ZINC000159518032 982299026 /nfs/dbraw/zinc/29/90/26/982299026.db2.gz HPJUDLCEZQODLG-UHFFFAOYSA-N 1 2 236.359 1.590 20 30 BDEDLO C=CCO[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC001352011729 982437933 /nfs/dbraw/zinc/43/79/33/982437933.db2.gz KLSVAAXXVJSIKI-NSHDSACASA-N 1 2 248.330 1.324 20 30 BDEDLO C=CCO[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC001352011729 982437939 /nfs/dbraw/zinc/43/79/39/982437939.db2.gz KLSVAAXXVJSIKI-NSHDSACASA-N 1 2 248.330 1.324 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC001589786824 982881488 /nfs/dbraw/zinc/88/14/88/982881488.db2.gz DYPUIUCPRSSRSJ-SSDOTTSWSA-N 1 2 248.315 1.320 20 30 BDEDLO C=CC[NH+]1CCN(C(=S)NCCCC)CC1 ZINC001200452450 983010519 /nfs/dbraw/zinc/01/05/19/983010519.db2.gz XXABCWHQQILPRU-UHFFFAOYSA-N 1 2 241.404 1.465 20 30 BDEDLO N#Cc1ncc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201276594 983175448 /nfs/dbraw/zinc/17/54/48/983175448.db2.gz XDGLHVJDSCLNQJ-UHFFFAOYSA-N 1 2 212.216 1.069 20 30 BDEDLO C#Cc1nccnc1Nc1ccc(N)[nH+]c1 ZINC001201275860 983177231 /nfs/dbraw/zinc/17/72/31/983177231.db2.gz LKLNMHSNMODKHQ-UHFFFAOYSA-N 1 2 211.228 1.179 20 30 BDEDLO Cc1cc(NCC2(C#N)CCOCC2)nc(N)[nH+]1 ZINC001354312848 983277220 /nfs/dbraw/zinc/27/72/20/983277220.db2.gz HCRQSTXODDGHRF-UHFFFAOYSA-N 1 2 247.302 1.100 20 30 BDEDLO Cc1nnc(CC[N@@H+](C)C[C@@H](C)C#N)o1 ZINC001354407948 983300176 /nfs/dbraw/zinc/30/01/76/983300176.db2.gz SUFQMDOCIILTET-QMMMGPOBSA-N 1 2 208.265 1.012 20 30 BDEDLO Cc1nnc(CC[N@H+](C)C[C@@H](C)C#N)o1 ZINC001354407948 983300183 /nfs/dbraw/zinc/30/01/83/983300183.db2.gz SUFQMDOCIILTET-QMMMGPOBSA-N 1 2 208.265 1.012 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1cnc(C#N)cn1 ZINC001242070534 983302891 /nfs/dbraw/zinc/30/28/91/983302891.db2.gz BCIKAICVLKDMRG-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001588662521 983789754 /nfs/dbraw/zinc/78/97/54/983789754.db2.gz AZQCLWGTZJSSDN-VHSXEESVSA-N 1 2 235.287 1.228 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001588662521 983789755 /nfs/dbraw/zinc/78/97/55/983789755.db2.gz AZQCLWGTZJSSDN-VHSXEESVSA-N 1 2 235.287 1.228 20 30 BDEDLO C=C(C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC001357900151 983798622 /nfs/dbraw/zinc/79/86/22/983798622.db2.gz ZTCSPTDJOMBJLP-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001252575769 983829499 /nfs/dbraw/zinc/82/94/99/983829499.db2.gz FTHOTRGUMGNBNQ-GVXVVHGQSA-N 1 2 243.347 1.491 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001252617578 983852546 /nfs/dbraw/zinc/85/25/46/983852546.db2.gz GEWGWNBTWMUBHD-NEPJUHHUSA-N 1 2 243.347 1.635 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001253566373 984226347 /nfs/dbraw/zinc/22/63/47/984226347.db2.gz YVCXXAVKLUEZDP-VXGBXAGGSA-N 1 2 241.331 1.245 20 30 BDEDLO C#CCO[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001437910796 984362312 /nfs/dbraw/zinc/36/23/12/984362312.db2.gz QATCDSDKVIUAPD-JTQLQIEISA-N 1 2 243.266 1.311 20 30 BDEDLO C#C[C@@H](CO)[NH2+]Cc1cccc(O)c1Cl ZINC000718183993 984403949 /nfs/dbraw/zinc/40/39/49/984403949.db2.gz JBJFLFWLOMBAGO-VIFPVBQESA-N 1 2 225.675 1.129 20 30 BDEDLO COC(=O)c1ccc(-c2c[nH+]cn2C)cc1C#N ZINC001243069813 984494064 /nfs/dbraw/zinc/49/40/64/984494064.db2.gz YUHGEDKBUJGBOQ-UHFFFAOYSA-N 1 2 241.250 1.745 20 30 BDEDLO CN1CCC12C[NH+](Cc1ccccc1CC#N)C2 ZINC001276242575 984834547 /nfs/dbraw/zinc/83/45/47/984834547.db2.gz OAIAINYQZDNFLL-UHFFFAOYSA-N 1 2 241.338 1.643 20 30 BDEDLO N#CCc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001449725908 984843239 /nfs/dbraw/zinc/84/32/39/984843239.db2.gz KNMBCCKYEGHZAT-UHFFFAOYSA-N 1 2 240.266 1.657 20 30 BDEDLO COc1ccc(-c2c[nH+]cn2C)c(C#N)c1 ZINC001243725662 985247391 /nfs/dbraw/zinc/24/73/91/985247391.db2.gz KHUVVDOQNPUOLP-UHFFFAOYSA-N 1 2 213.240 1.967 20 30 BDEDLO N#Cc1cnc(N2CC(n3cc[nH+]c3)C2)c(F)c1 ZINC001458237693 985283529 /nfs/dbraw/zinc/28/35/29/985283529.db2.gz OCTUTQFLKLKSBC-UHFFFAOYSA-N 1 2 243.245 1.350 20 30 BDEDLO N#Cc1c[nH]c2ncnc(C3=C[NH2+]CCC3)c12 ZINC001243947525 985621344 /nfs/dbraw/zinc/62/13/44/985621344.db2.gz KULMRMZXAIHXKR-UHFFFAOYSA-N 1 2 225.255 1.554 20 30 BDEDLO Cc1nc(C#N)c(C#N)nc1C1=C[NH2+]CCC1 ZINC001243949977 985640926 /nfs/dbraw/zinc/64/09/26/985640926.db2.gz RBDHCGJWDUUCIW-UHFFFAOYSA-N 1 2 225.255 1.253 20 30 BDEDLO C#CC[N@H+](CC#CC)C/C=C\C(=O)OCC ZINC000688545225 985679311 /nfs/dbraw/zinc/67/93/11/985679311.db2.gz ZTSXVTIYMNZDAZ-HJWRWDBZSA-N 1 2 219.284 1.064 20 30 BDEDLO C#CC[N@@H+](CC#CC)C/C=C\C(=O)OCC ZINC000688545225 985679338 /nfs/dbraw/zinc/67/93/38/985679338.db2.gz ZTSXVTIYMNZDAZ-HJWRWDBZSA-N 1 2 219.284 1.064 20 30 BDEDLO N#Cc1ccc(-c2cc[nH+]c(N)c2)c(N)c1 ZINC001244088469 985803149 /nfs/dbraw/zinc/80/31/49/985803149.db2.gz HBHHNCZRUKXYQM-UHFFFAOYSA-N 1 2 210.240 1.785 20 30 BDEDLO C=C[C@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC001253572599 986097952 /nfs/dbraw/zinc/09/79/52/986097952.db2.gz MVCLKFUFFZJFMD-NSHDSACASA-N 1 2 248.330 1.426 20 30 BDEDLO C=C[C@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC001253572599 986097968 /nfs/dbraw/zinc/09/79/68/986097968.db2.gz MVCLKFUFFZJFMD-NSHDSACASA-N 1 2 248.330 1.426 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001253607751 986268766 /nfs/dbraw/zinc/26/87/66/986268766.db2.gz FFWUJKBMFMRAQL-ZJUUUORDSA-N 1 2 229.320 1.243 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462076562 986274331 /nfs/dbraw/zinc/27/43/31/986274331.db2.gz SUTRYCTTWNRXFH-SSDOTTSWSA-N 1 2 226.226 1.920 20 30 BDEDLO C=CC[NH+]1CCN(C(=S)NCCC)CC1 ZINC001244867521 986403768 /nfs/dbraw/zinc/40/37/68/986403768.db2.gz ICPQOHXZBVZVTF-UHFFFAOYSA-N 1 2 227.377 1.075 20 30 BDEDLO C#CC1(O)C[NH+](CC[C@H](C)c2ccccc2)C1 ZINC001462637459 986471055 /nfs/dbraw/zinc/47/10/55/986471055.db2.gz MYJFLNIDGRWJIN-ZDUSSCGKSA-N 1 2 229.323 1.860 20 30 BDEDLO CCOC(=O)C[N@H+](C1CC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254676092 986728825 /nfs/dbraw/zinc/72/88/25/986728825.db2.gz IUYBNRLERUTREM-CMPLNLGQSA-N 1 2 236.315 1.706 20 30 BDEDLO CCOC(=O)C[N@@H+](C1CC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254676092 986728835 /nfs/dbraw/zinc/72/88/35/986728835.db2.gz IUYBNRLERUTREM-CMPLNLGQSA-N 1 2 236.315 1.706 20 30 BDEDLO CC#CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001469142139 986971656 /nfs/dbraw/zinc/97/16/56/986971656.db2.gz IMCZMKXPRMIEJT-UHFFFAOYSA-N 1 2 202.257 1.338 20 30 BDEDLO Cc1ccc(C[C@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001255787156 987072191 /nfs/dbraw/zinc/07/21/91/987072191.db2.gz GYAUFTXOJOLDCH-DZGCQCFKSA-N 1 2 243.354 1.723 20 30 BDEDLO Cc1ccc(C[C@@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001255787157 987072646 /nfs/dbraw/zinc/07/26/46/987072646.db2.gz GYAUFTXOJOLDCH-HIFRSBDPSA-N 1 2 243.354 1.723 20 30 BDEDLO CNc1cc(CNc2cc(C#N)cnn2)cc[nH+]1 ZINC001472883318 987299349 /nfs/dbraw/zinc/29/93/49/987299349.db2.gz PEHBMXLRZRDHQX-UHFFFAOYSA-N 1 2 240.270 1.397 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)coc2C)CC1 ZINC001472954322 987306652 /nfs/dbraw/zinc/30/66/52/987306652.db2.gz ITGVVHOWNBACFF-UHFFFAOYSA-N 1 2 248.326 1.840 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncc(CC)o1 ZINC001116402003 987549398 /nfs/dbraw/zinc/54/93/98/987549398.db2.gz VIJIDUDDDKGCKJ-UHFFFAOYSA-N 1 2 222.288 1.319 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncc(CC)o1 ZINC001116402003 987549411 /nfs/dbraw/zinc/54/94/11/987549411.db2.gz VIJIDUDDDKGCKJ-UHFFFAOYSA-N 1 2 222.288 1.319 20 30 BDEDLO C=C(CC)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001117852494 987949327 /nfs/dbraw/zinc/94/93/27/987949327.db2.gz JLZBYALWLATGSN-JTQLQIEISA-N 1 2 207.277 1.527 20 30 BDEDLO C=C1C[C@@H]2CC([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)C[C@H](C1)C2 ZINC001246558260 987979219 /nfs/dbraw/zinc/97/92/19/987979219.db2.gz PWGKUPZHAOJDJL-QZQCMHJZSA-N 1 2 236.359 1.125 20 30 BDEDLO C=CC[N@@H+](C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001118202327 988095649 /nfs/dbraw/zinc/09/56/49/988095649.db2.gz VEOBHVZSIJTPDA-UHFFFAOYSA-N 1 2 223.276 1.204 20 30 BDEDLO C=CC[N@H+](C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001118202327 988095664 /nfs/dbraw/zinc/09/56/64/988095664.db2.gz VEOBHVZSIJTPDA-UHFFFAOYSA-N 1 2 223.276 1.204 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CCC2CCCC2)C1 ZINC001494333340 988124124 /nfs/dbraw/zinc/12/41/24/988124124.db2.gz BUOYUXYCZSRIAP-UHFFFAOYSA-N 1 2 248.370 1.781 20 30 BDEDLO C#CC[N@@H+](Cc1nonc1C)CC1CC1 ZINC001322948541 988410324 /nfs/dbraw/zinc/41/03/24/988410324.db2.gz OPULZLPJZAAIPM-UHFFFAOYSA-N 1 2 205.261 1.223 20 30 BDEDLO C#CC[N@H+](Cc1nonc1C)CC1CC1 ZINC001322948541 988410333 /nfs/dbraw/zinc/41/03/33/988410333.db2.gz OPULZLPJZAAIPM-UHFFFAOYSA-N 1 2 205.261 1.223 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001323292482 988489227 /nfs/dbraw/zinc/48/92/27/988489227.db2.gz FLSZNYUOZTYLHB-GFCCVEGCSA-N 1 2 232.327 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001323292482 988489234 /nfs/dbraw/zinc/48/92/34/988489234.db2.gz FLSZNYUOZTYLHB-GFCCVEGCSA-N 1 2 232.327 1.166 20 30 BDEDLO Cc1nocc1C[NH2+]Cc1ccc(C#N)cn1 ZINC001324555802 988871414 /nfs/dbraw/zinc/87/14/14/988871414.db2.gz VESUVJGROCBLOX-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001248748648 989141456 /nfs/dbraw/zinc/14/14/56/989141456.db2.gz QRIOHJKRPJNOJI-UONOGXRCSA-N 1 2 248.301 1.635 20 30 BDEDLO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001248748648 989141459 /nfs/dbraw/zinc/14/14/59/989141459.db2.gz QRIOHJKRPJNOJI-UONOGXRCSA-N 1 2 248.301 1.635 20 30 BDEDLO Cn1c(C[N@@H+]2CC[C@](C)(C#N)C2)cccc1=O ZINC001248809709 989171721 /nfs/dbraw/zinc/17/17/21/989171721.db2.gz HSWDWPZBOSHLEN-CYBMUJFWSA-N 1 2 231.299 1.121 20 30 BDEDLO Cn1c(C[N@H+]2CC[C@](C)(C#N)C2)cccc1=O ZINC001248809709 989171728 /nfs/dbraw/zinc/17/17/28/989171728.db2.gz HSWDWPZBOSHLEN-CYBMUJFWSA-N 1 2 231.299 1.121 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1cn(CCC)nn1 ZINC001119606164 989226849 /nfs/dbraw/zinc/22/68/49/989226849.db2.gz KXFLSXWYCXVQDP-MNOVXSKESA-N 1 2 238.335 1.540 20 30 BDEDLO Cc1cc(NC(=O)c2coc(C#N)c2)cc[nH+]1 ZINC001537535777 990505004 /nfs/dbraw/zinc/50/50/04/990505004.db2.gz VQPWOIRADBCOTD-UHFFFAOYSA-N 1 2 227.223 1.529 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N[C@]1(C#N)CC1(C)C ZINC001123788256 990667988 /nfs/dbraw/zinc/66/79/88/990667988.db2.gz RRMWIYGONBKABC-ZDUSSCGKSA-N 1 2 246.314 1.161 20 30 BDEDLO C=CCCCNC(=O)CCc1[nH+]ccn1C ZINC001123871238 990690435 /nfs/dbraw/zinc/69/04/35/990690435.db2.gz JARLKOKHYOQXDN-UHFFFAOYSA-N 1 2 221.304 1.435 20 30 BDEDLO CC[N@@H+]1CC[C@@H]1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC001544420516 990721236 /nfs/dbraw/zinc/72/12/36/990721236.db2.gz GOMOTGXTIXEYJH-YRGRVCCFSA-N 1 2 249.358 1.669 20 30 BDEDLO CC[N@H+]1CC[C@@H]1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC001544420516 990721239 /nfs/dbraw/zinc/72/12/39/990721239.db2.gz GOMOTGXTIXEYJH-YRGRVCCFSA-N 1 2 249.358 1.669 20 30 BDEDLO CC[N@@H+]1CC[C@@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC001544420506 990721741 /nfs/dbraw/zinc/72/17/41/990721741.db2.gz GOMOTGXTIXEYJH-BZPMIXESSA-N 1 2 249.358 1.669 20 30 BDEDLO CC[N@H+]1CC[C@@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC001544420506 990721747 /nfs/dbraw/zinc/72/17/47/990721747.db2.gz GOMOTGXTIXEYJH-BZPMIXESSA-N 1 2 249.358 1.669 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001544790946 990737276 /nfs/dbraw/zinc/73/72/76/990737276.db2.gz BYVRQEBZKKFGBZ-NEPJUHHUSA-N 1 2 249.314 1.123 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)c1ccsc1C#N ZINC001544898409 990738965 /nfs/dbraw/zinc/73/89/65/990738965.db2.gz VEHXFUIZRJARLH-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)CSC)C1 ZINC001567787148 990931105 /nfs/dbraw/zinc/93/11/05/990931105.db2.gz WHSIZUMDDDEVMD-SNVBAGLBSA-N 1 2 242.388 1.362 20 30 BDEDLO CCc1[nH]c(CNC(=O)CC(C)(C)C#N)c[nH+]1 ZINC001558497610 990956986 /nfs/dbraw/zinc/95/69/86/990956986.db2.gz WBVHXHWDANTICP-UHFFFAOYSA-N 1 2 234.303 1.528 20 30 BDEDLO CCc1[nH]cc(CNC(=O)CC(C)(C)C#N)[nH+]1 ZINC001558497610 990956992 /nfs/dbraw/zinc/95/69/92/990956992.db2.gz WBVHXHWDANTICP-UHFFFAOYSA-N 1 2 234.303 1.528 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(SCC)nc1 ZINC001138654989 990998597 /nfs/dbraw/zinc/99/85/97/990998597.db2.gz OOEJMFYDTHHZAT-UHFFFAOYSA-N 1 2 221.329 1.654 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(SCC)nc1 ZINC001138654989 990998607 /nfs/dbraw/zinc/99/86/07/990998607.db2.gz OOEJMFYDTHHZAT-UHFFFAOYSA-N 1 2 221.329 1.654 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC001139224929 991206167 /nfs/dbraw/zinc/20/61/67/991206167.db2.gz WRIYGKAGDVKEQV-SNVBAGLBSA-N 1 2 228.255 1.568 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC001139224929 991206183 /nfs/dbraw/zinc/20/61/83/991206183.db2.gz WRIYGKAGDVKEQV-SNVBAGLBSA-N 1 2 228.255 1.568 20 30 BDEDLO CC[C@](COC)([NH2+]CCCCC#N)C(=O)OC ZINC001559890857 991308732 /nfs/dbraw/zinc/30/87/32/991308732.db2.gz NSBLAUDPDAYJDI-GFCCVEGCSA-N 1 2 242.319 1.238 20 30 BDEDLO C=CCCN(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001312831462 991365637 /nfs/dbraw/zinc/36/56/37/991365637.db2.gz MXXHAOHHQMQOMG-UHFFFAOYSA-N 1 2 236.319 1.180 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)C)C1 ZINC001316969604 991394982 /nfs/dbraw/zinc/39/49/82/991394982.db2.gz RVKRJGSMMHJEGC-NSHDSACASA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)C)C1 ZINC001316969604 991394989 /nfs/dbraw/zinc/39/49/89/991394989.db2.gz RVKRJGSMMHJEGC-NSHDSACASA-N 1 2 244.766 1.976 20 30 BDEDLO Cn1ncc2ccc(C[N@@H+]3CC[C@@H](C#N)C3)cc21 ZINC001139907864 991416587 /nfs/dbraw/zinc/41/65/87/991416587.db2.gz PSQUNRGJDLGRSR-LBPRGKRZSA-N 1 2 240.310 1.919 20 30 BDEDLO Cn1ncc2ccc(C[N@H+]3CC[C@@H](C#N)C3)cc21 ZINC001139907864 991416595 /nfs/dbraw/zinc/41/65/95/991416595.db2.gz PSQUNRGJDLGRSR-LBPRGKRZSA-N 1 2 240.310 1.919 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CCC(=C)C)C1 ZINC001318029539 991614224 /nfs/dbraw/zinc/61/42/24/991614224.db2.gz YHRPPZHPHRUYAD-UHFFFAOYSA-N 1 2 208.305 1.329 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318097357 991624454 /nfs/dbraw/zinc/62/44/54/991624454.db2.gz UKWHFLBXDHYQBR-WDEREUQCSA-N 1 2 234.303 1.452 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318146782 991627746 /nfs/dbraw/zinc/62/77/46/991627746.db2.gz WCVDMXOBYKSXIK-ONGXEEELSA-N 1 2 220.276 1.253 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318167169 991630995 /nfs/dbraw/zinc/63/09/95/991630995.db2.gz GMOFXIYMDXGZLG-WDEREUQCSA-N 1 2 234.303 1.499 20 30 BDEDLO C=CCC[C@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001258725424 991664236 /nfs/dbraw/zinc/66/42/36/991664236.db2.gz LCBABEVEIRFGAM-JTQLQIEISA-N 1 2 218.291 1.882 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001565823475 991811282 /nfs/dbraw/zinc/81/12/82/991811282.db2.gz YREHXMTTYSYKKI-ZDUSSCGKSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001565823475 991811284 /nfs/dbraw/zinc/81/12/84/991811284.db2.gz YREHXMTTYSYKKI-ZDUSSCGKSA-N 1 2 248.370 1.733 20 30 BDEDLO C[N@H+](Cc1cccc(C(N)=O)c1)CC1(C#N)CC1 ZINC001319945120 992039514 /nfs/dbraw/zinc/03/95/14/992039514.db2.gz MLUNRROXURQYIY-UHFFFAOYSA-N 1 2 243.310 1.521 20 30 BDEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)CC1(C#N)CC1 ZINC001319945120 992039523 /nfs/dbraw/zinc/03/95/23/992039523.db2.gz MLUNRROXURQYIY-UHFFFAOYSA-N 1 2 243.310 1.521 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC(C)(C)C2CC2)C1 ZINC001567791221 992095433 /nfs/dbraw/zinc/09/54/33/992095433.db2.gz IGXXQBOPKYPTJU-UHFFFAOYSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)/C=C/c2ccc[nH]2)C1 ZINC001569489921 992400895 /nfs/dbraw/zinc/40/08/95/992400895.db2.gz HZUAIAUIFBTAQP-VOTSOKGWSA-N 1 2 245.326 1.357 20 30 BDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CC)cc2C1 ZINC001570310039 992460595 /nfs/dbraw/zinc/46/05/95/992460595.db2.gz MYNJRBDGLMBMIB-UHFFFAOYSA-N 1 2 242.322 1.662 20 30 BDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CC)cc2C1 ZINC001570310039 992460603 /nfs/dbraw/zinc/46/06/03/992460603.db2.gz MYNJRBDGLMBMIB-UHFFFAOYSA-N 1 2 242.322 1.662 20 30 BDEDLO Cc1coc(C=NNCCCn2cc[nH+]c2)c1 ZINC001262036673 992623999 /nfs/dbraw/zinc/62/39/99/992623999.db2.gz WBEGUDQATJCXHM-UHFFFAOYSA-N 1 2 232.287 1.798 20 30 BDEDLO C=C(C)CCC(=O)NCc1[nH]c[nH+]c1C ZINC001262613195 992961489 /nfs/dbraw/zinc/96/14/89/992961489.db2.gz XPWYVAYXGOLOMJ-UHFFFAOYSA-N 1 2 207.277 1.691 20 30 BDEDLO C#C[C@H]1CCCCN1c1cc(N)[nH+]cn1 ZINC001262708741 993049960 /nfs/dbraw/zinc/04/99/60/993049960.db2.gz MMMHBTISFDXODM-VIFPVBQESA-N 1 2 202.261 1.051 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1cscn1 ZINC000379584822 993255767 /nfs/dbraw/zinc/25/57/67/993255767.db2.gz OTOGDCBXGHVBIW-DTWKUNHWSA-N 1 2 212.318 1.995 20 30 BDEDLO C=CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001263732760 993483006 /nfs/dbraw/zinc/48/30/06/993483006.db2.gz PRGRDJSWWZLPPA-JTQLQIEISA-N 1 2 221.304 1.434 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000336712681 398135368 /nfs/dbraw/zinc/13/53/68/398135368.db2.gz OKKSOOKGIJJEBF-VXGBXAGGSA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000336712681 398135372 /nfs/dbraw/zinc/13/53/72/398135372.db2.gz OKKSOOKGIJJEBF-VXGBXAGGSA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N1CCC[C@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000336712678 398135402 /nfs/dbraw/zinc/13/54/02/398135402.db2.gz OKKSOOKGIJJEBF-NEPJUHHUSA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N1CCC[C@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000336712678 398135406 /nfs/dbraw/zinc/13/54/06/398135406.db2.gz OKKSOOKGIJJEBF-NEPJUHHUSA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)C[C@H](C(=O)NCC#N)n1cc[nH+]c1 ZINC000602085483 349433464 /nfs/dbraw/zinc/43/34/64/349433464.db2.gz HFYYPOFDUBZSON-SNVBAGLBSA-N 1 2 220.276 1.110 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DMRVWTBOHFUSJX-GIPNMCIBSA-N 1 2 244.298 1.275 20 30 BDEDLO C[C@@]1(C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000602186085 349468929 /nfs/dbraw/zinc/46/89/29/349468929.db2.gz DMRVWTBOHFUSJX-BREBYQMCSA-N 1 2 244.298 1.275 20 30 BDEDLO C[C@@]1(C#N)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000602186085 349468931 /nfs/dbraw/zinc/46/89/31/349468931.db2.gz DMRVWTBOHFUSJX-BREBYQMCSA-N 1 2 244.298 1.275 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(CC)CCCC ZINC000339751618 398163072 /nfs/dbraw/zinc/16/30/72/398163072.db2.gz GYVLARLNUFVTNC-UHFFFAOYSA-N 1 2 224.348 1.590 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(CC)CCCC ZINC000339751618 398163076 /nfs/dbraw/zinc/16/30/76/398163076.db2.gz GYVLARLNUFVTNC-UHFFFAOYSA-N 1 2 224.348 1.590 20 30 BDEDLO C=CCOCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649915627 398187244 /nfs/dbraw/zinc/18/72/44/398187244.db2.gz YTVTXRDBBUOYKO-NSHDSACASA-N 1 2 237.303 1.153 20 30 BDEDLO C=CCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309340384 136217900 /nfs/dbraw/zinc/21/79/00/136217900.db2.gz KEJBXJMMOMDHOH-NSHDSACASA-N 1 2 221.304 1.579 20 30 BDEDLO Cn1cc(C[N@@H+]2CC[C@H](F)C2)cc1C#N ZINC000335406863 398202378 /nfs/dbraw/zinc/20/23/78/398202378.db2.gz QBAUNXZGPJYEIU-JTQLQIEISA-N 1 2 207.252 1.441 20 30 BDEDLO Cn1cc(C[N@H+]2CC[C@H](F)C2)cc1C#N ZINC000335406863 398202381 /nfs/dbraw/zinc/20/23/81/398202381.db2.gz QBAUNXZGPJYEIU-JTQLQIEISA-N 1 2 207.252 1.441 20 30 BDEDLO CCc1nn(C)c(CC)c1C[NH2+]CCC#N ZINC000336779279 136221575 /nfs/dbraw/zinc/22/15/75/136221575.db2.gz NUCYRQLWZNVDNS-UHFFFAOYSA-N 1 2 220.320 1.548 20 30 BDEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCOC1 ZINC000328807411 398211818 /nfs/dbraw/zinc/21/18/18/398211818.db2.gz IIBJMXXYXSOKPO-SECBINFHSA-N 1 2 223.276 1.478 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)CCCCC ZINC000076185220 398226416 /nfs/dbraw/zinc/22/64/16/398226416.db2.gz IFDXFSGGPHOXAC-AWEZNQCLSA-N 1 2 248.370 1.640 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000335228377 343987897 /nfs/dbraw/zinc/98/78/97/343987897.db2.gz CWLWGPSAQYYIIA-UHFFFAOYSA-N 1 2 230.227 1.113 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000335228377 343987898 /nfs/dbraw/zinc/98/78/98/343987898.db2.gz CWLWGPSAQYYIIA-UHFFFAOYSA-N 1 2 230.227 1.113 20 30 BDEDLO C=C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280551430 538937952 /nfs/dbraw/zinc/93/79/52/538937952.db2.gz PIRUQKRXIIPZMI-UHFFFAOYSA-N 1 2 219.288 1.521 20 30 BDEDLO C=C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280551430 538937954 /nfs/dbraw/zinc/93/79/54/538937954.db2.gz PIRUQKRXIIPZMI-UHFFFAOYSA-N 1 2 219.288 1.521 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](CCCC)C(=O)OC ZINC000293338912 136229492 /nfs/dbraw/zinc/22/94/92/136229492.db2.gz YOWCDZDVAQBBMT-NSHDSACASA-N 1 2 211.305 1.673 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](CCCC)C(=O)OC ZINC000293338912 136229493 /nfs/dbraw/zinc/22/94/93/136229493.db2.gz YOWCDZDVAQBBMT-NSHDSACASA-N 1 2 211.305 1.673 20 30 BDEDLO C=C(C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000576679262 365655555 /nfs/dbraw/zinc/65/55/55/365655555.db2.gz KWAPHQWNNIACDD-UHFFFAOYSA-N 1 2 243.310 1.878 20 30 BDEDLO CCN(CC#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602447893 349548687 /nfs/dbraw/zinc/54/86/87/349548687.db2.gz CIIIYIBZEWZQPN-NSHDSACASA-N 1 2 218.304 1.717 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)CC#N)[nH]c1C ZINC000602462519 349556743 /nfs/dbraw/zinc/55/67/43/349556743.db2.gz NHFCDOBHESOJHC-VIFPVBQESA-N 1 2 249.314 1.844 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)CC#N)[nH]c1C ZINC000602462519 349556746 /nfs/dbraw/zinc/55/67/46/349556746.db2.gz NHFCDOBHESOJHC-VIFPVBQESA-N 1 2 249.314 1.844 20 30 BDEDLO Cc1ccc(C#N)c(NCCCn2cc[nH+]c2)n1 ZINC000043395430 178364311 /nfs/dbraw/zinc/36/43/11/178364311.db2.gz SEGYTVPRQAKXEY-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000600143503 342689705 /nfs/dbraw/zinc/68/97/05/342689705.db2.gz CRXLPKFSFNBCNK-MRVPVSSYSA-N 1 2 205.261 1.801 20 30 BDEDLO CC(C)n1cc(C[NH2+]C[C@@H](C)C#N)cn1 ZINC000183833797 346859536 /nfs/dbraw/zinc/85/95/36/346859536.db2.gz ROPUIFGDWYPPHF-JTQLQIEISA-N 1 2 206.293 1.713 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000607724293 342780662 /nfs/dbraw/zinc/78/06/62/342780662.db2.gz UWNHUAGUKPWPSX-UHFFFAOYSA-N 1 2 231.299 1.284 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000607724293 342780663 /nfs/dbraw/zinc/78/06/63/342780663.db2.gz UWNHUAGUKPWPSX-UHFFFAOYSA-N 1 2 231.299 1.284 20 30 BDEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCOC1 ZINC000106882295 398286528 /nfs/dbraw/zinc/28/65/28/398286528.db2.gz WFFXTIWUYCSKLZ-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCOC1 ZINC000106882295 398286532 /nfs/dbraw/zinc/28/65/32/398286532.db2.gz WFFXTIWUYCSKLZ-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO N#CC1(CC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000590242326 346873706 /nfs/dbraw/zinc/87/37/06/346873706.db2.gz OFEVZXADDOSKKS-UHFFFAOYSA-N 1 2 240.266 1.967 20 30 BDEDLO COc1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000602644229 349656776 /nfs/dbraw/zinc/65/67/76/349656776.db2.gz WXNGUBFPHUNWTB-UHFFFAOYSA-N 1 2 223.301 1.545 20 30 BDEDLO Cc1csc(=O)n1CC[N@@H+](C)[C@H](C)CC#N ZINC000129543237 398340314 /nfs/dbraw/zinc/34/03/14/398340314.db2.gz OHCRMSVLPUCCQO-SECBINFHSA-N 1 2 239.344 1.452 20 30 BDEDLO Cc1csc(=O)n1CC[N@H+](C)[C@H](C)CC#N ZINC000129543237 398340315 /nfs/dbraw/zinc/34/03/15/398340315.db2.gz OHCRMSVLPUCCQO-SECBINFHSA-N 1 2 239.344 1.452 20 30 BDEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCC#N ZINC000162380434 349680351 /nfs/dbraw/zinc/68/03/51/349680351.db2.gz UXCKYVZXCFXLPN-ZDUSSCGKSA-N 1 2 233.315 1.702 20 30 BDEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCC#N ZINC000162380434 349680355 /nfs/dbraw/zinc/68/03/55/349680355.db2.gz UXCKYVZXCFXLPN-ZDUSSCGKSA-N 1 2 233.315 1.702 20 30 BDEDLO CO[C@](C)(C[NH+]1CC(C)(C#N)C1)C1CC1 ZINC000602690988 349688408 /nfs/dbraw/zinc/68/84/08/349688408.db2.gz UCNAWEIRMLCLMS-GFCCVEGCSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[C@@H](C)[C@@H](C[NH+]1CC(C)(C#N)C1)OC ZINC000602691674 349688981 /nfs/dbraw/zinc/68/89/81/349688981.db2.gz ZIBWXTHKPSCSQM-GHMZBOCLSA-N 1 2 210.321 1.893 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602710235 349703262 /nfs/dbraw/zinc/70/32/62/349703262.db2.gz VXMOQEOCWWFNNW-UHFFFAOYSA-N 1 2 212.256 1.299 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000602734992 349720112 /nfs/dbraw/zinc/72/01/12/349720112.db2.gz RMOKVIILMCATHY-MNOVXSKESA-N 1 2 227.304 1.263 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000602738499 349709254 /nfs/dbraw/zinc/70/92/54/349709254.db2.gz KXOPXYVZQCLHHZ-RYUDHWBXSA-N 1 2 241.331 1.509 20 30 BDEDLO C=Cn1cc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000602748909 349711497 /nfs/dbraw/zinc/71/14/97/349711497.db2.gz WHDSQWWFSXEBTD-UHFFFAOYSA-N 1 2 245.330 1.015 20 30 BDEDLO CCN(C#N)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000602805721 349735581 /nfs/dbraw/zinc/73/55/81/349735581.db2.gz PEMQNSWQYQFKRD-GFCCVEGCSA-N 1 2 220.320 1.415 20 30 BDEDLO CCN(C#N)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000602805721 349735584 /nfs/dbraw/zinc/73/55/84/349735584.db2.gz PEMQNSWQYQFKRD-GFCCVEGCSA-N 1 2 220.320 1.415 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC000602796581 349737628 /nfs/dbraw/zinc/73/76/28/349737628.db2.gz QWGBFDAGHAJGOC-SNVBAGLBSA-N 1 2 238.331 1.858 20 30 BDEDLO C[C@@H]1C[NH+](CC2(CC#N)CC2)C[C@@H](C)S1=O ZINC000602827709 349765825 /nfs/dbraw/zinc/76/58/25/349765825.db2.gz MZRWMRIUPMLABY-GHMZBOCLSA-N 1 2 240.372 1.522 20 30 BDEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602812854 349755514 /nfs/dbraw/zinc/75/55/14/349755514.db2.gz RJFNZVOBQYHCKR-QMMMGPOBSA-N 1 2 224.260 1.640 20 30 BDEDLO C=CC[N@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602812854 349755516 /nfs/dbraw/zinc/75/55/16/349755516.db2.gz RJFNZVOBQYHCKR-QMMMGPOBSA-N 1 2 224.260 1.640 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000602862847 349774564 /nfs/dbraw/zinc/77/45/64/349774564.db2.gz KHJKVOZCYYFDIX-IJLUTSLNSA-N 1 2 237.347 1.573 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000602863183 349775726 /nfs/dbraw/zinc/77/57/26/349775726.db2.gz LVDKGINLZKFXDQ-NEPJUHHUSA-N 1 2 237.347 1.669 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602860365 349771977 /nfs/dbraw/zinc/77/19/77/349771977.db2.gz CTIISHGZXKPFKH-VHSXEESVSA-N 1 2 211.309 1.133 20 30 BDEDLO C=C[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000678097227 488197735 /nfs/dbraw/zinc/19/77/35/488197735.db2.gz UYLSKUKLIJFHCS-SECBINFHSA-N 1 2 219.288 1.816 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@H]1CCO[C@H]1C)C1CC1 ZINC000602886388 349793848 /nfs/dbraw/zinc/79/38/48/349793848.db2.gz QWTQLNQDKXIUSJ-OUAUKWLOSA-N 1 2 208.305 1.788 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@H]1CCO[C@H]1C)C1CC1 ZINC000602886388 349793851 /nfs/dbraw/zinc/79/38/51/349793851.db2.gz QWTQLNQDKXIUSJ-OUAUKWLOSA-N 1 2 208.305 1.788 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC=C(C)C)nn1 ZINC000640845974 362065075 /nfs/dbraw/zinc/06/50/75/362065075.db2.gz CURDVGYGZQYHEV-UHFFFAOYSA-N 1 2 218.304 1.357 20 30 BDEDLO C[C@@H]1C[N@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373795438 136269554 /nfs/dbraw/zinc/26/95/54/136269554.db2.gz DVVWTHUTDAABMZ-VXGBXAGGSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@@H]1C[N@@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373795438 136269555 /nfs/dbraw/zinc/26/95/55/136269555.db2.gz DVVWTHUTDAABMZ-VXGBXAGGSA-N 1 2 224.304 1.170 20 30 BDEDLO C=CCOCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000339054410 136271370 /nfs/dbraw/zinc/27/13/70/136271370.db2.gz LFNDDNJSMUTAOM-UHFFFAOYSA-N 1 2 227.304 1.264 20 30 BDEDLO COC(=O)c1cc(C[NH2+][C@@H](C)CC#N)cs1 ZINC000602869887 349800529 /nfs/dbraw/zinc/80/05/29/349800529.db2.gz JIYGTBWODDGRNI-QMMMGPOBSA-N 1 2 238.312 1.926 20 30 BDEDLO C=CCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000364294354 136275644 /nfs/dbraw/zinc/27/56/44/136275644.db2.gz REMAJLTZLSEIDX-LBPRGKRZSA-N 1 2 247.342 1.918 20 30 BDEDLO CC(C)[C@@H](NC(=O)CCCC#N)c1[nH]cc[nH+]1 ZINC000293313239 136289387 /nfs/dbraw/zinc/28/93/87/136289387.db2.gz NLRDUJGLVDJMBI-LLVKDONJSA-N 1 2 234.303 1.917 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000295252626 136290359 /nfs/dbraw/zinc/29/03/59/136290359.db2.gz GBVBDDUVHLFWLL-VIFPVBQESA-N 1 2 242.273 1.882 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(CC(F)F)c1 ZINC000295252626 136290360 /nfs/dbraw/zinc/29/03/60/136290360.db2.gz GBVBDDUVHLFWLL-VIFPVBQESA-N 1 2 242.273 1.882 20 30 BDEDLO COCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000343722963 343279129 /nfs/dbraw/zinc/27/91/29/343279129.db2.gz MRJPDIGOBQRPSO-UHFFFAOYSA-N 1 2 222.263 1.776 20 30 BDEDLO COCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000343722963 343279131 /nfs/dbraw/zinc/27/91/31/343279131.db2.gz MRJPDIGOBQRPSO-UHFFFAOYSA-N 1 2 222.263 1.776 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCC(C)(C)C)nn1 ZINC000641043719 362153754 /nfs/dbraw/zinc/15/37/54/362153754.db2.gz SXXQOYFPXPDGFM-UHFFFAOYSA-N 1 2 234.347 1.827 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2=CCCC2)nn1 ZINC000641067531 362178765 /nfs/dbraw/zinc/17/87/65/362178765.db2.gz QCPUHERESLITRN-UHFFFAOYSA-N 1 2 230.315 1.501 20 30 BDEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000329356255 136365121 /nfs/dbraw/zinc/36/51/21/136365121.db2.gz WCHQUNBKVJAXNC-AXFHLTTASA-N 1 2 249.314 1.866 20 30 BDEDLO Cn1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000329348921 136365353 /nfs/dbraw/zinc/36/53/53/136365353.db2.gz DQYVFJRWFIOUCN-SECBINFHSA-N 1 2 245.286 1.467 20 30 BDEDLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCc2cccnc21 ZINC000329407929 136365485 /nfs/dbraw/zinc/36/54/85/136365485.db2.gz XMLZMNIFYLBNDE-JTQLQIEISA-N 1 2 242.282 1.991 20 30 BDEDLO C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000329399809 136365526 /nfs/dbraw/zinc/36/55/26/136365526.db2.gz XMYODQGQIPGZBF-LBPRGKRZSA-N 1 2 237.303 1.868 20 30 BDEDLO C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000329399809 136365527 /nfs/dbraw/zinc/36/55/27/136365527.db2.gz XMYODQGQIPGZBF-LBPRGKRZSA-N 1 2 237.303 1.868 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCS[C@H](C)CC1 ZINC000379458021 343522571 /nfs/dbraw/zinc/52/25/71/343522571.db2.gz SDVXGFMPUCHJOJ-NXEZZACHSA-N 1 2 229.345 1.541 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCS[C@H](C)CC1 ZINC000379458021 343522574 /nfs/dbraw/zinc/52/25/74/343522574.db2.gz SDVXGFMPUCHJOJ-NXEZZACHSA-N 1 2 229.345 1.541 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](C)CC1(C#N)CC1 ZINC000602943138 349825400 /nfs/dbraw/zinc/82/54/00/349825400.db2.gz PEZJXZUXLAVTMW-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1n[nH]cc1C[N@H+](C)CC1(C#N)CC1 ZINC000602943138 349825404 /nfs/dbraw/zinc/82/54/04/349825404.db2.gz PEZJXZUXLAVTMW-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCC[C@@H]2C#N)C1=O ZINC000602982555 349833682 /nfs/dbraw/zinc/83/36/82/349833682.db2.gz UTLXZSFINKAWDH-AGIUHOORSA-N 1 2 247.342 1.397 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[C@@H]2C#N)C1=O ZINC000602982555 349833683 /nfs/dbraw/zinc/83/36/83/349833683.db2.gz UTLXZSFINKAWDH-AGIUHOORSA-N 1 2 247.342 1.397 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCC[C@H]2C#N)C1=O ZINC000602982558 349835476 /nfs/dbraw/zinc/83/54/76/349835476.db2.gz UTLXZSFINKAWDH-XQQFMLRXSA-N 1 2 247.342 1.397 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@H]2C#N)C1=O ZINC000602982558 349835478 /nfs/dbraw/zinc/83/54/78/349835478.db2.gz UTLXZSFINKAWDH-XQQFMLRXSA-N 1 2 247.342 1.397 20 30 BDEDLO C[N@H+](CCCS(C)(=O)=O)[C@@H]1CCC[C@H]1C#N ZINC000602975671 349840372 /nfs/dbraw/zinc/84/03/72/349840372.db2.gz FOFNXVHQPKZBTG-WDEREUQCSA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCC[C@H]1C#N ZINC000602975671 349840376 /nfs/dbraw/zinc/84/03/76/349840376.db2.gz FOFNXVHQPKZBTG-WDEREUQCSA-N 1 2 244.360 1.045 20 30 BDEDLO C=CCC(CC=C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584175924 343769185 /nfs/dbraw/zinc/76/91/85/343769185.db2.gz PTFHBZIKZQRVEA-CQSZACIVSA-N 1 2 249.358 1.715 20 30 BDEDLO CCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000584207654 343773960 /nfs/dbraw/zinc/77/39/60/343773960.db2.gz QIDQSBANGPGDSF-NSHDSACASA-N 1 2 211.309 1.137 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492855568 529841486 /nfs/dbraw/zinc/84/14/86/529841486.db2.gz UCSPDEWHIJQCLV-PLNGDYQASA-N 1 2 232.287 1.431 20 30 BDEDLO CC[C@H](NC(=O)CC1(C#N)CC1)c1[nH]cc[nH+]1 ZINC000590328836 346998600 /nfs/dbraw/zinc/99/86/00/346998600.db2.gz CBSGBDISPCDRPC-VIFPVBQESA-N 1 2 232.287 1.671 20 30 BDEDLO CC[C@@H](NC(=O)CC1(C#N)CC1)c1[nH]cc[nH+]1 ZINC000590328835 346998610 /nfs/dbraw/zinc/99/86/10/346998610.db2.gz CBSGBDISPCDRPC-SECBINFHSA-N 1 2 232.287 1.671 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)cnn1C ZINC000188395535 343928698 /nfs/dbraw/zinc/92/86/98/343928698.db2.gz JJSJOAPOXLWQRD-ZETCQYMHSA-N 1 2 212.684 1.323 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C)no1 ZINC000056493628 344236790 /nfs/dbraw/zinc/23/67/90/344236790.db2.gz JJFNFYPSFJGUEF-UHFFFAOYSA-N 1 2 235.287 1.596 20 30 BDEDLO C=C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C(=O)OC ZINC000600616004 344337367 /nfs/dbraw/zinc/33/73/67/344337367.db2.gz XOTICRKQZGVAPZ-NOHGZBONSA-N 1 2 223.316 1.740 20 30 BDEDLO CC(C)(CO)[C@H]([NH2+]CCC#N)c1cccnc1 ZINC000584292152 344426749 /nfs/dbraw/zinc/42/67/49/344426749.db2.gz VVLQYRLRFYGZSC-GFCCVEGCSA-N 1 2 233.315 1.644 20 30 BDEDLO Cc1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000105814007 344470438 /nfs/dbraw/zinc/47/04/38/344470438.db2.gz JZXIRNYFPDVQFO-UHFFFAOYSA-N 1 2 236.344 1.093 20 30 BDEDLO C#CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000045914679 344576433 /nfs/dbraw/zinc/57/64/33/344576433.db2.gz VWZUZLXQEIZTEC-UHFFFAOYSA-N 1 2 243.285 1.453 20 30 BDEDLO C=C(C)COCCNc1cc[nH+]cc1F ZINC000641440215 362419951 /nfs/dbraw/zinc/41/99/51/362419951.db2.gz HRRQXSAJAQLSHK-UHFFFAOYSA-N 1 2 210.252 1.647 20 30 BDEDLO COC(=O)c1coc(C[NH2+][C@H](C)CC#N)c1 ZINC000309423673 347058916 /nfs/dbraw/zinc/05/89/16/347058916.db2.gz DYGUYGKBEAVSKV-MRVPVSSYSA-N 1 2 222.244 1.458 20 30 BDEDLO Cc1nc(C[N@H+](C)CCCSCC#N)no1 ZINC000181685110 347069067 /nfs/dbraw/zinc/06/90/67/347069067.db2.gz SGQBMBIXGLNDON-UHFFFAOYSA-N 1 2 240.332 1.457 20 30 BDEDLO Cc1nc(C[N@@H+](C)CCCSCC#N)no1 ZINC000181685110 347069069 /nfs/dbraw/zinc/06/90/69/347069069.db2.gz SGQBMBIXGLNDON-UHFFFAOYSA-N 1 2 240.332 1.457 20 30 BDEDLO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)nn1C ZINC000260174504 344715971 /nfs/dbraw/zinc/71/59/71/344715971.db2.gz UABSVLRNSLIROU-LBPRGKRZSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)nn1C ZINC000260174504 344715973 /nfs/dbraw/zinc/71/59/73/344715973.db2.gz UABSVLRNSLIROU-LBPRGKRZSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cc(N2CCC(=O)CC2)c(C#N)c[nH+]1 ZINC000075563245 344779874 /nfs/dbraw/zinc/77/98/74/344779874.db2.gz ZMRTWVWYLLWGSO-UHFFFAOYSA-N 1 2 215.256 1.431 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C)n1 ZINC000076144004 344798190 /nfs/dbraw/zinc/79/81/90/344798190.db2.gz KFZFNNVQPHPCSS-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(C)n1 ZINC000076144004 344798192 /nfs/dbraw/zinc/79/81/92/344798192.db2.gz KFZFNNVQPHPCSS-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1cccc(F)c1 ZINC000076185455 344799133 /nfs/dbraw/zinc/79/91/33/344799133.db2.gz BSSDIUIVJGXXOD-CQSZACIVSA-N 1 2 231.270 1.428 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299567017 534969104 /nfs/dbraw/zinc/96/91/04/534969104.db2.gz BCSJGEORWIJVPB-UHFFFAOYSA-N 1 2 246.314 1.665 20 30 BDEDLO C[C@H](CNc1nccnc1C#N)Cn1cc[nH+]c1 ZINC000076921744 344808171 /nfs/dbraw/zinc/80/81/71/344808171.db2.gz WJEPUTRJEHZCTI-SNVBAGLBSA-N 1 2 242.286 1.293 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)COCc1ccco1 ZINC000078320841 344845237 /nfs/dbraw/zinc/84/52/37/344845237.db2.gz HGGAYUTUYGSFQW-LLVKDONJSA-N 1 2 238.287 1.003 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)COCc1ccco1 ZINC000078320841 344845239 /nfs/dbraw/zinc/84/52/39/344845239.db2.gz HGGAYUTUYGSFQW-LLVKDONJSA-N 1 2 238.287 1.003 20 30 BDEDLO Cc1nc(CC(N)=[NH+]OC(C)C)cs1 ZINC000123817918 345017741 /nfs/dbraw/zinc/01/77/41/345017741.db2.gz CVEPCLWWKKHOFF-UHFFFAOYSA-N 1 2 213.306 1.691 20 30 BDEDLO Cc1cc(N[C@@H]2CCC[C@H]2CCO)c(C#N)c[nH+]1 ZINC000425243385 192085142 /nfs/dbraw/zinc/08/51/42/192085142.db2.gz QHMQXRFRJTXIQX-WCQYABFASA-N 1 2 245.326 1.647 20 30 BDEDLO Cc1cc(NCCCC#N)c(C#N)c[nH+]1 ZINC000425243361 192085209 /nfs/dbraw/zinc/08/52/09/192085209.db2.gz FHVBCESZHLZQFW-UHFFFAOYSA-N 1 2 200.245 1.399 20 30 BDEDLO NC(CCO)=[NH+]OCc1cccc(Cl)c1 ZINC000136068216 345473094 /nfs/dbraw/zinc/47/30/94/345473094.db2.gz GGJQSXZIYQBFPP-UHFFFAOYSA-N 1 2 228.679 1.511 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000136210428 345487938 /nfs/dbraw/zinc/48/79/38/345487938.db2.gz PTUUFHYURJLCQW-CMPLNLGQSA-N 1 2 234.303 1.328 20 30 BDEDLO N#CCCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090632147 345573936 /nfs/dbraw/zinc/57/39/36/345573936.db2.gz ABJKMLSTSJUVGK-UHFFFAOYSA-N 1 2 248.305 1.646 20 30 BDEDLO C#C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)C ZINC000282178309 166218927 /nfs/dbraw/zinc/21/89/27/166218927.db2.gz RRKLIPFADFTGBT-NSHDSACASA-N 1 2 219.288 1.047 20 30 BDEDLO Cc1cc(N)nc(S[C@@H](C#N)C2CC2)[nH+]1 ZINC000601072774 346013087 /nfs/dbraw/zinc/01/30/87/346013087.db2.gz SGPKXWDRSOQAAV-QMMMGPOBSA-N 1 2 220.301 1.592 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635820388 346076127 /nfs/dbraw/zinc/07/61/27/346076127.db2.gz OMFWIBVIONXHOK-RKDXNWHRSA-N 1 2 205.261 1.206 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635820388 346076128 /nfs/dbraw/zinc/07/61/28/346076128.db2.gz OMFWIBVIONXHOK-RKDXNWHRSA-N 1 2 205.261 1.206 20 30 BDEDLO CCC[N@H+](CCO)Cc1nc(C#N)cs1 ZINC000356062900 346142135 /nfs/dbraw/zinc/14/21/35/346142135.db2.gz WJUYMKJEZAKEQA-UHFFFAOYSA-N 1 2 225.317 1.219 20 30 BDEDLO CCC[N@@H+](CCO)Cc1nc(C#N)cs1 ZINC000356062900 346142138 /nfs/dbraw/zinc/14/21/38/346142138.db2.gz WJUYMKJEZAKEQA-UHFFFAOYSA-N 1 2 225.317 1.219 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636006049 346147973 /nfs/dbraw/zinc/14/79/73/346147973.db2.gz HDSUQYOOZXLMEP-NXEZZACHSA-N 1 2 219.288 1.596 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636006049 346147977 /nfs/dbraw/zinc/14/79/77/346147977.db2.gz HDSUQYOOZXLMEP-NXEZZACHSA-N 1 2 219.288 1.596 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C#N)ncn1 ZINC000382444920 346252074 /nfs/dbraw/zinc/25/20/74/346252074.db2.gz AQTYUGWREKVPEW-VIFPVBQESA-N 1 2 228.259 1.045 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000381607099 346420696 /nfs/dbraw/zinc/42/06/96/346420696.db2.gz QSGZMMRJNIWADL-UHFFFAOYSA-N 1 2 220.247 1.925 20 30 BDEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](COC)C(=O)OC ZINC000336764209 259391751 /nfs/dbraw/zinc/39/17/51/259391751.db2.gz MZHJVRZQCVFMRS-AXFHLTTASA-N 1 2 229.320 1.365 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC1CC1 ZINC000580202434 346659114 /nfs/dbraw/zinc/65/91/14/346659114.db2.gz GJAJYSAJTDNAEB-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)CN1CC[N@H+](CCCC#N)[C@H](C)C1=O ZINC000361841977 346699400 /nfs/dbraw/zinc/69/94/00/346699400.db2.gz INMRCFRBEGPMBP-GFCCVEGCSA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)CN1CC[N@@H+](CCCC#N)[C@H](C)C1=O ZINC000361841977 346699403 /nfs/dbraw/zinc/69/94/03/346699403.db2.gz INMRCFRBEGPMBP-GFCCVEGCSA-N 1 2 237.347 1.479 20 30 BDEDLO N#CCCOCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000590154449 346781011 /nfs/dbraw/zinc/78/10/11/346781011.db2.gz ANCVLIQGDRUEAT-GFCCVEGCSA-N 1 2 248.330 1.519 20 30 BDEDLO N#CCCOCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000590154449 346781013 /nfs/dbraw/zinc/78/10/13/346781013.db2.gz ANCVLIQGDRUEAT-GFCCVEGCSA-N 1 2 248.330 1.519 20 30 BDEDLO Cn1cnc2c1CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000590158181 346782873 /nfs/dbraw/zinc/78/28/73/346782873.db2.gz FMZXSOKHNXAAPD-WDEREUQCSA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1cnc2c1CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000590158181 346782875 /nfs/dbraw/zinc/78/28/75/346782875.db2.gz FMZXSOKHNXAAPD-WDEREUQCSA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1c[nH+]c2c1CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000590158181 346782877 /nfs/dbraw/zinc/78/28/77/346782877.db2.gz FMZXSOKHNXAAPD-WDEREUQCSA-N 1 2 230.315 1.470 20 30 BDEDLO N#CCCN(CCC#N)CCCn1cc[nH+]c1 ZINC000183076410 347119396 /nfs/dbraw/zinc/11/93/96/347119396.db2.gz RHIMOLKLUTUALN-UHFFFAOYSA-N 1 2 231.303 1.403 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364056065 347250919 /nfs/dbraw/zinc/25/09/19/347250919.db2.gz PFIATMNLGRHTLE-LLVKDONJSA-N 1 2 245.326 1.623 20 30 BDEDLO N#CCN1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186207745 347228209 /nfs/dbraw/zinc/22/82/09/347228209.db2.gz CRYAMVOGGFEGEA-UHFFFAOYSA-N 1 2 249.289 1.172 20 30 BDEDLO NC(CCO)=[NH+]OCc1ccc(F)c(Cl)c1 ZINC000189357860 347301992 /nfs/dbraw/zinc/30/19/92/347301992.db2.gz YGKUPCVEZXOMPM-UHFFFAOYSA-N 1 2 246.669 1.650 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601467391 347389553 /nfs/dbraw/zinc/38/95/53/347389553.db2.gz SVYUEWWBYDKOJD-UHFFFAOYSA-N 1 2 247.342 1.279 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000590756872 347506147 /nfs/dbraw/zinc/50/61/47/347506147.db2.gz DGUQYYAVCBVQSE-TUAOUCFPSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000590756872 347506150 /nfs/dbraw/zinc/50/61/50/347506150.db2.gz DGUQYYAVCBVQSE-TUAOUCFPSA-N 1 2 241.331 1.461 20 30 BDEDLO CCn1c[nH+]cc1CN1CC[C@](F)(C#N)C1 ZINC000591356774 347644604 /nfs/dbraw/zinc/64/46/04/347644604.db2.gz GAIVPOYRTJJQJL-NSHDSACASA-N 1 2 222.267 1.341 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(COC)CCCC1)C(=O)OC ZINC000591376209 347650320 /nfs/dbraw/zinc/65/03/20/347650320.db2.gz YVAJSWBOPSGLLH-LLVKDONJSA-N 1 2 241.331 1.510 20 30 BDEDLO CC(C)([NH2+]CCC#N)C(=O)Nc1ccccc1 ZINC000591018780 347607456 /nfs/dbraw/zinc/60/74/56/347607456.db2.gz PXZMLCLJYKHXPW-UHFFFAOYSA-N 1 2 231.299 1.907 20 30 BDEDLO Cc1cc(-n2c[nH+]c(CCCO)c2)c(C#N)cn1 ZINC000591820230 347700802 /nfs/dbraw/zinc/70/08/02/347700802.db2.gz JCGANOKKGZMZDA-UHFFFAOYSA-N 1 2 242.282 1.372 20 30 BDEDLO Cc1cc(N2CC(C)(CO)C2)c(C#N)c[nH+]1 ZINC000591825439 347701777 /nfs/dbraw/zinc/70/17/77/347701777.db2.gz RTOWQWRWPQKKIW-UHFFFAOYSA-N 1 2 217.272 1.080 20 30 BDEDLO N#Cc1cnccc1C[N@@H+](CCCO)C1CC1 ZINC000592069856 347727539 /nfs/dbraw/zinc/72/75/39/347727539.db2.gz WRCCXQRHXQNEFK-UHFFFAOYSA-N 1 2 231.299 1.300 20 30 BDEDLO N#Cc1cnccc1C[N@H+](CCCO)C1CC1 ZINC000592069856 347727542 /nfs/dbraw/zinc/72/75/42/347727542.db2.gz WRCCXQRHXQNEFK-UHFFFAOYSA-N 1 2 231.299 1.300 20 30 BDEDLO C[C@H]1CSCC[N@@H+]1Cc1ccncc1C#N ZINC000592072505 347728869 /nfs/dbraw/zinc/72/88/69/347728869.db2.gz NOSJIVMARQHHDW-JTQLQIEISA-N 1 2 233.340 1.891 20 30 BDEDLO C[C@H]1CSCC[N@H+]1Cc1ccncc1C#N ZINC000592072505 347728872 /nfs/dbraw/zinc/72/88/72/347728872.db2.gz NOSJIVMARQHHDW-JTQLQIEISA-N 1 2 233.340 1.891 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592122520 347737699 /nfs/dbraw/zinc/73/76/99/347737699.db2.gz LZBUJSQWQKXBCE-UWVGGRQHSA-N 1 2 201.273 1.793 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592122520 347737701 /nfs/dbraw/zinc/73/77/01/347737701.db2.gz LZBUJSQWQKXBCE-UWVGGRQHSA-N 1 2 201.273 1.793 20 30 BDEDLO N#CCCC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000592135191 347747481 /nfs/dbraw/zinc/74/74/81/347747481.db2.gz WSCDGRBZDZNHKS-UHFFFAOYSA-N 1 2 235.291 1.026 20 30 BDEDLO CC(C)Cn1nccc1C[NH2+]C[C@H](C)C#N ZINC000592506606 347792377 /nfs/dbraw/zinc/79/23/77/347792377.db2.gz BYLOEAPUUYJSFU-LLVKDONJSA-N 1 2 220.320 1.788 20 30 BDEDLO CC(C)Oc1cc[nH+]c(CN(C)CC#N)c1 ZINC000593005937 347840313 /nfs/dbraw/zinc/84/03/13/347840313.db2.gz AWXQSCIRYZQTPU-UHFFFAOYSA-N 1 2 219.288 1.824 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000593021968 347845756 /nfs/dbraw/zinc/84/57/56/347845756.db2.gz RKEQMDBCSRWQFH-UHFFFAOYSA-N 1 2 244.342 1.955 20 30 BDEDLO CC(=O)NCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122368 347863406 /nfs/dbraw/zinc/86/34/06/347863406.db2.gz QBJVUTSYDMPYFD-UHFFFAOYSA-N 1 2 243.310 1.400 20 30 BDEDLO CC(=O)NCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122368 347863408 /nfs/dbraw/zinc/86/34/08/347863408.db2.gz QBJVUTSYDMPYFD-UHFFFAOYSA-N 1 2 243.310 1.400 20 30 BDEDLO Cc1coc(C)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153139 347866006 /nfs/dbraw/zinc/86/60/06/347866006.db2.gz KAFRVAWCOQWFKH-ZDUSSCGKSA-N 1 2 249.314 1.470 20 30 BDEDLO C[C@@H](CC(=O)NCC(C)(C)CC#N)n1cc[nH+]c1 ZINC000593172164 347868293 /nfs/dbraw/zinc/86/82/93/347868293.db2.gz JONYIOZJKUWDAW-NSHDSACASA-N 1 2 248.330 1.890 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000593183077 347868982 /nfs/dbraw/zinc/86/89/82/347868982.db2.gz MJYFTTOLJQAUIT-JTQLQIEISA-N 1 2 242.282 1.086 20 30 BDEDLO C=CCN(CCC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593722428 347937059 /nfs/dbraw/zinc/93/70/59/347937059.db2.gz UTCNJKBMKFVCRW-LBPRGKRZSA-N 1 2 246.314 1.762 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593557616 347910978 /nfs/dbraw/zinc/91/09/78/347910978.db2.gz TZIPWBNLRXTSQE-WDEREUQCSA-N 1 2 246.314 1.286 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000577409323 365948521 /nfs/dbraw/zinc/94/85/21/365948521.db2.gz UZXRUPKHINGDOX-MWLCHTKSSA-N 1 2 248.330 1.643 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000577409323 365948527 /nfs/dbraw/zinc/94/85/27/365948527.db2.gz UZXRUPKHINGDOX-MWLCHTKSSA-N 1 2 248.330 1.643 20 30 BDEDLO N#Cc1cccc(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000371604933 187385963 /nfs/dbraw/zinc/38/59/63/187385963.db2.gz GCWZCFMETWCLHD-UHFFFAOYSA-N 1 2 239.282 1.207 20 30 BDEDLO C=C[C@H]([NH2+]CCCOC(C)(C)C)C(=O)OC ZINC000594726315 348105753 /nfs/dbraw/zinc/10/57/53/348105753.db2.gz LIMSHNUYNNQNPZ-JTQLQIEISA-N 1 2 229.320 1.509 20 30 BDEDLO COCCC1C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000594718499 348107046 /nfs/dbraw/zinc/10/70/46/348107046.db2.gz RBBAZLFUFWRQSZ-LLVKDONJSA-N 1 2 221.304 1.398 20 30 BDEDLO Cn1nncc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980794 348163920 /nfs/dbraw/zinc/16/39/20/348163920.db2.gz AWYPPLOPHACCKA-UHFFFAOYSA-N 1 2 233.319 1.379 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)NC1CCC(C)CC1 ZINC000174525635 187390448 /nfs/dbraw/zinc/39/04/48/187390448.db2.gz OMYXURHSYPDWRQ-UHFFFAOYSA-N 1 2 246.354 1.250 20 30 BDEDLO C[C@@]1(CO)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000564537237 323178944 /nfs/dbraw/zinc/17/89/44/323178944.db2.gz RRZSUAALEYORBZ-NSHDSACASA-N 1 2 237.328 1.362 20 30 BDEDLO C[C@@]1(CO)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000564537237 323178945 /nfs/dbraw/zinc/17/89/45/323178945.db2.gz RRZSUAALEYORBZ-NSHDSACASA-N 1 2 237.328 1.362 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(C#N)cn1 ZINC000595399171 348238165 /nfs/dbraw/zinc/23/81/65/348238165.db2.gz INSPJGODWIAEKD-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO COC(=O)C[C@](C)([NH2+]CCC#N)c1ccncc1 ZINC000595481270 348252110 /nfs/dbraw/zinc/25/21/10/348252110.db2.gz COGDTWXFAPLTPH-ZDUSSCGKSA-N 1 2 247.298 1.363 20 30 BDEDLO C[N@H+](CCC#N)[C@H](CO)Cc1ccccc1 ZINC000595595737 348293905 /nfs/dbraw/zinc/29/39/05/348293905.db2.gz LNRIMBJAJLTORO-ZDUSSCGKSA-N 1 2 218.300 1.435 20 30 BDEDLO C[N@@H+](CCC#N)[C@H](CO)Cc1ccccc1 ZINC000595595737 348293908 /nfs/dbraw/zinc/29/39/08/348293908.db2.gz LNRIMBJAJLTORO-ZDUSSCGKSA-N 1 2 218.300 1.435 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)no1 ZINC000595528747 348272685 /nfs/dbraw/zinc/27/26/85/348272685.db2.gz DYVNOQQYTOWJNM-MRVPVSSYSA-N 1 2 209.249 1.465 20 30 BDEDLO C=CCCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000595531380 348273715 /nfs/dbraw/zinc/27/37/15/348273715.db2.gz FDMNMPCWUIWIAI-GFCCVEGCSA-N 1 2 229.320 1.246 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000595613490 348288415 /nfs/dbraw/zinc/28/84/15/348288415.db2.gz DBWIEGRMLWBNGR-SNVBAGLBSA-N 1 2 204.277 1.535 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000595613490 348288416 /nfs/dbraw/zinc/28/84/16/348288416.db2.gz DBWIEGRMLWBNGR-SNVBAGLBSA-N 1 2 204.277 1.535 20 30 BDEDLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000595766944 348334946 /nfs/dbraw/zinc/33/49/46/348334946.db2.gz SPYAUUCZCWYNNT-WCBMZHEXSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000595766944 348334948 /nfs/dbraw/zinc/33/49/48/348334948.db2.gz SPYAUUCZCWYNNT-WCBMZHEXSA-N 1 2 237.328 1.360 20 30 BDEDLO C=CCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595768832 348335960 /nfs/dbraw/zinc/33/59/60/348335960.db2.gz GXGPDRAJLOTGHG-JTQLQIEISA-N 1 2 203.257 1.443 20 30 BDEDLO CN1CC[N@H+](Cc2ccccc2C#N)CCC1=O ZINC000595771448 348336805 /nfs/dbraw/zinc/33/68/05/348336805.db2.gz CCFPUUVQHPZIPS-UHFFFAOYSA-N 1 2 243.310 1.222 20 30 BDEDLO CN1CC[N@@H+](Cc2ccccc2C#N)CCC1=O ZINC000595771448 348336808 /nfs/dbraw/zinc/33/68/08/348336808.db2.gz CCFPUUVQHPZIPS-UHFFFAOYSA-N 1 2 243.310 1.222 20 30 BDEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834714 348368043 /nfs/dbraw/zinc/36/80/43/348368043.db2.gz NWHJHPYMKQRXRC-TZMCWYRMSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834714 348368046 /nfs/dbraw/zinc/36/80/46/348368046.db2.gz NWHJHPYMKQRXRC-TZMCWYRMSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835345 348369349 /nfs/dbraw/zinc/36/93/49/348369349.db2.gz QSVIZMKLAFYWPD-TZMCWYRMSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835345 348369351 /nfs/dbraw/zinc/36/93/51/348369351.db2.gz QSVIZMKLAFYWPD-TZMCWYRMSA-N 1 2 249.358 1.623 20 30 BDEDLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840633 348374421 /nfs/dbraw/zinc/37/44/21/348374421.db2.gz CFXHTJUPGUJWIP-DGCLKSJQSA-N 1 2 238.331 1.810 20 30 BDEDLO COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840633 348374423 /nfs/dbraw/zinc/37/44/23/348374423.db2.gz CFXHTJUPGUJWIP-DGCLKSJQSA-N 1 2 238.331 1.810 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841112 348375119 /nfs/dbraw/zinc/37/51/19/348375119.db2.gz IAJYUHMBORMDFK-LBPRGKRZSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1nn(C)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841112 348375123 /nfs/dbraw/zinc/37/51/23/348375123.db2.gz IAJYUHMBORMDFK-LBPRGKRZSA-N 1 2 218.304 1.464 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCc2cscn2)C1 ZINC000595841064 348375375 /nfs/dbraw/zinc/37/53/75/348375375.db2.gz GTKYDDXLDLCZNK-NSHDSACASA-N 1 2 221.329 1.921 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCc2cscn2)C1 ZINC000595841064 348375376 /nfs/dbraw/zinc/37/53/76/348375376.db2.gz GTKYDDXLDLCZNK-NSHDSACASA-N 1 2 221.329 1.921 20 30 BDEDLO Cc1nnc(C[N@H+](C)CCCCC#N)s1 ZINC000595885001 348388457 /nfs/dbraw/zinc/38/84/57/348388457.db2.gz KRXHCTAYFOCKFY-UHFFFAOYSA-N 1 2 224.333 1.972 20 30 BDEDLO Cc1nnc(C[N@@H+](C)CCCCC#N)s1 ZINC000595885001 348388459 /nfs/dbraw/zinc/38/84/59/348388459.db2.gz KRXHCTAYFOCKFY-UHFFFAOYSA-N 1 2 224.333 1.972 20 30 BDEDLO N#CCCC[N@@H+]1CCc2nccnc2C1 ZINC000595852005 348356610 /nfs/dbraw/zinc/35/66/10/348356610.db2.gz WZWLTBYVWGGSSW-UHFFFAOYSA-N 1 2 202.261 1.138 20 30 BDEDLO N#CCCC[N@H+]1CCc2nccnc2C1 ZINC000595852005 348356612 /nfs/dbraw/zinc/35/66/12/348356612.db2.gz WZWLTBYVWGGSSW-UHFFFAOYSA-N 1 2 202.261 1.138 20 30 BDEDLO CC[N@H+](CC1(C(=O)OC)CC1)[C@@H](C)C#N ZINC000595819469 348359158 /nfs/dbraw/zinc/35/91/58/348359158.db2.gz BBEMERLYGWRVGB-VIFPVBQESA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@@H+](CC1(C(=O)OC)CC1)[C@@H](C)C#N ZINC000595819469 348359163 /nfs/dbraw/zinc/35/91/63/348359163.db2.gz BBEMERLYGWRVGB-VIFPVBQESA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@@H](C)C#N ZINC000595820841 348362252 /nfs/dbraw/zinc/36/22/52/348362252.db2.gz PJNPZGOMQUDMRN-YUMQZZPRSA-N 1 2 224.226 1.534 20 30 BDEDLO CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@@H](C)C#N ZINC000595820841 348362254 /nfs/dbraw/zinc/36/22/54/348362254.db2.gz PJNPZGOMQUDMRN-YUMQZZPRSA-N 1 2 224.226 1.534 20 30 BDEDLO C=C[C@@H]([NH2+]C1(CC(C)C)CC1)C(=O)OC ZINC000595831733 348365815 /nfs/dbraw/zinc/36/58/15/348365815.db2.gz QTPFCAMXPFYGAN-SNVBAGLBSA-N 1 2 211.305 1.882 20 30 BDEDLO N#CCC[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000596069338 348437198 /nfs/dbraw/zinc/43/71/98/348437198.db2.gz DKAHHSJOZTZQPE-ZDUSSCGKSA-N 1 2 245.326 1.789 20 30 BDEDLO CCn1nccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000596070882 348438318 /nfs/dbraw/zinc/43/83/18/348438318.db2.gz UKUFNLOSUFQFJK-LLVKDONJSA-N 1 2 231.303 1.436 20 30 BDEDLO C=CCN(c1cc(CC(=O)OC)cc[nH+]1)C1CC1 ZINC000596184559 348456352 /nfs/dbraw/zinc/45/63/52/348456352.db2.gz MEUPQZMAJPXOBO-UHFFFAOYSA-N 1 2 246.310 1.952 20 30 BDEDLO Cc1cc(C)c(CNc2c(C#N)cnn2C)c[nH+]1 ZINC000596261268 348478362 /nfs/dbraw/zinc/47/83/62/348478362.db2.gz DHUQSQPNNFFBLO-UHFFFAOYSA-N 1 2 241.298 1.916 20 30 BDEDLO Cc1ccnc(N2CCc3[nH+]c[nH]c3C2)c1C#N ZINC000596237246 348482603 /nfs/dbraw/zinc/48/26/03/348482603.db2.gz RRZFICBNGSPOFN-UHFFFAOYSA-N 1 2 239.282 1.548 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(C2CC2)no1 ZINC000266896869 187398568 /nfs/dbraw/zinc/39/85/68/187398568.db2.gz FISCTOYIAUXYJW-SECBINFHSA-N 1 2 219.288 1.963 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nc(C2CC2)no1 ZINC000266896869 187398569 /nfs/dbraw/zinc/39/85/69/187398569.db2.gz FISCTOYIAUXYJW-SECBINFHSA-N 1 2 219.288 1.963 20 30 BDEDLO C[C@H](NC(=O)NCC(C)(C)C#N)c1[nH+]ccn1C ZINC000596550529 348586155 /nfs/dbraw/zinc/58/61/55/348586155.db2.gz TVCBSJLINOVATJ-VIFPVBQESA-N 1 2 249.318 1.330 20 30 BDEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CCC#N)C2 ZINC000596599236 348590373 /nfs/dbraw/zinc/59/03/73/348590373.db2.gz RPRTUBXUPXJCDC-UHFFFAOYSA-N 1 2 232.331 1.718 20 30 BDEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CCC#N)C2 ZINC000596599236 348590376 /nfs/dbraw/zinc/59/03/76/348590376.db2.gz RPRTUBXUPXJCDC-UHFFFAOYSA-N 1 2 232.331 1.718 20 30 BDEDLO C#CCCCn1c2ccccc2[nH+]c1NCCO ZINC000270878170 187399553 /nfs/dbraw/zinc/39/95/53/187399553.db2.gz DQCLVLJJJVDAQV-UHFFFAOYSA-N 1 2 243.310 1.854 20 30 BDEDLO Cc1cc(N[C@H]2C[C@@H](O)C23CCC3)c(C#N)c[nH+]1 ZINC000596504623 348571406 /nfs/dbraw/zinc/57/14/06/348571406.db2.gz HXRQNAORLQHTDR-QWHCGFSZSA-N 1 2 243.310 1.399 20 30 BDEDLO C[C@@H](C#N)C[N@H+](Cc1cnn2c1CCC2)C1CC1 ZINC000597026524 348651975 /nfs/dbraw/zinc/65/19/75/348651975.db2.gz NVLJUYLGFAUTGW-NSHDSACASA-N 1 2 244.342 1.953 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](Cc1cnn2c1CCC2)C1CC1 ZINC000597026524 348651977 /nfs/dbraw/zinc/65/19/77/348651977.db2.gz NVLJUYLGFAUTGW-NSHDSACASA-N 1 2 244.342 1.953 20 30 BDEDLO Cc1c(C[NH+]2CC(CC#N)C2)cnn1C ZINC000597193871 348671333 /nfs/dbraw/zinc/67/13/33/348671333.db2.gz KCGXUSXWEBTLNW-UHFFFAOYSA-N 1 2 204.277 1.074 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N1CC(CC#N)C1 ZINC000596817118 348625601 /nfs/dbraw/zinc/62/56/01/348625601.db2.gz LTLADBDAZKYYHH-UHFFFAOYSA-N 1 2 230.271 1.189 20 30 BDEDLO CC(C)[N@H+](CCC#N)Cc1cnn2c1CCC2 ZINC000596985677 348643616 /nfs/dbraw/zinc/64/36/16/348643616.db2.gz IRLWXKNMUXOXIT-UHFFFAOYSA-N 1 2 232.331 1.953 20 30 BDEDLO CC(C)[N@@H+](CCC#N)Cc1cnn2c1CCC2 ZINC000596985677 348643617 /nfs/dbraw/zinc/64/36/17/348643617.db2.gz IRLWXKNMUXOXIT-UHFFFAOYSA-N 1 2 232.331 1.953 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597035252 348645774 /nfs/dbraw/zinc/64/57/74/348645774.db2.gz BURSSLQDDSMYJN-BREBYQMCSA-N 1 2 246.314 1.332 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597189272 348685953 /nfs/dbraw/zinc/68/59/53/348685953.db2.gz SLICHYJDBHXRJQ-BXKDBHETSA-N 1 2 246.314 1.179 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597189272 348685954 /nfs/dbraw/zinc/68/59/54/348685954.db2.gz SLICHYJDBHXRJQ-BXKDBHETSA-N 1 2 246.314 1.179 20 30 BDEDLO C[C@H](CC#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000597734353 348800036 /nfs/dbraw/zinc/80/00/36/348800036.db2.gz ADORMLQZCSSBHI-MRVPVSSYSA-N 1 2 220.276 1.311 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598463992 348978396 /nfs/dbraw/zinc/97/83/96/348978396.db2.gz DOAPTCRIXMUMKR-JOYOIKCWSA-N 1 2 234.303 1.537 20 30 BDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C)C#N ZINC000598364417 348950667 /nfs/dbraw/zinc/95/06/67/348950667.db2.gz OCLLANUOUMGFHT-HBNTYKKESA-N 1 2 246.314 1.284 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598419642 348957141 /nfs/dbraw/zinc/95/71/41/348957141.db2.gz JMFYUWFWHSHNAX-GWCFXTLKSA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598419642 348957143 /nfs/dbraw/zinc/95/71/43/348957143.db2.gz JMFYUWFWHSHNAX-GWCFXTLKSA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598419653 348957201 /nfs/dbraw/zinc/95/72/01/348957201.db2.gz JMFYUWFWHSHNAX-ZWNOBZJWSA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598419653 348957204 /nfs/dbraw/zinc/95/72/04/348957204.db2.gz JMFYUWFWHSHNAX-ZWNOBZJWSA-N 1 2 246.314 1.350 20 30 BDEDLO N#CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000598948486 349070970 /nfs/dbraw/zinc/07/09/70/349070970.db2.gz QIUIMNZGYRPARJ-SNVBAGLBSA-N 1 2 244.298 1.008 20 30 BDEDLO C#CCCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000271395544 192382587 /nfs/dbraw/zinc/38/25/87/192382587.db2.gz HASPPGHQBLNDLS-CYBMUJFWSA-N 1 2 247.342 1.829 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000598895099 349059659 /nfs/dbraw/zinc/05/96/59/349059659.db2.gz SBTUCZKGLDZZOS-NXEZZACHSA-N 1 2 211.309 1.183 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)CC#N)CC2 ZINC000599221157 349126559 /nfs/dbraw/zinc/12/65/59/349126559.db2.gz LLAYAFXYBHTKEY-KOLCDFICSA-N 1 2 246.314 1.172 20 30 BDEDLO COCC[N@H+](CC#N)CC1CC(C)(C)C1 ZINC000599438495 349177708 /nfs/dbraw/zinc/17/77/08/349177708.db2.gz WTMAPYVDGMIXBM-UHFFFAOYSA-N 1 2 210.321 1.895 20 30 BDEDLO COCC[N@@H+](CC#N)CC1CC(C)(C)C1 ZINC000599438495 349177710 /nfs/dbraw/zinc/17/77/10/349177710.db2.gz WTMAPYVDGMIXBM-UHFFFAOYSA-N 1 2 210.321 1.895 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](C)C#N)CC2 ZINC000599427396 349185265 /nfs/dbraw/zinc/18/52/65/349185265.db2.gz PCOVWTCKJBUGKH-MWLCHTKSSA-N 1 2 246.314 1.030 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)C#N)CC2 ZINC000599427395 349185485 /nfs/dbraw/zinc/18/54/85/349185485.db2.gz PCOVWTCKJBUGKH-KOLCDFICSA-N 1 2 246.314 1.030 20 30 BDEDLO COC(=O)[C@H]1C[N@H+](CCC#N)Cc2ccccc21 ZINC000599670679 349248428 /nfs/dbraw/zinc/24/84/28/349248428.db2.gz UPLLZOJOXUWLSD-ZDUSSCGKSA-N 1 2 244.294 1.672 20 30 BDEDLO COC(=O)[C@H]1C[N@@H+](CCC#N)Cc2ccccc21 ZINC000599670679 349248429 /nfs/dbraw/zinc/24/84/29/349248429.db2.gz UPLLZOJOXUWLSD-ZDUSSCGKSA-N 1 2 244.294 1.672 20 30 BDEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCC[C@@H]1C#N ZINC000601818120 349351780 /nfs/dbraw/zinc/35/17/80/349351780.db2.gz NKFMHRLDJFGOPV-MNOVXSKESA-N 1 2 232.287 1.034 20 30 BDEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCC[C@H]1C#N ZINC000601818121 349351952 /nfs/dbraw/zinc/35/19/52/349351952.db2.gz NKFMHRLDJFGOPV-QWRGUYRKSA-N 1 2 232.287 1.034 20 30 BDEDLO CCSCC[N@@H+](CCC#N)CCOC ZINC000128542673 349424326 /nfs/dbraw/zinc/42/43/26/349424326.db2.gz UFEMIVMKRKWZRE-UHFFFAOYSA-N 1 2 216.350 1.602 20 30 BDEDLO CCSCC[N@H+](CCC#N)CCOC ZINC000128542673 349424331 /nfs/dbraw/zinc/42/43/31/349424331.db2.gz UFEMIVMKRKWZRE-UHFFFAOYSA-N 1 2 216.350 1.602 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602082148 349430805 /nfs/dbraw/zinc/43/08/05/349430805.db2.gz ASIYQEHNNRYQFQ-OPRDCNLKSA-N 1 2 232.287 1.131 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602082148 349430809 /nfs/dbraw/zinc/43/08/09/349430809.db2.gz ASIYQEHNNRYQFQ-OPRDCNLKSA-N 1 2 232.287 1.131 20 30 BDEDLO C=CCCOCC(=O)Nc1cc[nH+]cc1CC ZINC000603911771 350050125 /nfs/dbraw/zinc/05/01/25/350050125.db2.gz QICYONDPYOQPMB-UHFFFAOYSA-N 1 2 234.299 1.597 20 30 BDEDLO Cc1cc(N[C@@H]2CO[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000402293988 350127841 /nfs/dbraw/zinc/12/78/41/350127841.db2.gz IJMJBPHUBWHYCI-ONGXEEELSA-N 1 2 217.272 1.273 20 30 BDEDLO CCn1cc[nH+]c1CN(C)C[C@H](C)C#N ZINC000336649950 350418374 /nfs/dbraw/zinc/41/83/74/350418374.db2.gz SABCUTHFVXAXIT-SNVBAGLBSA-N 1 2 206.293 1.494 20 30 BDEDLO COC(=O)c1coc(C[NH2+][C@@H](C)CC#N)c1 ZINC000309423674 350451838 /nfs/dbraw/zinc/45/18/38/350451838.db2.gz DYGUYGKBEAVSKV-QMMMGPOBSA-N 1 2 222.244 1.458 20 30 BDEDLO C=CCN(CC=C)C(=O)Cc1[nH]c[nH+]c1C ZINC000278826056 166327728 /nfs/dbraw/zinc/32/77/28/166327728.db2.gz JGROPXNWMZSKCL-UHFFFAOYSA-N 1 2 219.288 1.461 20 30 BDEDLO CC[N@H+](CCn1ccccc1=O)C[C@H](C)C#N ZINC000112091209 350617007 /nfs/dbraw/zinc/61/70/07/350617007.db2.gz PACBPCIPPGLOEQ-GFCCVEGCSA-N 1 2 233.315 1.330 20 30 BDEDLO CC[N@@H+](CCn1ccccc1=O)C[C@H](C)C#N ZINC000112091209 350617012 /nfs/dbraw/zinc/61/70/12/350617012.db2.gz PACBPCIPPGLOEQ-GFCCVEGCSA-N 1 2 233.315 1.330 20 30 BDEDLO C=CCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606900112 350627330 /nfs/dbraw/zinc/62/73/30/350627330.db2.gz LSEOTKJAWAZSBE-QMMMGPOBSA-N 1 2 209.211 1.826 20 30 BDEDLO C=CCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606900112 350627333 /nfs/dbraw/zinc/62/73/33/350627333.db2.gz LSEOTKJAWAZSBE-QMMMGPOBSA-N 1 2 209.211 1.826 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052239226 350940633 /nfs/dbraw/zinc/94/06/33/350940633.db2.gz GRGGNBHISVPMMX-UHFFFAOYSA-N 1 2 236.340 1.692 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397595484 350950822 /nfs/dbraw/zinc/95/08/22/350950822.db2.gz DIFPHUVVFLHHSP-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000397595484 350950827 /nfs/dbraw/zinc/95/08/27/350950827.db2.gz DIFPHUVVFLHHSP-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO CC[C@H](NC(=O)[C@H](C)C#N)c1[nH]cc[nH+]1 ZINC000139662104 351160017 /nfs/dbraw/zinc/16/00/17/351160017.db2.gz HCIUVEVRCXZVRY-SFYZADRCSA-N 1 2 206.249 1.137 20 30 BDEDLO COCCn1cc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000271181172 351407161 /nfs/dbraw/zinc/40/71/61/351407161.db2.gz XBKSXYRMMZPNMZ-NSHDSACASA-N 1 2 236.319 1.263 20 30 BDEDLO COCCn1cc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000271181172 351407167 /nfs/dbraw/zinc/40/71/67/351407167.db2.gz XBKSXYRMMZPNMZ-NSHDSACASA-N 1 2 236.319 1.263 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cc(=O)c(OC)co1 ZINC000267905649 166335706 /nfs/dbraw/zinc/33/57/06/166335706.db2.gz IIHGWGPIEKMHNM-UHFFFAOYSA-N 1 2 235.283 1.822 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276774638 351648291 /nfs/dbraw/zinc/64/82/91/351648291.db2.gz PNCKUEUPLOVTND-SNVBAGLBSA-N 1 2 216.288 1.488 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276774638 351648293 /nfs/dbraw/zinc/64/82/93/351648293.db2.gz PNCKUEUPLOVTND-SNVBAGLBSA-N 1 2 216.288 1.488 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC000276783865 351649447 /nfs/dbraw/zinc/64/94/47/351649447.db2.gz RDXQZYWXBOAGDT-UHFFFAOYSA-N 1 2 216.288 1.632 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC000276783865 351649449 /nfs/dbraw/zinc/64/94/49/351649449.db2.gz RDXQZYWXBOAGDT-UHFFFAOYSA-N 1 2 216.288 1.632 20 30 BDEDLO N#CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC000276511343 351628212 /nfs/dbraw/zinc/62/82/12/351628212.db2.gz BGQHLWHPBWWGRL-UHFFFAOYSA-N 1 2 246.314 1.685 20 30 BDEDLO N#CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC000276511343 351628214 /nfs/dbraw/zinc/62/82/14/351628214.db2.gz BGQHLWHPBWWGRL-UHFFFAOYSA-N 1 2 246.314 1.685 20 30 BDEDLO C=CCC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000340058202 351861759 /nfs/dbraw/zinc/86/17/59/351861759.db2.gz HSXNFUVUARZPSL-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO CC1(C#N)C[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000280996459 351869655 /nfs/dbraw/zinc/86/96/55/351869655.db2.gz MHDKGPBZPBYLCC-CQSZACIVSA-N 1 2 244.338 1.826 20 30 BDEDLO NC(=[NH+]OCc1cncc(F)c1)[C@@H]1CCCO1 ZINC000284436501 351996952 /nfs/dbraw/zinc/99/69/52/351996952.db2.gz PBSXTTSLVQJDQK-JTQLQIEISA-N 1 2 239.250 1.189 20 30 BDEDLO C=CCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366647274 352117990 /nfs/dbraw/zinc/11/79/90/352117990.db2.gz WZRBYKZLKZCWRG-LBPRGKRZSA-N 1 2 247.342 1.918 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000288027306 352139263 /nfs/dbraw/zinc/13/92/63/352139263.db2.gz CVVHWDLKDQADCX-SNVBAGLBSA-N 1 2 219.288 1.116 20 30 BDEDLO COc1cncc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000290294025 352219565 /nfs/dbraw/zinc/21/95/65/352219565.db2.gz NCQVSJGRGBZKHW-JTQLQIEISA-N 1 2 219.288 1.682 20 30 BDEDLO COc1cncc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000290294025 352219568 /nfs/dbraw/zinc/21/95/68/352219568.db2.gz NCQVSJGRGBZKHW-JTQLQIEISA-N 1 2 219.288 1.682 20 30 BDEDLO C=C[C@H]([NH2+]CC1(CC)CCC1)C(=O)OC ZINC000300936937 363168409 /nfs/dbraw/zinc/16/84/09/363168409.db2.gz CTQORVNLGQBAFN-JTQLQIEISA-N 1 2 211.305 1.884 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CSC ZINC000292161000 352305194 /nfs/dbraw/zinc/30/51/94/352305194.db2.gz KYPYEKAVNGBAQL-SNVBAGLBSA-N 1 2 214.334 1.112 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CSC ZINC000292161000 352305195 /nfs/dbraw/zinc/30/51/95/352305195.db2.gz KYPYEKAVNGBAQL-SNVBAGLBSA-N 1 2 214.334 1.112 20 30 BDEDLO C[C@@H](CCC#N)[N@H+](C)CC(=O)OC(C)(C)C ZINC000411228698 191170999 /nfs/dbraw/zinc/17/09/99/191170999.db2.gz PJDXHFHZRROUMJ-JTQLQIEISA-N 1 2 226.320 1.952 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000411228698 191171000 /nfs/dbraw/zinc/17/10/00/191171000.db2.gz PJDXHFHZRROUMJ-JTQLQIEISA-N 1 2 226.320 1.952 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1nccs1 ZINC000292930778 352333333 /nfs/dbraw/zinc/33/33/33/352333333.db2.gz YWVYJQHKGOSZES-UHFFFAOYSA-N 1 2 212.318 1.778 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1nccs1 ZINC000292930778 352333337 /nfs/dbraw/zinc/33/33/37/352333337.db2.gz YWVYJQHKGOSZES-UHFFFAOYSA-N 1 2 212.318 1.778 20 30 BDEDLO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)C[C@H](C)[S@]1=O ZINC000411716431 191205684 /nfs/dbraw/zinc/20/56/84/191205684.db2.gz FYMWHBCTYGGTRE-AZKPJATDSA-N 1 2 242.388 1.910 20 30 BDEDLO CC[C@@H]1C[N@H+]([C@H](C)CCC#N)C[C@H](C)[S@]1=O ZINC000411716431 191205685 /nfs/dbraw/zinc/20/56/85/191205685.db2.gz FYMWHBCTYGGTRE-AZKPJATDSA-N 1 2 242.388 1.910 20 30 BDEDLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000412063280 191256772 /nfs/dbraw/zinc/25/67/72/191256772.db2.gz CSLOIIXWIJGUOI-FZMZJTMJSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000412063280 191256775 /nfs/dbraw/zinc/25/67/75/191256775.db2.gz CSLOIIXWIJGUOI-FZMZJTMJSA-N 1 2 246.310 1.140 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000334281363 352921832 /nfs/dbraw/zinc/92/18/32/352921832.db2.gz XCEFGZAIABGOIZ-JTQLQIEISA-N 1 2 248.248 1.679 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000334281363 352921833 /nfs/dbraw/zinc/92/18/33/352921833.db2.gz XCEFGZAIABGOIZ-JTQLQIEISA-N 1 2 248.248 1.679 20 30 BDEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)NCC#N ZINC000334314948 352946010 /nfs/dbraw/zinc/94/60/10/352946010.db2.gz MVCUGPMUZBAIOL-SNVBAGLBSA-N 1 2 229.283 1.203 20 30 BDEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)NCC#N ZINC000334314948 352946013 /nfs/dbraw/zinc/94/60/13/352946013.db2.gz MVCUGPMUZBAIOL-SNVBAGLBSA-N 1 2 229.283 1.203 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@H](O)CC2)n1 ZINC000354728398 188063441 /nfs/dbraw/zinc/06/34/41/188063441.db2.gz GZHCVTLTGVJMNT-JTQLQIEISA-N 1 2 237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](O)CC2)n1 ZINC000354728398 188063443 /nfs/dbraw/zinc/06/34/43/188063443.db2.gz GZHCVTLTGVJMNT-JTQLQIEISA-N 1 2 237.328 1.362 20 30 BDEDLO C=C(Cl)C[S@@](=O)Cc1c[nH+]cn1C ZINC000268190052 188089545 /nfs/dbraw/zinc/08/95/45/188089545.db2.gz VWQIAQMJHDYFCS-CYBMUJFWSA-N 1 2 218.709 1.421 20 30 BDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000329535254 538109243 /nfs/dbraw/zinc/10/92/43/538109243.db2.gz ZDXCAUINLJNQEY-CABZTGNLSA-N 1 2 237.303 1.866 20 30 BDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000329535254 538109244 /nfs/dbraw/zinc/10/92/44/538109244.db2.gz ZDXCAUINLJNQEY-CABZTGNLSA-N 1 2 237.303 1.866 20 30 BDEDLO C#CCC[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC000273415103 188091392 /nfs/dbraw/zinc/09/13/92/188091392.db2.gz QWZPBXNASBJYNU-WDEREUQCSA-N 1 2 211.305 1.577 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274156133 188091567 /nfs/dbraw/zinc/09/15/67/188091567.db2.gz FWPVETRAHFKEIN-SNVBAGLBSA-N 1 2 243.738 1.275 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274156133 188091569 /nfs/dbraw/zinc/09/15/69/188091569.db2.gz FWPVETRAHFKEIN-SNVBAGLBSA-N 1 2 243.738 1.275 20 30 BDEDLO Cn1c(C[NH2+][C@H]2CCC[C@H]2C#N)nnc1C1CC1 ZINC000329617304 538109315 /nfs/dbraw/zinc/10/93/15/538109315.db2.gz SPHFRAWTOLSUIH-QWRGUYRKSA-N 1 2 245.330 1.474 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccco2)no1 ZINC000266894484 188088165 /nfs/dbraw/zinc/08/81/65/188088165.db2.gz DVXNLSJFDBUGRV-UHFFFAOYSA-N 1 2 231.255 1.785 20 30 BDEDLO C#CC[N@H+](CC)Cc1nc(-c2ccco2)no1 ZINC000266894484 188088167 /nfs/dbraw/zinc/08/81/67/188088167.db2.gz DVXNLSJFDBUGRV-UHFFFAOYSA-N 1 2 231.255 1.785 20 30 BDEDLO CCCn1c(C)nnc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330825015 353183728 /nfs/dbraw/zinc/18/37/28/353183728.db2.gz IGLNZUCFQBASAY-NEPJUHHUSA-N 1 2 247.346 1.778 20 30 BDEDLO CC(C)(C)n1cc(C(=O)NCc2[nH]cc[nH+]2)nn1 ZINC000331107251 353219658 /nfs/dbraw/zinc/21/96/58/353219658.db2.gz RGOPMLIXQVJXTC-UHFFFAOYSA-N 1 2 248.290 1.261 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CCc1c[nH+]cn1C ZINC000331040244 353212414 /nfs/dbraw/zinc/21/24/14/353212414.db2.gz CQZZUCHASWLWPT-SNVBAGLBSA-N 1 2 234.303 1.113 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000121290643 324008581 /nfs/dbraw/zinc/00/85/81/324008581.db2.gz MDIBLZHPIIYGQE-LBPRGKRZSA-N 1 2 229.283 1.202 20 30 BDEDLO C=CC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000121290643 324008585 /nfs/dbraw/zinc/00/85/85/324008585.db2.gz MDIBLZHPIIYGQE-LBPRGKRZSA-N 1 2 229.283 1.202 20 30 BDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156646892 188154847 /nfs/dbraw/zinc/15/48/47/188154847.db2.gz NTFJAZKPKSSUSI-CQSZACIVSA-N 1 2 242.322 1.573 20 30 BDEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156646892 188154849 /nfs/dbraw/zinc/15/48/49/188154849.db2.gz NTFJAZKPKSSUSI-CQSZACIVSA-N 1 2 242.322 1.573 20 30 BDEDLO COCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331235029 353235531 /nfs/dbraw/zinc/23/55/31/353235531.db2.gz LGEZCXYVEBFKOO-UHFFFAOYSA-N 1 2 237.303 1.979 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(C)(C)C ZINC000250641158 353271668 /nfs/dbraw/zinc/27/16/68/353271668.db2.gz UCVNKUPBKGKNMS-GHMZBOCLSA-N 1 2 239.363 1.771 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(C)(C)C ZINC000250641158 353271670 /nfs/dbraw/zinc/27/16/70/353271670.db2.gz UCVNKUPBKGKNMS-GHMZBOCLSA-N 1 2 239.363 1.771 20 30 BDEDLO CN(C)C(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000128984794 353307250 /nfs/dbraw/zinc/30/72/50/353307250.db2.gz XPXSXJMHBZUMQG-UHFFFAOYSA-N 1 2 248.301 1.197 20 30 BDEDLO CN(C)C(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000128984794 353307254 /nfs/dbraw/zinc/30/72/54/353307254.db2.gz XPXSXJMHBZUMQG-UHFFFAOYSA-N 1 2 248.301 1.197 20 30 BDEDLO C=CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000162745112 353330329 /nfs/dbraw/zinc/33/03/29/353330329.db2.gz GJBMDDOTGCOFEC-LLVKDONJSA-N 1 2 246.314 1.146 20 30 BDEDLO C=CC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000280207920 353419456 /nfs/dbraw/zinc/41/94/56/353419456.db2.gz RAHVMBHMHNDQHI-JTQLQIEISA-N 1 2 221.304 1.434 20 30 BDEDLO C#CC[N@@H+](Cc1ccnn1CCCOC)C1CC1 ZINC000282792386 353483936 /nfs/dbraw/zinc/48/39/36/353483936.db2.gz MCUBPJNOUCPLKN-UHFFFAOYSA-N 1 2 247.342 1.517 20 30 BDEDLO C#CC[N@H+](Cc1ccnn1CCCOC)C1CC1 ZINC000282792386 353483939 /nfs/dbraw/zinc/48/39/39/353483939.db2.gz MCUBPJNOUCPLKN-UHFFFAOYSA-N 1 2 247.342 1.517 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnn(C(C)(C)C)c1 ZINC000093475622 353486475 /nfs/dbraw/zinc/48/64/75/353486475.db2.gz KCRFCBJVLFRTDF-UHFFFAOYSA-N 1 2 229.327 1.707 20 30 BDEDLO CC#CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000283199616 353492630 /nfs/dbraw/zinc/49/26/30/353492630.db2.gz MOELVWLRGTZUAM-NWDGAFQWSA-N 1 2 231.299 1.316 20 30 BDEDLO CC[N@H+](CC#Cc1ccccc1)[C@@H]1CCNC1=O ZINC000282393848 353470189 /nfs/dbraw/zinc/47/01/89/353470189.db2.gz PEHLMANKDIRHOF-CQSZACIVSA-N 1 2 242.322 1.249 20 30 BDEDLO CC[N@@H+](CC#Cc1ccccc1)[C@@H]1CCNC1=O ZINC000282393848 353470191 /nfs/dbraw/zinc/47/01/91/353470191.db2.gz PEHLMANKDIRHOF-CQSZACIVSA-N 1 2 242.322 1.249 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(COC)no1 ZINC000182476045 353478500 /nfs/dbraw/zinc/47/85/00/353478500.db2.gz OBJFANMRGDUJDL-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(COC)no1 ZINC000182476045 353478501 /nfs/dbraw/zinc/47/85/01/353478501.db2.gz OBJFANMRGDUJDL-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283949816 353506594 /nfs/dbraw/zinc/50/65/94/353506594.db2.gz DKPGKLPLTITHGD-UHFFFAOYSA-N 1 2 249.226 1.568 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283949816 353506597 /nfs/dbraw/zinc/50/65/97/353506597.db2.gz DKPGKLPLTITHGD-UHFFFAOYSA-N 1 2 249.226 1.568 20 30 BDEDLO C=CCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284043557 353507928 /nfs/dbraw/zinc/50/79/28/353507928.db2.gz PXQZIYYGJCMQQH-VOTSOKGWSA-N 1 2 219.288 1.848 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCCn1cc[nH+]c1 ZINC000134872050 353515678 /nfs/dbraw/zinc/51/56/78/353515678.db2.gz RLUNQPAUYUYQFA-GFCCVEGCSA-N 1 2 221.304 1.602 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000192218720 353536582 /nfs/dbraw/zinc/53/65/82/353536582.db2.gz QCXDNGSTGWADHN-GFCCVEGCSA-N 1 2 242.322 1.529 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000192218720 353536587 /nfs/dbraw/zinc/53/65/87/353536587.db2.gz QCXDNGSTGWADHN-GFCCVEGCSA-N 1 2 242.322 1.529 20 30 BDEDLO C#CC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285426272 353542845 /nfs/dbraw/zinc/54/28/45/353542845.db2.gz HBODMJCSVSZKGD-UHFFFAOYSA-N 1 2 203.241 1.220 20 30 BDEDLO C#CC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285426272 353542848 /nfs/dbraw/zinc/54/28/48/353542848.db2.gz HBODMJCSVSZKGD-UHFFFAOYSA-N 1 2 203.241 1.220 20 30 BDEDLO C=CCCOCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287595464 353579782 /nfs/dbraw/zinc/57/97/82/353579782.db2.gz HONPYPRLQDAAEL-UHFFFAOYSA-N 1 2 237.303 1.051 20 30 BDEDLO C#C[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287444746 353583404 /nfs/dbraw/zinc/58/34/04/353583404.db2.gz HOBSJPZZODALST-SECBINFHSA-N 1 2 217.272 1.842 20 30 BDEDLO CC#CCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000165739498 353601713 /nfs/dbraw/zinc/60/17/13/353601713.db2.gz MJXNWVGBHXSUCQ-LLVKDONJSA-N 1 2 243.310 1.852 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ncnn1CC ZINC000285971296 353554696 /nfs/dbraw/zinc/55/46/96/353554696.db2.gz DSLSZQYGLHVNPX-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1ncnn1CC ZINC000285971296 353554697 /nfs/dbraw/zinc/55/46/97/353554697.db2.gz DSLSZQYGLHVNPX-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192810795 353569317 /nfs/dbraw/zinc/56/93/17/353569317.db2.gz LHPUVMMPZZMSRS-SECBINFHSA-N 1 2 205.261 1.117 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192810795 353569320 /nfs/dbraw/zinc/56/93/20/353569320.db2.gz LHPUVMMPZZMSRS-SECBINFHSA-N 1 2 205.261 1.117 20 30 BDEDLO C#Cc1ccc(C[NH2+][C@H](C(=O)OC)C2CC2)cc1 ZINC000289939844 353643360 /nfs/dbraw/zinc/64/33/60/353643360.db2.gz ZKEMDFGEOUNVPN-AWEZNQCLSA-N 1 2 243.306 1.709 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)Nc1cc[nH+]cc1C ZINC000290670359 353667458 /nfs/dbraw/zinc/66/74/58/353667458.db2.gz DCJXCJKBQXEMAZ-GFCCVEGCSA-N 1 2 220.272 1.656 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000343322041 353686166 /nfs/dbraw/zinc/68/61/66/353686166.db2.gz QBKGFVDJATXJMA-RKDXNWHRSA-N 1 2 248.248 1.678 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000343322041 353686169 /nfs/dbraw/zinc/68/61/69/353686169.db2.gz QBKGFVDJATXJMA-RKDXNWHRSA-N 1 2 248.248 1.678 20 30 BDEDLO C=CCC(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292425967 353713745 /nfs/dbraw/zinc/71/37/45/353713745.db2.gz LFKSJWZYVQSQJW-UHFFFAOYSA-N 1 2 233.315 1.828 20 30 BDEDLO C#CCOCSc1[nH+]cnc2c1cnn2C ZINC000292532263 353715716 /nfs/dbraw/zinc/71/57/16/353715716.db2.gz AIPHKZDVKILFRD-UHFFFAOYSA-N 1 2 234.284 1.063 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1[nH+]ccn1CC ZINC000295541935 353808579 /nfs/dbraw/zinc/80/85/79/353808579.db2.gz KSTVBHTXCNUVOB-UHFFFAOYSA-N 1 2 221.304 1.731 20 30 BDEDLO N#CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343341820 353808590 /nfs/dbraw/zinc/80/85/90/353808590.db2.gz KCYSTIFRSOSSBA-UHFFFAOYSA-N 1 2 241.254 1.179 20 30 BDEDLO C=CC[C@@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000296211300 353816253 /nfs/dbraw/zinc/81/62/53/353816253.db2.gz AHDGVQNYLBGEBV-SNVBAGLBSA-N 1 2 236.319 1.667 20 30 BDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC)C(C)C ZINC000296910439 353836713 /nfs/dbraw/zinc/83/67/13/353836713.db2.gz NQDPKBLNKMGMFL-LLVKDONJSA-N 1 2 248.330 1.360 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366825741 353875498 /nfs/dbraw/zinc/87/54/98/353875498.db2.gz MKLSMSUBIPEFFM-QMMMGPOBSA-N 1 2 239.706 1.698 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366825741 353875502 /nfs/dbraw/zinc/87/55/02/353875502.db2.gz MKLSMSUBIPEFFM-QMMMGPOBSA-N 1 2 239.706 1.698 20 30 BDEDLO C=C(CC)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343750947 353972930 /nfs/dbraw/zinc/97/29/30/353972930.db2.gz ZTCOTSYXYWAKIS-UHFFFAOYSA-N 1 2 236.319 1.656 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000366848512 354023230 /nfs/dbraw/zinc/02/32/30/354023230.db2.gz GEDNKTXUNWTLIQ-NWDGAFQWSA-N 1 2 245.326 1.220 20 30 BDEDLO C=C[C@H]([NH2+]CCCSCC)C(=O)OC ZINC000301005344 363285753 /nfs/dbraw/zinc/28/57/53/363285753.db2.gz YRVJEJNGHKXOEY-VIFPVBQESA-N 1 2 217.334 1.447 20 30 BDEDLO C=C(CC)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344076557 354134017 /nfs/dbraw/zinc/13/40/17/354134017.db2.gz VXDPMCSBXNBDND-SNVBAGLBSA-N 1 2 236.319 1.656 20 30 BDEDLO C=C(CC)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344076557 354134020 /nfs/dbraw/zinc/13/40/20/354134020.db2.gz VXDPMCSBXNBDND-SNVBAGLBSA-N 1 2 236.319 1.656 20 30 BDEDLO N#Cc1cc(F)ccc1NCC[NH+]1CCOCC1 ZINC000071564138 181088241 /nfs/dbraw/zinc/08/82/41/181088241.db2.gz VRBVMMXPINCCMZ-UHFFFAOYSA-N 1 2 249.289 1.441 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCSC1)C(=O)OC ZINC000301043576 363370403 /nfs/dbraw/zinc/37/04/03/363370403.db2.gz LOUVSADQPVZGCD-IUCAKERBSA-N 1 2 215.318 1.057 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000334299864 181106204 /nfs/dbraw/zinc/10/62/04/181106204.db2.gz SAYOAFLEJCXSRL-IUCAKERBSA-N 1 2 240.303 1.524 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000334299864 181106208 /nfs/dbraw/zinc/10/62/08/181106208.db2.gz SAYOAFLEJCXSRL-IUCAKERBSA-N 1 2 240.303 1.524 20 30 BDEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000020362280 181121660 /nfs/dbraw/zinc/12/16/60/181121660.db2.gz WVSLJTGVYKPMQB-UHFFFAOYSA-N 1 2 227.271 1.652 20 30 BDEDLO COC1C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000334738943 354541812 /nfs/dbraw/zinc/54/18/12/354541812.db2.gz DLDLQKVHIYZLFC-UHFFFAOYSA-N 1 2 216.284 1.697 20 30 BDEDLO Cc1cc(C)c(CNC(=O)[C@@]2(C#N)C[C@H]2C)c[nH+]1 ZINC000334743561 354546535 /nfs/dbraw/zinc/54/65/35/354546535.db2.gz VUVOLOAXWNTVPN-QMTHXVAHSA-N 1 2 243.310 1.864 20 30 BDEDLO C=C[C@H]([NH2+]CC1(SC)CCC1)C(=O)OC ZINC000301052011 363396567 /nfs/dbraw/zinc/39/65/67/363396567.db2.gz VHTTYUSSWAMXLK-VIFPVBQESA-N 1 2 229.345 1.589 20 30 BDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H](C)C#N ZINC000346291499 354878018 /nfs/dbraw/zinc/87/80/18/354878018.db2.gz IMMSNNFTHYMWOD-GHMZBOCLSA-N 1 2 248.330 1.029 20 30 BDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@H](C)C#N ZINC000346291499 354878019 /nfs/dbraw/zinc/87/80/19/354878019.db2.gz IMMSNNFTHYMWOD-GHMZBOCLSA-N 1 2 248.330 1.029 20 30 BDEDLO N#Cc1ccncc1NCCCn1cc[nH+]c1 ZINC000135590930 181158650 /nfs/dbraw/zinc/15/86/50/181158650.db2.gz UQUPFTXFLMQPMW-UHFFFAOYSA-N 1 2 227.271 1.652 20 30 BDEDLO C[C@@H](CC#N)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335184285 355082686 /nfs/dbraw/zinc/08/26/86/355082686.db2.gz VSTFYCHYSKNJOA-VIFPVBQESA-N 1 2 243.270 1.758 20 30 BDEDLO N#Cc1ncccc1NCCCn1cc[nH+]c1 ZINC000129860465 181171829 /nfs/dbraw/zinc/17/18/29/181171829.db2.gz XBCIKZGRNMOJDX-UHFFFAOYSA-N 1 2 227.271 1.652 20 30 BDEDLO NC(CCO)=[NH+]OCc1cccc(Cl)c1F ZINC000187857256 181182539 /nfs/dbraw/zinc/18/25/39/181182539.db2.gz VDNVLEPXCIJUKD-UHFFFAOYSA-N 1 2 246.669 1.650 20 30 BDEDLO C=C(CC)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413325158 191368146 /nfs/dbraw/zinc/36/81/46/191368146.db2.gz UKWPRLKVCCVOBG-SNVBAGLBSA-N 1 2 236.319 1.069 20 30 BDEDLO C=C(CC)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413325158 191368148 /nfs/dbraw/zinc/36/81/48/191368148.db2.gz UKWPRLKVCCVOBG-SNVBAGLBSA-N 1 2 236.319 1.069 20 30 BDEDLO C=C[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413310474 191371024 /nfs/dbraw/zinc/37/10/24/191371024.db2.gz NJLUNBDEYMGUTQ-MRVPVSSYSA-N 1 2 220.276 1.010 20 30 BDEDLO C=C[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413310474 191371026 /nfs/dbraw/zinc/37/10/26/191371026.db2.gz NJLUNBDEYMGUTQ-MRVPVSSYSA-N 1 2 220.276 1.010 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583502444 355330454 /nfs/dbraw/zinc/33/04/54/355330454.db2.gz OWIAYJMYOQXRTC-LLVKDONJSA-N 1 2 233.315 1.528 20 30 BDEDLO COCC[N@H+](CCC#N)CCC(C)(C)C#N ZINC000087592187 355397300 /nfs/dbraw/zinc/39/73/00/355397300.db2.gz STGBTHGOFCDCOE-UHFFFAOYSA-N 1 2 223.320 1.788 20 30 BDEDLO COCC[N@@H+](CCC#N)CCC(C)(C)C#N ZINC000087592187 355397301 /nfs/dbraw/zinc/39/73/01/355397301.db2.gz STGBTHGOFCDCOE-UHFFFAOYSA-N 1 2 223.320 1.788 20 30 BDEDLO CCC[N@H+](CC#N)C[C@@H](O)CCOC(C)C ZINC000349848938 355477696 /nfs/dbraw/zinc/47/76/96/355477696.db2.gz BJBSSRDZHQWYFJ-LBPRGKRZSA-N 1 2 228.336 1.398 20 30 BDEDLO CCC[N@@H+](CC#N)C[C@@H](O)CCOC(C)C ZINC000349848938 355477699 /nfs/dbraw/zinc/47/76/99/355477699.db2.gz BJBSSRDZHQWYFJ-LBPRGKRZSA-N 1 2 228.336 1.398 20 30 BDEDLO C=C[C@@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000350652164 355737697 /nfs/dbraw/zinc/73/76/97/355737697.db2.gz HPWPMNMOLCYVCC-JTQLQIEISA-N 1 2 235.287 1.367 20 30 BDEDLO Cc1noc([C@@H]2CC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000329055703 355891679 /nfs/dbraw/zinc/89/16/79/355891679.db2.gz SLNUSGXDWZBRID-SNVBAGLBSA-N 1 2 232.287 1.471 20 30 BDEDLO Cc1noc([C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000329055703 355891683 /nfs/dbraw/zinc/89/16/83/355891683.db2.gz SLNUSGXDWZBRID-SNVBAGLBSA-N 1 2 232.287 1.471 20 30 BDEDLO CC(C)(CCC#N)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418086066 191964891 /nfs/dbraw/zinc/96/48/91/191964891.db2.gz XUVPNEYEEPPKPP-UHFFFAOYSA-N 1 2 244.360 1.045 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000617565701 356126541 /nfs/dbraw/zinc/12/65/41/356126541.db2.gz YSMWTMRHYYYEQF-HUBLWGQQSA-N 1 2 227.373 1.631 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000617565701 356126542 /nfs/dbraw/zinc/12/65/42/356126542.db2.gz YSMWTMRHYYYEQF-HUBLWGQQSA-N 1 2 227.373 1.631 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCCC1=O ZINC000330063310 356167440 /nfs/dbraw/zinc/16/74/40/356167440.db2.gz PZJMJDOYNYOXDR-JTQLQIEISA-N 1 2 249.314 1.678 20 30 BDEDLO CC1CC(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330179162 356177863 /nfs/dbraw/zinc/17/78/63/356177863.db2.gz FEOUXDQZWCQDFD-YVNMAJEFSA-N 1 2 248.330 1.500 20 30 BDEDLO CC1CC([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330179162 356177865 /nfs/dbraw/zinc/17/78/65/356177865.db2.gz FEOUXDQZWCQDFD-YVNMAJEFSA-N 1 2 248.330 1.500 20 30 BDEDLO [O-]C(NC1CCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330195285 356181275 /nfs/dbraw/zinc/18/12/75/356181275.db2.gz ZNNQAMYAKLGWMP-NSHDSACASA-N 1 2 248.330 1.644 20 30 BDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCCC1 ZINC000330195285 356181279 /nfs/dbraw/zinc/18/12/79/356181279.db2.gz ZNNQAMYAKLGWMP-NSHDSACASA-N 1 2 248.330 1.644 20 30 BDEDLO CC#CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000336160284 134110687 /nfs/dbraw/zinc/11/06/87/134110687.db2.gz DUIPAQRZRRSDNG-NWDGAFQWSA-N 1 2 221.300 1.080 20 30 BDEDLO CC#CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000336160284 134110688 /nfs/dbraw/zinc/11/06/88/134110688.db2.gz DUIPAQRZRRSDNG-NWDGAFQWSA-N 1 2 221.300 1.080 20 30 BDEDLO C=CC[NH+](CC(=O)Nc1ccccn1)C1CC1 ZINC000639559652 356469191 /nfs/dbraw/zinc/46/91/91/356469191.db2.gz SCTBQTSJBVTOIR-UHFFFAOYSA-N 1 2 231.299 1.671 20 30 BDEDLO C[C@H]1C[C@@H](O)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000449774103 202031759 /nfs/dbraw/zinc/03/17/59/202031759.db2.gz LCFVCWGTVKVVIA-WCBMZHEXSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000449774103 202031763 /nfs/dbraw/zinc/03/17/63/202031763.db2.gz LCFVCWGTVKVVIA-WCBMZHEXSA-N 1 2 237.328 1.217 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000613565108 363494395 /nfs/dbraw/zinc/49/43/95/363494395.db2.gz VGEGUUKWOCFVGS-UHFFFAOYSA-N 1 2 246.310 1.183 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000613565108 363494400 /nfs/dbraw/zinc/49/44/00/363494400.db2.gz VGEGUUKWOCFVGS-UHFFFAOYSA-N 1 2 246.310 1.183 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304174 356595356 /nfs/dbraw/zinc/59/53/56/356595356.db2.gz RZROMNRRZAWFOE-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304175 356595470 /nfs/dbraw/zinc/59/54/70/356595470.db2.gz RZROMNRRZAWFOE-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO Cc1ccccc1C[NH+]1CC(O)(CC#N)C1 ZINC000336458909 134147707 /nfs/dbraw/zinc/14/77/07/134147707.db2.gz NZCBVGJGSZAUGO-UHFFFAOYSA-N 1 2 216.284 1.455 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000088256868 356640237 /nfs/dbraw/zinc/64/02/37/356640237.db2.gz MTVIZHXMDVIINO-JTQLQIEISA-N 1 2 222.288 1.318 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000088256868 356640239 /nfs/dbraw/zinc/64/02/39/356640239.db2.gz MTVIZHXMDVIINO-JTQLQIEISA-N 1 2 222.288 1.318 20 30 BDEDLO C=C[C@H]([NH2+]CCCC(C)(F)F)C(=O)OC ZINC000389705567 356883484 /nfs/dbraw/zinc/88/34/84/356883484.db2.gz XZMCWFSDPFNCPE-QMMMGPOBSA-N 1 2 221.247 1.739 20 30 BDEDLO N#CCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610079401 357064376 /nfs/dbraw/zinc/06/43/76/357064376.db2.gz SGZWZDPGBCNEAV-VIFPVBQESA-N 1 2 236.237 1.943 20 30 BDEDLO N#CCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610079401 357064377 /nfs/dbraw/zinc/06/43/77/357064377.db2.gz SGZWZDPGBCNEAV-VIFPVBQESA-N 1 2 236.237 1.943 20 30 BDEDLO C=CCOCC(=O)Nc1cc[nH+]cc1CC ZINC000358287578 134187539 /nfs/dbraw/zinc/18/75/39/134187539.db2.gz OYICKQCNSRZFQG-UHFFFAOYSA-N 1 2 220.272 1.207 20 30 BDEDLO CC#CC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000390497977 357096964 /nfs/dbraw/zinc/09/69/64/357096964.db2.gz SSKTUONYLVMLSY-LBPRGKRZSA-N 1 2 223.316 1.721 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)CCCC#N ZINC000584360828 357327591 /nfs/dbraw/zinc/32/75/91/357327591.db2.gz SMLZSEMKSHDNPZ-UHFFFAOYSA-N 1 2 220.276 1.213 20 30 BDEDLO CCCn1ncnc1C[NH+]1CCC(CC#N)CC1 ZINC000397201221 357507053 /nfs/dbraw/zinc/50/70/53/357507053.db2.gz WKLVUXCTHUVVMZ-UHFFFAOYSA-N 1 2 247.346 1.814 20 30 BDEDLO N#CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000397266241 357508878 /nfs/dbraw/zinc/50/88/78/357508878.db2.gz BKHNPAPRQNASQA-UHFFFAOYSA-N 1 2 232.287 1.035 20 30 BDEDLO Cc1ccc(CCNc2cc(C#N)ccn2)c[nH+]1 ZINC000583100183 357480066 /nfs/dbraw/zinc/48/00/66/357480066.db2.gz JKWDPMTUUYXBLN-UHFFFAOYSA-N 1 2 238.294 1.733 20 30 BDEDLO N#CCCC[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000361757683 134207417 /nfs/dbraw/zinc/20/74/17/134207417.db2.gz YXVQPNBITUHTMA-CYBMUJFWSA-N 1 2 238.331 1.418 20 30 BDEDLO C=CCC[C@H](CCC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191965240 357807023 /nfs/dbraw/zinc/80/70/23/357807023.db2.gz MBDFTWMXDXLYFU-WOPDTQHZSA-N 1 2 243.347 1.633 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)C[C@@]2(CCOC2)O1 ZINC000369867057 134223426 /nfs/dbraw/zinc/22/34/26/134223426.db2.gz FZJAKFAOZZAEPH-GFCCVEGCSA-N 1 2 224.304 1.170 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)C[C@@]2(CCOC2)O1 ZINC000369867057 134223427 /nfs/dbraw/zinc/22/34/27/134223427.db2.gz FZJAKFAOZZAEPH-GFCCVEGCSA-N 1 2 224.304 1.170 20 30 BDEDLO N#CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020200054 134223551 /nfs/dbraw/zinc/22/35/51/134223551.db2.gz XLBASBPFCVQFHN-UHFFFAOYSA-N 1 2 205.217 1.598 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000370502562 134226549 /nfs/dbraw/zinc/22/65/49/134226549.db2.gz GNFQUZDQJMJYHJ-MNOVXSKESA-N 1 2 237.303 1.534 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000370502562 134226550 /nfs/dbraw/zinc/22/65/50/134226550.db2.gz GNFQUZDQJMJYHJ-MNOVXSKESA-N 1 2 237.303 1.534 20 30 BDEDLO C=CCN1CC[N@H+](CC=C)[C@H](c2cnn(C)c2)C1 ZINC000371746690 134229409 /nfs/dbraw/zinc/22/94/09/134229409.db2.gz LIKGFLGMYCMLTF-AWEZNQCLSA-N 1 2 246.358 1.451 20 30 BDEDLO C=CCN1CC[N@@H+](CC=C)[C@H](c2cnn(C)c2)C1 ZINC000371746690 134229410 /nfs/dbraw/zinc/22/94/10/134229410.db2.gz LIKGFLGMYCMLTF-AWEZNQCLSA-N 1 2 246.358 1.451 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000373530400 134234621 /nfs/dbraw/zinc/23/46/21/134234621.db2.gz QUSHKDZZHZMFQN-LBPRGKRZSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000373530400 134234622 /nfs/dbraw/zinc/23/46/22/134234622.db2.gz QUSHKDZZHZMFQN-LBPRGKRZSA-N 1 2 208.305 1.791 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000639970563 358023006 /nfs/dbraw/zinc/02/30/06/358023006.db2.gz QHENKOUYUOZDJC-LBPRGKRZSA-N 1 2 223.320 1.477 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000639970563 358023008 /nfs/dbraw/zinc/02/30/08/358023008.db2.gz QHENKOUYUOZDJC-LBPRGKRZSA-N 1 2 223.320 1.477 20 30 BDEDLO COc1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000036667868 358049945 /nfs/dbraw/zinc/04/99/45/358049945.db2.gz VPEFXEGRYYBCIG-JTQLQIEISA-N 1 2 204.273 1.944 20 30 BDEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCCC#N ZINC000610827050 358208554 /nfs/dbraw/zinc/20/85/54/358208554.db2.gz XJYMTHSBYKRESK-NSHDSACASA-N 1 2 242.319 1.189 20 30 BDEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCCC#N ZINC000610827050 358208557 /nfs/dbraw/zinc/20/85/57/358208557.db2.gz XJYMTHSBYKRESK-NSHDSACASA-N 1 2 242.319 1.189 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)CCCn1cc[nH+]c1 ZINC000104273963 358215467 /nfs/dbraw/zinc/21/54/67/358215467.db2.gz KHIUXSJVMXELPT-GFCCVEGCSA-N 1 2 248.330 1.671 20 30 BDEDLO C=C(C)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000547669211 325382547 /nfs/dbraw/zinc/38/25/47/325382547.db2.gz JGFQFMHXYWTGBU-UHFFFAOYSA-N 1 2 219.288 1.818 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324291 358521389 /nfs/dbraw/zinc/52/13/89/358521389.db2.gz NIGCISCWYCXPGV-RYUDHWBXSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324291 358521391 /nfs/dbraw/zinc/52/13/91/358521391.db2.gz NIGCISCWYCXPGV-RYUDHWBXSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324294 358521470 /nfs/dbraw/zinc/52/14/70/358521470.db2.gz SKMLLDXEHBDSTO-WDEREUQCSA-N 1 2 225.336 1.383 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324294 358521473 /nfs/dbraw/zinc/52/14/73/358521473.db2.gz SKMLLDXEHBDSTO-WDEREUQCSA-N 1 2 225.336 1.383 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCCNC1=O ZINC000042449637 358523687 /nfs/dbraw/zinc/52/36/87/358523687.db2.gz OLNUPHXAHZTDMC-WDEREUQCSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCCNC1=O ZINC000042449637 358523689 /nfs/dbraw/zinc/52/36/89/358523689.db2.gz OLNUPHXAHZTDMC-WDEREUQCSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454399 358524512 /nfs/dbraw/zinc/52/45/12/358524512.db2.gz GBJHXKMFBOTAAF-LBPRGKRZSA-N 1 2 239.363 1.917 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454399 358524516 /nfs/dbraw/zinc/52/45/16/358524516.db2.gz GBJHXKMFBOTAAF-LBPRGKRZSA-N 1 2 239.363 1.917 20 30 BDEDLO CC(C)(C)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176254734 134289515 /nfs/dbraw/zinc/28/95/15/134289515.db2.gz ORMFJLZBHHNXQL-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO CC(C)(C)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176254734 134289516 /nfs/dbraw/zinc/28/95/16/134289516.db2.gz ORMFJLZBHHNXQL-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO Cn1c[nH+]cc1CN(CC#N)C1CCCC1 ZINC000177121465 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C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000619717805 369547375 /nfs/dbraw/zinc/54/73/75/369547375.db2.gz LWAJTTQNDCJCGK-MNOVXSKESA-N 1 2 235.283 1.797 20 30 BDEDLO CN(Cc1[nH+]ccn1C)[C@H]1CCC[C@H]1C#N ZINC000250617749 369560863 /nfs/dbraw/zinc/56/08/63/369560863.db2.gz HXDKNKKJXGDPMQ-QWRGUYRKSA-N 1 2 218.304 1.544 20 30 BDEDLO Cc1cc(C[NH+]2CC(C)(O)C2)ccc1C#N ZINC000602689539 369841407 /nfs/dbraw/zinc/84/14/07/369841407.db2.gz WLNLZZKYHKSJGO-UHFFFAOYSA-N 1 2 216.284 1.433 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602453410 369789388 /nfs/dbraw/zinc/78/93/88/369789388.db2.gz JADJFZWNQKVUDA-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602453410 369789394 /nfs/dbraw/zinc/78/93/94/369789394.db2.gz JADJFZWNQKVUDA-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC(C)(Nc1ccnc(C#N)n1)c1[nH]cc[nH+]1 ZINC000603407557 369953419 /nfs/dbraw/zinc/95/34/19/369953419.db2.gz VKWBFHUZDYHUMA-UHFFFAOYSA-N 1 2 228.259 1.419 20 30 BDEDLO C=CCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620593985 369946579 /nfs/dbraw/zinc/94/65/79/369946579.db2.gz AHFWMIDOBQPFMV-SECBINFHSA-N 1 2 207.277 1.564 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCS[C@H]1C)C(=O)OC ZINC000389290848 371128222 /nfs/dbraw/zinc/12/82/22/371128222.db2.gz ZCTTVXMWBFHOCA-XHNCKOQMSA-N 1 2 215.318 1.198 20 30 BDEDLO Cn1nc(C[NH2+]CCC#N)c2ccccc21 ZINC000390757527 371232318 /nfs/dbraw/zinc/23/23/18/371232318.db2.gz JDNOQWSXPAFPDG-UHFFFAOYSA-N 1 2 214.272 1.577 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627621751 371788014 /nfs/dbraw/zinc/78/80/14/371788014.db2.gz HLXKOVMXZQSIJL-GFCCVEGCSA-N 1 2 247.342 1.836 20 30 BDEDLO CN(CCC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171678046 372731218 /nfs/dbraw/zinc/73/12/18/372731218.db2.gz CFFKPQBSZGDKBJ-UHFFFAOYSA-N 1 2 228.255 1.320 20 30 BDEDLO C=CCOCCNc1[nH+]cccc1OC ZINC000379787310 373061288 /nfs/dbraw/zinc/06/12/88/373061288.db2.gz FUUDCVCCMIRQSJ-UHFFFAOYSA-N 1 2 208.261 1.705 20 30 BDEDLO Cc1cc(NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC000175152585 374295384 /nfs/dbraw/zinc/29/53/84/374295384.db2.gz JSNCITQKBWGAOF-UHFFFAOYSA-N 1 2 226.239 1.842 20 30 BDEDLO C#CCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000373794715 533005740 /nfs/dbraw/zinc/00/57/40/533005740.db2.gz IWPGLMLJWNWGNP-UHFFFAOYSA-N 1 2 245.326 1.919 20 30 BDEDLO C#CCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373794715 533005754 /nfs/dbraw/zinc/00/57/54/533005754.db2.gz IWPGLMLJWNWGNP-UHFFFAOYSA-N 1 2 245.326 1.919 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=C)Br ZINC000307209809 383996782 /nfs/dbraw/zinc/99/67/82/383996782.db2.gz PNVSWIWXZVNHEJ-QMMMGPOBSA-N 1 2 202.095 1.849 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=C)Br ZINC000307209809 383996787 /nfs/dbraw/zinc/99/67/87/383996787.db2.gz PNVSWIWXZVNHEJ-QMMMGPOBSA-N 1 2 202.095 1.849 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000117022867 384132080 /nfs/dbraw/zinc/13/20/80/384132080.db2.gz FIFODPVAQOZWRK-JTQLQIEISA-N 1 2 222.292 1.147 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cnccc1C#N ZINC000135597447 384194119 /nfs/dbraw/zinc/19/41/19/384194119.db2.gz QYIAHZJISKYWAJ-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C#CCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000360990918 533047639 /nfs/dbraw/zinc/04/76/39/533047639.db2.gz SDELGFQOEDKDIN-JTQLQIEISA-N 1 2 204.277 1.355 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ccc(F)cn2)o1 ZINC000344875241 384196865 /nfs/dbraw/zinc/19/68/65/384196865.db2.gz DWURSRCECDHAMZ-UHFFFAOYSA-N 1 2 231.230 1.975 20 30 BDEDLO C#CCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000360990918 533047648 /nfs/dbraw/zinc/04/76/48/533047648.db2.gz SDELGFQOEDKDIN-JTQLQIEISA-N 1 2 204.277 1.355 20 30 BDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000157623122 384232726 /nfs/dbraw/zinc/23/27/26/384232726.db2.gz WEDMQSNPBWLUSH-JTQLQIEISA-N 1 2 232.283 1.552 20 30 BDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000157623122 384232733 /nfs/dbraw/zinc/23/27/33/384232733.db2.gz WEDMQSNPBWLUSH-JTQLQIEISA-N 1 2 232.283 1.552 20 30 BDEDLO Cc1cc(N[C@@H]2CCCSC2)c(C#N)c[nH+]1 ZINC000335510911 384296078 /nfs/dbraw/zinc/29/60/78/384296078.db2.gz MXANKWCQMYAKJL-LLVKDONJSA-N 1 2 233.340 1.991 20 30 BDEDLO Cc1cc(NC2CC(C)C2)c(C#N)c[nH+]1 ZINC000335513485 384296475 /nfs/dbraw/zinc/29/64/75/384296475.db2.gz SVCGXVOPYFZIQK-UHFFFAOYSA-N 1 2 201.273 1.894 20 30 BDEDLO C[C@H]1C[C@H]([NH2+]CCC#N)C(=O)N1c1ccccc1 ZINC000565536088 384427366 /nfs/dbraw/zinc/42/73/66/384427366.db2.gz UKCSLAKXKGMQIN-AAEUAGOBSA-N 1 2 243.310 1.684 20 30 BDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000083126953 384507922 /nfs/dbraw/zinc/50/79/22/384507922.db2.gz MDOLFBCYVWCIAP-CYBMUJFWSA-N 1 2 244.294 1.868 20 30 BDEDLO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000049067518 384518991 /nfs/dbraw/zinc/51/89/91/384518991.db2.gz JPDKYDVTTFTJRQ-NSHDSACASA-N 1 2 245.326 1.780 20 30 BDEDLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000049067518 384518999 /nfs/dbraw/zinc/51/89/99/384518999.db2.gz JPDKYDVTTFTJRQ-NSHDSACASA-N 1 2 245.326 1.780 20 30 BDEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000161846872 384532682 /nfs/dbraw/zinc/53/26/82/384532682.db2.gz CVPOEPHNRHRUMH-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000161846872 384532687 /nfs/dbraw/zinc/53/26/87/384532687.db2.gz CVPOEPHNRHRUMH-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO Cc1c[nH+]c(CN[C@@H]2CCC[C@@H]2C#N)n1C ZINC000309714731 384555417 /nfs/dbraw/zinc/55/54/17/384555417.db2.gz SHGDSOIQNKGXOU-GHMZBOCLSA-N 1 2 218.304 1.510 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000491382048 384614121 /nfs/dbraw/zinc/61/41/21/384614121.db2.gz HILULLSKCWKFSK-JQWIXIFHSA-N 1 2 233.315 1.362 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000491382048 384614128 /nfs/dbraw/zinc/61/41/28/384614128.db2.gz HILULLSKCWKFSK-JQWIXIFHSA-N 1 2 233.315 1.362 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)C2(C#N)CC(C)C2)C1 ZINC000379104832 384598760 /nfs/dbraw/zinc/59/87/60/384598760.db2.gz QKCWNGNOZYKDHC-UHFFFAOYSA-N 1 2 235.331 1.135 20 30 BDEDLO C#CCn1ccc(C[N@H+](CCOC)CC(=C)C)n1 ZINC000491392252 384673923 /nfs/dbraw/zinc/67/39/23/384673923.db2.gz BGPCQNHLQCTLIO-UHFFFAOYSA-N 1 2 247.342 1.541 20 30 BDEDLO C#CCn1ccc(C[N@@H+](CCOC)CC(=C)C)n1 ZINC000491392252 384673926 /nfs/dbraw/zinc/67/39/26/384673926.db2.gz BGPCQNHLQCTLIO-UHFFFAOYSA-N 1 2 247.342 1.541 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000103460832 384774740 /nfs/dbraw/zinc/77/47/40/384774740.db2.gz AMZPMGHVMOWXJM-VIFPVBQESA-N 1 2 248.282 1.855 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000103460832 384774743 /nfs/dbraw/zinc/77/47/43/384774743.db2.gz AMZPMGHVMOWXJM-VIFPVBQESA-N 1 2 248.282 1.855 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000309951187 384736736 /nfs/dbraw/zinc/73/67/36/384736736.db2.gz GETGDWZMMWSEFW-JTQLQIEISA-N 1 2 222.288 1.221 20 30 BDEDLO CN(CC#N)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000101515144 384780633 /nfs/dbraw/zinc/78/06/33/384780633.db2.gz CBNJMJDKLLUVRA-UHFFFAOYSA-N 1 2 249.339 1.088 20 30 BDEDLO CN(CC#N)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000101515144 384780637 /nfs/dbraw/zinc/78/06/37/384780637.db2.gz CBNJMJDKLLUVRA-UHFFFAOYSA-N 1 2 249.339 1.088 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491803398 384771842 /nfs/dbraw/zinc/77/18/42/384771842.db2.gz IZBGGGVZYJKDDL-GFCCVEGCSA-N 1 2 245.326 1.862 20 30 BDEDLO C=CC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309776731 384829090 /nfs/dbraw/zinc/82/90/90/384829090.db2.gz PWNQMOGUUNMEAT-MRVPVSSYSA-N 1 2 221.308 1.623 20 30 BDEDLO C=CC[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309776731 384829096 /nfs/dbraw/zinc/82/90/96/384829096.db2.gz PWNQMOGUUNMEAT-MRVPVSSYSA-N 1 2 221.308 1.623 20 30 BDEDLO C=CCC[C@@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000449654892 384831302 /nfs/dbraw/zinc/83/13/02/384831302.db2.gz FVGCHZNJYIJPMP-HTAVTVPLSA-N 1 2 241.331 1.651 20 30 BDEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000156599965 384904296 /nfs/dbraw/zinc/90/42/96/384904296.db2.gz SFSYNIYIZQQELJ-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000156599965 384904300 /nfs/dbraw/zinc/90/43/00/384904300.db2.gz SFSYNIYIZQQELJ-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000192233953 384915981 /nfs/dbraw/zinc/91/59/81/384915981.db2.gz RJUAYBBMEGODHH-UHFFFAOYSA-N 1 2 237.690 1.239 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000192233953 384915986 /nfs/dbraw/zinc/91/59/86/384915986.db2.gz RJUAYBBMEGODHH-UHFFFAOYSA-N 1 2 237.690 1.239 20 30 BDEDLO CCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000085264943 384931211 /nfs/dbraw/zinc/93/12/11/384931211.db2.gz KHHXBUOOWIRVSU-UHFFFAOYSA-N 1 2 208.261 1.742 20 30 BDEDLO CC[N@H+](CCOC)Cc1nc(C#N)cs1 ZINC000356081655 384963463 /nfs/dbraw/zinc/96/34/63/384963463.db2.gz GBNOZAQEOCAJPM-UHFFFAOYSA-N 1 2 225.317 1.483 20 30 BDEDLO CC[N@@H+](CCOC)Cc1nc(C#N)cs1 ZINC000356081655 384963472 /nfs/dbraw/zinc/96/34/72/384963472.db2.gz GBNOZAQEOCAJPM-UHFFFAOYSA-N 1 2 225.317 1.483 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491514136 385073609 /nfs/dbraw/zinc/07/36/09/385073609.db2.gz GXRSLTYNGBKBCO-HBNTYKKESA-N 1 2 246.314 1.600 20 30 BDEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000298077707 385102533 /nfs/dbraw/zinc/10/25/33/385102533.db2.gz VHZKPOFRUWQOAR-NSHDSACASA-N 1 2 248.330 1.219 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccncc2F)nn1 ZINC000424174246 385106909 /nfs/dbraw/zinc/10/69/09/385106909.db2.gz RKHXDCMJMOCPMY-UHFFFAOYSA-N 1 2 247.277 1.288 20 30 BDEDLO C#CCN(C(=O)NCc1[nH+]ccn1CC)C1CC1 ZINC000298120011 385167701 /nfs/dbraw/zinc/16/77/01/385167701.db2.gz NKLJTHXRAKKFKB-UHFFFAOYSA-N 1 2 246.314 1.210 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1nnc(CC)[nH]1 ZINC000157540083 385200918 /nfs/dbraw/zinc/20/09/18/385200918.db2.gz MWMAZRWRONMQBP-UHFFFAOYSA-N 1 2 208.309 1.765 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nnc(CC)[nH]1 ZINC000157540083 385200925 /nfs/dbraw/zinc/20/09/25/385200925.db2.gz MWMAZRWRONMQBP-UHFFFAOYSA-N 1 2 208.309 1.765 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1nc(C#N)cs1 ZINC000308840054 385212559 /nfs/dbraw/zinc/21/25/59/385212559.db2.gz JRCHWPZANLYOEM-UHFFFAOYSA-N 1 2 220.301 1.654 20 30 BDEDLO CC#CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000165993099 385213070 /nfs/dbraw/zinc/21/30/70/385213070.db2.gz ZXAFBGJFBAKTDX-JTQLQIEISA-N 1 2 212.293 1.360 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](C)[C@H](C)C1=O ZINC000491340311 385369888 /nfs/dbraw/zinc/36/98/88/385369888.db2.gz WZEPTNSPOOCETE-DCAQKATOSA-N 1 2 208.305 1.012 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](C)[C@H](C)C1=O ZINC000491340311 385369892 /nfs/dbraw/zinc/36/98/92/385369892.db2.gz WZEPTNSPOOCETE-DCAQKATOSA-N 1 2 208.305 1.012 20 30 BDEDLO C#CC[NH+](CC#C)CCNC(=O)OC(C)(C)C ZINC000040428123 533119195 /nfs/dbraw/zinc/11/91/95/533119195.db2.gz XBXCHAMIYCNPGS-UHFFFAOYSA-N 1 2 236.315 1.080 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OC)s1 ZINC000119528796 533120001 /nfs/dbraw/zinc/12/00/01/533120001.db2.gz HDTUJXLTICPWED-UHFFFAOYSA-N 1 2 247.319 1.603 20 30 BDEDLO Cc1cnc(CC[N@H+](C)CCC#N)s1 ZINC000157835271 385525702 /nfs/dbraw/zinc/52/57/02/385525702.db2.gz PNEOIBIDEXJUOK-UHFFFAOYSA-N 1 2 209.318 1.840 20 30 BDEDLO Cc1cnc(CC[N@@H+](C)CCC#N)s1 ZINC000157835271 385525707 /nfs/dbraw/zinc/52/57/07/385525707.db2.gz PNEOIBIDEXJUOK-UHFFFAOYSA-N 1 2 209.318 1.840 20 30 BDEDLO Cc1ccnc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000408159573 385577339 /nfs/dbraw/zinc/57/73/39/385577339.db2.gz QNOOXZKJSOQCQO-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO CN(C)c1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000281243698 385649837 /nfs/dbraw/zinc/64/98/37/385649837.db2.gz GHLDGUWMYQWEMV-UHFFFAOYSA-N 1 2 249.318 1.261 20 30 BDEDLO Cc1cc(N2CCC(=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000644874639 385799048 /nfs/dbraw/zinc/79/90/48/385799048.db2.gz JILDNZPRKLOJEA-SECBINFHSA-N 1 2 229.283 1.677 20 30 BDEDLO Cn1c[nH+]cc1CNc1cc(C#N)ccn1 ZINC000309507607 385920018 /nfs/dbraw/zinc/92/00/18/385920018.db2.gz NUAMHFMZBLAYIH-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000177637807 533158155 /nfs/dbraw/zinc/15/81/55/533158155.db2.gz NBYFPSALVWNNTD-UHFFFAOYSA-N 1 2 236.265 1.720 20 30 BDEDLO Cc1cc(N2CC[C@H](C)[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000398945791 386206745 /nfs/dbraw/zinc/20/67/45/386206745.db2.gz AUDUGUZYYTWMPR-ZANVPECISA-N 1 2 231.299 1.469 20 30 BDEDLO N#C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000424965987 386250905 /nfs/dbraw/zinc/25/09/05/386250905.db2.gz KUYHRVLYKLKQEB-VHSXEESVSA-N 1 2 232.287 1.151 20 30 BDEDLO COc1ccncc1C[NH+]1CCC(F)(C#N)CC1 ZINC000347210542 386284099 /nfs/dbraw/zinc/28/40/99/386284099.db2.gz PVTXTDUWUKCJDA-UHFFFAOYSA-N 1 2 249.289 1.918 20 30 BDEDLO Cc1cc(NCC(C)(C)C(C)(C)O)c(C#N)c[nH+]1 ZINC000398983365 386318752 /nfs/dbraw/zinc/31/87/52/386318752.db2.gz HAFHSUKZMKOROE-UHFFFAOYSA-N 1 2 247.342 1.893 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347351723 386345528 /nfs/dbraw/zinc/34/55/28/386345528.db2.gz KJKWXQFXQIDXFV-GFCCVEGCSA-N 1 2 241.310 1.182 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347351723 386345534 /nfs/dbraw/zinc/34/55/34/386345534.db2.gz KJKWXQFXQIDXFV-GFCCVEGCSA-N 1 2 241.310 1.182 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CCC)CCC ZINC000192234951 386488037 /nfs/dbraw/zinc/48/80/37/386488037.db2.gz RFEIWDLSPQWJOI-UHFFFAOYSA-N 1 2 210.321 1.200 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CCC)CCC ZINC000192234951 386488044 /nfs/dbraw/zinc/48/80/44/386488044.db2.gz RFEIWDLSPQWJOI-UHFFFAOYSA-N 1 2 210.321 1.200 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000335409212 386570837 /nfs/dbraw/zinc/57/08/37/386570837.db2.gz QQXFZSWIKAXRLF-GFCCVEGCSA-N 1 2 238.356 1.498 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000335409212 386570842 /nfs/dbraw/zinc/57/08/42/386570842.db2.gz QQXFZSWIKAXRLF-GFCCVEGCSA-N 1 2 238.356 1.498 20 30 BDEDLO C=C(C)CCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000450717646 386633487 /nfs/dbraw/zinc/63/34/87/386633487.db2.gz QNAAVWVWLBGBCI-UHFFFAOYSA-N 1 2 248.330 1.691 20 30 BDEDLO C=C(C)CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000450717646 386633492 /nfs/dbraw/zinc/63/34/92/386633492.db2.gz QNAAVWVWLBGBCI-UHFFFAOYSA-N 1 2 248.330 1.691 20 30 BDEDLO Cc1ncc(NC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000328863246 386634547 /nfs/dbraw/zinc/63/45/47/386634547.db2.gz ZEGKKJKBLRFHKM-QMMMGPOBSA-N 1 2 241.316 1.370 20 30 BDEDLO Cc1ncc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000328863246 386634549 /nfs/dbraw/zinc/63/45/49/386634549.db2.gz ZEGKKJKBLRFHKM-QMMMGPOBSA-N 1 2 241.316 1.370 20 30 BDEDLO C[C@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000328854260 386635291 /nfs/dbraw/zinc/63/52/91/386635291.db2.gz JMJLUJNVQHQVCY-MFKMUULPSA-N 1 2 249.314 1.581 20 30 BDEDLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328945097 386648982 /nfs/dbraw/zinc/64/89/82/386648982.db2.gz LZKOGDVQZKLJCA-PWSUYJOCSA-N 1 2 249.314 1.173 20 30 BDEDLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328961125 386663730 /nfs/dbraw/zinc/66/37/30/386663730.db2.gz QMYWPLICDFMERR-VDDIYKPWSA-N 1 2 249.314 1.649 20 30 BDEDLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328961125 386663736 /nfs/dbraw/zinc/66/37/36/386663736.db2.gz QMYWPLICDFMERR-VDDIYKPWSA-N 1 2 249.314 1.649 20 30 BDEDLO C=C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000525886735 386708919 /nfs/dbraw/zinc/70/89/19/386708919.db2.gz YWTKBHFVYUCQLM-UHFFFAOYSA-N 1 2 233.315 1.201 20 30 BDEDLO CSCCCNC(=O)NCc1[nH+]ccn1C ZINC000330473907 386728083 /nfs/dbraw/zinc/72/80/83/386728083.db2.gz GRRSXUFIJLRFDE-UHFFFAOYSA-N 1 2 242.348 1.177 20 30 BDEDLO CCCCCNC(=O)NCc1[nH+]ccn1C ZINC000330511817 386745518 /nfs/dbraw/zinc/74/55/18/386745518.db2.gz BSBFBVJVQXWMPR-UHFFFAOYSA-N 1 2 224.308 1.614 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330516374 386748168 /nfs/dbraw/zinc/74/81/68/386748168.db2.gz FGGYKIKMGLATRH-LLVKDONJSA-N 1 2 246.314 1.208 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330523477 386771769 /nfs/dbraw/zinc/77/17/69/386771769.db2.gz KIJATGZKYDRCGE-NSHDSACASA-N 1 2 246.314 1.208 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330523474 386772000 /nfs/dbraw/zinc/77/20/00/386772000.db2.gz KIJATGZKYDRCGE-LLVKDONJSA-N 1 2 246.314 1.208 20 30 BDEDLO Cc1ocnc1C(=O)NCc1[nH+]ccn1C ZINC000330535774 386779608 /nfs/dbraw/zinc/77/96/08/386779608.db2.gz POQYSFKPCLCQRG-UHFFFAOYSA-N 1 2 220.232 1.221 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccn1 ZINC000330621539 386823247 /nfs/dbraw/zinc/82/32/47/386823247.db2.gz MIPNAPMADJAJRV-LLVKDONJSA-N 1 2 249.314 1.107 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccn1 ZINC000330621539 386823250 /nfs/dbraw/zinc/82/32/50/386823250.db2.gz MIPNAPMADJAJRV-LLVKDONJSA-N 1 2 249.314 1.107 20 30 BDEDLO C=C1CC[NH+](CC(=O)NC(=O)NCCC)CC1 ZINC000330703239 386857835 /nfs/dbraw/zinc/85/78/35/386857835.db2.gz KWPDQENCHGFUOJ-UHFFFAOYSA-N 1 2 239.319 1.079 20 30 BDEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1nncn1C ZINC000051814432 386870133 /nfs/dbraw/zinc/87/01/33/386870133.db2.gz UNFNJWBLQYGJPJ-GFCCVEGCSA-N 1 2 240.310 1.517 20 30 BDEDLO C=CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335755710 386882967 /nfs/dbraw/zinc/88/29/67/386882967.db2.gz PYDBJDQBTFBJMQ-MRVPVSSYSA-N 1 2 205.261 1.132 20 30 BDEDLO C=CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335755710 386882971 /nfs/dbraw/zinc/88/29/71/386882971.db2.gz PYDBJDQBTFBJMQ-MRVPVSSYSA-N 1 2 205.261 1.132 20 30 BDEDLO Cc1cc(NCC(=O)NC(C)(C)C)c(C#N)c[nH+]1 ZINC000399536430 386971075 /nfs/dbraw/zinc/97/10/75/386971075.db2.gz WVNYDILNCFPTIQ-UHFFFAOYSA-N 1 2 246.314 1.010 20 30 BDEDLO CO[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399546023 386994400 /nfs/dbraw/zinc/99/44/00/386994400.db2.gz YOOXISUCUNEYDW-LBPRGKRZSA-N 1 2 231.299 1.877 20 30 BDEDLO Cc1cc(NCCCn2cc[nH+]c2)c(C#N)cn1 ZINC000399648009 387070949 /nfs/dbraw/zinc/07/09/49/387070949.db2.gz MBFRHDJLXWXHMC-UHFFFAOYSA-N 1 2 241.298 1.382 20 30 BDEDLO CCOC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057872218 387145046 /nfs/dbraw/zinc/14/50/46/387145046.db2.gz KBNUUSNCFNJTQT-SECBINFHSA-N 1 2 210.277 1.174 20 30 BDEDLO COc1c(O)cccc1C[NH2+]CC1(C#N)CC1 ZINC000571835657 387179306 /nfs/dbraw/zinc/17/93/06/387179306.db2.gz GPKHOGMZLONHBF-UHFFFAOYSA-N 1 2 232.283 1.794 20 30 BDEDLO Cn1ccc(C[NH+]2CCC(F)(C#N)CC2)n1 ZINC000352484263 387248754 /nfs/dbraw/zinc/24/87/54/387248754.db2.gz NEMBKEIWOSZGOT-UHFFFAOYSA-N 1 2 222.267 1.248 20 30 BDEDLO N#CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000514787945 387286134 /nfs/dbraw/zinc/28/61/34/387286134.db2.gz AOTJRQQQYFYGTK-CYBMUJFWSA-N 1 2 243.310 1.291 20 30 BDEDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H](C)C#N)[nH+]1 ZINC000515305928 387361090 /nfs/dbraw/zinc/36/10/90/387361090.db2.gz MBWQFSQPVYMXHC-ZETCQYMHSA-N 1 2 220.276 1.229 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000274398459 387470940 /nfs/dbraw/zinc/47/09/40/387470940.db2.gz YLRNVNBNNWIJFD-VIFPVBQESA-N 1 2 207.277 1.628 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)CCc1c[nH+]cn1C ZINC000527240054 387547778 /nfs/dbraw/zinc/54/77/78/387547778.db2.gz ZJJZLWRQOUIELL-LBPRGKRZSA-N 1 2 234.303 1.161 20 30 BDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCCCC1 ZINC000042454429 387627607 /nfs/dbraw/zinc/62/76/07/387627607.db2.gz QHKBJLBPBFNNEG-GFCCVEGCSA-N 1 2 237.347 1.623 20 30 BDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCCCC1 ZINC000042454429 387627611 /nfs/dbraw/zinc/62/76/11/387627611.db2.gz QHKBJLBPBFNNEG-GFCCVEGCSA-N 1 2 237.347 1.623 20 30 BDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CC#CCOC ZINC000611080242 387775641 /nfs/dbraw/zinc/77/56/41/387775641.db2.gz PACDJOWKMLRCJX-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1CC#CCOC ZINC000611080242 387775644 /nfs/dbraw/zinc/77/56/44/387775644.db2.gz PACDJOWKMLRCJX-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO C=C[C@](C)(O)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333484 387805077 /nfs/dbraw/zinc/80/50/77/387805077.db2.gz JIGIJIPDPZPACX-ZDUSSCGKSA-N 1 2 249.314 1.485 20 30 BDEDLO CCOCC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000444644391 387897862 /nfs/dbraw/zinc/89/78/62/387897862.db2.gz XQEKMMXPZOYENY-ZDUSSCGKSA-N 1 2 240.347 1.542 20 30 BDEDLO CCOCC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000444644391 387897866 /nfs/dbraw/zinc/89/78/66/387897866.db2.gz XQEKMMXPZOYENY-ZDUSSCGKSA-N 1 2 240.347 1.542 20 30 BDEDLO CC(C)OC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000080215420 387984036 /nfs/dbraw/zinc/98/40/36/387984036.db2.gz RCPYIVYIXVDKRH-CYBMUJFWSA-N 1 2 240.347 1.540 20 30 BDEDLO CC(C)OC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000080215420 387984041 /nfs/dbraw/zinc/98/40/41/387984041.db2.gz RCPYIVYIXVDKRH-CYBMUJFWSA-N 1 2 240.347 1.540 20 30 BDEDLO C=CC(C)(C)CNC(=O)NCc1[nH+]ccn1C ZINC000454528552 388121580 /nfs/dbraw/zinc/12/15/80/388121580.db2.gz PDTCTFANYWBAKV-UHFFFAOYSA-N 1 2 236.319 1.432 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454654133 388128635 /nfs/dbraw/zinc/12/86/35/388128635.db2.gz BGMAUQOYSRWHLM-UWVGGRQHSA-N 1 2 236.319 1.838 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000449659292 388249768 /nfs/dbraw/zinc/24/97/68/388249768.db2.gz VQSDVQOOUPJRMD-QWRGUYRKSA-N 1 2 243.372 1.979 20 30 BDEDLO C#CCn1ccc(C[N@@H+](CC)CC2(F)CC2)n1 ZINC000490739498 388251083 /nfs/dbraw/zinc/25/10/83/388251083.db2.gz IUCVTHLQCVRGDO-UHFFFAOYSA-N 1 2 235.306 1.840 20 30 BDEDLO C#CCn1ccc(C[N@H+](CC)CC2(F)CC2)n1 ZINC000490739498 388251084 /nfs/dbraw/zinc/25/10/84/388251084.db2.gz IUCVTHLQCVRGDO-UHFFFAOYSA-N 1 2 235.306 1.840 20 30 BDEDLO C#CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000490917485 388259524 /nfs/dbraw/zinc/25/95/24/388259524.db2.gz YFPQVYRUXFPNQR-UHFFFAOYSA-N 1 2 234.303 1.278 20 30 BDEDLO C#CC[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000490917485 388259525 /nfs/dbraw/zinc/25/95/25/388259525.db2.gz YFPQVYRUXFPNQR-UHFFFAOYSA-N 1 2 234.303 1.278 20 30 BDEDLO C#CC[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000491286710 388282361 /nfs/dbraw/zinc/28/23/61/388282361.db2.gz JFFRYHHKXLUJRA-RYUDHWBXSA-N 1 2 236.359 1.587 20 30 BDEDLO C#CC[N@@H+](Cc1nccc(OC)c1OC)C1CC1 ZINC000491315347 388284312 /nfs/dbraw/zinc/28/43/12/388284312.db2.gz MWRSZCLEETTZHU-UHFFFAOYSA-N 1 2 246.310 1.696 20 30 BDEDLO C#CC[N@H+](Cc1nccc(OC)c1OC)C1CC1 ZINC000491315347 388284314 /nfs/dbraw/zinc/28/43/14/388284314.db2.gz MWRSZCLEETTZHU-UHFFFAOYSA-N 1 2 246.310 1.696 20 30 BDEDLO C#CCN(Cc1[nH+]ccc(OC)c1OC)C1CC1 ZINC000491315347 388284315 /nfs/dbraw/zinc/28/43/15/388284315.db2.gz MWRSZCLEETTZHU-UHFFFAOYSA-N 1 2 246.310 1.696 20 30 BDEDLO CC#CC[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451644066 388287429 /nfs/dbraw/zinc/28/74/29/388287429.db2.gz RTEWZKKJOZQZJP-UHFFFAOYSA-N 1 2 231.295 1.913 20 30 BDEDLO CC#CC[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451644066 388287431 /nfs/dbraw/zinc/28/74/31/388287431.db2.gz RTEWZKKJOZQZJP-UHFFFAOYSA-N 1 2 231.295 1.913 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)[C@@H](C)C(=O)OCCCC ZINC000491404925 388292432 /nfs/dbraw/zinc/29/24/32/388292432.db2.gz FNPPNRYIPDASPP-QWRGUYRKSA-N 1 2 211.305 1.672 20 30 BDEDLO C#C[C@H](C)[N@H+](C)[C@@H](C)C(=O)OCCCC ZINC000491404925 388292433 /nfs/dbraw/zinc/29/24/33/388292433.db2.gz FNPPNRYIPDASPP-QWRGUYRKSA-N 1 2 211.305 1.672 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1sccc1C ZINC000491484933 388298124 /nfs/dbraw/zinc/29/81/24/388298124.db2.gz LTWGWHACJISLQV-NSHDSACASA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1sccc1C ZINC000491484933 388298125 /nfs/dbraw/zinc/29/81/25/388298125.db2.gz LTWGWHACJISLQV-NSHDSACASA-N 1 2 221.325 1.891 20 30 BDEDLO C=C(C)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451831151 388299069 /nfs/dbraw/zinc/29/90/69/388299069.db2.gz JXPRGKCCPFDQCY-SECBINFHSA-N 1 2 207.264 1.901 20 30 BDEDLO C=C(C)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451831151 388299071 /nfs/dbraw/zinc/29/90/71/388299071.db2.gz JXPRGKCCPFDQCY-SECBINFHSA-N 1 2 207.264 1.901 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)CCC(C)C ZINC000491515270 388300102 /nfs/dbraw/zinc/30/01/02/388300102.db2.gz MSTMHNHEMOCDOW-STQMWFEESA-N 1 2 225.332 1.118 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)CCC(C)C ZINC000491515270 388300103 /nfs/dbraw/zinc/30/01/03/388300103.db2.gz MSTMHNHEMOCDOW-STQMWFEESA-N 1 2 225.332 1.118 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451851014 388300996 /nfs/dbraw/zinc/30/09/96/388300996.db2.gz LCRJFHHKBINGJY-NXEZZACHSA-N 1 2 237.290 1.261 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451851014 388300997 /nfs/dbraw/zinc/30/09/97/388300997.db2.gz LCRJFHHKBINGJY-NXEZZACHSA-N 1 2 237.290 1.261 20 30 BDEDLO C#CCN(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491542919 388302636 /nfs/dbraw/zinc/30/26/36/388302636.db2.gz DEKHOBNFOKGWAU-UHFFFAOYSA-N 1 2 245.326 1.863 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000491622034 388305613 /nfs/dbraw/zinc/30/56/13/388305613.db2.gz GHPARLUAUUNAAM-FGEFZZPRSA-N 1 2 217.272 1.341 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000491701594 388312704 /nfs/dbraw/zinc/31/27/04/388312704.db2.gz USQSQECBDNQKTM-JTQLQIEISA-N 1 2 240.310 1.496 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000491701594 388312705 /nfs/dbraw/zinc/31/27/05/388312705.db2.gz USQSQECBDNQKTM-JTQLQIEISA-N 1 2 240.310 1.496 20 30 BDEDLO C#CCN(CC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491709705 388313937 /nfs/dbraw/zinc/31/39/37/388313937.db2.gz WXBANYAKPHGYHR-JTQLQIEISA-N 1 2 219.288 1.070 20 30 BDEDLO C#CCN(CC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491709705 388313938 /nfs/dbraw/zinc/31/39/38/388313938.db2.gz WXBANYAKPHGYHR-JTQLQIEISA-N 1 2 219.288 1.070 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)OC)[nH]1 ZINC000491724263 388314859 /nfs/dbraw/zinc/31/48/59/388314859.db2.gz ATANLFSTPHZCPZ-UHFFFAOYSA-N 1 2 244.294 1.260 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)OC)[nH]1 ZINC000491724263 388314860 /nfs/dbraw/zinc/31/48/60/388314860.db2.gz ATANLFSTPHZCPZ-UHFFFAOYSA-N 1 2 244.294 1.260 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1C ZINC000491728937 388315208 /nfs/dbraw/zinc/31/52/08/388315208.db2.gz MUGKXXBACSUBNI-CQSZACIVSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1C ZINC000491728937 388315209 /nfs/dbraw/zinc/31/52/09/388315209.db2.gz MUGKXXBACSUBNI-CQSZACIVSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491733741 388316138 /nfs/dbraw/zinc/31/61/38/388316138.db2.gz AVEVIWXQUZLXBB-JTQLQIEISA-N 1 2 242.282 1.868 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491739723 388316795 /nfs/dbraw/zinc/31/67/95/388316795.db2.gz SKWFEWKUEQKONQ-GHMZBOCLSA-N 1 2 219.288 1.314 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491750421 388317695 /nfs/dbraw/zinc/31/76/95/388317695.db2.gz RYJKCYBQPLMLGL-UWVGGRQHSA-N 1 2 219.288 1.068 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491750421 388317696 /nfs/dbraw/zinc/31/76/96/388317696.db2.gz RYJKCYBQPLMLGL-UWVGGRQHSA-N 1 2 219.288 1.068 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000491753551 388318164 /nfs/dbraw/zinc/31/81/64/388318164.db2.gz OQNLMCXWBXWZMT-NSHDSACASA-N 1 2 206.289 1.260 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000491753551 388318165 /nfs/dbraw/zinc/31/81/65/388318165.db2.gz OQNLMCXWBXWZMT-NSHDSACASA-N 1 2 206.289 1.260 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000491775558 388319654 /nfs/dbraw/zinc/31/96/54/388319654.db2.gz VCIMLYLZFLYQPT-SECBINFHSA-N 1 2 207.277 1.647 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000491775558 388319655 /nfs/dbraw/zinc/31/96/55/388319655.db2.gz VCIMLYLZFLYQPT-SECBINFHSA-N 1 2 207.277 1.647 20 30 BDEDLO C#CC[N@H+](Cc1cn2cccnc2n1)C1CC1 ZINC000491778414 388320047 /nfs/dbraw/zinc/32/00/47/388320047.db2.gz YLULDSLIDYBZDO-UHFFFAOYSA-N 1 2 226.283 1.327 20 30 BDEDLO C#CC[N@@H+](Cc1cn2cccnc2n1)C1CC1 ZINC000491778414 388320048 /nfs/dbraw/zinc/32/00/48/388320048.db2.gz YLULDSLIDYBZDO-UHFFFAOYSA-N 1 2 226.283 1.327 20 30 BDEDLO C#CCn1ccc(C[N@@H+](CC=C)CCOC)n1 ZINC000491814623 388323176 /nfs/dbraw/zinc/32/31/76/388323176.db2.gz JVIJKDVTTOJAHV-UHFFFAOYSA-N 1 2 233.315 1.151 20 30 BDEDLO C#CCn1ccc(C[N@H+](CC=C)CCOC)n1 ZINC000491814623 388323177 /nfs/dbraw/zinc/32/31/77/388323177.db2.gz JVIJKDVTTOJAHV-UHFFFAOYSA-N 1 2 233.315 1.151 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C#N)CC1 ZINC000492301428 388340876 /nfs/dbraw/zinc/34/08/76/388340876.db2.gz VAUMUVQTOLLJOR-ARJAWSKDSA-N 1 2 230.271 1.089 20 30 BDEDLO CCN(CC#N)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492409654 388343651 /nfs/dbraw/zinc/34/36/51/388343651.db2.gz PZQNFOGCKKITBI-WAYWQWQTSA-N 1 2 232.287 1.288 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)CCc1c[nH+]cn1C ZINC000525998804 388454238 /nfs/dbraw/zinc/45/42/38/388454238.db2.gz UGHMTHQBGHCSSE-JTQLQIEISA-N 1 2 234.303 1.161 20 30 BDEDLO C=CCC[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000316177181 388407179 /nfs/dbraw/zinc/40/71/79/388407179.db2.gz MQYPBUIOUIOPDZ-ZETCQYMHSA-N 1 2 242.710 1.451 20 30 BDEDLO C=CCC[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000316177181 388407182 /nfs/dbraw/zinc/40/71/82/388407182.db2.gz MQYPBUIOUIOPDZ-ZETCQYMHSA-N 1 2 242.710 1.451 20 30 BDEDLO COc1cc(F)cc(C[NH2+]CCC#N)c1 ZINC000312285617 388511626 /nfs/dbraw/zinc/51/16/26/388511626.db2.gz PSJHSVABTKIYSG-UHFFFAOYSA-N 1 2 208.236 1.838 20 30 BDEDLO N#CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000082275283 388611803 /nfs/dbraw/zinc/61/18/03/388611803.db2.gz SJDXSKGULHFGCH-UHFFFAOYSA-N 1 2 226.239 1.724 20 30 BDEDLO CCOC[C@H]1C[N@H+](CCCC#N)CCO1 ZINC000528714652 388560592 /nfs/dbraw/zinc/56/05/92/388560592.db2.gz AXSPVHMPRNHJKJ-LLVKDONJSA-N 1 2 212.293 1.027 20 30 BDEDLO CCOC[C@H]1C[N@@H+](CCCC#N)CCO1 ZINC000528714652 388560595 /nfs/dbraw/zinc/56/05/95/388560595.db2.gz AXSPVHMPRNHJKJ-LLVKDONJSA-N 1 2 212.293 1.027 20 30 BDEDLO C=CC[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185227235 388585376 /nfs/dbraw/zinc/58/53/76/388585376.db2.gz XNEZLBIOYDLZJG-AWEZNQCLSA-N 1 2 215.362 1.796 20 30 BDEDLO C=CC[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185227235 388585379 /nfs/dbraw/zinc/58/53/79/388585379.db2.gz XNEZLBIOYDLZJG-AWEZNQCLSA-N 1 2 215.362 1.796 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000192224343 388676928 /nfs/dbraw/zinc/67/69/28/388676928.db2.gz JAEBTXYAYBFQQH-TXEJJXNPSA-N 1 2 222.332 1.341 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000192224343 388676930 /nfs/dbraw/zinc/67/69/30/388676930.db2.gz JAEBTXYAYBFQQH-TXEJJXNPSA-N 1 2 222.332 1.341 20 30 BDEDLO CC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361488905 388637257 /nfs/dbraw/zinc/63/72/57/388637257.db2.gz AOIPHVBVILVGAH-UHFFFAOYSA-N 1 2 243.310 1.222 20 30 BDEDLO CC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361488905 388637258 /nfs/dbraw/zinc/63/72/58/388637258.db2.gz AOIPHVBVILVGAH-UHFFFAOYSA-N 1 2 243.310 1.222 20 30 BDEDLO COC(=O)[C@H]([NH2+]CCC(C)(C)C#N)C(C)C ZINC000083638088 388644272 /nfs/dbraw/zinc/64/42/72/388644272.db2.gz JRBYYRORGAEFNV-SNVBAGLBSA-N 1 2 226.320 1.713 20 30 BDEDLO CC1CC(C#N)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000124598246 388664582 /nfs/dbraw/zinc/66/45/82/388664582.db2.gz MAZVZQLONVATAI-UHFFFAOYSA-N 1 2 232.287 1.008 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccon1 ZINC000309765657 388664674 /nfs/dbraw/zinc/66/46/74/388664674.db2.gz JMNRDUSZABBISC-QMMMGPOBSA-N 1 2 217.228 1.990 20 30 BDEDLO N#Cc1cc(NCCCCn2cc[nH+]c2)ncn1 ZINC000310831182 388747962 /nfs/dbraw/zinc/74/79/62/388747962.db2.gz YXJDYURYDFETHR-UHFFFAOYSA-N 1 2 242.286 1.437 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cccnc1C#N ZINC000125681027 388804356 /nfs/dbraw/zinc/80/43/56/388804356.db2.gz RDLXYPLLJBWJFP-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO Cn1c[nH+]cc1CSc1ccc(C#N)cn1 ZINC000334831427 388826577 /nfs/dbraw/zinc/82/65/77/388826577.db2.gz UVWZNAOTUGDNRQ-UHFFFAOYSA-N 1 2 230.296 1.979 20 30 BDEDLO C[N@H+](Cc1nnc2n1CCC2)[C@@H]1CC[C@H](C#N)C1 ZINC000555380246 388849447 /nfs/dbraw/zinc/84/94/47/388849447.db2.gz NVCAEXQDDLUZIZ-WDEREUQCSA-N 1 2 245.330 1.348 20 30 BDEDLO C[N@@H+](Cc1nnc2n1CCC2)[C@@H]1CC[C@H](C#N)C1 ZINC000555380246 388849450 /nfs/dbraw/zinc/84/94/50/388849450.db2.gz NVCAEXQDDLUZIZ-WDEREUQCSA-N 1 2 245.330 1.348 20 30 BDEDLO Cc1nc(C[N@@H+](C)[C@H](C)CCCC#N)no1 ZINC001172494128 974842593 /nfs/dbraw/zinc/84/25/93/974842593.db2.gz RIDXVEARSYICOR-SECBINFHSA-N 1 2 222.292 1.892 20 30 BDEDLO Cc1nc(C[N@H+](C)[C@H](C)CCCC#N)no1 ZINC001172494128 974842594 /nfs/dbraw/zinc/84/25/94/974842594.db2.gz RIDXVEARSYICOR-SECBINFHSA-N 1 2 222.292 1.892 20 30 BDEDLO C#C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC000298013147 533252041 /nfs/dbraw/zinc/25/20/41/533252041.db2.gz PAJMPLPUFAXVRV-GFCCVEGCSA-N 1 2 246.314 1.066 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000366843886 533261972 /nfs/dbraw/zinc/26/19/72/533261972.db2.gz HHZUUEMHPGCTOC-NWDGAFQWSA-N 1 2 245.326 1.220 20 30 BDEDLO CC(C)(C#N)C(=O)NCCCCn1cc[nH+]c1 ZINC000044389367 322841795 /nfs/dbraw/zinc/84/17/95/322841795.db2.gz JIZSMJNJEPJMNI-UHFFFAOYSA-N 1 2 234.303 1.329 20 30 BDEDLO C=CCN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000186118142 133675774 /nfs/dbraw/zinc/67/57/74/133675774.db2.gz QJPJNEAZEYRAQI-UHFFFAOYSA-N 1 2 243.310 1.989 20 30 BDEDLO Cn1c(C[NH2+][C@H]2CCC[C@@H]2C#N)nnc1C1CC1 ZINC000329617303 133964562 /nfs/dbraw/zinc/96/45/62/133964562.db2.gz SPHFRAWTOLSUIH-MNOVXSKESA-N 1 2 245.330 1.474 20 30 BDEDLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330305152 134001183 /nfs/dbraw/zinc/00/11/83/134001183.db2.gz KSRXIIATELBHKA-GARJFASQSA-N 1 2 249.314 1.579 20 30 BDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332339524 134004607 /nfs/dbraw/zinc/00/46/07/134004607.db2.gz DQEUJJDSFYDBBI-GWCFXTLKSA-N 1 2 249.314 1.400 20 30 BDEDLO CC#CCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000335930397 134010439 /nfs/dbraw/zinc/01/04/39/134010439.db2.gz VXKKQHKINKMQKQ-UHFFFAOYSA-N 1 2 214.272 1.726 20 30 BDEDLO C=C1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000335935096 134012243 /nfs/dbraw/zinc/01/22/43/134012243.db2.gz QLVMUWHAOJRFLB-UHFFFAOYSA-N 1 2 203.289 1.937 20 30 BDEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336329669 134143815 /nfs/dbraw/zinc/14/38/15/134143815.db2.gz WGRCEXGUMAABHQ-LLVKDONJSA-N 1 2 248.330 1.415 20 30 BDEDLO CC#CCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000336544850 134149129 /nfs/dbraw/zinc/14/91/29/134149129.db2.gz WEOSJYAHUISKLO-GHMZBOCLSA-N 1 2 213.346 1.241 20 30 BDEDLO C=C[C@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353324711 134163239 /nfs/dbraw/zinc/16/32/39/134163239.db2.gz WFDRRTZSHFXRQG-SECBINFHSA-N 1 2 246.270 1.003 20 30 BDEDLO N#CCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000357056975 134182052 /nfs/dbraw/zinc/18/20/52/134182052.db2.gz OYXCAEBQLJZRBQ-UHFFFAOYSA-N 1 2 240.266 1.402 20 30 BDEDLO N#CCC(=O)NCCCCNc1cccc[nH+]1 ZINC000358615831 134190877 /nfs/dbraw/zinc/19/08/77/134190877.db2.gz LBXXJBYRPMWOLJ-UHFFFAOYSA-N 1 2 232.287 1.304 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C(=O)OC ZINC000361111637 134203649 /nfs/dbraw/zinc/20/36/49/134203649.db2.gz UGWFEWSTLBWFMS-TUAOUCFPSA-N 1 2 243.347 1.755 20 30 BDEDLO N#CCCC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000361757683 134207416 /nfs/dbraw/zinc/20/74/16/134207416.db2.gz YXVQPNBITUHTMA-CYBMUJFWSA-N 1 2 238.331 1.418 20 30 BDEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000368140117 134217508 /nfs/dbraw/zinc/21/75/08/134217508.db2.gz YPYYAKKPQFRZDF-ZDUSSCGKSA-N 1 2 247.342 1.813 20 30 BDEDLO CC#CCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000368140117 134217509 /nfs/dbraw/zinc/21/75/09/134217509.db2.gz YPYYAKKPQFRZDF-ZDUSSCGKSA-N 1 2 247.342 1.813 20 30 BDEDLO OC1(C2CC2)C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000368470623 134218749 /nfs/dbraw/zinc/21/87/49/134218749.db2.gz MUVGODXEFAILCW-UHFFFAOYSA-N 1 2 245.297 1.634 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368949145 134221139 /nfs/dbraw/zinc/22/11/39/134221139.db2.gz HBBNARMRHYIJTL-GHMZBOCLSA-N 1 2 233.315 1.526 20 30 BDEDLO N#CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020200056 134223556 /nfs/dbraw/zinc/22/35/56/134223556.db2.gz YVQGOABNBBNRLU-UHFFFAOYSA-N 1 2 205.217 1.598 20 30 BDEDLO N#CCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000020200213 134223733 /nfs/dbraw/zinc/22/37/33/134223733.db2.gz BYAUYBJIOVNVDI-UHFFFAOYSA-N 1 2 227.267 1.531 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000372254244 134230900 /nfs/dbraw/zinc/23/09/00/134230900.db2.gz DUICLEJWEDTWER-AWEZNQCLSA-N 1 2 231.295 1.789 20 30 BDEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000372254244 134230901 /nfs/dbraw/zinc/23/09/01/134230901.db2.gz DUICLEJWEDTWER-AWEZNQCLSA-N 1 2 231.295 1.789 20 30 BDEDLO Cc1cn2c([nH+]1)CN(CCCC#N)CC2 ZINC000374697197 134237762 /nfs/dbraw/zinc/23/77/62/134237762.db2.gz FMMMACBMWMAGCF-UHFFFAOYSA-N 1 2 204.277 1.311 20 30 BDEDLO C=CCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376425048 134242198 /nfs/dbraw/zinc/24/21/98/134242198.db2.gz HHMWXPWJEWEIGM-NSHDSACASA-N 1 2 248.330 1.495 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000376881028 134243577 /nfs/dbraw/zinc/24/35/77/134243577.db2.gz XLRACYSJHSBTGE-UHFFFAOYSA-N 1 2 220.320 1.622 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnc2n1CCCC2 ZINC000376881028 134243578 /nfs/dbraw/zinc/24/35/78/134243578.db2.gz XLRACYSJHSBTGE-UHFFFAOYSA-N 1 2 220.320 1.622 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179868709 134324176 /nfs/dbraw/zinc/32/41/76/134324176.db2.gz NFOSNZDZTCNEIL-SECBINFHSA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179868709 134324177 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ZINC000661239743 411740455 /nfs/dbraw/zinc/74/04/55/411740455.db2.gz ITQJLLAPFWNNMJ-JTQLQIEISA-N 1 2 238.335 1.390 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513795 411794282 /nfs/dbraw/zinc/79/42/82/411794282.db2.gz LFEJYMXMVSRISX-CYBMUJFWSA-N 1 2 248.301 1.875 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661513795 411794287 /nfs/dbraw/zinc/79/42/87/411794287.db2.gz LFEJYMXMVSRISX-CYBMUJFWSA-N 1 2 248.301 1.875 20 30 BDEDLO C=CC1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631114354 411849854 /nfs/dbraw/zinc/84/98/54/411849854.db2.gz CDJZEKQLXMDCGS-UHFFFAOYSA-N 1 2 219.292 1.165 20 30 BDEDLO C=CC1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000631114354 411849858 /nfs/dbraw/zinc/84/98/58/411849858.db2.gz CDJZEKQLXMDCGS-UHFFFAOYSA-N 1 2 219.292 1.165 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000662165416 412014607 /nfs/dbraw/zinc/01/46/07/412014607.db2.gz GEUUTOBXVFKRSJ-DTWKUNHWSA-N 1 2 239.319 1.565 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+](CC)C[C@@H](C)C#N 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/nfs/dbraw/zinc/03/56/03/174035603.db2.gz FAKXLPKNZZLUPO-UHFFFAOYSA-N 1 2 202.257 1.389 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](CO)O1 ZINC000191718079 176304753 /nfs/dbraw/zinc/30/47/53/176304753.db2.gz UIJMNNOJJRWVGU-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](CO)O1 ZINC000191718079 176304754 /nfs/dbraw/zinc/30/47/54/176304754.db2.gz UIJMNNOJJRWVGU-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H]([NH2+]Cc1nncn1C)c1cccc(C#N)c1 ZINC000038007954 176884659 /nfs/dbraw/zinc/88/46/59/176884659.db2.gz ACDCYSJKIDGXPU-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296157002 177274171 /nfs/dbraw/zinc/27/41/71/177274171.db2.gz KDMGYERLCUFZFK-QWRGUYRKSA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296157002 177274172 /nfs/dbraw/zinc/27/41/72/177274172.db2.gz KDMGYERLCUFZFK-QWRGUYRKSA-N 1 2 243.310 1.440 20 30 BDEDLO N#CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCC1 ZINC000493557757 226243537 /nfs/dbraw/zinc/24/35/37/226243537.db2.gz PRFSPLPIZOXEHE-AATRIKPKSA-N 1 2 244.298 1.718 20 30 BDEDLO N#CC1(C[N@H+](CCO)Cc2cccc(F)c2)CC1 ZINC000494291573 226263709 /nfs/dbraw/zinc/26/37/09/226263709.db2.gz XVTYUVBOCZYANI-UHFFFAOYSA-N 1 2 248.301 1.924 20 30 BDEDLO N#CC1(C[N@@H+](CCO)Cc2cccc(F)c2)CC1 ZINC000494291573 226263710 /nfs/dbraw/zinc/26/37/10/226263710.db2.gz XVTYUVBOCZYANI-UHFFFAOYSA-N 1 2 248.301 1.924 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000671629060 487658758 /nfs/dbraw/zinc/65/87/58/487658758.db2.gz PQFKJKNAMSXPFF-LBPRGKRZSA-N 1 2 219.288 1.196 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000671629060 487658765 /nfs/dbraw/zinc/65/87/65/487658765.db2.gz PQFKJKNAMSXPFF-LBPRGKRZSA-N 1 2 219.288 1.196 20 30 BDEDLO Cc1cc(NC[C@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000399357116 267300579 /nfs/dbraw/zinc/30/05/79/267300579.db2.gz GEIAUTVGLUEVHU-GFCCVEGCSA-N 1 2 231.299 1.665 20 30 BDEDLO C=C(C)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000679191056 487776686 /nfs/dbraw/zinc/77/66/86/487776686.db2.gz PKNRMZGSNBFFAV-UHFFFAOYSA-N 1 2 229.287 1.675 20 30 BDEDLO C=CCOCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000666490660 487820269 /nfs/dbraw/zinc/82/02/69/487820269.db2.gz UHRSXZVUZKJPBX-UHFFFAOYSA-N 1 2 249.314 1.526 20 30 BDEDLO Cc1c[nH+]c(C)nc1NCCCCC#N ZINC000569019234 322942880 /nfs/dbraw/zinc/94/28/80/322942880.db2.gz HXSYGTKFKAVPGB-UHFFFAOYSA-N 1 2 204.277 1.621 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cnc(C)cn1 ZINC000505848627 527643770 /nfs/dbraw/zinc/64/37/70/527643770.db2.gz WQZFRYWNUJAWKZ-UHFFFAOYSA-N 1 2 203.289 1.959 20 30 BDEDLO Cc1cc(-n2cc[nH+]c2)ccc1C(=O)NO ZINC000671996117 487926271 /nfs/dbraw/zinc/92/62/71/487926271.db2.gz PFLYMFPFXFQQHS-UHFFFAOYSA-N 1 2 217.228 1.300 20 30 BDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NO)C2 ZINC000671996459 487927857 /nfs/dbraw/zinc/92/78/57/487927857.db2.gz TYUOQJIDWFIMPY-ZETCQYMHSA-N 1 2 223.276 1.143 20 30 BDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NO)CC2 ZINC000671996459 487927863 /nfs/dbraw/zinc/92/78/63/487927863.db2.gz TYUOQJIDWFIMPY-ZETCQYMHSA-N 1 2 223.276 1.143 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000157497218 323008822 /nfs/dbraw/zinc/00/88/22/323008822.db2.gz MCBFZMXRPYRMSW-UHFFFAOYSA-N 1 2 233.315 1.124 20 30 BDEDLO CC#CCN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000157497218 323008823 /nfs/dbraw/zinc/00/88/23/323008823.db2.gz MCBFZMXRPYRMSW-UHFFFAOYSA-N 1 2 233.315 1.124 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569707115 323038017 /nfs/dbraw/zinc/03/80/17/323038017.db2.gz USBPHRXLWLPDLI-MWLCHTKSSA-N 1 2 234.303 1.253 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569707115 323038018 /nfs/dbraw/zinc/03/80/18/323038018.db2.gz USBPHRXLWLPDLI-MWLCHTKSSA-N 1 2 234.303 1.253 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000572638186 323050965 /nfs/dbraw/zinc/05/09/65/323050965.db2.gz TZCBGKCYIGQLKY-APPZFPTMSA-N 1 2 225.317 1.224 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)c2ccc(C#N)s2)C1 ZINC000570290676 323055379 /nfs/dbraw/zinc/05/53/79/323055379.db2.gz KKNHHUHWYOBPFB-UHFFFAOYSA-N 1 2 249.339 1.442 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000570573685 323063309 /nfs/dbraw/zinc/06/33/09/323063309.db2.gz QZOAVUUTIIQWCO-DRZSPHRISA-N 1 2 235.331 1.137 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000562997882 323078853 /nfs/dbraw/zinc/07/88/53/323078853.db2.gz WATQQVZXVSEDGX-JQWIXIFHSA-N 1 2 249.314 1.050 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000562997882 323078854 /nfs/dbraw/zinc/07/88/54/323078854.db2.gz WATQQVZXVSEDGX-JQWIXIFHSA-N 1 2 249.314 1.050 20 30 BDEDLO C[C@H]1C[C@@H](Nc2cncc(C#N)n2)c2[nH+]ccn21 ZINC000563052826 323082932 /nfs/dbraw/zinc/08/29/32/323082932.db2.gz DNPFOUKFRIGLDT-WCBMZHEXSA-N 1 2 240.270 1.663 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563202985 323101648 /nfs/dbraw/zinc/10/16/48/323101648.db2.gz KCAPFEOBFRAKHR-QWRGUYRKSA-N 1 2 246.314 1.254 20 30 BDEDLO C[C@@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000563220786 323104470 /nfs/dbraw/zinc/10/44/70/323104470.db2.gz VEDNRGTVCGLSKV-NTZNESFSSA-N 1 2 237.347 1.383 20 30 BDEDLO CCC[C@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563539803 323130102 /nfs/dbraw/zinc/13/01/02/323130102.db2.gz XFUODAZLOPYIMD-GHMZBOCLSA-N 1 2 234.303 1.643 20 30 BDEDLO C#CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000048845382 323156093 /nfs/dbraw/zinc/15/60/93/323156093.db2.gz RXDKHJJCPSPLMY-UHFFFAOYSA-N 1 2 242.282 1.075 20 30 BDEDLO C=CCC[C@@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000320822890 323183844 /nfs/dbraw/zinc/18/38/44/323183844.db2.gz YPRDQAXWTVGDCU-NSHDSACASA-N 1 2 209.293 1.135 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335111023 323184511 /nfs/dbraw/zinc/18/45/11/323184511.db2.gz GLEBBJHJXMXPNS-SNVBAGLBSA-N 1 2 247.342 1.986 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335111023 323184512 /nfs/dbraw/zinc/18/45/12/323184512.db2.gz GLEBBJHJXMXPNS-SNVBAGLBSA-N 1 2 247.342 1.986 20 30 BDEDLO C#CC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490648 323194586 /nfs/dbraw/zinc/19/45/86/323194586.db2.gz HOAXCWXEFZFIOG-UHFFFAOYSA-N 1 2 238.228 1.138 20 30 BDEDLO CCN(CCC#N)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536621010 323198892 /nfs/dbraw/zinc/19/88/92/323198892.db2.gz PEPAQEYEUGLWEA-UHFFFAOYSA-N 1 2 246.314 1.888 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(C#N)cc1F ZINC000309330173 323342145 /nfs/dbraw/zinc/34/21/45/323342145.db2.gz HOSFVSJLAKPPSP-SECBINFHSA-N 1 2 217.247 1.947 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc2c1OCCO2 ZINC000076185855 487958929 /nfs/dbraw/zinc/95/89/29/487958929.db2.gz RIDSMLWAHVHROM-UHFFFAOYSA-N 1 2 241.290 1.526 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccncc1Cl ZINC000529540086 324317546 /nfs/dbraw/zinc/31/75/46/324317546.db2.gz FBCQVRRFHUWRRB-QMMMGPOBSA-N 1 2 209.680 1.984 20 30 BDEDLO C[C@H](Cc1ccsc1)[NH+]1CC(O)(CC#N)C1 ZINC000530389012 324591324 /nfs/dbraw/zinc/59/13/24/324591324.db2.gz JHSXGOWWDFNEKD-SNVBAGLBSA-N 1 2 236.340 1.639 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(F)c1 ZINC000076185423 325335311 /nfs/dbraw/zinc/33/53/11/325335311.db2.gz LFSBOMRADKBBPL-UHFFFAOYSA-N 1 2 201.244 1.894 20 30 BDEDLO N#CCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000547788849 325398612 /nfs/dbraw/zinc/39/86/12/325398612.db2.gz ALEAOUCYQSZBJQ-UHFFFAOYSA-N 1 2 249.339 1.306 20 30 BDEDLO C=CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000554572079 325728070 /nfs/dbraw/zinc/72/80/70/325728070.db2.gz FTWNWNYFTGBBCX-SECBINFHSA-N 1 2 207.277 1.043 20 30 BDEDLO COCCn1cc2c(n1)[C@@H]([NH2+]CCC#N)CCC2 ZINC000566131576 326001249 /nfs/dbraw/zinc/00/12/49/326001249.db2.gz NVIRZGZYTYPAQN-LBPRGKRZSA-N 1 2 248.330 1.410 20 30 BDEDLO CCCN(CC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000566435145 326047147 /nfs/dbraw/zinc/04/71/47/326047147.db2.gz FJTYGXNVFOGLIH-SNVBAGLBSA-N 1 2 234.303 1.350 20 30 BDEDLO CCCN(CC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000566435145 326047150 /nfs/dbraw/zinc/04/71/50/326047150.db2.gz FJTYGXNVFOGLIH-SNVBAGLBSA-N 1 2 234.303 1.350 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)[C@]1(C#N)C[C@H]1C ZINC000566468384 326052341 /nfs/dbraw/zinc/05/23/41/326052341.db2.gz LLGFEIGUOXFPRJ-SKDRFNHKSA-N 1 2 232.287 1.069 20 30 BDEDLO N#CCC[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000566989170 326100668 /nfs/dbraw/zinc/10/06/68/326100668.db2.gz LRXPNCKYZJPWIX-UHFFFAOYSA-N 1 2 243.310 1.075 20 30 BDEDLO C=C(C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000154297921 326138650 /nfs/dbraw/zinc/13/86/50/326138650.db2.gz HTEQZJCXGWCVDY-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO CCCOc1ccc(C[NH2+]CCC#N)cn1 ZINC000567692085 326246122 /nfs/dbraw/zinc/24/61/22/326246122.db2.gz ODUCBPMSZXGJLY-UHFFFAOYSA-N 1 2 219.288 1.874 20 30 BDEDLO Cc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000572846439 326414416 /nfs/dbraw/zinc/41/44/16/326414416.db2.gz ZTMXPENMLHNNOU-ZDUSSCGKSA-N 1 2 249.314 1.091 20 30 BDEDLO COCC#CC[N@@H+](CCOC)Cc1cccnc1 ZINC000683221607 488132844 /nfs/dbraw/zinc/13/28/44/488132844.db2.gz BRRPAZBPONROGB-UHFFFAOYSA-N 1 2 248.326 1.180 20 30 BDEDLO COCC#CC[N@H+](CCOC)Cc1cccnc1 ZINC000683221607 488132848 /nfs/dbraw/zinc/13/28/48/488132848.db2.gz BRRPAZBPONROGB-UHFFFAOYSA-N 1 2 248.326 1.180 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000339757920 487489379 /nfs/dbraw/zinc/48/93/79/487489379.db2.gz XXPGMSUXTJMBBR-LBPRGKRZSA-N 1 2 248.370 1.731 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000339757920 487489384 /nfs/dbraw/zinc/48/93/84/487489384.db2.gz XXPGMSUXTJMBBR-LBPRGKRZSA-N 1 2 248.370 1.731 20 30 BDEDLO CCc1cnc(C[N@H+](C)CC#CCOC)s1 ZINC000677820503 487519845 /nfs/dbraw/zinc/51/98/45/487519845.db2.gz PKFFGILUSIJOCN-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO CCc1cnc(C[N@@H+](C)CC#CCOC)s1 ZINC000677820503 487519849 /nfs/dbraw/zinc/51/98/49/487519849.db2.gz PKFFGILUSIJOCN-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO C=CCN(CC=C)C(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000678218570 488219051 /nfs/dbraw/zinc/21/90/51/488219051.db2.gz VMXDHLQSGIXZNI-UHFFFAOYSA-N 1 2 248.330 1.042 20 30 BDEDLO C=CCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145420 488240778 /nfs/dbraw/zinc/24/07/78/488240778.db2.gz HOHWTMPOHJXLSC-SNVBAGLBSA-N 1 2 219.288 1.280 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184159193 491077945 /nfs/dbraw/zinc/07/79/45/491077945.db2.gz HUFHRKDENRVCLR-SECBINFHSA-N 1 2 239.344 1.404 20 30 BDEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)nc1 ZINC000595620718 491079486 /nfs/dbraw/zinc/07/94/86/491079486.db2.gz PERYTROASMEVPB-LBPRGKRZSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)nc1 ZINC000595620718 491079488 /nfs/dbraw/zinc/07/94/88/491079488.db2.gz PERYTROASMEVPB-LBPRGKRZSA-N 1 2 230.315 1.911 20 30 BDEDLO C[C@@H](CC#N)N(C)Cc1[nH+]ccn1C1CC1 ZINC000891933767 582740056 /nfs/dbraw/zinc/74/00/56/582740056.db2.gz NENUZFPLIDFYRS-JTQLQIEISA-N 1 2 218.304 1.952 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(F)cc1C ZINC000892069166 582784687 /nfs/dbraw/zinc/78/46/87/582784687.db2.gz YJTXGYLWHSUOBB-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(F)cc1C ZINC000892069166 582784690 /nfs/dbraw/zinc/78/46/90/582784690.db2.gz YJTXGYLWHSUOBB-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185208996 534439710 /nfs/dbraw/zinc/43/97/10/534439710.db2.gz DWFSFMNAFYQPGX-SNVBAGLBSA-N 1 2 217.696 1.230 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185208996 534439716 /nfs/dbraw/zinc/43/97/16/534439716.db2.gz DWFSFMNAFYQPGX-SNVBAGLBSA-N 1 2 217.696 1.230 20 30 BDEDLO C=C(Cl)C[N@H+]1CCn2cc(C)nc2C1 ZINC000374646843 534443455 /nfs/dbraw/zinc/44/34/55/534443455.db2.gz MKHIICZGRAONON-UHFFFAOYSA-N 1 2 211.696 1.760 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000374646843 534443458 /nfs/dbraw/zinc/44/34/58/534443458.db2.gz MKHIICZGRAONON-UHFFFAOYSA-N 1 2 211.696 1.760 20 30 BDEDLO C=C1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000341994211 534466163 /nfs/dbraw/zinc/46/61/63/534466163.db2.gz FMHBVXBTNWLYMG-UHFFFAOYSA-N 1 2 248.370 1.943 20 30 BDEDLO C=C[C@@H]1CCCCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000362840164 534560554 /nfs/dbraw/zinc/56/05/54/534560554.db2.gz RUSCAZJREUSMCI-LLVKDONJSA-N 1 2 247.346 1.791 20 30 BDEDLO C=C[C@@H]1CCCCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000362840164 534560564 /nfs/dbraw/zinc/56/05/64/534560564.db2.gz RUSCAZJREUSMCI-LLVKDONJSA-N 1 2 247.346 1.791 20 30 BDEDLO C=CCCC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000354580486 534636736 /nfs/dbraw/zinc/63/67/36/534636736.db2.gz CVAYYDGSGBHMBJ-UHFFFAOYSA-N 1 2 233.315 1.746 20 30 BDEDLO C=C[C@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000362603342 534637167 /nfs/dbraw/zinc/63/71/67/534637167.db2.gz YHBKNMAATJLKSF-JTQLQIEISA-N 1 2 229.283 1.568 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119470937 534655671 /nfs/dbraw/zinc/65/56/71/534655671.db2.gz IUFSXZOPMXRWOS-VHSXEESVSA-N 1 2 219.288 1.136 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000365806423 534823780 /nfs/dbraw/zinc/82/37/80/534823780.db2.gz QVFNHRZPPANUNI-GFCCVEGCSA-N 1 2 245.326 1.961 20 30 BDEDLO C=CCOCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000361770581 534871435 /nfs/dbraw/zinc/87/14/35/534871435.db2.gz GCZPMECMIJOALU-UHFFFAOYSA-N 1 2 237.303 1.351 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000491623211 526655375 /nfs/dbraw/zinc/65/53/75/526655375.db2.gz IANCZGYCCNSSMA-UHFFFAOYSA-N 1 2 232.331 1.536 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000491623211 526655380 /nfs/dbraw/zinc/65/53/80/526655380.db2.gz IANCZGYCCNSSMA-UHFFFAOYSA-N 1 2 232.331 1.536 20 30 BDEDLO C#CC(C)(C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491650696 526661186 /nfs/dbraw/zinc/66/11/86/526661186.db2.gz BEPKEWOHOWYMIT-UHFFFAOYSA-N 1 2 241.294 1.784 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)nn(C)c1C ZINC000174525265 526845645 /nfs/dbraw/zinc/84/56/45/526845645.db2.gz AGZRUKVJZZQZIJ-UHFFFAOYSA-N 1 2 215.300 1.105 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccccc1F ZINC000174526670 526847342 /nfs/dbraw/zinc/84/73/42/526847342.db2.gz LFFNCWIINCQJLM-UHFFFAOYSA-N 1 2 201.244 1.894 20 30 BDEDLO C=C(CC)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493314797 526854339 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/nfs/dbraw/zinc/33/40/58/527334058.db2.gz SCRKEELWASJAEQ-QMMMGPOBSA-N 1 2 242.120 1.557 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1ccc(Br)n1 ZINC000306505017 527334066 /nfs/dbraw/zinc/33/40/66/527334066.db2.gz SCRKEELWASJAEQ-QMMMGPOBSA-N 1 2 242.120 1.557 20 30 BDEDLO C#C[C@H]([NH2+][C@H](CCCC)C(=O)OC)C(C)C ZINC000300936506 527414351 /nfs/dbraw/zinc/41/43/51/527414351.db2.gz OHFFWTBFIMENLL-NWDGAFQWSA-N 1 2 225.332 1.966 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000491734046 527429001 /nfs/dbraw/zinc/42/90/01/527429001.db2.gz BCOGTPQJUHSCLL-UONOGXRCSA-N 1 2 249.354 1.812 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000491734046 527429006 /nfs/dbraw/zinc/42/90/06/527429006.db2.gz BCOGTPQJUHSCLL-UONOGXRCSA-N 1 2 249.354 1.812 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493252911 527465571 /nfs/dbraw/zinc/46/55/71/527465571.db2.gz AVGPTUSRWYTZKC-AIIUZBJTSA-N 1 2 247.298 1.273 20 30 BDEDLO C=C[C@H](C)ONC(=O)/C=C\c1[nH+]ccn1CC ZINC000493151043 527572434 /nfs/dbraw/zinc/57/24/34/527572434.db2.gz LXYAVYGVNARETA-GFVADAIESA-N 1 2 235.287 1.539 20 30 BDEDLO C/C=C/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493323087 527584544 /nfs/dbraw/zinc/58/45/44/527584544.db2.gz OCZWHWZPAGROSN-GZURTZSOSA-N 1 2 221.304 1.079 20 30 BDEDLO C=CCN(CCC#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493785620 527652113 /nfs/dbraw/zinc/65/21/13/527652113.db2.gz JVZZGQURBDGUAC-SNAWJCMRSA-N 1 2 230.271 1.351 20 30 BDEDLO CC(C)N(CCC#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493108407 528876600 /nfs/dbraw/zinc/87/66/00/528876600.db2.gz SEBMHYDMKFRNNS-SNAWJCMRSA-N 1 2 232.287 1.574 20 30 BDEDLO CC[C@H](CC#N)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492606544 529296118 /nfs/dbraw/zinc/29/61/18/529296118.db2.gz WKSUPVNXWWHTGK-MVIFTORASA-N 1 2 246.314 1.725 20 30 BDEDLO CC(C)n1cnnc1C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000339211626 535109445 /nfs/dbraw/zinc/10/94/45/535109445.db2.gz DYEHDZYYUAPQGC-NEPJUHHUSA-N 1 2 247.346 1.983 20 30 BDEDLO CC(C)n1cnnc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000339211626 535109454 /nfs/dbraw/zinc/10/94/54/535109454.db2.gz DYEHDZYYUAPQGC-NEPJUHHUSA-N 1 2 247.346 1.983 20 30 BDEDLO CCC[C@H]([NH2+]CCCC#N)C(=O)OCC ZINC000309234227 535703166 /nfs/dbraw/zinc/70/31/66/535703166.db2.gz XHXMVKWSWNICSI-JTQLQIEISA-N 1 2 212.293 1.612 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N1CCn2c[nH+]cc2C1 ZINC000291006429 535970276 /nfs/dbraw/zinc/97/02/76/535970276.db2.gz ZNLWDLGLEOQMON-LBPRGKRZSA-N 1 2 232.287 1.165 20 30 BDEDLO Cc1[nH]c(CN=Nc2nc(C)cc(C)n2)[nH+]c1C ZINC000853254359 588729512 /nfs/dbraw/zinc/72/95/12/588729512.db2.gz SMOSDAZPLFESBI-UHFFFAOYSA-N 1 2 244.302 1.879 20 30 BDEDLO Cc1ccc(N=NCc2c[nH+]c3n2CCC3)nn1 ZINC000853304733 588731571 /nfs/dbraw/zinc/73/15/71/588731571.db2.gz YSMQOXZSVBTHIW-UHFFFAOYSA-N 1 2 242.286 1.374 20 30 BDEDLO Cc1[nH]c(CN=Nc2ccc(C)nn2)[nH+]c1C ZINC000853304519 588731743 /nfs/dbraw/zinc/73/17/43/588731743.db2.gz QDNFZDPVZXDFQT-UHFFFAOYSA-N 1 2 230.275 1.571 20 30 BDEDLO CCC(CC)NN=Cc1c[nH+]c(C)n1C ZINC000853308338 588731806 /nfs/dbraw/zinc/73/18/06/588731806.db2.gz FKJQNWHYZDXFOX-UHFFFAOYSA-N 1 2 208.309 1.841 20 30 BDEDLO CCOCCON=Cc1c[nH+]c2n1CCC2 ZINC000853334486 588734258 /nfs/dbraw/zinc/73/42/58/588734258.db2.gz HEQHXWGVCRVSNJ-UHFFFAOYSA-N 1 2 223.276 1.216 20 30 BDEDLO C(=NOC1CCOCC1)c1c[nH+]c2n1CCC2 ZINC000853334629 588734341 /nfs/dbraw/zinc/73/43/41/588734341.db2.gz MVFMXZWIXBMACV-UHFFFAOYSA-N 1 2 235.287 1.359 20 30 BDEDLO Fc1cncnc1N=NCc1c[nH+]c2n1CCC2 ZINC000853348331 588736461 /nfs/dbraw/zinc/73/64/61/588736461.db2.gz APAAIMJJLNRTLE-UHFFFAOYSA-N 1 2 246.249 1.204 20 30 BDEDLO COc1ncnc(N)c1C=[NH+]N1CCCC[C@@H]1C ZINC000853379750 588739411 /nfs/dbraw/zinc/73/94/11/588739411.db2.gz MGYOWQRWQUPGJB-VIFPVBQESA-N 1 2 249.318 1.276 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000853524129 588747559 /nfs/dbraw/zinc/74/75/59/588747559.db2.gz KVTADZWLPFXRFS-JTQLQIEISA-N 1 2 236.344 1.755 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000853524129 588747560 /nfs/dbraw/zinc/74/75/60/588747560.db2.gz KVTADZWLPFXRFS-JTQLQIEISA-N 1 2 236.344 1.755 20 30 BDEDLO N#Cc1cc(N[C@H]2CCn3cc[nH+]c32)ncn1 ZINC000853651115 588752381 /nfs/dbraw/zinc/75/23/81/588752381.db2.gz QHCCFIZCFNUQHV-VIFPVBQESA-N 1 2 226.243 1.102 20 30 BDEDLO C#CCOCCO[NH+]=C(N)c1cccc(F)c1 ZINC000853662685 588753780 /nfs/dbraw/zinc/75/37/80/588753780.db2.gz KSURSNMLGMSMFC-UHFFFAOYSA-N 1 2 236.246 1.322 20 30 BDEDLO CC(C)C#CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854685421 588801278 /nfs/dbraw/zinc/80/12/78/588801278.db2.gz KSOQABFXLNRQFJ-JTQLQIEISA-N 1 2 217.272 1.104 20 30 BDEDLO C#CCC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855136336 588823135 /nfs/dbraw/zinc/82/31/35/588823135.db2.gz OUWSRXSFFQEVBG-UHFFFAOYSA-N 1 2 219.288 1.418 20 30 BDEDLO C#CCC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855136336 588823136 /nfs/dbraw/zinc/82/31/36/588823136.db2.gz OUWSRXSFFQEVBG-UHFFFAOYSA-N 1 2 219.288 1.418 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000890554394 582474321 /nfs/dbraw/zinc/47/43/21/582474321.db2.gz OJSLFCDVNQGKEW-VIFPVBQESA-N 1 2 205.261 1.129 20 30 BDEDLO C=CCCCN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000890812632 582573543 /nfs/dbraw/zinc/57/35/43/582573543.db2.gz MHQFQONPIUOHAE-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H]1C[C@@]1(C)Br ZINC000892058880 582779062 /nfs/dbraw/zinc/77/90/62/582779062.db2.gz LSZCNULVAHHBMX-WDEREUQCSA-N 1 2 240.144 1.728 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(F)c(C)c1 ZINC000892058762 582779316 /nfs/dbraw/zinc/77/93/16/582779316.db2.gz GKOJOFFPYZGWMK-UHFFFAOYSA-N 1 2 216.259 1.598 20 30 BDEDLO C#C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1CCCO1 ZINC000775792356 583104359 /nfs/dbraw/zinc/10/43/59/583104359.db2.gz FSWLHFLDCVLQNA-RWMBFGLXSA-N 1 2 231.299 1.200 20 30 BDEDLO C#C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1CCCO1 ZINC000775792354 583104635 /nfs/dbraw/zinc/10/46/35/583104635.db2.gz FSWLHFLDCVLQNA-AVGNSLFASA-N 1 2 231.299 1.200 20 30 BDEDLO C#CCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888335 583208751 /nfs/dbraw/zinc/20/87/51/583208751.db2.gz YPKHTPCZBUCLOF-NSHDSACASA-N 1 2 231.299 1.118 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894066397 583293793 /nfs/dbraw/zinc/29/37/93/583293793.db2.gz ALTQSKAPSDFNQK-WCQGTBRESA-N 1 2 234.299 1.890 20 30 BDEDLO CCc1onc(C)c1C[NH2+]CC1(C#N)CC1 ZINC000894205264 583341385 /nfs/dbraw/zinc/34/13/85/583341385.db2.gz WUEFOBNJXNLRRI-UHFFFAOYSA-N 1 2 219.288 1.939 20 30 BDEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000857280680 588902300 /nfs/dbraw/zinc/90/23/00/588902300.db2.gz NJAXCZHCEKCVRW-MNOVXSKESA-N 1 2 249.314 1.119 20 30 BDEDLO C#CC1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000894357167 583435945 /nfs/dbraw/zinc/43/59/45/583435945.db2.gz YHWYAFSOARZPFD-UHFFFAOYSA-N 1 2 243.314 1.181 20 30 BDEDLO C#CC1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000894357167 583435947 /nfs/dbraw/zinc/43/59/47/583435947.db2.gz YHWYAFSOARZPFD-UHFFFAOYSA-N 1 2 243.314 1.181 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894384789 583443438 /nfs/dbraw/zinc/44/34/38/583443438.db2.gz VWXFEBHCWUZXOB-ZETCQYMHSA-N 1 2 207.302 1.527 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894573777 583486711 /nfs/dbraw/zinc/48/67/11/583486711.db2.gz HJGBAJQLWMAEOM-SNVBAGLBSA-N 1 2 205.305 1.987 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894573777 583486712 /nfs/dbraw/zinc/48/67/12/583486712.db2.gz HJGBAJQLWMAEOM-SNVBAGLBSA-N 1 2 205.305 1.987 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OC)cc1C ZINC000894865178 583536962 /nfs/dbraw/zinc/53/69/62/583536962.db2.gz GGYFCIFALKMRSS-CQSZACIVSA-N 1 2 245.322 1.838 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OC)cc1C ZINC000894865178 583536965 /nfs/dbraw/zinc/53/69/65/583536965.db2.gz GGYFCIFALKMRSS-CQSZACIVSA-N 1 2 245.322 1.838 20 30 BDEDLO C=CC(C)(C)NC(=O)NCc1c[nH+]ccc1OC ZINC000895037892 583570478 /nfs/dbraw/zinc/57/04/78/583570478.db2.gz PXCYUGCQPZBHOD-UHFFFAOYSA-N 1 2 249.314 1.854 20 30 BDEDLO C=C(C)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000895147605 583604968 /nfs/dbraw/zinc/60/49/68/583604968.db2.gz UDVNNDXWPZERQW-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000895171806 583612807 /nfs/dbraw/zinc/61/28/07/583612807.db2.gz HWWOOXNWYIPJMS-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000895171806 583612808 /nfs/dbraw/zinc/61/28/08/583612808.db2.gz HWWOOXNWYIPJMS-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO C[C@@H](CO)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749816528 583613512 /nfs/dbraw/zinc/61/35/12/583613512.db2.gz QORVAPFRQDYFSP-NSHDSACASA-N 1 2 244.298 1.177 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1n[nH]c(=O)n1C ZINC000895178724 583616838 /nfs/dbraw/zinc/61/68/38/583616838.db2.gz XRPMASUYHSDCEY-IVZWLZJFSA-N 1 2 249.318 1.254 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1cccc(F)n1 ZINC000795009175 583650187 /nfs/dbraw/zinc/65/01/87/583650187.db2.gz XMMVXABVEYGTEZ-UHFFFAOYSA-N 1 2 219.223 1.698 20 30 BDEDLO CCc1onc(C)c1C[NH+]1CC(CC#N)C1 ZINC000895344593 583655155 /nfs/dbraw/zinc/65/51/55/583655155.db2.gz RTOWGNPDHWXYGA-UHFFFAOYSA-N 1 2 219.288 1.891 20 30 BDEDLO C#CC[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895391571 583664121 /nfs/dbraw/zinc/66/41/21/583664121.db2.gz ZMESGKWHLIHAIA-LBPRGKRZSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895391571 583664122 /nfs/dbraw/zinc/66/41/22/583664122.db2.gz ZMESGKWHLIHAIA-LBPRGKRZSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000895537686 583687283 /nfs/dbraw/zinc/68/72/83/583687283.db2.gz DFXBEZZHARXRCI-UHFFFAOYSA-N 1 2 245.326 1.178 20 30 BDEDLO Cc1cc(N)nc(N2CCC[C@H](C#N)C2)[nH+]1 ZINC000895648626 583699380 /nfs/dbraw/zinc/69/93/80/583699380.db2.gz QGHWHMRNEDZBNV-SECBINFHSA-N 1 2 217.276 1.107 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651926 583703075 /nfs/dbraw/zinc/70/30/75/583703075.db2.gz DLDQKTQLFXGSTQ-JQWIXIFHSA-N 1 2 249.701 1.173 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651926 583703076 /nfs/dbraw/zinc/70/30/76/583703076.db2.gz DLDQKTQLFXGSTQ-JQWIXIFHSA-N 1 2 249.701 1.173 20 30 BDEDLO C#CCCCCCC[NH2+][C@H]1CCOC1=O ZINC000895808574 583729716 /nfs/dbraw/zinc/72/97/16/583729716.db2.gz KQGPYPJVDICLNN-NSHDSACASA-N 1 2 209.289 1.475 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2cocn2)CC1 ZINC000895833915 583735207 /nfs/dbraw/zinc/73/52/07/583735207.db2.gz FRFHGUKJTNUUII-UHFFFAOYSA-N 1 2 222.288 1.578 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976603 588926037 /nfs/dbraw/zinc/92/60/37/588926037.db2.gz HRSTULRNLPLTHR-JTQLQIEISA-N 1 2 246.314 1.774 20 30 BDEDLO CC(C)C#CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977344 588926683 /nfs/dbraw/zinc/92/66/83/588926683.db2.gz CMXNTYXWRRUKQI-JTQLQIEISA-N 1 2 217.272 1.104 20 30 BDEDLO C=CCn1nnn(C[N@@H+](CC)CCC)c1=S ZINC000727821192 583777813 /nfs/dbraw/zinc/77/78/13/583777813.db2.gz VHTVGFGLJMZJCJ-UHFFFAOYSA-N 1 2 241.364 1.684 20 30 BDEDLO C=CCn1nnn(C[N@H+](CC)CCC)c1=S ZINC000727821192 583777814 /nfs/dbraw/zinc/77/78/14/583777814.db2.gz VHTVGFGLJMZJCJ-UHFFFAOYSA-N 1 2 241.364 1.684 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)CCC)CC1 ZINC000727863137 583787508 /nfs/dbraw/zinc/78/75/08/583787508.db2.gz SHQCWIOBHAKDPF-SEYXRHQNSA-N 1 2 234.343 1.510 20 30 BDEDLO Cc1[nH]c(CNC(=O)c2c[nH]c(C#N)c2)[nH+]c1C ZINC000896913699 583853906 /nfs/dbraw/zinc/85/39/06/583853906.db2.gz VVTYRDLPLWREAH-UHFFFAOYSA-N 1 2 243.270 1.156 20 30 BDEDLO C#C[C@H]1CCCCN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000897360416 583938432 /nfs/dbraw/zinc/93/84/32/583938432.db2.gz GGKRZEFICGWPPG-JTQLQIEISA-N 1 2 243.314 1.323 20 30 BDEDLO C#C[C@H](CCC)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897553593 584017458 /nfs/dbraw/zinc/01/74/58/584017458.db2.gz SOHPANHWWVSHRX-GFCCVEGCSA-N 1 2 247.342 1.845 20 30 BDEDLO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866336731 584118018 /nfs/dbraw/zinc/11/80/18/584118018.db2.gz GYFAGNCVRGYZNA-PWSUYJOCSA-N 1 2 246.310 1.851 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898616424 584145289 /nfs/dbraw/zinc/14/52/89/584145289.db2.gz ZMXOWNRMXRIHAO-NSHDSACASA-N 1 2 248.330 1.528 20 30 BDEDLO C#CCc1c(C)[nH]n(C2CC[NH+](CC)CC2)c1=O ZINC000899349745 584202989 /nfs/dbraw/zinc/20/29/89/584202989.db2.gz LOEVWTBQRQUQBS-CYBMUJFWSA-N 1 2 247.342 1.328 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2cc(C)nn2C)c1 ZINC000899370289 584208284 /nfs/dbraw/zinc/20/82/84/584208284.db2.gz DILVGJIGQRXXBN-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO CCn1c[nH+]c(/C=C2\CCn3nccc3C2=O)c1 ZINC000899386514 584208786 /nfs/dbraw/zinc/20/87/86/584208786.db2.gz NXXMSJFHRGKCHE-JXMROGBWSA-N 1 2 242.282 1.770 20 30 BDEDLO CCn1c[nH+]c(/C=C2/CCn3nccc3C2=O)c1 ZINC000899386516 584208860 /nfs/dbraw/zinc/20/88/60/584208860.db2.gz NXXMSJFHRGKCHE-YFHOEESVSA-N 1 2 242.282 1.770 20 30 BDEDLO CCn1c[nH+]c(/C=C2\Cn3ccnc3C2=O)c1 ZINC000899381160 584210037 /nfs/dbraw/zinc/21/00/37/584210037.db2.gz VEXBUTSPJTZQQS-WEVVVXLNSA-N 1 2 228.255 1.379 20 30 BDEDLO CCn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000899883096 584246552 /nfs/dbraw/zinc/24/65/52/584246552.db2.gz WSMLFDLLCZZARZ-LLVKDONJSA-N 1 2 233.319 1.424 20 30 BDEDLO CCn1cc(C[N@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000899883096 584246553 /nfs/dbraw/zinc/24/65/53/584246553.db2.gz WSMLFDLLCZZARZ-LLVKDONJSA-N 1 2 233.319 1.424 20 30 BDEDLO C[C@@]1(C#N)CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858633715 588972373 /nfs/dbraw/zinc/97/23/73/588972373.db2.gz BAHMXKIQGDAAFY-LBPRGKRZSA-N 1 2 217.272 1.314 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)NC[C@@H](C)C#N ZINC000900649326 584335783 /nfs/dbraw/zinc/33/57/83/584335783.db2.gz MYBJIDIXHHYSKI-QMMMGPOBSA-N 1 2 232.287 1.321 20 30 BDEDLO C#CC(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000900703133 584343209 /nfs/dbraw/zinc/34/32/09/584343209.db2.gz JDBJYLQNUPJQFG-UHFFFAOYSA-N 1 2 217.272 1.022 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1NCC1COC1 ZINC000858814287 588977167 /nfs/dbraw/zinc/97/71/67/588977167.db2.gz QKFPTHRLAQJSAI-UHFFFAOYSA-N 1 2 246.310 1.932 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc(C)[nH+]cn1 ZINC000858857507 588978153 /nfs/dbraw/zinc/97/81/53/588978153.db2.gz OTSMUNBWKKWHQI-LLVKDONJSA-N 1 2 219.288 1.625 20 30 BDEDLO Cc1[nH]c(CNC(=O)C#CC(C)(C)C)[nH+]c1C ZINC000901001642 584373833 /nfs/dbraw/zinc/37/38/33/584373833.db2.gz ZZDFXOXWNCFZIN-UHFFFAOYSA-N 1 2 233.315 1.692 20 30 BDEDLO C=C[C@H](C)NC(=O)c1ccc(C)[nH+]c1NC ZINC000901021105 584377573 /nfs/dbraw/zinc/37/75/73/584377573.db2.gz YHLBIYQBZXMGSI-QMMMGPOBSA-N 1 2 219.288 1.736 20 30 BDEDLO C#CC[C@@H](COC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000858860842 588979829 /nfs/dbraw/zinc/97/98/29/588979829.db2.gz UXDRKYBIHDLRPV-JTQLQIEISA-N 1 2 244.298 1.717 20 30 BDEDLO C[C@H](C#N)CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000901196521 584397935 /nfs/dbraw/zinc/39/79/35/584397935.db2.gz ASGVQSUOFBZKFO-SECBINFHSA-N 1 2 232.287 1.103 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cnn(C2CCC2)c1 ZINC000901235114 584404878 /nfs/dbraw/zinc/40/48/78/584404878.db2.gz DAJIBWZZTITFLM-UHFFFAOYSA-N 1 2 244.302 1.788 20 30 BDEDLO CC(=[NH+]N[C@@H]1CCCSC1)c1c[nH]c(N)n1 ZINC000901277552 584413230 /nfs/dbraw/zinc/41/32/30/584413230.db2.gz DDBOLBDXPYOZHD-MRVPVSSYSA-N 1 2 239.348 1.201 20 30 BDEDLO CCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000901277662 584413395 /nfs/dbraw/zinc/41/33/95/584413395.db2.gz FGZOUXVLYYZUGO-UHFFFAOYSA-N 1 2 218.304 1.647 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CCCOCC1 ZINC000901328390 584423949 /nfs/dbraw/zinc/42/39/49/584423949.db2.gz ATXULLGYBSYWMH-LLVKDONJSA-N 1 2 248.330 1.808 20 30 BDEDLO C#CCCOC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000858903838 588984183 /nfs/dbraw/zinc/98/41/83/588984183.db2.gz ZVEGUFGFGAAZHP-JTQLQIEISA-N 1 2 221.260 1.021 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C1/Cn2ccnc2C1=O ZINC000901512070 584461332 /nfs/dbraw/zinc/46/13/32/584461332.db2.gz AKZASYQYSJWMKS-YHYXMXQVSA-N 1 2 242.282 1.940 20 30 BDEDLO CC(C)c1c[nH]c(C=CC(=O)c2cnnn2C)[nH+]1 ZINC000901514049 584461677 /nfs/dbraw/zinc/46/16/77/584461677.db2.gz YGLZPLBZIWLJQN-SNAWJCMRSA-N 1 2 245.286 1.558 20 30 BDEDLO C=C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C(=O)OC ZINC000901662295 584477077 /nfs/dbraw/zinc/47/70/77/584477077.db2.gz JGINDLDCUCOBOO-YLXHPXFOSA-N 1 2 239.315 1.261 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)C(=O)OC ZINC000901669153 584477760 /nfs/dbraw/zinc/47/77/60/584477760.db2.gz INEMAGVYJDBANH-ZRUFSTJUSA-N 1 2 209.289 1.492 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902244402 584546562 /nfs/dbraw/zinc/54/65/62/584546562.db2.gz TVXSUQGHPXWQLJ-NSHDSACASA-N 1 2 228.295 1.553 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902244402 584546563 /nfs/dbraw/zinc/54/65/63/584546563.db2.gz TVXSUQGHPXWQLJ-NSHDSACASA-N 1 2 228.295 1.553 20 30 BDEDLO Nc1ccc(CON=C2CCCOCC2)c[nH+]1 ZINC000902325202 584560482 /nfs/dbraw/zinc/56/04/82/584560482.db2.gz QTKZUQWDIAMVPU-UHFFFAOYSA-N 1 2 235.287 1.737 20 30 BDEDLO N#Cc1cncc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000902383991 584577522 /nfs/dbraw/zinc/57/75/22/584577522.db2.gz XCIHTHOZDGJDHI-NSHDSACASA-N 1 2 246.270 1.131 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](F)C1 ZINC000902990463 584709473 /nfs/dbraw/zinc/70/94/73/584709473.db2.gz CNKCBWUTSLBKOX-UWVGGRQHSA-N 1 2 215.268 1.538 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](F)C1 ZINC000902990463 584709474 /nfs/dbraw/zinc/70/94/74/584709474.db2.gz CNKCBWUTSLBKOX-UWVGGRQHSA-N 1 2 215.268 1.538 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cn(C)nn1 ZINC000903052340 584724032 /nfs/dbraw/zinc/72/40/32/584724032.db2.gz GGGGRZKCIAQEQE-LLVKDONJSA-N 1 2 247.346 1.940 20 30 BDEDLO Cc1nonc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903089104 584725273 /nfs/dbraw/zinc/72/52/73/584725273.db2.gz VLLIKPCDMZVGPL-QMMMGPOBSA-N 1 2 243.270 1.496 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC000733163801 584943800 /nfs/dbraw/zinc/94/38/00/584943800.db2.gz SHZREFUKOQLCLX-UHFFFAOYSA-N 1 2 245.326 1.023 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CN1C[C@@H](C)CC1=O ZINC000733293908 584945850 /nfs/dbraw/zinc/94/58/50/584945850.db2.gz OTASOVLVHUTYNI-LBPRGKRZSA-N 1 2 237.347 1.684 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CN1C[C@@H](C)CC1=O ZINC000733293908 584945851 /nfs/dbraw/zinc/94/58/51/584945851.db2.gz OTASOVLVHUTYNI-LBPRGKRZSA-N 1 2 237.347 1.684 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1cccc(F)n1 ZINC000814927868 584951587 /nfs/dbraw/zinc/95/15/87/584951587.db2.gz KXUFDCXOXZNNCC-UHFFFAOYSA-N 1 2 248.265 1.291 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CCCC12CCC2)C(=O)OC ZINC000839167528 585095508 /nfs/dbraw/zinc/09/55/08/585095508.db2.gz FSKYVLZUDNHFIK-VXGBXAGGSA-N 1 2 235.327 1.864 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)Cc1ccoc1)C(=O)OC ZINC000839167956 585095731 /nfs/dbraw/zinc/09/57/31/585095731.db2.gz IQOHQVJHBRXLES-JQWIXIFHSA-N 1 2 235.283 1.365 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C(=O)OC ZINC000839170351 585095975 /nfs/dbraw/zinc/09/59/75/585095975.db2.gz YXCZGSASQGLGAL-VXGBXAGGSA-N 1 2 225.332 1.823 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](COC)CC(C)C)C(=O)OC ZINC000839170271 585095926 /nfs/dbraw/zinc/09/59/26/585095926.db2.gz YFNNCQNCMCSFCX-NWDGAFQWSA-N 1 2 241.331 1.202 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)C(=O)OC ZINC000839170451 585096469 /nfs/dbraw/zinc/09/64/69/585096469.db2.gz ZTLYRRNCKIUDNX-SRVKXCTJSA-N 1 2 239.315 1.099 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCOC(C)(C)C ZINC000839198245 585099302 /nfs/dbraw/zinc/09/93/02/585099302.db2.gz ZYMYTJQGGJBVSG-LBPRGKRZSA-N 1 2 225.332 1.526 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCOC(C)(C)C ZINC000839198245 585099303 /nfs/dbraw/zinc/09/93/03/585099303.db2.gz ZYMYTJQGGJBVSG-LBPRGKRZSA-N 1 2 225.332 1.526 20 30 BDEDLO C#CCCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000743692489 585138659 /nfs/dbraw/zinc/13/86/59/585138659.db2.gz AZLQQONOFAGXEM-UHFFFAOYSA-N 1 2 248.330 1.376 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC000744425619 585150233 /nfs/dbraw/zinc/15/02/33/585150233.db2.gz XXEUGDBFSOVJAW-QXMHVHEDSA-N 1 2 232.327 1.120 20 30 BDEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)NCCC#N ZINC000746673644 585171977 /nfs/dbraw/zinc/17/19/77/585171977.db2.gz YDJXRJXSJQEKMX-LLVKDONJSA-N 1 2 243.310 1.593 20 30 BDEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)NCCC#N ZINC000746673644 585171978 /nfs/dbraw/zinc/17/19/78/585171978.db2.gz YDJXRJXSJQEKMX-LLVKDONJSA-N 1 2 243.310 1.593 20 30 BDEDLO C#C[C@@H](CC)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000752939579 585251528 /nfs/dbraw/zinc/25/15/28/585251528.db2.gz JCBYQPSZYCVJOF-JTQLQIEISA-N 1 2 227.271 1.486 20 30 BDEDLO C#CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000753953058 585273105 /nfs/dbraw/zinc/27/31/05/585273105.db2.gz UBRGQYZLHRSXAT-UHFFFAOYSA-N 1 2 249.339 1.701 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1nc(C)cc(C)n1 ZINC000755454647 585299757 /nfs/dbraw/zinc/29/97/57/585299757.db2.gz HSOFERAHVJZFKU-UHFFFAOYSA-N 1 2 230.275 1.571 20 30 BDEDLO CNC(=S)NN=Cc1c[nH+]c2ccc(C)cn12 ZINC000755470458 585300324 /nfs/dbraw/zinc/30/03/24/585300324.db2.gz AWFORIMRUJAPPT-UHFFFAOYSA-N 1 2 247.327 1.071 20 30 BDEDLO O=[N+]([O-])c1cccnc1N=NCc1c[nH+]c[nH]1 ZINC000755770290 585306732 /nfs/dbraw/zinc/30/67/32/585306732.db2.gz XVGJDAJCCRLLRB-UHFFFAOYSA-N 1 2 232.203 1.159 20 30 BDEDLO O=[N+]([O-])c1cccnc1N=NCc1c[nH]c[nH+]1 ZINC000755770290 585306733 /nfs/dbraw/zinc/30/67/33/585306733.db2.gz XVGJDAJCCRLLRB-UHFFFAOYSA-N 1 2 232.203 1.159 20 30 BDEDLO Cc1ccnc(N=NCc2c[nH+]cn2C)c1 ZINC000755771791 585306780 /nfs/dbraw/zinc/30/67/80/585306780.db2.gz ZGSVAKVIBXMVDG-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO COc1ccc(NN=Cc2c[nH+]cn2C)cc1 ZINC000755803150 585307532 /nfs/dbraw/zinc/30/75/32/585307532.db2.gz ZDEUDTRRFNCCMO-UHFFFAOYSA-N 1 2 230.271 1.875 20 30 BDEDLO FC(F)CON=Cc1cccc2[nH+]ccn21 ZINC000758904778 585362440 /nfs/dbraw/zinc/36/24/40/585362440.db2.gz WEIGQKTZMDFUQJ-UHFFFAOYSA-N 1 2 225.198 1.950 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000760844994 585399882 /nfs/dbraw/zinc/39/98/82/585399882.db2.gz WVEVLNYXMHFFTK-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCC[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000760844994 585399883 /nfs/dbraw/zinc/39/98/83/585399883.db2.gz WVEVLNYXMHFFTK-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO C=CCCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000761402456 585415039 /nfs/dbraw/zinc/41/50/39/585415039.db2.gz KHPJNXOAHSGRJK-LBPRGKRZSA-N 1 2 239.315 1.549 20 30 BDEDLO C=CCCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000761402456 585415040 /nfs/dbraw/zinc/41/50/40/585415040.db2.gz KHPJNXOAHSGRJK-LBPRGKRZSA-N 1 2 239.315 1.549 20 30 BDEDLO COCC#CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000762927483 585439551 /nfs/dbraw/zinc/43/95/51/585439551.db2.gz UEKSVCKDROVWQR-UHFFFAOYSA-N 1 2 233.286 1.834 20 30 BDEDLO COCC#CC[N@H+]1CCc2c(F)cccc2C1 ZINC000762927483 585439552 /nfs/dbraw/zinc/43/95/52/585439552.db2.gz UEKSVCKDROVWQR-UHFFFAOYSA-N 1 2 233.286 1.834 20 30 BDEDLO C#CC[N@@H+](Cc1cnc(C)cn1)C1CC1 ZINC000763950074 585457754 /nfs/dbraw/zinc/45/77/54/585457754.db2.gz ITTWLTIJYRPZBX-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CC[N@H+](Cc1cnc(C)cn1)C1CC1 ZINC000763950074 585457755 /nfs/dbraw/zinc/45/77/55/585457755.db2.gz ITTWLTIJYRPZBX-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000766921058 585511951 /nfs/dbraw/zinc/51/19/51/585511951.db2.gz SWJWFGLKNGASRQ-LBPRGKRZSA-N 1 2 248.351 1.634 20 30 BDEDLO C#CCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000766921058 585511952 /nfs/dbraw/zinc/51/19/52/585511952.db2.gz SWJWFGLKNGASRQ-LBPRGKRZSA-N 1 2 248.351 1.634 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn2cccc(F)c2n1 ZINC000769105702 585549248 /nfs/dbraw/zinc/54/92/48/585549248.db2.gz ONBYGMYHNZVIFD-UHFFFAOYSA-N 1 2 231.274 1.929 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn2cccc(F)c2n1 ZINC000769105702 585549249 /nfs/dbraw/zinc/54/92/49/585549249.db2.gz ONBYGMYHNZVIFD-UHFFFAOYSA-N 1 2 231.274 1.929 20 30 BDEDLO Cc1ccc2[nH+]cc(C=NN3CCCC3=O)n2c1 ZINC000769589482 585560297 /nfs/dbraw/zinc/56/02/97/585560297.db2.gz LBNAEFMRGRRMMP-UHFFFAOYSA-N 1 2 242.282 1.599 20 30 BDEDLO FC(F)(F)CNN=Cc1cccc2[nH+]ccn21 ZINC000769810264 585564393 /nfs/dbraw/zinc/56/43/93/585564393.db2.gz KLTOPOJBSLUJHN-UHFFFAOYSA-N 1 2 242.204 1.820 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000769961434 585567640 /nfs/dbraw/zinc/56/76/40/585567640.db2.gz KQULNLQYVYBBNU-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000769961434 585567641 /nfs/dbraw/zinc/56/76/41/585567641.db2.gz KQULNLQYVYBBNU-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C=CCCOCC(=O)OCCn1cc[nH+]c1 ZINC000771938860 585604997 /nfs/dbraw/zinc/60/49/97/585604997.db2.gz QRBHHPGLYSKBSK-UHFFFAOYSA-N 1 2 224.260 1.019 20 30 BDEDLO C#Cc1ccc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000771953329 585605435 /nfs/dbraw/zinc/60/54/35/585605435.db2.gz UPYRLJMSGFXOAZ-UHFFFAOYSA-N 1 2 241.250 1.116 20 30 BDEDLO N#Cc1csc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000772000151 585606680 /nfs/dbraw/zinc/60/66/80/585606680.db2.gz ITRNWEFLTMFOHY-UHFFFAOYSA-N 1 2 247.279 1.673 20 30 BDEDLO COc1cccc(O)c1/C=[NH+]\CCC(C)(C)O ZINC000773908022 585646372 /nfs/dbraw/zinc/64/63/72/585646372.db2.gz XWNXVEIAGNEJPJ-ZROIWOOFSA-N 1 2 237.299 1.981 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000775400302 585677675 /nfs/dbraw/zinc/67/76/75/585677675.db2.gz NMVRIDKZVYVUTP-NSHDSACASA-N 1 2 242.282 1.365 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000775400300 585677694 /nfs/dbraw/zinc/67/76/94/585677694.db2.gz NMVRIDKZVYVUTP-LLVKDONJSA-N 1 2 242.282 1.365 20 30 BDEDLO C[C@H](CC#N)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000775637744 585682055 /nfs/dbraw/zinc/68/20/55/585682055.db2.gz XHAAMELADRHILG-SECBINFHSA-N 1 2 243.270 1.758 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(CC)no1)[C@@H]1CCCO1 ZINC000775791052 585684986 /nfs/dbraw/zinc/68/49/86/585684986.db2.gz RWAOKXQOOPPVJP-DCAQKATOSA-N 1 2 249.314 1.463 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccc(C)n1)[C@H]1CCCO1 ZINC000775798424 585685363 /nfs/dbraw/zinc/68/53/63/585685363.db2.gz HFGCNXWRSCQEMG-VXGBXAGGSA-N 1 2 231.299 1.055 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nc(C)no1)[C@@H]1CCCO1 ZINC000775795702 585685401 /nfs/dbraw/zinc/68/54/01/585685401.db2.gz PJRIKOIFKLVNPD-MIMYLULJSA-N 1 2 235.287 1.209 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccn1C(C)C)[C@H]1CCCO1 ZINC000775800497 585685686 /nfs/dbraw/zinc/68/56/86/585685686.db2.gz SRPLJADHROYLAH-CHWSQXEVSA-N 1 2 247.342 1.734 20 30 BDEDLO C=CCCC(=O)OC1C[NH+](CCOCC)C1 ZINC000776307275 585695532 /nfs/dbraw/zinc/69/55/32/585695532.db2.gz SADJUGRLNJUCMK-UHFFFAOYSA-N 1 2 227.304 1.217 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000776467344 585699009 /nfs/dbraw/zinc/69/90/09/585699009.db2.gz SWVUIHOQMDTRDX-STQMWFEESA-N 1 2 234.343 1.200 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN1CN=NC1=O ZINC000776725842 585703653 /nfs/dbraw/zinc/70/36/53/585703653.db2.gz FFJFUZKCECHSNH-UHFFFAOYSA-N 1 2 231.259 1.154 20 30 BDEDLO COc1cccc(N[NH+]=Cc2cccnc2N)n1 ZINC000779817050 585766984 /nfs/dbraw/zinc/76/69/84/585766984.db2.gz HSBJBYYMXZZTJW-UHFFFAOYSA-N 1 2 243.270 1.513 20 30 BDEDLO C=CCOCCNC(=O)c1cccc2[nH+]ccn21 ZINC000780246097 585774665 /nfs/dbraw/zinc/77/46/65/585774665.db2.gz GFTWXOXLHNRZMZ-UHFFFAOYSA-N 1 2 245.282 1.267 20 30 BDEDLO COc1ccc(N[NH+]=Cc2cccnc2N)nc1 ZINC000780267892 585776449 /nfs/dbraw/zinc/77/64/49/585776449.db2.gz AHZZZSZALJCNET-UHFFFAOYSA-N 1 2 243.270 1.513 20 30 BDEDLO CC[C@H](C#N)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000781195566 585792926 /nfs/dbraw/zinc/79/29/26/585792926.db2.gz VTBUTWLYCGSTQI-SNVBAGLBSA-N 1 2 233.271 1.442 20 30 BDEDLO C#CCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000781945925 585805742 /nfs/dbraw/zinc/80/57/42/585805742.db2.gz RFPBKLHHBMIBLU-VIFPVBQESA-N 1 2 203.232 1.102 20 30 BDEDLO C#CCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000781945925 585805743 /nfs/dbraw/zinc/80/57/43/585805743.db2.gz RFPBKLHHBMIBLU-VIFPVBQESA-N 1 2 203.232 1.102 20 30 BDEDLO Cc1cc(CO[NH+]=C(N)CCO)ccc1C#N ZINC000783042622 585827422 /nfs/dbraw/zinc/82/74/22/585827422.db2.gz QUUZAPBQNXRIOT-UHFFFAOYSA-N 1 2 233.271 1.248 20 30 BDEDLO N#CC1(C(=O)OCCCn2cc[nH+]c2)CCC1 ZINC000783726969 585840844 /nfs/dbraw/zinc/84/08/44/585840844.db2.gz WZMBFTDWDGXGOR-UHFFFAOYSA-N 1 2 233.271 1.510 20 30 BDEDLO C#CCOCCNc1cc[nH+]c2ccncc12 ZINC000784242533 585853389 /nfs/dbraw/zinc/85/33/89/585853389.db2.gz ZBYPCPOTHZFKCK-UHFFFAOYSA-N 1 2 227.267 1.113 20 30 BDEDLO C#CCC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000784756097 585865846 /nfs/dbraw/zinc/86/58/46/585865846.db2.gz NBQXGQSYVNGEKI-UHFFFAOYSA-N 1 2 234.299 1.866 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(=C\C)CC)CC1 ZINC000788765933 585930125 /nfs/dbraw/zinc/93/01/25/585930125.db2.gz OUBVNYLHRRFWFZ-XGICHPGQSA-N 1 2 220.316 1.120 20 30 BDEDLO COc1c(O)cccc1C=NNc1[nH+]ccn1C ZINC000790302021 585963166 /nfs/dbraw/zinc/96/31/66/585963166.db2.gz LSWYJHRLRRQIGD-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccccc1C#N ZINC000790305901 585963391 /nfs/dbraw/zinc/96/33/91/585963391.db2.gz QAFAOBVHORTESA-UHFFFAOYSA-N 1 2 225.255 1.738 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccs1 ZINC000790305261 585963465 /nfs/dbraw/zinc/96/34/65/585963465.db2.gz HFPMDQMGXXKXOQ-UHFFFAOYSA-N 1 2 206.274 1.928 20 30 BDEDLO C=C(Cl)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000791364421 585979174 /nfs/dbraw/zinc/97/91/74/585979174.db2.gz OFLJGHCQKUUSKF-UHFFFAOYSA-N 1 2 227.695 1.556 20 30 BDEDLO C#C[C@H](CCC)NC(=O)CCCn1cc[nH+]c1 ZINC000791743308 585987009 /nfs/dbraw/zinc/98/70/09/585987009.db2.gz VIVHIYHLGJWPAG-GFCCVEGCSA-N 1 2 233.315 1.581 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)C1(C#N)CCC1 ZINC000793257476 586015307 /nfs/dbraw/zinc/01/53/07/586015307.db2.gz HXKVQGSPTWENIS-UHFFFAOYSA-N 1 2 233.271 1.200 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2F)o1 ZINC000793283068 586015951 /nfs/dbraw/zinc/01/59/51/586015951.db2.gz ZZOSQDCNBUZOBG-UHFFFAOYSA-N 1 2 231.230 1.975 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ccccn2)c1 ZINC000794472377 586040351 /nfs/dbraw/zinc/04/03/51/586040351.db2.gz WPPNRWKBQRKBKH-UHFFFAOYSA-N 1 2 201.233 1.261 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)[C@H]1CCCO1 ZINC000794498059 586041057 /nfs/dbraw/zinc/04/10/57/586041057.db2.gz JRHQXFMQQCMWGW-GHMZBOCLSA-N 1 2 248.330 1.199 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1ccnc(F)c1 ZINC000794935836 586056623 /nfs/dbraw/zinc/05/66/23/586056623.db2.gz LFZVMXAXFPUJAP-UHFFFAOYSA-N 1 2 233.250 1.790 20 30 BDEDLO C#CCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000796309746 586100350 /nfs/dbraw/zinc/10/03/50/586100350.db2.gz YPKRPDZRFDSHAD-BDAKNGLRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000796309746 586100351 /nfs/dbraw/zinc/10/03/51/586100351.db2.gz YPKRPDZRFDSHAD-BDAKNGLRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[C@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000798421083 586143701 /nfs/dbraw/zinc/14/37/01/586143701.db2.gz ISJNXHCMIPBGGI-JTQLQIEISA-N 1 2 244.298 1.453 20 30 BDEDLO C#CCC[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000798419649 586143792 /nfs/dbraw/zinc/14/37/92/586143792.db2.gz PFGZNUGTOGTVRX-NSHDSACASA-N 1 2 241.294 1.238 20 30 BDEDLO CCC(CC)[NH2+]NC1=CC(=O)N2CCC[C@H]12 ZINC000799480287 586178843 /nfs/dbraw/zinc/17/88/43/586178843.db2.gz IXOZVEZHVXMLPS-LLVKDONJSA-N 1 2 223.320 1.515 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCCC(C)(C)C#N ZINC000799961439 586203744 /nfs/dbraw/zinc/20/37/44/586203744.db2.gz NJUMZLUJXBLXKH-QMMMGPOBSA-N 1 2 213.281 1.460 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2ccccn2)cn1C ZINC000800807157 586230843 /nfs/dbraw/zinc/23/08/43/586230843.db2.gz RQXKDTSRMSIGGP-UHFFFAOYSA-N 1 2 229.287 1.960 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2ncc(F)cn2)cn1C ZINC000800815455 586232116 /nfs/dbraw/zinc/23/21/16/586232116.db2.gz ZPPJWEDWMSQBEL-UHFFFAOYSA-N 1 2 248.265 1.494 20 30 BDEDLO C=CC[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000859445361 589037467 /nfs/dbraw/zinc/03/74/67/589037467.db2.gz HHOKQNNXDMBEOT-SECBINFHSA-N 1 2 209.318 1.936 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000859445361 589037469 /nfs/dbraw/zinc/03/74/69/589037469.db2.gz HHOKQNNXDMBEOT-SECBINFHSA-N 1 2 209.318 1.936 20 30 BDEDLO CC#CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000801259955 586250917 /nfs/dbraw/zinc/25/09/17/586250917.db2.gz YHFLIPQOXMRIJW-LLVKDONJSA-N 1 2 231.299 1.149 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840047792 586396215 /nfs/dbraw/zinc/39/62/15/586396215.db2.gz MVPGCWHIIROVAM-QWHCGFSZSA-N 1 2 234.343 1.709 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840047792 586396218 /nfs/dbraw/zinc/39/62/18/586396218.db2.gz MVPGCWHIIROVAM-QWHCGFSZSA-N 1 2 234.343 1.709 20 30 BDEDLO C#C[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000806380848 586411069 /nfs/dbraw/zinc/41/10/69/586411069.db2.gz IPICEJSEDARUDH-SECBINFHSA-N 1 2 217.272 1.264 20 30 BDEDLO Nc1ccc(C=[NH+]Nc2ccnc(F)c2)cn1 ZINC000807982814 586455245 /nfs/dbraw/zinc/45/52/45/586455245.db2.gz OOSGLMRDLLRVQL-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO COc1cccc(O)c1/C=N/Cc1c[nH+]cn1C ZINC000811624623 586562142 /nfs/dbraw/zinc/56/21/42/586562142.db2.gz LHGGBVVXBQGTQC-RIYZIHGNSA-N 1 2 245.282 1.753 20 30 BDEDLO Cn1c[nH+]cc1C=NNC[C@@H]1CCSC1 ZINC000811659299 586564639 /nfs/dbraw/zinc/56/46/39/586564639.db2.gz UWGRGHWZEOZBJV-VIFPVBQESA-N 1 2 224.333 1.097 20 30 BDEDLO C#CCCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000840271673 586589052 /nfs/dbraw/zinc/58/90/52/586589052.db2.gz XBPUKTJYOFHGFT-SNVBAGLBSA-N 1 2 234.303 1.095 20 30 BDEDLO C#CCCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000840271673 586589053 /nfs/dbraw/zinc/58/90/53/586589053.db2.gz XBPUKTJYOFHGFT-SNVBAGLBSA-N 1 2 234.303 1.095 20 30 BDEDLO C[C@H](N[NH+]=Cc1cn(C)[nH]c1=O)c1ccccc1 ZINC000814220417 586618046 /nfs/dbraw/zinc/61/80/46/586618046.db2.gz WZJCNGMYFGVIND-JTQLQIEISA-N 1 2 244.298 1.810 20 30 BDEDLO CCOC(C[N@H+](C)CC(C)(C)C#N)OCC ZINC000814668713 586627726 /nfs/dbraw/zinc/62/77/26/586627726.db2.gz AGLZUYWGHJDMAA-UHFFFAOYSA-N 1 2 228.336 1.867 20 30 BDEDLO CCOC(C[N@@H+](C)CC(C)(C)C#N)OCC ZINC000814668713 586627728 /nfs/dbraw/zinc/62/77/28/586627728.db2.gz AGLZUYWGHJDMAA-UHFFFAOYSA-N 1 2 228.336 1.867 20 30 BDEDLO CC(=[NH+]NCCCO)c1cc(F)c(N)c(F)c1 ZINC000814838863 586637785 /nfs/dbraw/zinc/63/77/85/586637785.db2.gz AMBUWCAQMAWXGC-UHFFFAOYSA-N 1 2 243.257 1.243 20 30 BDEDLO Cc1ccnc(N[NH+]=Cc2cnn(C)c2N)c1 ZINC000814868517 586640523 /nfs/dbraw/zinc/64/05/23/586640523.db2.gz WGDRDYCAWFEKEG-UHFFFAOYSA-N 1 2 230.275 1.152 20 30 BDEDLO CC(=[NH+]O[C@H]1CCCCO1)c1ccc(N)nc1 ZINC000814887770 586643441 /nfs/dbraw/zinc/64/34/41/586643441.db2.gz MLBMUIWNAUBKLM-LBPRGKRZSA-N 1 2 235.287 1.931 20 30 BDEDLO CC(=[NH+]Nc1cncnc1)c1ccc(N)nc1 ZINC000814926786 586652394 /nfs/dbraw/zinc/65/23/94/586652394.db2.gz JYULUNGUZLMTPF-UHFFFAOYSA-N 1 2 228.259 1.290 20 30 BDEDLO C=CCC(F)(F)C(=O)NCc1c[nH+]c[nH]1 ZINC000815667043 586691215 /nfs/dbraw/zinc/69/12/15/586691215.db2.gz SKJVGSCAQGHGCN-UHFFFAOYSA-N 1 2 215.203 1.237 20 30 BDEDLO C=CCC(F)(F)C(=O)NCc1c[nH]c[nH+]1 ZINC000815667043 586691216 /nfs/dbraw/zinc/69/12/16/586691216.db2.gz SKJVGSCAQGHGCN-UHFFFAOYSA-N 1 2 215.203 1.237 20 30 BDEDLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]CCC#N ZINC000819083256 586929358 /nfs/dbraw/zinc/92/93/58/586929358.db2.gz YQJUHTBJMJMVPX-LLVKDONJSA-N 1 2 216.288 1.666 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNC(=S)N(C)C ZINC000819808222 586995900 /nfs/dbraw/zinc/99/59/00/586995900.db2.gz SGHOBTDVAXMUAW-UHFFFAOYSA-N 1 2 239.348 1.234 20 30 BDEDLO C#CCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000820346826 587044474 /nfs/dbraw/zinc/04/44/74/587044474.db2.gz NWQBUILNMNENKL-ZDUSSCGKSA-N 1 2 247.342 2.000 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000820435464 587048974 /nfs/dbraw/zinc/04/89/74/587048974.db2.gz JJECSZJZRXLOOP-WDEREUQCSA-N 1 2 246.314 1.668 20 30 BDEDLO C#CC1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)CC1 ZINC000823579624 587232007 /nfs/dbraw/zinc/23/20/07/587232007.db2.gz FRRLCZOVNFLTDY-SNAWJCMRSA-N 1 2 243.310 1.305 20 30 BDEDLO N#Cc1ccc2ncc(C[NH+]3CC4(CC4)C3)n2c1 ZINC000824533833 587274270 /nfs/dbraw/zinc/27/42/70/587274270.db2.gz PSPGIWIRBUGCSY-UHFFFAOYSA-N 1 2 238.294 1.802 20 30 BDEDLO CC(C)C#CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000825738749 587335789 /nfs/dbraw/zinc/33/57/89/587335789.db2.gz SMMURNJJAFXDER-LBPRGKRZSA-N 1 2 245.326 1.775 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000827634546 587394026 /nfs/dbraw/zinc/39/40/26/587394026.db2.gz SPFZYCGLWJJHGP-VIFPVBQESA-N 1 2 231.299 1.043 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000827634546 587394027 /nfs/dbraw/zinc/39/40/27/587394027.db2.gz SPFZYCGLWJJHGP-VIFPVBQESA-N 1 2 231.299 1.043 20 30 BDEDLO CC#CC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829071091 587482045 /nfs/dbraw/zinc/48/20/45/587482045.db2.gz UIKPDGUSNHRVCH-UHFFFAOYSA-N 1 2 229.283 1.197 20 30 BDEDLO C#CC1(NC(=O)/C=C\c2cn(C)c[nH+]2)CCCC1 ZINC000829465607 587498951 /nfs/dbraw/zinc/49/89/51/587498951.db2.gz DVOHJESVPXMWMA-SREVYHEPSA-N 1 2 243.310 1.496 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000829815311 587519845 /nfs/dbraw/zinc/51/98/45/587519845.db2.gz JPDXUTNBYTVVTJ-JTQLQIEISA-N 1 2 221.329 1.773 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000829815311 587519846 /nfs/dbraw/zinc/51/98/46/587519846.db2.gz JPDXUTNBYTVVTJ-JTQLQIEISA-N 1 2 221.329 1.773 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)OCC(C)C ZINC000831683096 587627459 /nfs/dbraw/zinc/62/74/59/587627459.db2.gz KJGWMBOZXNPNDI-MNOVXSKESA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832369900 587656417 /nfs/dbraw/zinc/65/64/17/587656417.db2.gz RAYAPZRFWUXIJY-UHFFFAOYSA-N 1 2 226.345 1.988 20 30 BDEDLO C=CC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832369900 587656418 /nfs/dbraw/zinc/65/64/18/587656418.db2.gz RAYAPZRFWUXIJY-UHFFFAOYSA-N 1 2 226.345 1.988 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000832544313 587665652 /nfs/dbraw/zinc/66/56/52/587665652.db2.gz MWIQIOFEUWLUJE-SNVBAGLBSA-N 1 2 245.754 1.475 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000832544313 587665654 /nfs/dbraw/zinc/66/56/54/587665654.db2.gz MWIQIOFEUWLUJE-SNVBAGLBSA-N 1 2 245.754 1.475 20 30 BDEDLO C=CC(C)(C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000832714672 587678994 /nfs/dbraw/zinc/67/89/94/587678994.db2.gz MMLBYTAEXUIUMA-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nccn1CC)[C@@H]1CCCO1 ZINC000834768240 587766601 /nfs/dbraw/zinc/76/66/01/587766601.db2.gz ABVSMZHVHQQBHE-AVGNSLFASA-N 1 2 247.342 1.734 20 30 BDEDLO C=CCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000835013013 587777946 /nfs/dbraw/zinc/77/79/46/587777946.db2.gz DIHZSLUGUQNRAK-UHFFFAOYSA-N 1 2 211.290 1.746 20 30 BDEDLO CC(C)(C)C#CC(=O)NCCCCn1cc[nH+]c1 ZINC000837415850 587871148 /nfs/dbraw/zinc/87/11/48/587871148.db2.gz ZOCKABLLJXNIHV-UHFFFAOYSA-N 1 2 247.342 1.829 20 30 BDEDLO CCC1(C/[NH+]=C/c2cccc(O)c2O)COC1 ZINC000840709257 587917734 /nfs/dbraw/zinc/91/77/34/587917734.db2.gz LZTWLDSDIQDRJU-MKMNVTDBSA-N 1 2 235.283 1.943 20 30 BDEDLO CCn1c[nH+]cc1CN=Nc1cc(C)nc(C)n1 ZINC000841619709 587960678 /nfs/dbraw/zinc/96/06/78/587960678.db2.gz QCQUMCKHNADZPY-UHFFFAOYSA-N 1 2 244.302 1.756 20 30 BDEDLO N#CC1CC[NH+](CN2CC(F)(F)CC2=O)CC1 ZINC000841674347 587971490 /nfs/dbraw/zinc/97/14/90/587971490.db2.gz GSYOSTQHNUVIQN-UHFFFAOYSA-N 1 2 243.257 1.047 20 30 BDEDLO C(=[NH+]n1ccnn1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000842535125 588035682 /nfs/dbraw/zinc/03/56/82/588035682.db2.gz CQMXBRAAWVLVSP-VWYCJHECSA-N 1 2 202.261 1.714 20 30 BDEDLO C#CCCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655358 588050206 /nfs/dbraw/zinc/05/02/06/588050206.db2.gz FEDVLHBAFAHDLQ-NSHDSACASA-N 1 2 240.303 1.094 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844289823 588181672 /nfs/dbraw/zinc/18/16/72/588181672.db2.gz HBDVSMFGNPYVAK-MWLCHTKSSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844289823 588181675 /nfs/dbraw/zinc/18/16/75/588181675.db2.gz HBDVSMFGNPYVAK-MWLCHTKSSA-N 1 2 237.303 1.061 20 30 BDEDLO CC/C=C(/C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844529778 588200732 /nfs/dbraw/zinc/20/07/32/588200732.db2.gz WXWIGSUSPPYUMB-UMAGTOLTSA-N 1 2 223.320 1.303 20 30 BDEDLO C=C[C@H](C)ONC(=O)Nc1cc(C)[nH+]cc1C ZINC000844595771 588207003 /nfs/dbraw/zinc/20/70/03/588207003.db2.gz FAZMKCOMWNVDDE-JTQLQIEISA-N 1 2 235.287 1.748 20 30 BDEDLO CC[C@H](C#N)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283723 588225818 /nfs/dbraw/zinc/22/58/18/588225818.db2.gz GPQCEPYZYGPRED-NXEZZACHSA-N 1 2 221.260 1.680 20 30 BDEDLO C[C@@H](C#N)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845496029 588230763 /nfs/dbraw/zinc/23/07/63/588230763.db2.gz ZIGZGYMZQYRALC-UWVGGRQHSA-N 1 2 221.260 1.537 20 30 BDEDLO C=C[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845522112 588231755 /nfs/dbraw/zinc/23/17/55/588231755.db2.gz JUIJRMDCHAWXKG-UWVGGRQHSA-N 1 2 208.261 1.952 20 30 BDEDLO C=C(C)CONC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000845610179 588235947 /nfs/dbraw/zinc/23/59/47/588235947.db2.gz FSJCCZOEKATBLH-SECBINFHSA-N 1 2 236.275 1.135 20 30 BDEDLO C=CCC(F)(F)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846247565 588262543 /nfs/dbraw/zinc/26/25/43/588262543.db2.gz RYXNPXMQTBGVRG-UHFFFAOYSA-N 1 2 243.257 1.972 20 30 BDEDLO C=C[C@H](C)ONC(=O)CCCn1cc[nH+]c1 ZINC000846548113 588274903 /nfs/dbraw/zinc/27/49/03/588274903.db2.gz DDRIXEFRVOEMKQ-JTQLQIEISA-N 1 2 223.276 1.286 20 30 BDEDLO C=CCCn1cc(C[NH+]2CCC(C#N)CC2)nn1 ZINC000846789798 588288520 /nfs/dbraw/zinc/28/85/20/588288520.db2.gz JPNSJORQNJMFEZ-UHFFFAOYSA-N 1 2 245.330 1.590 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(Cl)cn1 ZINC000846982988 588300188 /nfs/dbraw/zinc/30/01/88/588300188.db2.gz RMMQIJDTVZNFGO-MRVPVSSYSA-N 1 2 224.695 1.912 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000847018357 588302162 /nfs/dbraw/zinc/30/21/62/588302162.db2.gz JUCMEOCLSNLDTO-GFCCVEGCSA-N 1 2 246.358 1.878 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000847018357 588302163 /nfs/dbraw/zinc/30/21/63/588302163.db2.gz JUCMEOCLSNLDTO-GFCCVEGCSA-N 1 2 246.358 1.878 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)NC(C)(C)C#N)ccn12 ZINC000847475713 588314343 /nfs/dbraw/zinc/31/43/43/588314343.db2.gz MQUNNLBWOYDKFF-UHFFFAOYSA-N 1 2 242.282 1.675 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848245481 588367230 /nfs/dbraw/zinc/36/72/30/588367230.db2.gz MAZHLCYITTYOGF-DTWKUNHWSA-N 1 2 223.276 1.211 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848245481 588367231 /nfs/dbraw/zinc/36/72/31/588367231.db2.gz MAZHLCYITTYOGF-DTWKUNHWSA-N 1 2 223.276 1.211 20 30 BDEDLO CS[C@@H]1CCC1=NNCCCn1cc[nH+]c1 ZINC000848416812 588381626 /nfs/dbraw/zinc/38/16/26/588381626.db2.gz ZJMNUJBKLXAFTK-LLVKDONJSA-N 1 2 238.360 1.744 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1CCCn2ccnc21)[C@H]1CCCO1 ZINC000848545436 588395149 /nfs/dbraw/zinc/39/51/49/588395149.db2.gz FRNIZJXKJJOJGH-YNEHKIRRSA-N 1 2 245.326 1.488 20 30 BDEDLO N#CCC1C[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000849327724 588472834 /nfs/dbraw/zinc/47/28/34/588472834.db2.gz UZSMCNMBCPXZEE-ZDUSSCGKSA-N 1 2 234.274 1.705 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000850144540 588521616 /nfs/dbraw/zinc/52/16/16/588521616.db2.gz LJJCCVFHTFKIRB-UHFFFAOYSA-N 1 2 226.711 1.845 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851744915 588622003 /nfs/dbraw/zinc/62/20/03/588622003.db2.gz RRHRENQAYQOBLL-NXEZZACHSA-N 1 2 212.293 1.229 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851744915 588622004 /nfs/dbraw/zinc/62/20/04/588622004.db2.gz RRHRENQAYQOBLL-NXEZZACHSA-N 1 2 212.293 1.229 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851810154 588632187 /nfs/dbraw/zinc/63/21/87/588632187.db2.gz XSGWJJHBNCEKNZ-ZYHUDNBSSA-N 1 2 219.288 1.349 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851810154 588632188 /nfs/dbraw/zinc/63/21/88/588632188.db2.gz XSGWJJHBNCEKNZ-ZYHUDNBSSA-N 1 2 219.288 1.349 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000851922373 588644344 /nfs/dbraw/zinc/64/43/44/588644344.db2.gz HVECOTGDDWOOFL-KGLIPLIRSA-N 1 2 245.326 1.741 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000851922373 588644345 /nfs/dbraw/zinc/64/43/45/588644345.db2.gz HVECOTGDDWOOFL-KGLIPLIRSA-N 1 2 245.326 1.741 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(CCC)n1 ZINC000852100047 588662570 /nfs/dbraw/zinc/66/25/70/588662570.db2.gz SAKIYBXARJAROH-LBPRGKRZSA-N 1 2 221.304 1.914 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(C2CC2)n1 ZINC000852099593 588662600 /nfs/dbraw/zinc/66/26/00/588662600.db2.gz NGQPPNDYDOSMDL-GFCCVEGCSA-N 1 2 219.288 1.839 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(OCC)s1 ZINC000852099186 588662634 /nfs/dbraw/zinc/66/26/34/588662634.db2.gz GLEMSCBFVNFQOJ-NSHDSACASA-N 1 2 239.344 1.828 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1noc(C)n1 ZINC000852103725 588663833 /nfs/dbraw/zinc/66/38/33/588663833.db2.gz POOYAVPATQNSQN-LDYMZIIASA-N 1 2 207.277 1.831 20 30 BDEDLO C#C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000852304176 588677603 /nfs/dbraw/zinc/67/76/03/588677603.db2.gz HMAMPOINQJTTSZ-NSHDSACASA-N 1 2 234.303 1.209 20 30 BDEDLO C#C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000852304176 588677604 /nfs/dbraw/zinc/67/76/04/588677604.db2.gz HMAMPOINQJTTSZ-NSHDSACASA-N 1 2 234.303 1.209 20 30 BDEDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319816 588678142 /nfs/dbraw/zinc/67/81/42/588678142.db2.gz SBRCUIQWEQCKGO-NWDGAFQWSA-N 1 2 238.331 1.954 20 30 BDEDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319816 588678143 /nfs/dbraw/zinc/67/81/43/588678143.db2.gz SBRCUIQWEQCKGO-NWDGAFQWSA-N 1 2 238.331 1.954 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000862133272 589192834 /nfs/dbraw/zinc/19/28/34/589192834.db2.gz WEXJEOAMVWIBTL-WDEREUQCSA-N 1 2 249.314 1.376 20 30 BDEDLO C=CCCONC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000862217566 589195291 /nfs/dbraw/zinc/19/52/91/589195291.db2.gz JHHQYFBRMAFJQV-LLVKDONJSA-N 1 2 249.314 1.378 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000862392635 589208080 /nfs/dbraw/zinc/20/80/80/589208080.db2.gz NYCWPOUEPGLZBI-IXOXFDKPSA-N 1 2 235.327 1.576 20 30 BDEDLO C#CC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000862860154 589244654 /nfs/dbraw/zinc/24/46/54/589244654.db2.gz SZNZHJGTKCQSGO-UHFFFAOYSA-N 1 2 246.314 1.070 20 30 BDEDLO CCC(=[NH+]Nc1cnnn1C)c1ccc(N)cc1 ZINC000863117251 589259676 /nfs/dbraw/zinc/25/96/76/589259676.db2.gz NZJDQKVOOBTRHE-UHFFFAOYSA-N 1 2 244.302 1.624 20 30 BDEDLO Nc1ccc2c([nH+]1)CCCC2=Nn1cccn1 ZINC000863163710 589266349 /nfs/dbraw/zinc/26/63/49/589266349.db2.gz MWMNHNOLGXOEJN-UHFFFAOYSA-N 1 2 227.271 1.449 20 30 BDEDLO CS(=O)(=O)[C@@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163675 589266363 /nfs/dbraw/zinc/26/63/63/589266363.db2.gz LYAKUVOUEWKLRU-SNVBAGLBSA-N 1 2 241.316 1.074 20 30 BDEDLO CC(=[NH+]n1cccn1)C(C)(C)n1cncn1 ZINC000863163531 589266398 /nfs/dbraw/zinc/26/63/98/589266398.db2.gz HNSATCDGWWGEPU-UHFFFAOYSA-N 1 2 218.264 1.134 20 30 BDEDLO Cn1nccc1C(=O)/C=C/c1cn(C2CC2)c[nH+]1 ZINC000865225080 589414507 /nfs/dbraw/zinc/41/45/07/589414507.db2.gz YILMAPRDLYNTAL-GORDUTHDSA-N 1 2 242.282 1.848 20 30 BDEDLO N#Cc1cccnc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928197 589468934 /nfs/dbraw/zinc/46/89/34/589468934.db2.gz SWVGWOGQSDTGKR-GFCCVEGCSA-N 1 2 248.305 1.799 20 30 BDEDLO N#Cc1cccnc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928197 589468935 /nfs/dbraw/zinc/46/89/35/589468935.db2.gz SWVGWOGQSDTGKR-GFCCVEGCSA-N 1 2 248.305 1.799 20 30 BDEDLO C#CCCCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000120808604 589469277 /nfs/dbraw/zinc/46/92/77/589469277.db2.gz ZDWWMEDUDHKHEP-LLVKDONJSA-N 1 2 241.356 1.380 20 30 BDEDLO C[C@H]([NH2+]CC1(C)COC1)c1cccc(C#N)c1O ZINC000866264962 589483695 /nfs/dbraw/zinc/48/36/95/589483695.db2.gz HHOGQGFJYPBMIB-JTQLQIEISA-N 1 2 246.310 1.951 20 30 BDEDLO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C#N)c1O ZINC000866379364 589488778 /nfs/dbraw/zinc/48/87/78/589488778.db2.gz MBIJMQXXLDTKIU-GGZOMVNGSA-N 1 2 232.283 1.438 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1ccc(C#N)o1 ZINC000871735291 589801071 /nfs/dbraw/zinc/80/10/71/589801071.db2.gz ODSIQGAFXMGOKA-SSDOTTSWSA-N 1 2 223.232 1.185 20 30 BDEDLO C#CCSCC(=O)Nc1c[nH+]ccc1OC ZINC000888596870 589896143 /nfs/dbraw/zinc/89/61/43/589896143.db2.gz FFIUFFUATSMCAJ-UHFFFAOYSA-N 1 2 236.296 1.395 20 30 BDEDLO N#CCC[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC000872241751 589899510 /nfs/dbraw/zinc/89/95/10/589899510.db2.gz SAGTXOSTVSCKTR-UHFFFAOYSA-N 1 2 231.299 1.669 20 30 BDEDLO Cc1ccc(N=NC(C)c2cn(C)c[nH+]2)nn1 ZINC000872350635 589916213 /nfs/dbraw/zinc/91/62/13/589916213.db2.gz WCLHEPQBLYTDPI-UHFFFAOYSA-N 1 2 230.275 1.355 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000874862353 590150252 /nfs/dbraw/zinc/15/02/52/590150252.db2.gz DQUKTBCGDZOXNB-HAQNSBGRSA-N 1 2 245.326 1.651 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000874862353 590150254 /nfs/dbraw/zinc/15/02/54/590150254.db2.gz DQUKTBCGDZOXNB-HAQNSBGRSA-N 1 2 245.326 1.651 20 30 BDEDLO C=CCN(C(=O)[C@H]1COCC[N@H+]1CC)C(C)C ZINC000875153741 590161190 /nfs/dbraw/zinc/16/11/90/590161190.db2.gz IGYCKPPYFAWXKX-GFCCVEGCSA-N 1 2 240.347 1.130 20 30 BDEDLO C=CCN(C(=O)[C@H]1COCC[N@@H+]1CC)C(C)C ZINC000875153741 590161191 /nfs/dbraw/zinc/16/11/91/590161191.db2.gz IGYCKPPYFAWXKX-GFCCVEGCSA-N 1 2 240.347 1.130 20 30 BDEDLO C=CCN(C(=O)[C@@H]1COCC[N@H+]1CC)C(C)C ZINC000875153742 590161592 /nfs/dbraw/zinc/16/15/92/590161592.db2.gz IGYCKPPYFAWXKX-LBPRGKRZSA-N 1 2 240.347 1.130 20 30 BDEDLO C=CCN(C(=O)[C@@H]1COCC[N@@H+]1CC)C(C)C ZINC000875153742 590161594 /nfs/dbraw/zinc/16/15/94/590161594.db2.gz IGYCKPPYFAWXKX-LBPRGKRZSA-N 1 2 240.347 1.130 20 30 BDEDLO C[C@@H](C#N)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000876449915 590201284 /nfs/dbraw/zinc/20/12/84/590201284.db2.gz RZONBXOLFWAJDC-VIFPVBQESA-N 1 2 228.255 1.318 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000876734417 590234006 /nfs/dbraw/zinc/23/40/06/590234006.db2.gz SEOFVFGNGRMFEU-GXTWGEPZSA-N 1 2 246.358 1.598 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000876734417 590234008 /nfs/dbraw/zinc/23/40/08/590234008.db2.gz SEOFVFGNGRMFEU-GXTWGEPZSA-N 1 2 246.358 1.598 20 30 BDEDLO COc1cnc(F)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000877323581 590317125 /nfs/dbraw/zinc/31/71/25/590317125.db2.gz TXPGQXAHVPBMMZ-UHFFFAOYSA-N 1 2 237.278 1.869 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000877691014 590392860 /nfs/dbraw/zinc/39/28/60/590392860.db2.gz YHOBVULSXAVYPY-ILDUYXDCSA-N 1 2 227.304 1.261 20 30 BDEDLO C#CCCCCCN1CC[NH+](CCOC)CC1 ZINC000877951617 590455228 /nfs/dbraw/zinc/45/52/28/590455228.db2.gz YXXQUGOEFBECHJ-UHFFFAOYSA-N 1 2 238.375 1.444 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCSCC1 ZINC000877968265 590460848 /nfs/dbraw/zinc/46/08/48/590460848.db2.gz VJZFNERXQFMTMA-VIFPVBQESA-N 1 2 215.318 1.153 20 30 BDEDLO C#CC[N@@H+](CC(C)=O)Cc1ccc(F)cc1 ZINC000878000907 590469033 /nfs/dbraw/zinc/46/90/33/590469033.db2.gz JEHODFQMHASXGC-UHFFFAOYSA-N 1 2 219.259 1.850 20 30 BDEDLO C#CC[N@H+](CC(C)=O)Cc1ccc(F)cc1 ZINC000878000907 590469035 /nfs/dbraw/zinc/46/90/35/590469035.db2.gz JEHODFQMHASXGC-UHFFFAOYSA-N 1 2 219.259 1.850 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878167017 590514224 /nfs/dbraw/zinc/51/42/24/590514224.db2.gz MDPVNZVWDJYVDH-VIFPVBQESA-N 1 2 236.271 1.477 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878167017 590514227 /nfs/dbraw/zinc/51/42/27/590514227.db2.gz MDPVNZVWDJYVDH-VIFPVBQESA-N 1 2 236.271 1.477 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000878606686 590595484 /nfs/dbraw/zinc/59/54/84/590595484.db2.gz OCHNAUCKNIIFGH-UTLUCORTSA-N 1 2 229.345 1.445 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C=C)C(=O)OC ZINC000878675065 590608022 /nfs/dbraw/zinc/60/80/22/590608022.db2.gz CJQILKLEBNIDDF-MXWKQRLJSA-N 1 2 225.288 1.037 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)nc(C)n1)C1CSC1 ZINC000878910196 590641342 /nfs/dbraw/zinc/64/13/42/590641342.db2.gz IJOHTRRHOWJUGV-UHFFFAOYSA-N 1 2 247.367 1.644 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)nc(C)n1)C1CSC1 ZINC000878910196 590641344 /nfs/dbraw/zinc/64/13/44/590641344.db2.gz IJOHTRRHOWJUGV-UHFFFAOYSA-N 1 2 247.367 1.644 20 30 BDEDLO C#CC[N@H+](CC1(C#N)CC1)C1CSC1 ZINC000878911130 590649209 /nfs/dbraw/zinc/64/92/09/590649209.db2.gz DKSWBFFEYCUDTA-UHFFFAOYSA-N 1 2 206.314 1.341 20 30 BDEDLO C#CC[N@@H+](CC1(C#N)CC1)C1CSC1 ZINC000878911130 590649210 /nfs/dbraw/zinc/64/92/10/590649210.db2.gz DKSWBFFEYCUDTA-UHFFFAOYSA-N 1 2 206.314 1.341 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)[C@@H](C)CC(C)C ZINC000879471592 590775733 /nfs/dbraw/zinc/77/57/33/590775733.db2.gz AVEHXFGRMZLBIP-NSHDSACASA-N 1 2 226.320 1.810 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)[C@@H](C)CC(C)C ZINC000879471592 590775735 /nfs/dbraw/zinc/77/57/35/590775735.db2.gz AVEHXFGRMZLBIP-NSHDSACASA-N 1 2 226.320 1.810 20 30 BDEDLO C=CC[N@H+]1CCN[C@@H](c2ccc(OC)cc2)C1 ZINC000879517897 590786534 /nfs/dbraw/zinc/78/65/34/590786534.db2.gz CZQAJDHOOPFLOQ-CQSZACIVSA-N 1 2 232.327 1.828 20 30 BDEDLO C#CC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879630574 590839310 /nfs/dbraw/zinc/83/93/10/590839310.db2.gz FMRICBROTGBXND-AWEZNQCLSA-N 1 2 231.295 1.702 20 30 BDEDLO C#CC[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879630574 590839306 /nfs/dbraw/zinc/83/93/06/590839306.db2.gz FMRICBROTGBXND-AWEZNQCLSA-N 1 2 231.295 1.702 20 30 BDEDLO Cc1nccnc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000880108148 590927981 /nfs/dbraw/zinc/92/79/81/590927981.db2.gz OVZFGRCHPILDIG-SNVBAGLBSA-N 1 2 216.288 1.739 20 30 BDEDLO OC[C@@H]1C=CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000880489119 591065369 /nfs/dbraw/zinc/06/53/69/591065369.db2.gz QLYRZLRNVYVTQP-ZDUSSCGKSA-N 1 2 247.725 1.924 20 30 BDEDLO OC[C@@H]1C=CC[N@H+]1CC#Cc1ccccc1Cl ZINC000880489119 591065374 /nfs/dbraw/zinc/06/53/74/591065374.db2.gz QLYRZLRNVYVTQP-ZDUSSCGKSA-N 1 2 247.725 1.924 20 30 BDEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C#N)o1 ZINC000880591300 591103697 /nfs/dbraw/zinc/10/36/97/591103697.db2.gz FPOXOHKUPDMBHS-LBPRGKRZSA-N 1 2 249.314 1.483 20 30 BDEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000880591300 591103701 /nfs/dbraw/zinc/10/37/01/591103701.db2.gz FPOXOHKUPDMBHS-LBPRGKRZSA-N 1 2 249.314 1.483 20 30 BDEDLO C=C[C@@H](C)NC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880816407 591144075 /nfs/dbraw/zinc/14/40/75/591144075.db2.gz LVIKQNYDBGXKIW-SECBINFHSA-N 1 2 249.318 1.025 20 30 BDEDLO C=C[C@@H](C)NC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880816407 591144077 /nfs/dbraw/zinc/14/40/77/591144077.db2.gz LVIKQNYDBGXKIW-SECBINFHSA-N 1 2 249.318 1.025 20 30 BDEDLO C#CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC000882533506 591385039 /nfs/dbraw/zinc/38/50/39/591385039.db2.gz AMHLNAQIHZZLJE-UHFFFAOYSA-N 1 2 231.299 1.405 20 30 BDEDLO C#CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC000882533506 591385044 /nfs/dbraw/zinc/38/50/44/591385044.db2.gz AMHLNAQIHZZLJE-UHFFFAOYSA-N 1 2 231.299 1.405 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1nc[nH+]c(C)c1C ZINC000882670850 591408606 /nfs/dbraw/zinc/40/86/06/591408606.db2.gz DSTQRBXGTQUQIS-LBPRGKRZSA-N 1 2 233.315 1.934 20 30 BDEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccsc1 ZINC000027365962 591617329 /nfs/dbraw/zinc/61/73/29/591617329.db2.gz QSDANVUUXIMRRT-UHFFFAOYSA-N 1 2 237.328 1.210 20 30 BDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccsc1 ZINC000027365962 591617332 /nfs/dbraw/zinc/61/73/32/591617332.db2.gz QSDANVUUXIMRRT-UHFFFAOYSA-N 1 2 237.328 1.210 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1ccc(Cl)nc1 ZINC000131993629 591681826 /nfs/dbraw/zinc/68/18/26/591681826.db2.gz MCXQBCSPSVWXFE-SSDOTTSWSA-N 1 2 243.694 1.559 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1nnc(C(C)C)o1 ZINC000132482522 591713539 /nfs/dbraw/zinc/71/35/39/591713539.db2.gz CXWFQYZQHHEIDO-SSDOTTSWSA-N 1 2 242.279 1.017 20 30 BDEDLO 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BDEDLO C#CCC1(NC(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC000886804728 592334282 /nfs/dbraw/zinc/33/42/82/592334282.db2.gz GMTYQHYZXMKGSF-UHFFFAOYSA-N 1 2 217.272 1.014 20 30 BDEDLO C#CCC1(NC(=O)/C=C/c2cn(C)c[nH+]2)CCC1 ZINC000886807572 592334352 /nfs/dbraw/zinc/33/43/52/592334352.db2.gz RWXQPMDYTSWECK-AATRIKPKSA-N 1 2 243.310 1.496 20 30 BDEDLO C=CC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886958632 592400371 /nfs/dbraw/zinc/40/03/71/592400371.db2.gz BHEOBTUEONOXOM-MNOVXSKESA-N 1 2 227.304 1.263 20 30 BDEDLO C=C(C)C[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886959902 592402245 /nfs/dbraw/zinc/40/22/45/592402245.db2.gz YOCCXFCUODXUET-NWDGAFQWSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCCCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887076932 592435851 /nfs/dbraw/zinc/43/58/51/592435851.db2.gz ALHSASVXGGGIAP-NSHDSACASA-N 1 2 243.372 1.933 20 30 BDEDLO C=CCCCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887076932 592435848 /nfs/dbraw/zinc/43/58/48/592435848.db2.gz ALHSASVXGGGIAP-NSHDSACASA-N 1 2 243.372 1.933 20 30 BDEDLO 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C#CC[N@@H+]1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC000980666235 635257031 /nfs/dbraw/zinc/25/70/31/635257031.db2.gz ZNZJGRSTHIHXMX-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000928624597 636214614 /nfs/dbraw/zinc/21/46/14/636214614.db2.gz DSXJDZOMVFGKRW-LBPRGKRZSA-N 1 2 245.326 1.316 20 30 BDEDLO C[C@H]1/C(=C/c2c[nH+]cn2C)C(=O)c2nccn21 ZINC000901565770 637261887 /nfs/dbraw/zinc/26/18/87/637261887.db2.gz OOYATOBVGKMGIO-AMAGOZFHSA-N 1 2 228.255 1.458 20 30 BDEDLO C=CC[N@@H+](CCC(C)(C)O)CC(=O)OCC ZINC000148791387 637431557 /nfs/dbraw/zinc/43/15/57/637431557.db2.gz JTZSRYOGTAOSDH-UHFFFAOYSA-N 1 2 229.320 1.199 20 30 BDEDLO C=CC[N@H+](CCC(C)(C)O)CC(=O)OCC ZINC000148791387 637431566 /nfs/dbraw/zinc/43/15/66/637431566.db2.gz JTZSRYOGTAOSDH-UHFFFAOYSA-N 1 2 229.320 1.199 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cnn(C)n1 ZINC000905078382 637579352 /nfs/dbraw/zinc/57/93/52/637579352.db2.gz QIVLFWWEWLKTJI-PLNGDYQASA-N 1 2 245.286 1.489 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(CO)on1 ZINC000905077206 637609801 /nfs/dbraw/zinc/60/98/01/637609801.db2.gz RZEAJSUKWDOPHM-ONEGZZNKSA-N 1 2 247.254 1.279 20 30 BDEDLO C#CCN(C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000905145264 637653651 /nfs/dbraw/zinc/65/36/51/637653651.db2.gz MUQUPJSQOKYMNO-UHFFFAOYSA-N 1 2 248.330 1.326 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)CSC)C(=O)OC ZINC000905761226 637916650 /nfs/dbraw/zinc/91/66/50/637916650.db2.gz NBHKQYVOXJNNIC-RKDXNWHRSA-N 1 2 217.334 1.445 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H]1CCCS1)C(=O)OC ZINC000905766047 637920556 /nfs/dbraw/zinc/92/05/56/637920556.db2.gz GWJPFDRFBCWECX-VHSXEESVSA-N 1 2 229.345 1.589 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H]1CCCS1)C(=O)OC ZINC000905766049 637920588 /nfs/dbraw/zinc/92/05/88/637920588.db2.gz GWJPFDRFBCWECX-ZJUUUORDSA-N 1 2 229.345 1.589 20 30 BDEDLO C=C1CCC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000908759315 639062841 /nfs/dbraw/zinc/06/28/41/639062841.db2.gz DWCSRSWCYWGHFT-GFCCVEGCSA-N 1 2 245.326 1.670 20 30 BDEDLO 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C=CC[N@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000917481559 642065682 /nfs/dbraw/zinc/06/56/82/642065682.db2.gz OIQCXEBGWZYBAG-UHFFFAOYSA-N 1 2 224.264 1.645 20 30 BDEDLO C=CC[N@@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000917481559 642065689 /nfs/dbraw/zinc/06/56/89/642065689.db2.gz OIQCXEBGWZYBAG-UHFFFAOYSA-N 1 2 224.264 1.645 20 30 BDEDLO CC[N@@H+](Cc1ccc(N)nc1)C[C@@H](C)C#N ZINC000050817208 642336590 /nfs/dbraw/zinc/33/65/90/642336590.db2.gz COXFJXYPRDSPGK-JTQLQIEISA-N 1 2 218.304 1.645 20 30 BDEDLO CC[N@H+](Cc1ccc(N)nc1)C[C@@H](C)C#N ZINC000050817208 642336597 /nfs/dbraw/zinc/33/65/97/642336597.db2.gz COXFJXYPRDSPGK-JTQLQIEISA-N 1 2 218.304 1.645 20 30 BDEDLO C#CCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000920415731 642490786 /nfs/dbraw/zinc/49/07/86/642490786.db2.gz FZHLGDYDPPSUIA-UHFFFAOYSA-N 1 2 234.368 1.889 20 30 BDEDLO C#CC[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000068990683 642817258 /nfs/dbraw/zinc/81/72/58/642817258.db2.gz JGZIAWUNOWLVGV-SNVBAGLBSA-N 1 2 218.304 1.288 20 30 BDEDLO 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BDEDLO CC1(CC/[NH+]=C/c2ccccc2O)OCCO1 ZINC000183620198 643149672 /nfs/dbraw/zinc/14/96/72/643149672.db2.gz NTIRAIPWOXAKGC-GXDHUFHOSA-N 1 2 235.283 1.964 20 30 BDEDLO C#C[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185962558 643416474 /nfs/dbraw/zinc/41/64/74/643416474.db2.gz IYWFEZRIPHJHFN-SNVBAGLBSA-N 1 2 242.282 1.155 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001032334049 643520505 /nfs/dbraw/zinc/52/05/05/643520505.db2.gz XFICRSVNDOSWKF-STQMWFEESA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001032334049 643520517 /nfs/dbraw/zinc/52/05/17/643520517.db2.gz XFICRSVNDOSWKF-STQMWFEESA-N 1 2 232.327 1.095 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C ZINC001032337565 643527325 /nfs/dbraw/zinc/52/73/25/643527325.db2.gz IKPSBKXXSLAOMQ-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C ZINC001032337565 643527334 /nfs/dbraw/zinc/52/73/34/643527334.db2.gz IKPSBKXXSLAOMQ-QWRGUYRKSA-N 1 2 247.298 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C[C@H]1COCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000828093866 645097230 /nfs/dbraw/zinc/09/72/30/645097230.db2.gz CUQGNBINAIGYPA-LLVKDONJSA-N 1 2 231.299 1.422 20 30 BDEDLO C#CC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000830351895 645121604 /nfs/dbraw/zinc/12/16/04/645121604.db2.gz XBJQUDPZCKAYHJ-UHFFFAOYSA-N 1 2 244.342 1.538 20 30 BDEDLO CC[C@H]([NH2+]C[C@@H](C)O)c1cccc(C#N)c1O ZINC000924528403 646048936 /nfs/dbraw/zinc/04/89/36/646048936.db2.gz NEALVWXFZNESFR-SKDRFNHKSA-N 1 2 234.299 1.685 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cn(C)cn1)[C@@H]1CCCO1 ZINC000926208799 646595933 /nfs/dbraw/zinc/59/59/33/646595933.db2.gz AEQCDVWERHDGLH-GVXVVHGQSA-N 1 2 233.315 1.252 20 30 BDEDLO C=CC[N@@H+](C)Cn1ccc(Br)n1 ZINC000388490179 711885259 /nfs/dbraw/zinc/88/52/59/711885259.db2.gz GKEULSPVPRNKQC-UHFFFAOYSA-N 1 2 230.109 1.721 20 30 BDEDLO C=CC[N@H+](C)Cn1ccc(Br)n1 ZINC000388490179 711885260 /nfs/dbraw/zinc/88/52/60/711885260.db2.gz GKEULSPVPRNKQC-UHFFFAOYSA-N 1 2 230.109 1.721 20 30 BDEDLO C=C(C)CN(C)C(=O)NCc1c[nH+]cn1C ZINC000358142325 711953063 /nfs/dbraw/zinc/95/30/63/711953063.db2.gz QVGCWDILIUPKIF-UHFFFAOYSA-N 1 2 222.292 1.138 20 30 BDEDLO COCCO[NH+]=C1CCCc2nc(N)sc21 ZINC000378847756 712366325 /nfs/dbraw/zinc/36/63/25/712366325.db2.gz BCRVJMUCYVANEC-UHFFFAOYSA-N 1 2 241.316 1.259 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCc2ccns2)C1 ZINC000719869501 712824758 /nfs/dbraw/zinc/82/47/58/712824758.db2.gz XPYVLNNDQVRGSY-LLVKDONJSA-N 1 2 221.329 1.921 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCc2ccns2)C1 ZINC000719869501 712824759 /nfs/dbraw/zinc/82/47/59/712824759.db2.gz XPYVLNNDQVRGSY-LLVKDONJSA-N 1 2 221.329 1.921 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001038019345 712898552 /nfs/dbraw/zinc/89/85/52/712898552.db2.gz DPHRICSVEBGJDH-AWEZNQCLSA-N 1 2 242.322 1.432 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001038019345 712898553 /nfs/dbraw/zinc/89/85/53/712898553.db2.gz DPHRICSVEBGJDH-AWEZNQCLSA-N 1 2 242.322 1.432 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038495661 710688740 /nfs/dbraw/zinc/68/87/40/710688740.db2.gz IYDZTTJBXHWLAV-YNEHKIRRSA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038495661 710688743 /nfs/dbraw/zinc/68/87/43/710688743.db2.gz IYDZTTJBXHWLAV-YNEHKIRRSA-N 1 2 248.370 1.492 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC2)C1 ZINC001042395381 710779760 /nfs/dbraw/zinc/77/97/60/710779760.db2.gz BKWJFBCUMXMXOO-UHFFFAOYSA-N 1 2 208.305 1.115 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc(C)c2)C1 ZINC001042440225 710783195 /nfs/dbraw/zinc/78/31/95/710783195.db2.gz IXVKVVRJVNIUAE-UHFFFAOYSA-N 1 2 244.338 1.937 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC001043983579 710816115 /nfs/dbraw/zinc/81/61/15/710816115.db2.gz ZCWBMWIIMZYSDR-ZDUSSCGKSA-N 1 2 248.370 1.895 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC001044003235 710817105 /nfs/dbraw/zinc/81/71/05/710817105.db2.gz RXWSQSUMDRAGAR-NEPJUHHUSA-N 1 2 236.359 1.751 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001044032583 710818231 /nfs/dbraw/zinc/81/82/31/710818231.db2.gz WKHTWFQZYGXGJJ-UONOGXRCSA-N 1 2 248.370 1.751 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CC2)C1 ZINC001046093462 710847080 /nfs/dbraw/zinc/84/70/80/710847080.db2.gz YUMCYYBRONBHPG-LBPRGKRZSA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CC2)C1 ZINC001046093462 710847085 /nfs/dbraw/zinc/84/70/85/710847085.db2.gz YUMCYYBRONBHPG-LBPRGKRZSA-N 1 2 242.750 1.730 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038148262 710674856 /nfs/dbraw/zinc/67/48/56/710674856.db2.gz CCGZUNGQZNMIDT-GFCCVEGCSA-N 1 2 248.326 1.887 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038148262 710674862 /nfs/dbraw/zinc/67/48/62/710674862.db2.gz CCGZUNGQZNMIDT-GFCCVEGCSA-N 1 2 248.326 1.887 20 30 BDEDLO C[C@H]1C[N@H+](CCNc2cccnc2C#N)CCO1 ZINC000516693716 711768645 /nfs/dbraw/zinc/76/86/45/711768645.db2.gz 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TXLIOCRENXHTPO-PSASIEDQSA-N 1 2 203.232 1.364 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079335263 712346674 /nfs/dbraw/zinc/34/66/74/712346674.db2.gz SBCIYXBXNYIRNQ-LDYMZIIASA-N 1 2 242.750 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079335263 712346675 /nfs/dbraw/zinc/34/66/75/712346675.db2.gz SBCIYXBXNYIRNQ-LDYMZIIASA-N 1 2 242.750 1.585 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)CC(C)(C)COC ZINC000712605794 712436724 /nfs/dbraw/zinc/43/67/24/712436724.db2.gz IGMNYRALSYQCHC-UHFFFAOYSA-N 1 2 243.347 1.710 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)CC(C)(C)COC ZINC000712605794 712436726 /nfs/dbraw/zinc/43/67/26/712436726.db2.gz IGMNYRALSYQCHC-UHFFFAOYSA-N 1 2 243.347 1.710 20 30 BDEDLO N#CCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000848865978 712610228 /nfs/dbraw/zinc/61/02/28/712610228.db2.gz FFUPYBKCDXNLAC-UHFFFAOYSA-N 1 2 233.271 1.791 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000930447697 712712584 /nfs/dbraw/zinc/71/25/84/712712584.db2.gz FOUWLTXPOJBJAA-ZYHUDNBSSA-N 1 2 234.303 1.211 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000930447697 712712585 /nfs/dbraw/zinc/71/25/85/712712585.db2.gz FOUWLTXPOJBJAA-ZYHUDNBSSA-N 1 2 234.303 1.211 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C)c1snnc1C ZINC000930589850 712713175 /nfs/dbraw/zinc/71/31/75/712713175.db2.gz OMGQYQOXYMSDOQ-SECBINFHSA-N 1 2 209.318 1.863 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C)c1snnc1C ZINC000930589850 712713177 /nfs/dbraw/zinc/71/31/77/712713177.db2.gz OMGQYQOXYMSDOQ-SECBINFHSA-N 1 2 209.318 1.863 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000693038345 957528071 /nfs/dbraw/zinc/52/80/71/957528071.db2.gz OVWLXNPLMZNLQF-QWHCGFSZSA-N 1 2 238.331 1.418 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000693038345 957528079 /nfs/dbraw/zinc/52/80/79/957528079.db2.gz OVWLXNPLMZNLQF-QWHCGFSZSA-N 1 2 238.331 1.418 20 30 BDEDLO C=C1CCC(CNC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000724710753 959231108 /nfs/dbraw/zinc/23/11/08/959231108.db2.gz HTFBGBVODYZPTL-JTQLQIEISA-N 1 2 246.301 1.832 20 30 BDEDLO CCCCN(CCC#N)Cc1c[nH+]cn1C ZINC001204384017 963530368 /nfs/dbraw/zinc/53/03/68/963530368.db2.gz ODAMRKWHULTUIE-UHFFFAOYSA-N 1 2 220.320 1.936 20 30 BDEDLO C=C[C@@](C)(O)CNc1cccc2[nH+]c[nH]c21 ZINC001252562698 968812013 /nfs/dbraw/zinc/81/20/13/968812013.db2.gz WIXKCYQEKJELMR-GFCCVEGCSA-N 1 2 217.272 1.912 20 30 BDEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC(=O)C2)CC1 ZINC001208170867 969102827 /nfs/dbraw/zinc/10/28/27/969102827.db2.gz UYXNMIIFMMSASM-CYBMUJFWSA-N 1 2 234.343 1.721 20 30 BDEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC(=O)C2)CC1 ZINC001208170867 969102839 /nfs/dbraw/zinc/10/28/39/969102839.db2.gz UYXNMIIFMMSASM-CYBMUJFWSA-N 1 2 234.343 1.721 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001253607698 969303671 /nfs/dbraw/zinc/30/36/71/969303671.db2.gz CYSDGXHTVZVSHF-GARJFASQSA-N 1 2 229.320 1.101 20 30 BDEDLO CC[C@@H](CC#N)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001255166575 969980260 /nfs/dbraw/zinc/98/02/60/969980260.db2.gz LTSWHZGJSAQMPS-NSHDSACASA-N 1 2 236.315 1.503 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001332435584 975119735 /nfs/dbraw/zinc/11/97/35/975119735.db2.gz XXUOYDMCJYRIBF-IVZWLZJFSA-N 1 2 222.292 1.075 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OCC ZINC001333001445 975360152 /nfs/dbraw/zinc/36/01/52/975360152.db2.gz VTVUSRXRLWHPJQ-NEPJUHHUSA-N 1 2 241.331 1.509 20 30 BDEDLO Cc1nnc(CC[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC001334771133 976637319 /nfs/dbraw/zinc/63/73/19/976637319.db2.gz WKOKDAGUYBCJHW-GFCCVEGCSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1nnc(CC[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC001334771133 976637323 /nfs/dbraw/zinc/63/73/23/976637323.db2.gz WKOKDAGUYBCJHW-GFCCVEGCSA-N 1 2 234.303 1.546 20 30 BDEDLO C=C(C)CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001335784994 977286739 /nfs/dbraw/zinc/28/67/39/977286739.db2.gz HHSKWWCOMVULCG-GFCCVEGCSA-N 1 2 235.331 1.992 20 30 BDEDLO CC[N@H+](Cc1cccc(C#N)n1)C1CN(C)C1 ZINC001232926421 978338558 /nfs/dbraw/zinc/33/85/58/978338558.db2.gz ODVCJYVYFDRJCA-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO CC[N@@H+](Cc1cccc(C#N)n1)C1CN(C)C1 ZINC001232926421 978338571 /nfs/dbraw/zinc/33/85/71/978338571.db2.gz ODVCJYVYFDRJCA-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)C(=O)OC ZINC001256726090 970948412 /nfs/dbraw/zinc/94/84/12/970948412.db2.gz PXEBIYOQYSLRNC-DGCLKSJQSA-N 1 2 248.326 1.720 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404072058 971119991 /nfs/dbraw/zinc/11/99/91/971119991.db2.gz VAHIRJUVYZOPAI-MRVPVSSYSA-N 1 2 225.666 1.688 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404072058 971119997 /nfs/dbraw/zinc/11/99/97/971119997.db2.gz VAHIRJUVYZOPAI-MRVPVSSYSA-N 1 2 225.666 1.688 20 30 BDEDLO CN(C)c1ccc(NCCCS)[nH+]c1 ZINC001171002635 972227734 /nfs/dbraw/zinc/22/77/34/972227734.db2.gz VVURZZZRFZBEMG-UHFFFAOYSA-N 1 2 211.334 1.879 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000089945172 957159206 /nfs/dbraw/zinc/15/92/06/957159206.db2.gz JMFAYTQFHDBSAC-UHFFFAOYSA-N 1 2 239.322 1.309 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001167211427 957545764 /nfs/dbraw/zinc/54/57/64/957545764.db2.gz AJAYLPQCSFLNPJ-OLZOCXBDSA-N 1 2 243.310 1.763 20 30 BDEDLO COc1cc(Nc2c(C#N)cnn2C)cc(C)[nH+]1 ZINC001210776161 957873766 /nfs/dbraw/zinc/87/37/66/957873766.db2.gz NMNNIAMXPPODNB-UHFFFAOYSA-N 1 2 243.270 1.747 20 30 BDEDLO Cc1cccn2c(CN(C)[C@@H](C)C#N)c[nH+]c12 ZINC001136966295 972307207 /nfs/dbraw/zinc/30/72/07/972307207.db2.gz YGKINEZBLZAUQO-NSHDSACASA-N 1 2 228.299 1.987 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001038139817 958895907 /nfs/dbraw/zinc/89/59/07/958895907.db2.gz DWTYCGUOXBMIKV-LLVKDONJSA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001038139817 958895909 /nfs/dbraw/zinc/89/59/09/958895909.db2.gz DWTYCGUOXBMIKV-LLVKDONJSA-N 1 2 249.314 1.282 20 30 BDEDLO Cc1cn2cc(NC(=O)[C@@H]3C[C@@H]3C#N)ccc2[nH+]1 ZINC001125613465 958997126 /nfs/dbraw/zinc/99/71/26/958997126.db2.gz IWRMYDBGANQHLO-MWLCHTKSSA-N 1 2 240.266 1.741 20 30 BDEDLO Cc1[nH]c(C#N)cc1C(=O)OCCn1cc[nH+]c1 ZINC000835348863 959154071 /nfs/dbraw/zinc/15/40/71/959154071.db2.gz DDCJPRZSCHKASX-UHFFFAOYSA-N 1 2 244.254 1.248 20 30 BDEDLO C=CCN(CC=C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724699456 959285639 /nfs/dbraw/zinc/28/56/39/959285639.db2.gz IYYQESRYYREWPZ-MRVPVSSYSA-N 1 2 218.247 1.170 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001327126001 972425743 /nfs/dbraw/zinc/42/57/43/972425743.db2.gz BHWJAZHUGWBFBA-RYUDHWBXSA-N 1 2 231.299 1.316 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000309028274 959560234 /nfs/dbraw/zinc/56/02/34/959560234.db2.gz CBIYRABOFGCKGF-NXEZZACHSA-N 1 2 229.345 1.589 20 30 BDEDLO C#Cc1cc(Nc2ccc(N)c(C#N)c2)cc[nH+]1 ZINC001213427137 959957644 /nfs/dbraw/zinc/95/76/44/959957644.db2.gz PCLFLSZXAQSCHO-UHFFFAOYSA-N 1 2 234.262 1.682 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CCCOC(C)C)C1 ZINC001267672661 960189922 /nfs/dbraw/zinc/18/99/22/960189922.db2.gz HRRUVVXJHYESTR-UHFFFAOYSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C(C)CCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001353724799 960449121 /nfs/dbraw/zinc/44/91/21/960449121.db2.gz AAQDTPDWQLBWBM-LLVKDONJSA-N 1 2 233.315 1.670 20 30 BDEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)[nH]n1 ZINC001203066807 960593437 /nfs/dbraw/zinc/59/34/37/960593437.db2.gz HRIQNDWEQDXTCC-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO C=CC[NH+]1CCN(Cc2cc(C)[nH]n2)CC1 ZINC001203075325 960667427 /nfs/dbraw/zinc/66/74/27/960667427.db2.gz DLOMBZXYXHMFFH-UHFFFAOYSA-N 1 2 220.320 1.022 20 30 BDEDLO N#C[C@@H]1CCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141046435 960834795 /nfs/dbraw/zinc/83/47/95/960834795.db2.gz ZTTRIWUQZHIWJH-LBPRGKRZSA-N 1 2 226.283 1.680 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NC1C[NH+](CCCF)C1 ZINC001481580894 961253080 /nfs/dbraw/zinc/25/30/80/961253080.db2.gz HFQBTRASUNLXDV-ZDUSSCGKSA-N 1 2 242.338 1.749 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)[C@H](C)CC)C1 ZINC001481590552 961282652 /nfs/dbraw/zinc/28/26/52/961282652.db2.gz DLNPWLJYOAWFSG-NEPJUHHUSA-N 1 2 236.359 1.492 20 30 BDEDLO CCN(C(=O)C#Cc1ccccc1)C1C[NH+](C)C1 ZINC001142860201 961807277 /nfs/dbraw/zinc/80/72/77/961807277.db2.gz TUWQGKWJMUFKDV-UHFFFAOYSA-N 1 2 242.322 1.201 20 30 BDEDLO N#C[C@@H]1COCCN1Cc1cccn2cc[nH+]c12 ZINC001142959874 961858211 /nfs/dbraw/zinc/85/82/11/961858211.db2.gz DDFHTVHDCGIGAW-GFCCVEGCSA-N 1 2 242.282 1.059 20 30 BDEDLO Cc1ccc(CN2CC(C)(C#N)C2)c(N)[nH+]1 ZINC001143194645 961929107 /nfs/dbraw/zinc/92/91/07/961929107.db2.gz GOWMOKLTETZZQZ-UHFFFAOYSA-N 1 2 216.288 1.318 20 30 BDEDLO N#CCC1C[NH+](Cc2cc3cccnc3[nH]2)C1 ZINC001143211887 961954173 /nfs/dbraw/zinc/95/41/73/961954173.db2.gz KLSRMEULULNXPQ-UHFFFAOYSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC001203137964 962038072 /nfs/dbraw/zinc/03/80/72/962038072.db2.gz QZASDNPNCAQMJX-JTQLQIEISA-N 1 2 242.282 1.958 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC001203137964 962038085 /nfs/dbraw/zinc/03/80/85/962038085.db2.gz QZASDNPNCAQMJX-JTQLQIEISA-N 1 2 242.282 1.958 20 30 BDEDLO C=CCCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150700998 962203199 /nfs/dbraw/zinc/20/31/99/962203199.db2.gz GCTTYTLDZBPKBW-UHFFFAOYSA-N 1 2 231.299 1.515 20 30 BDEDLO CSc1cnc(N2CC[NH2+]C[C@@H]2C#N)c(C)c1 ZINC001156327895 963316439 /nfs/dbraw/zinc/31/64/39/963316439.db2.gz QXTAAAJWOMRXSI-JTQLQIEISA-N 1 2 248.355 1.414 20 30 BDEDLO Cn1cccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896505930 963468911 /nfs/dbraw/zinc/46/89/11/963468911.db2.gz QBTVBBNDJRFLEG-NSHDSACASA-N 1 2 203.289 1.761 20 30 BDEDLO Cn1cccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896505930 963468919 /nfs/dbraw/zinc/46/89/19/963468919.db2.gz QBTVBBNDJRFLEG-NSHDSACASA-N 1 2 203.289 1.761 20 30 BDEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)nn1C ZINC001156954529 963498274 /nfs/dbraw/zinc/49/82/74/963498274.db2.gz WOKUPHDHVFTHGB-UHFFFAOYSA-N 1 2 241.298 1.802 20 30 BDEDLO CCN(c1ncc(C#N)cc1F)C1C[NH+](C)C1 ZINC001157455833 963614982 /nfs/dbraw/zinc/61/49/82/963614982.db2.gz DPJAWWQIETWICM-UHFFFAOYSA-N 1 2 234.278 1.233 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000693038344 963937856 /nfs/dbraw/zinc/93/78/56/963937856.db2.gz OVWLXNPLMZNLQF-OLZOCXBDSA-N 1 2 238.331 1.418 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000693038344 963937861 /nfs/dbraw/zinc/93/78/61/963937861.db2.gz OVWLXNPLMZNLQF-OLZOCXBDSA-N 1 2 238.331 1.418 20 30 BDEDLO Cn1cc(Nc2cccc3[nH+]c[nH]c32)c(C#N)n1 ZINC001213029375 964515432 /nfs/dbraw/zinc/51/54/32/964515432.db2.gz LGVJQGZMFHNFPG-UHFFFAOYSA-N 1 2 238.254 1.912 20 30 BDEDLO COC1CC(CNc2cc(CC#N)cc[nH+]2)C1 ZINC001162991643 965220528 /nfs/dbraw/zinc/22/05/28/965220528.db2.gz OBQPNHRKKGWCOV-UHFFFAOYSA-N 1 2 231.299 1.985 20 30 BDEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2O)CCO1 ZINC001232673569 965395350 /nfs/dbraw/zinc/39/53/50/965395350.db2.gz JHHIEBOJDPWSSX-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2O)CCO1 ZINC001232673569 965395359 /nfs/dbraw/zinc/39/53/59/965395359.db2.gz JHHIEBOJDPWSSX-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO C[C@@H]1CN(c2cc(CC#N)cc[nH+]2)CCC[C@@H]1O ZINC001164226348 965806028 /nfs/dbraw/zinc/80/60/28/965806028.db2.gz DJSLTUPRCQOINT-YPMHNXCESA-N 1 2 245.326 1.745 20 30 BDEDLO CC[NH+]1CC(Oc2c(C)cc(C#N)cc2OC)C1 ZINC001234862461 965899020 /nfs/dbraw/zinc/89/90/20/965899020.db2.gz IXLPSNHOLRECPB-UHFFFAOYSA-N 1 2 246.310 1.958 20 30 BDEDLO COc1cncc(C[NH2+]CC2(C#N)CC2)c1 ZINC000699802584 966092411 /nfs/dbraw/zinc/09/24/11/966092411.db2.gz GVOCORVMYFGESH-UHFFFAOYSA-N 1 2 217.272 1.484 20 30 BDEDLO C#Cc1cc(Nc2cc[nH]c(=O)c2)cc[nH+]1 ZINC001212265631 966379985 /nfs/dbraw/zinc/37/99/85/966379985.db2.gz USDFQFFUCLGWDK-UHFFFAOYSA-N 1 2 211.224 1.329 20 30 BDEDLO C#Cc1cnc(Nc2ccc(NC)[nH+]c2)c(C#C)n1 ZINC001203450087 966658976 /nfs/dbraw/zinc/65/89/76/966658976.db2.gz SDLXVJZGRHAHQM-UHFFFAOYSA-N 1 2 249.277 1.620 20 30 BDEDLO C[C@@H]1CC(=O)C=C(CC[NH+]2CCOCC2)C1 ZINC001250277324 967606868 /nfs/dbraw/zinc/60/68/68/967606868.db2.gz DCICWMWMZKLOSS-NSHDSACASA-N 1 2 223.316 1.634 20 30 BDEDLO C#Cc1cc(Nc2cnn3cccnc23)cc[nH+]1 ZINC001205945538 967897354 /nfs/dbraw/zinc/89/73/54/967897354.db2.gz FOPXSOWEETWXCX-UHFFFAOYSA-N 1 2 235.250 1.271 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1cc(CO)on1 ZINC001119700549 968456334 /nfs/dbraw/zinc/45/63/34/968456334.db2.gz HUODVWPCSQMPHQ-DTWKUNHWSA-N 1 2 226.276 1.019 20 30 BDEDLO C#C[C@@H](CO)[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC001206837504 968493328 /nfs/dbraw/zinc/49/33/28/968493328.db2.gz FPNWOLCRDUIJND-QMMMGPOBSA-N 1 2 239.706 1.024 20 30 BDEDLO Cn1cc(C[N@@H+]2CCCC(=O)CC2)cc1C#N ZINC001207103964 968634797 /nfs/dbraw/zinc/63/47/97/968634797.db2.gz DNNQMLTZFXDNLU-UHFFFAOYSA-N 1 2 231.299 1.452 20 30 BDEDLO Cn1cc(C[N@H+]2CCCC(=O)CC2)cc1C#N ZINC001207103964 968634802 /nfs/dbraw/zinc/63/48/02/968634802.db2.gz DNNQMLTZFXDNLU-UHFFFAOYSA-N 1 2 231.299 1.452 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001085476251 968754219 /nfs/dbraw/zinc/75/42/19/968754219.db2.gz VSRFUJCPCFRJOE-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001085476251 968754231 /nfs/dbraw/zinc/75/42/31/968754231.db2.gz VSRFUJCPCFRJOE-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252574055 968824866 /nfs/dbraw/zinc/82/48/66/968824866.db2.gz LEHOAZUADBCPIP-JQWIXIFHSA-N 1 2 229.320 1.101 20 30 BDEDLO C=C[C@H](O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001253567935 969241203 /nfs/dbraw/zinc/24/12/03/969241203.db2.gz WHFOPTPKWWEMDK-LSDHHAIUSA-N 1 2 246.354 1.522 20 30 BDEDLO C=C[C@H](O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001253567935 969241213 /nfs/dbraw/zinc/24/12/13/969241213.db2.gz WHFOPTPKWWEMDK-LSDHHAIUSA-N 1 2 246.354 1.522 20 30 BDEDLO C=C[C@@H](O)CNc1[nH+]cccc1OCC ZINC001253569392 969243568 /nfs/dbraw/zinc/24/35/68/969243568.db2.gz YANSMPNPHBHJMP-SECBINFHSA-N 1 2 208.261 1.439 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001253586541 969266632 /nfs/dbraw/zinc/26/66/32/969266632.db2.gz OVLTXYGMARYOST-LLVKDONJSA-N 1 2 238.718 1.640 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001253586541 969266644 /nfs/dbraw/zinc/26/66/44/969266644.db2.gz OVLTXYGMARYOST-LLVKDONJSA-N 1 2 238.718 1.640 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001253597810 969288500 /nfs/dbraw/zinc/28/85/00/969288500.db2.gz JNODGZKWDYGPNE-WDEREUQCSA-N 1 2 243.347 1.489 20 30 BDEDLO C=C[C@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC001253600380 969294353 /nfs/dbraw/zinc/29/43/53/969294353.db2.gz CCXOGDJXTGCWLC-VIFPVBQESA-N 1 2 217.272 1.199 20 30 BDEDLO C=CCCC[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001209157302 969362612 /nfs/dbraw/zinc/36/26/12/969362612.db2.gz SDUDRVRJDJPHQR-ZJUUUORDSA-N 1 2 215.268 1.538 20 30 BDEDLO C=CCCC[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001209157302 969362620 /nfs/dbraw/zinc/36/26/20/969362620.db2.gz SDUDRVRJDJPHQR-ZJUUUORDSA-N 1 2 215.268 1.538 20 30 BDEDLO Cc1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1C ZINC001156319717 969635294 /nfs/dbraw/zinc/63/52/94/969635294.db2.gz BRVUKLDJZHPVJH-NSHDSACASA-N 1 2 216.288 1.000 20 30 BDEDLO Cc1nc(N2CC[NH2+]C[C@@H]2C#N)ccc1Cl ZINC001156320126 969638391 /nfs/dbraw/zinc/63/83/91/969638391.db2.gz RKTRSRJRSYGJAY-VIFPVBQESA-N 1 2 236.706 1.345 20 30 BDEDLO Cn1c[nH+]c(NC=CC(=O)C(F)(F)F)c1 ZINC001169476163 969671654 /nfs/dbraw/zinc/67/16/54/969671654.db2.gz YTFYPUORRYNOOE-NSCUHMNNSA-N 1 2 219.166 1.477 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC001254636303 969754523 /nfs/dbraw/zinc/75/45/23/969754523.db2.gz JWGMQPYJZQGBAH-QCNOEVLYSA-N 1 2 238.331 1.856 20 30 BDEDLO C#C[C@](C)(CC)Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001169689539 969811186 /nfs/dbraw/zinc/81/11/86/969811186.db2.gz KRKMNXWZNBRWGI-CYBMUJFWSA-N 1 2 245.282 1.626 20 30 BDEDLO C#C[C@H](CCC)OCC[NH+]1CCOCC1 ZINC001210207420 969818735 /nfs/dbraw/zinc/81/87/35/969818735.db2.gz OOFQWGMUUUDVRC-GFCCVEGCSA-N 1 2 211.305 1.137 20 30 BDEDLO N#C[C@H]1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001210192374 969825759 /nfs/dbraw/zinc/82/57/59/969825759.db2.gz PLXYUNYRMKDCOU-NWDGAFQWSA-N 1 2 224.304 1.027 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1cccnc1 ZINC001255163189 969973373 /nfs/dbraw/zinc/97/33/73/969973373.db2.gz CSZVFZMQXGDDLE-RYUDHWBXSA-N 1 2 219.288 1.397 20 30 BDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H](CC)CC#N ZINC001255177040 969993269 /nfs/dbraw/zinc/99/32/69/969993269.db2.gz LGPOXNXFPSHQBR-QWRGUYRKSA-N 1 2 223.320 1.279 20 30 BDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](CC)CC#N ZINC001255177040 969993277 /nfs/dbraw/zinc/99/32/77/969993277.db2.gz LGPOXNXFPSHQBR-QWRGUYRKSA-N 1 2 223.320 1.279 20 30 BDEDLO COC1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001255457101 970187580 /nfs/dbraw/zinc/18/75/80/970187580.db2.gz OMDUAVZOFONRRL-UHFFFAOYSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CCCCNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001170298990 970678749 /nfs/dbraw/zinc/67/87/49/970678749.db2.gz WWVDUZOGHPWXGD-UHFFFAOYSA-N 1 2 245.326 1.977 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CCC(C)C ZINC001256352782 970747799 /nfs/dbraw/zinc/74/77/99/970747799.db2.gz KRENOJWQJBOZDD-UWVGGRQHSA-N 1 2 233.377 1.872 20 30 BDEDLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171181922 972813910 /nfs/dbraw/zinc/81/39/10/972813910.db2.gz RCAGSGHETNWYEY-QWRGUYRKSA-N 1 2 246.310 1.640 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2COC)cc1 ZINC001144579101 972870827 /nfs/dbraw/zinc/87/08/27/972870827.db2.gz YLQUDVGOFQMZDG-HNNXBMFYSA-N 1 2 245.322 1.515 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2COC)cc1 ZINC001144579101 972870828 /nfs/dbraw/zinc/87/08/28/972870828.db2.gz YLQUDVGOFQMZDG-HNNXBMFYSA-N 1 2 245.322 1.515 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC#CC ZINC001276899632 973163904 /nfs/dbraw/zinc/16/39/04/973163904.db2.gz OPWDLJBGTCVUQQ-ZDUSSCGKSA-N 1 2 248.370 1.803 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CC ZINC001276899632 973163917 /nfs/dbraw/zinc/16/39/17/973163917.db2.gz OPWDLJBGTCVUQQ-ZDUSSCGKSA-N 1 2 248.370 1.803 20 30 BDEDLO C=CCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224334622 973561634 /nfs/dbraw/zinc/56/16/34/973561634.db2.gz BDEWPWKKSKTJHB-NEPJUHHUSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224334622 973561651 /nfs/dbraw/zinc/56/16/51/973561651.db2.gz BDEWPWKKSKTJHB-NEPJUHHUSA-N 1 2 241.331 1.605 20 30 BDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc2cc[nH]c2c[nH+]1 ZINC001171364013 973959311 /nfs/dbraw/zinc/95/93/11/973959311.db2.gz SHVLTRDTQUGAEH-CPCISQLKSA-N 1 2 246.270 1.211 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172165464 974427044 /nfs/dbraw/zinc/42/70/44/974427044.db2.gz JGTVYWQSAWWRCI-TUAOUCFPSA-N 1 2 233.315 1.128 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172165464 974427049 /nfs/dbraw/zinc/42/70/49/974427049.db2.gz JGTVYWQSAWWRCI-TUAOUCFPSA-N 1 2 233.315 1.128 20 30 BDEDLO CC[C@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220133 974452616 /nfs/dbraw/zinc/45/26/16/974452616.db2.gz DDNGPVYYDIBOEC-FGNRJIRKSA-N 1 2 208.305 1.978 20 30 BDEDLO CC[C@@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220134 974453493 /nfs/dbraw/zinc/45/34/93/974453493.db2.gz DDNGPVYYDIBOEC-YATPEIPISA-N 1 2 208.305 1.978 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)CCOC(C)C)C(=O)OC ZINC001172436927 974792462 /nfs/dbraw/zinc/79/24/62/974792462.db2.gz XKLRUBXEPNFRRM-NEPJUHHUSA-N 1 2 243.347 1.897 20 30 BDEDLO C[C@H](CCCC#N)[N@@H+]1Cc2cncnc2C1 ZINC001172494045 974842799 /nfs/dbraw/zinc/84/27/99/974842799.db2.gz QESUHTPXCTXGTA-SNVBAGLBSA-N 1 2 216.288 1.875 20 30 BDEDLO C[C@H](CCCC#N)[N@H+]1Cc2cncnc2C1 ZINC001172494045 974842802 /nfs/dbraw/zinc/84/28/02/974842802.db2.gz QESUHTPXCTXGTA-SNVBAGLBSA-N 1 2 216.288 1.875 20 30 BDEDLO CO[C@H]1CCC[C@@H]([NH+]2CC(C)(C#N)C2)C1 ZINC001172932431 974987991 /nfs/dbraw/zinc/98/79/91/974987991.db2.gz SEZWXSAPBKIXEN-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H]1CC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001173272313 975147303 /nfs/dbraw/zinc/14/73/03/975147303.db2.gz IFKOCWOBCKHBEO-GRYCIOLGSA-N 1 2 207.321 1.362 20 30 BDEDLO C=CCOC1CCC([NH+]2CC(C#N)C2)CC1 ZINC001173319695 975308307 /nfs/dbraw/zinc/30/83/07/975308307.db2.gz RRXNUFXZNUPWCC-UHFFFAOYSA-N 1 2 220.316 1.956 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173758255 975548765 /nfs/dbraw/zinc/54/87/65/975548765.db2.gz ZKSPHQZNLBBXNS-SRVKXCTJSA-N 1 2 246.318 1.145 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173758255 975548777 /nfs/dbraw/zinc/54/87/77/975548777.db2.gz ZKSPHQZNLBBXNS-SRVKXCTJSA-N 1 2 246.318 1.145 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001333627816 975909655 /nfs/dbraw/zinc/90/96/55/975909655.db2.gz MXQIOBAAVPXZFY-VIFPVBQESA-N 1 2 207.277 1.525 20 30 BDEDLO CC(=O)/C=C/c1ccc(OC2C[NH+](C)C2)cc1 ZINC001228492514 976257919 /nfs/dbraw/zinc/25/79/19/976257919.db2.gz ZZXHKCSESLLJFZ-ONEGZZNKSA-N 1 2 231.295 1.982 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001334060331 976259962 /nfs/dbraw/zinc/25/99/62/976259962.db2.gz PEUOIWGLVIMJSB-SNVBAGLBSA-N 1 2 233.315 1.864 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001335088482 976845620 /nfs/dbraw/zinc/84/56/20/976845620.db2.gz FFRKNUYRCMTUOP-RNFRBKRXSA-N 1 2 242.229 1.789 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001335372787 977008171 /nfs/dbraw/zinc/00/81/71/977008171.db2.gz FNUGVZJRUUAACO-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)nc1 ZINC001335896233 977353746 /nfs/dbraw/zinc/35/37/46/977353746.db2.gz DZLZFFXXKQDHJI-LBPRGKRZSA-N 1 2 228.299 1.923 20 30 BDEDLO CC#CC(=O)NCCCN(C)c1cccc[nH+]1 ZINC001175715703 977659436 /nfs/dbraw/zinc/65/94/36/977659436.db2.gz KNFZIJVYHKUWJG-UHFFFAOYSA-N 1 2 231.299 1.047 20 30 BDEDLO C#Cc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC001231654992 977668047 /nfs/dbraw/zinc/66/80/47/977668047.db2.gz JASUDKONSLGGFK-UHFFFAOYSA-N 1 2 242.322 1.332 20 30 BDEDLO Cc1[nH]c(CN2CC[C@H]3SC(=O)C=C3C2)c[nH+]1 ZINC001232458943 978084490 /nfs/dbraw/zinc/08/44/90/978084490.db2.gz DRUPQWBULOVZCW-LLVKDONJSA-N 1 2 249.339 1.492 20 30 BDEDLO Cc1[nH]cc(CN2CC[C@H]3SC(=O)C=C3C2)[nH+]1 ZINC001232458943 978084501 /nfs/dbraw/zinc/08/45/01/978084501.db2.gz DRUPQWBULOVZCW-LLVKDONJSA-N 1 2 249.339 1.492 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cncc3cnccc32)C1 ZINC001232651329 978209775 /nfs/dbraw/zinc/20/97/75/978209775.db2.gz DDYCLIPNIBPJPQ-NSHDSACASA-N 1 2 238.294 1.975 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cncc3cnccc32)C1 ZINC001232651329 978209783 /nfs/dbraw/zinc/20/97/83/978209783.db2.gz DDYCLIPNIBPJPQ-NSHDSACASA-N 1 2 238.294 1.975 20 30 BDEDLO CO[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674256 978230238 /nfs/dbraw/zinc/23/02/38/978230238.db2.gz UNQCGZPJCRUHLI-ZDUSSCGKSA-N 1 2 246.310 1.875 20 30 BDEDLO CO[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674256 978230245 /nfs/dbraw/zinc/23/02/45/978230245.db2.gz UNQCGZPJCRUHLI-ZDUSSCGKSA-N 1 2 246.310 1.875 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@H]1CCOC1 ZINC001232679889 978252115 /nfs/dbraw/zinc/25/21/15/978252115.db2.gz VDEZMNGHTHIHEB-LBPRGKRZSA-N 1 2 232.283 1.485 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@H]1CCOC1 ZINC001232679889 978252125 /nfs/dbraw/zinc/25/21/25/978252125.db2.gz VDEZMNGHTHIHEB-LBPRGKRZSA-N 1 2 232.283 1.485 20 30 BDEDLO CC1(CO)C[NH+](Cc2ccc(C#N)s2)C1 ZINC001232841883 978309077 /nfs/dbraw/zinc/30/90/77/978309077.db2.gz DSCYBYPEUHNCIG-UHFFFAOYSA-N 1 2 222.313 1.434 20 30 BDEDLO Cc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(C#N)c1 ZINC001232962628 978359957 /nfs/dbraw/zinc/35/99/57/978359957.db2.gz PIORCMMQFPMCCM-UHFFFAOYSA-N 1 2 242.322 1.823 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001233045128 978424143 /nfs/dbraw/zinc/42/41/43/978424143.db2.gz AUZKCEPKQOLQGG-CMPLNLGQSA-N 1 2 237.278 1.181 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001233045128 978424156 /nfs/dbraw/zinc/42/41/56/978424156.db2.gz AUZKCEPKQOLQGG-CMPLNLGQSA-N 1 2 237.278 1.181 20 30 BDEDLO CCO[C@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233044139 978427261 /nfs/dbraw/zinc/42/72/61/978427261.db2.gz KVUPOXWSEFUOKS-LBPRGKRZSA-N 1 2 233.315 1.887 20 30 BDEDLO CCO[C@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233044139 978427264 /nfs/dbraw/zinc/42/72/64/978427264.db2.gz KVUPOXWSEFUOKS-LBPRGKRZSA-N 1 2 233.315 1.887 20 30 BDEDLO CC(C)(S)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001177998221 978482030 /nfs/dbraw/zinc/48/20/30/978482030.db2.gz NFWBKSQBGLOVON-UHFFFAOYSA-N 1 2 227.333 1.167 20 30 BDEDLO N#Cc1ccnc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001177990387 978496118 /nfs/dbraw/zinc/49/61/18/978496118.db2.gz NASGKRDHMDVGAN-UHFFFAOYSA-N 1 2 241.254 1.248 20 30 BDEDLO Cc1[nH]c(CNc2ncccc2C#N)[nH+]c1C ZINC001337971802 978579468 /nfs/dbraw/zinc/57/94/68/978579468.db2.gz VTVJIGFOCDCSRW-UHFFFAOYSA-N 1 2 227.271 1.905 20 30 BDEDLO Cc1ncc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)o1 ZINC001338289907 978652238 /nfs/dbraw/zinc/65/22/38/978652238.db2.gz UQIXZGRRQSZPHX-GHMZBOCLSA-N 1 2 248.330 1.401 20 30 BDEDLO C#Cc1ccc(O[C@H](C)C[NH+]2CCOCC2)nc1 ZINC001233966663 978742947 /nfs/dbraw/zinc/74/29/47/978742947.db2.gz AUJYQDAOJLKIHC-GFCCVEGCSA-N 1 2 246.310 1.162 20 30 BDEDLO C=CCSCC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001180560955 978909442 /nfs/dbraw/zinc/90/94/42/978909442.db2.gz LXVBPPTYPPCSOF-UHFFFAOYSA-N 1 2 239.344 1.296 20 30 BDEDLO C#CC1CCN(C(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181255235 979038577 /nfs/dbraw/zinc/03/85/77/979038577.db2.gz JHDVYNOLGKBSLB-UHFFFAOYSA-N 1 2 243.310 1.078 20 30 BDEDLO N#CCc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001235525542 979060316 /nfs/dbraw/zinc/06/03/16/979060316.db2.gz NMKCZEIVDOVYTE-UONOGXRCSA-N 1 2 228.295 1.726 20 30 BDEDLO N#CCc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001235525542 979060324 /nfs/dbraw/zinc/06/03/24/979060324.db2.gz NMKCZEIVDOVYTE-UONOGXRCSA-N 1 2 228.295 1.726 20 30 BDEDLO C#CC[N@@H+](Cc1noc2c1COCC2)CC1CC1 ZINC001340679589 979060196 /nfs/dbraw/zinc/06/01/96/979060196.db2.gz RNPXQLYLSXANIH-UHFFFAOYSA-N 1 2 246.310 1.593 20 30 BDEDLO C#CC[N@H+](Cc1noc2c1COCC2)CC1CC1 ZINC001340679589 979060205 /nfs/dbraw/zinc/06/02/05/979060205.db2.gz RNPXQLYLSXANIH-UHFFFAOYSA-N 1 2 246.310 1.593 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001602835344 979285033 /nfs/dbraw/zinc/28/50/33/979285033.db2.gz OHUUXIWPUPUFKR-VXGBXAGGSA-N 1 2 249.314 1.549 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001602835344 979285041 /nfs/dbraw/zinc/28/50/41/979285041.db2.gz OHUUXIWPUPUFKR-VXGBXAGGSA-N 1 2 249.314 1.549 20 30 BDEDLO C[C@@H](C(=O)NC1C[NH+](C)C1)c1ccc(C#N)cc1 ZINC001182797141 979640241 /nfs/dbraw/zinc/64/02/41/979640241.db2.gz BWSKLTHKAGAVHH-SNVBAGLBSA-N 1 2 243.310 1.092 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(O)ccc2C)CC1 ZINC001238107061 980157262 /nfs/dbraw/zinc/15/72/62/980157262.db2.gz POPRGEOWKWREFG-UHFFFAOYSA-N 1 2 244.338 1.451 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2c(N)ccnc2F)CC1 ZINC001238160854 980189405 /nfs/dbraw/zinc/18/94/05/980189405.db2.gz WSHRXQUAEUXQDR-JTQLQIEISA-N 1 2 248.305 1.929 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2c(N)ccnc2F)CC1 ZINC001238160854 980189410 /nfs/dbraw/zinc/18/94/10/980189410.db2.gz WSHRXQUAEUXQDR-JTQLQIEISA-N 1 2 248.305 1.929 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cnccc2C)CC1 ZINC001188232241 980630808 /nfs/dbraw/zinc/63/08/08/980630808.db2.gz ZPWXRXKXKMYABD-UHFFFAOYSA-N 1 2 245.326 1.334 20 30 BDEDLO Cc1cccn2c(CN(C)CCC#N)c[nH+]c12 ZINC000157799900 981022099 /nfs/dbraw/zinc/02/20/99/981022099.db2.gz GJQYYVYVPAUYJE-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001348470220 981369575 /nfs/dbraw/zinc/36/95/75/981369575.db2.gz KHCOSNNCUVFLPI-CQSZACIVSA-N 1 2 244.338 1.905 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001348470220 981369578 /nfs/dbraw/zinc/36/95/78/981369578.db2.gz KHCOSNNCUVFLPI-CQSZACIVSA-N 1 2 244.338 1.905 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OCCCC)CC1 ZINC001193686274 981410056 /nfs/dbraw/zinc/41/00/56/981410056.db2.gz NMVASCNVSIBTJS-UHFFFAOYSA-N 1 2 226.320 1.727 20 30 BDEDLO C#CCCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001349020613 981497982 /nfs/dbraw/zinc/49/79/82/981497982.db2.gz HOEYRCQJKKWQBE-UHFFFAOYSA-N 1 2 234.299 1.965 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001349987391 981837153 /nfs/dbraw/zinc/83/71/53/981837153.db2.gz XAOTXBCYYKZFMW-BDAKNGLRSA-N 1 2 223.276 1.190 20 30 BDEDLO C=C1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001584283378 981861680 /nfs/dbraw/zinc/86/16/80/981861680.db2.gz UKMOECNYEKSKMQ-UHFFFAOYSA-N 1 2 213.240 1.346 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001584460777 981869783 /nfs/dbraw/zinc/86/97/83/981869783.db2.gz NPFXBEWHPKUQSG-CYBMUJFWSA-N 1 2 242.282 1.756 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC001587348297 982068277 /nfs/dbraw/zinc/06/82/77/982068277.db2.gz LDMKAGUSKRGRDU-UHFFFAOYSA-N 1 2 207.277 1.547 20 30 BDEDLO N#CCc1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241169648 982311793 /nfs/dbraw/zinc/31/17/93/982311793.db2.gz JLWUYTJVPJOJOB-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1nnccc1C#N ZINC001241229077 982379106 /nfs/dbraw/zinc/37/91/06/982379106.db2.gz WJVODVBOEISOPN-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203926847 982893097 /nfs/dbraw/zinc/89/30/97/982893097.db2.gz AJVHQFTZVAPNND-ZDUSSCGKSA-N 1 2 243.310 1.990 20 30 BDEDLO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203926847 982893100 /nfs/dbraw/zinc/89/31/00/982893100.db2.gz AJVHQFTZVAPNND-ZDUSSCGKSA-N 1 2 243.310 1.990 20 30 BDEDLO Cc1c(C)n(-c2ccc(N)[nH+]c2)c(N)c1C#N ZINC001201272418 983173727 /nfs/dbraw/zinc/17/37/27/983173727.db2.gz OCDQISOBMOOHHA-UHFFFAOYSA-N 1 2 227.271 1.525 20 30 BDEDLO N#Cc1cnoc1Nc1ccc(N)[nH+]c1 ZINC001201276696 983176324 /nfs/dbraw/zinc/17/63/24/983176324.db2.gz ZRZCWGIHGJQKKV-UHFFFAOYSA-N 1 2 201.189 1.267 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1cc(C#N)cnn1 ZINC001242077622 983324707 /nfs/dbraw/zinc/32/47/07/983324707.db2.gz GZLVROOYWIAVLS-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C#CC[NH+]1CCN(CCCC(F)(F)F)CC1 ZINC001202434007 983673897 /nfs/dbraw/zinc/67/38/97/983673897.db2.gz XRLZYTJAORMEMH-UHFFFAOYSA-N 1 2 234.265 1.580 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCn2cncc21 ZINC001357211168 983674861 /nfs/dbraw/zinc/67/48/61/983674861.db2.gz SVMQDJHVOATXKB-WDEREUQCSA-N 1 2 229.287 1.361 20 30 BDEDLO C=CCOC[C@H](O)CNc1cccc2[nH+]ccn21 ZINC001252451977 983780939 /nfs/dbraw/zinc/78/09/39/983780939.db2.gz GSYAJJFCOYNQCS-LLVKDONJSA-N 1 2 247.298 1.310 20 30 BDEDLO C=CCOC[C@@H](O)CNc1cc[nH+]c(OC)c1 ZINC001252454499 983783388 /nfs/dbraw/zinc/78/33/88/983783388.db2.gz RLHQHKBGFMXIHB-NSHDSACASA-N 1 2 238.287 1.066 20 30 BDEDLO C=C[C@@](C)(O)CNc1cc[nH+]c(OC)c1 ZINC001252542271 983807611 /nfs/dbraw/zinc/80/76/11/983807611.db2.gz BWMSGYWMBKVDIZ-LLVKDONJSA-N 1 2 208.261 1.439 20 30 BDEDLO CC(C)CCN(CCC#N)C(=O)Cc1[nH]cc[nH+]1 ZINC000826097333 983967294 /nfs/dbraw/zinc/96/72/94/983967294.db2.gz YTZPCSBPAYHLJT-UHFFFAOYSA-N 1 2 248.330 1.741 20 30 BDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031484 984242789 /nfs/dbraw/zinc/24/27/89/984242789.db2.gz RTDIDCWHIUFXSQ-GFCCVEGCSA-N 1 2 247.342 1.304 20 30 BDEDLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC001445581414 984603586 /nfs/dbraw/zinc/60/35/86/984603586.db2.gz GAMBILWPZIOJQK-LLVKDONJSA-N 1 2 244.298 1.180 20 30 BDEDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC001445581414 984603592 /nfs/dbraw/zinc/60/35/92/984603592.db2.gz GAMBILWPZIOJQK-LLVKDONJSA-N 1 2 244.298 1.180 20 30 BDEDLO C#Cc1cccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001451443442 984891278 /nfs/dbraw/zinc/89/12/78/984891278.db2.gz RQLSIGVNXGKEAJ-UHFFFAOYSA-N 1 2 239.278 1.250 20 30 BDEDLO COC[C@H](C[N@@H+]1CC[C@](F)(C#N)C1)C(C)C ZINC000930253549 984950716 /nfs/dbraw/zinc/95/07/16/984950716.db2.gz VTLRTYMMESWLQP-RYUDHWBXSA-N 1 2 228.311 1.843 20 30 BDEDLO COC[C@H](C[N@H+]1CC[C@](F)(C#N)C1)C(C)C ZINC000930253549 984950741 /nfs/dbraw/zinc/95/07/41/984950741.db2.gz VTLRTYMMESWLQP-RYUDHWBXSA-N 1 2 228.311 1.843 20 30 BDEDLO N#CCc1ccncc1-c1ccc[nH+]c1N ZINC001243472784 985017406 /nfs/dbraw/zinc/01/74/06/985017406.db2.gz AJVMCMRAKJJMIS-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192063001 985629976 /nfs/dbraw/zinc/62/99/76/985629976.db2.gz FFCOLLDPMJJEEN-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192063001 985629983 /nfs/dbraw/zinc/62/99/83/985629983.db2.gz FFCOLLDPMJJEEN-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(N(C)C)n1 ZINC001460210076 985803710 /nfs/dbraw/zinc/80/37/10/985803710.db2.gz LJRBFKFCPCEWRB-NSHDSACASA-N 1 2 232.331 1.929 20 30 BDEDLO Cc1c(N)cc[nH+]c1-c1ccncc1C#N ZINC001244331574 985958656 /nfs/dbraw/zinc/95/86/56/985958656.db2.gz NCCCRSMFRWVLGV-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO Cc1cc(-c2ccncc2C#N)c[nH+]c1N ZINC001244337085 985980144 /nfs/dbraw/zinc/98/01/44/985980144.db2.gz MJTSBAJQBUYDLQ-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001258725227 986062602 /nfs/dbraw/zinc/06/26/02/986062602.db2.gz HRIOKNQHHFBATJ-JQWIXIFHSA-N 1 2 227.304 1.263 20 30 BDEDLO C=C[C@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001253587376 986171855 /nfs/dbraw/zinc/17/18/55/986171855.db2.gz KZAYCTNSJQMSGV-LBPRGKRZSA-N 1 2 244.294 1.168 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccn1C(F)F ZINC001461926106 986233791 /nfs/dbraw/zinc/23/37/91/986233791.db2.gz IHOGJANLJQXDJT-UHFFFAOYSA-N 1 2 222.238 1.952 20 30 BDEDLO C=C[C@H](O)CNC(=[NH2+])c1ncccc1OCCC ZINC001253610743 986283789 /nfs/dbraw/zinc/28/37/89/986283789.db2.gz XBZMHNSUAODLSW-JTQLQIEISA-N 1 2 249.314 1.332 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001464574540 986642911 /nfs/dbraw/zinc/64/29/11/986642911.db2.gz UGEMCAVZDSTCRM-MNOVXSKESA-N 1 2 246.314 1.254 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCCC2(C1)OCCO2 ZINC001255176006 986870707 /nfs/dbraw/zinc/87/07/07/986870707.db2.gz UJPZEEBIRCQFQR-NSHDSACASA-N 1 2 224.304 1.518 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCCC2(C1)OCCO2 ZINC001255176006 986870710 /nfs/dbraw/zinc/87/07/10/986870710.db2.gz UJPZEEBIRCQFQR-NSHDSACASA-N 1 2 224.304 1.518 20 30 BDEDLO CC[C@H](CC#N)N1CCc2c([nH+]cn2C)C1 ZINC001255176229 986874006 /nfs/dbraw/zinc/87/40/06/986874006.db2.gz YQBGVYNFDZMGOQ-SNVBAGLBSA-N 1 2 218.304 1.470 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)C#CC1CC1 ZINC001137468455 986916010 /nfs/dbraw/zinc/91/60/10/986916010.db2.gz SKOQIGFIPSZQSP-UHFFFAOYSA-N 1 2 231.299 1.145 20 30 BDEDLO C=C/C(=[NH+]\COC)c1cnc2c(c1)NCCO2 ZINC001245547479 986937795 /nfs/dbraw/zinc/93/77/95/986937795.db2.gz OZGSFMOQXMDBKA-XNTDXEJSSA-N 1 2 233.271 1.465 20 30 BDEDLO Cc1cc(NCCn2cc[nH+]c2)ncc1C#N ZINC001472639346 987256934 /nfs/dbraw/zinc/25/69/34/987256934.db2.gz SALOUANJVNVIOS-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO CO[C@@H](C(C)=[NH+]n1cnnc1)c1ccccc1 ZINC000782097675 987302710 /nfs/dbraw/zinc/30/27/10/987302710.db2.gz LZTHSUQZXWWCJS-LBPRGKRZSA-N 1 2 230.271 1.890 20 30 BDEDLO N#Cc1ccc(Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001473232802 987379938 /nfs/dbraw/zinc/37/99/38/987379938.db2.gz RWHRWLBGSSOFNC-UHFFFAOYSA-N 1 2 228.211 1.711 20 30 BDEDLO N#Cc1csc(CNc2cc(CO)cc[nH+]2)n1 ZINC001474188390 987659540 /nfs/dbraw/zinc/65/95/40/987659540.db2.gz LIPNXSSRNIZCBB-UHFFFAOYSA-N 1 2 246.295 1.514 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(F)c1N ZINC001474250677 987668110 /nfs/dbraw/zinc/66/81/10/987668110.db2.gz JGBIVYQRQXARGK-QMMMGPOBSA-N 1 2 207.252 1.800 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116914848 987757955 /nfs/dbraw/zinc/75/79/55/987757955.db2.gz GWRXVEWAVYZEBR-QWRGUYRKSA-N 1 2 221.304 1.915 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C=C(CC)CC)C1 ZINC001494370508 988133811 /nfs/dbraw/zinc/13/38/11/988133811.db2.gz JSSLWCXJHXKUTP-UHFFFAOYSA-N 1 2 222.332 1.719 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC ZINC001494640095 988176827 /nfs/dbraw/zinc/17/68/27/988176827.db2.gz ARFKNTSQYIVQFN-RYUDHWBXSA-N 1 2 220.316 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC ZINC001494640095 988176836 /nfs/dbraw/zinc/17/68/36/988176836.db2.gz ARFKNTSQYIVQFN-RYUDHWBXSA-N 1 2 220.316 1.095 20 30 BDEDLO C[C@H](CCCC#N)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246708061 988449070 /nfs/dbraw/zinc/44/90/70/988449070.db2.gz XDLIWYBNFHELLL-LLVKDONJSA-N 1 2 248.330 1.273 20 30 BDEDLO C[C@H](CCCC#N)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246708061 988449076 /nfs/dbraw/zinc/44/90/76/988449076.db2.gz XDLIWYBNFHELLL-LLVKDONJSA-N 1 2 248.330 1.273 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001499045560 988528118 /nfs/dbraw/zinc/52/81/18/988528118.db2.gz YMPLXQPZDBGHFW-GFCCVEGCSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001499045560 988528127 /nfs/dbraw/zinc/52/81/27/988528127.db2.gz YMPLXQPZDBGHFW-GFCCVEGCSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(CC)CCC2)C1 ZINC001499732515 988557321 /nfs/dbraw/zinc/55/73/21/988557321.db2.gz TUAVQAQODJDVAA-UHFFFAOYSA-N 1 2 248.370 1.733 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001324533054 988865653 /nfs/dbraw/zinc/86/56/53/988865653.db2.gz LYWPWUDFSRGTML-LLVKDONJSA-N 1 2 219.288 1.254 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001324533054 988865654 /nfs/dbraw/zinc/86/56/54/988865654.db2.gz LYWPWUDFSRGTML-LLVKDONJSA-N 1 2 219.288 1.254 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001324582577 988880490 /nfs/dbraw/zinc/88/04/90/988880490.db2.gz PRTRGEBEYOCKSZ-JTQLQIEISA-N 1 2 221.304 1.773 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001602803554 989200305 /nfs/dbraw/zinc/20/03/05/989200305.db2.gz DHIDPDCSSROFIV-UTUOFQBUSA-N 1 2 249.314 1.405 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001602803554 989200312 /nfs/dbraw/zinc/20/03/12/989200312.db2.gz DHIDPDCSSROFIV-UTUOFQBUSA-N 1 2 249.314 1.405 20 30 BDEDLO C#Cc1cc(Nc2cnc3c(cnn3C)c2)cc[nH+]1 ZINC001249658902 989338201 /nfs/dbraw/zinc/33/82/01/989338201.db2.gz IBDUEYJJJQDRSC-UHFFFAOYSA-N 1 2 249.277 1.510 20 30 BDEDLO C#CCC1(NC(=O)[C@H](C)n2cc[nH+]c2)CCC1 ZINC001119909940 989471015 /nfs/dbraw/zinc/47/10/15/989471015.db2.gz HZBDOQDIXRPVRP-NSHDSACASA-N 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1.872 20 30 BDEDLO COC1C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701841 991332690 /nfs/dbraw/zinc/33/26/90/991332690.db2.gz QBBJIJQZPQNXCP-UHFFFAOYSA-N 1 2 241.294 1.870 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(COC)s1 ZINC001139831038 991386371 /nfs/dbraw/zinc/38/63/71/991386371.db2.gz HQWHMXQZBVLDRS-UHFFFAOYSA-N 1 2 233.336 1.963 20 30 BDEDLO C=C[C@@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001139980922 991452395 /nfs/dbraw/zinc/45/23/95/991452395.db2.gz UQZDRZUBMWGQLT-GFCCVEGCSA-N 1 2 231.255 1.210 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386875 991629587 /nfs/dbraw/zinc/62/95/87/991629587.db2.gz WCROPDKVHJNKLW-NSHDSACASA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386875 991629592 /nfs/dbraw/zinc/62/95/92/991629592.db2.gz WCROPDKVHJNKLW-NSHDSACASA-N 1 2 226.283 1.908 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318167735 991632099 /nfs/dbraw/zinc/63/20/99/991632099.db2.gz SYUHWBWYBQDRHS-LLVKDONJSA-N 1 2 234.303 1.595 20 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C=CCn1cnnc1SCc1cc[nH+]c(N)c1 ZINC001321219972 992491459 /nfs/dbraw/zinc/49/14/59/992491459.db2.gz FDWPICYEMKLKRI-UHFFFAOYSA-N 1 2 247.327 1.734 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001262006166 992586370 /nfs/dbraw/zinc/58/63/70/992586370.db2.gz BXJYEHLJNLOWHW-LLVKDONJSA-N 1 2 208.261 1.452 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001262006166 992586373 /nfs/dbraw/zinc/58/63/73/992586373.db2.gz BXJYEHLJNLOWHW-LLVKDONJSA-N 1 2 208.261 1.452 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@@H](CCCC)C(=O)OC ZINC000382475764 993462743 /nfs/dbraw/zinc/46/27/43/993462743.db2.gz IACKLLPCQMZQGK-LBPRGKRZSA-N 1 2 243.347 1.853 20 30 BDEDLO C=CC[N@H+](CCOC)[C@@H](CCCC)C(=O)OC ZINC000382475764 993462746 /nfs/dbraw/zinc/46/27/46/993462746.db2.gz IACKLLPCQMZQGK-LBPRGKRZSA-N 1 2 243.347 1.853 20 30 BDEDLO C#CC[NH+]1CCN(Cc2c(N)cccc2F)CC1 ZINC000384768413 993623036 /nfs/dbraw/zinc/62/30/36/993623036.db2.gz OMKXCVVWIAOAJX-UHFFFAOYSA-N 1 2 247.317 1.159 20 30 BDEDLO C#CCN1CC[NH+](Cc2c(N)cccc2F)CC1 ZINC000384768413 993623043 /nfs/dbraw/zinc/62/30/43/993623043.db2.gz OMKXCVVWIAOAJX-UHFFFAOYSA-N 1 2 247.317 1.159 20 30 BDEDLO CC[N@@H+]1CC[C@H]1C(=O)NC1(C#N)CCCCC1 ZINC001292650121 994624925 /nfs/dbraw/zinc/62/49/25/994624925.db2.gz GLLQPHLCGDKCSO-NSHDSACASA-N 1 2 235.331 1.423 20 30 BDEDLO CC[N@H+]1CC[C@H]1C(=O)NC1(C#N)CCCCC1 ZINC001292650121 994624936 /nfs/dbraw/zinc/62/49/36/994624936.db2.gz GLLQPHLCGDKCSO-NSHDSACASA-N 1 2 235.331 1.423 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602087718 349434947 /nfs/dbraw/zinc/43/49/47/349434947.db2.gz DNSBYXQXQSBYES-NEPJUHHUSA-N 1 2 248.330 1.889 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602116108 349445890 /nfs/dbraw/zinc/44/58/90/349445890.db2.gz JXDGUEZTBQQJTC-KKZNHRDASA-N 1 2 246.314 1.568 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602116108 349445894 /nfs/dbraw/zinc/44/58/94/349445894.db2.gz JXDGUEZTBQQJTC-KKZNHRDASA-N 1 2 246.314 1.568 20 30 BDEDLO 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C=CCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649883638 398161980 /nfs/dbraw/zinc/16/19/80/398161980.db2.gz XRXKORWFQJOQQD-LBPRGKRZSA-N 1 2 221.304 1.370 20 30 BDEDLO CC#CC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426209398 398216006 /nfs/dbraw/zinc/21/60/06/398216006.db2.gz SLKXSQVHRJEZBE-GFCCVEGCSA-N 1 2 222.332 1.198 20 30 BDEDLO CC#CC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426209398 398216008 /nfs/dbraw/zinc/21/60/08/398216008.db2.gz SLKXSQVHRJEZBE-GFCCVEGCSA-N 1 2 222.332 1.198 20 30 BDEDLO Cc1cc(NCCCn2cc[nH+]c2)cc(C#N)n1 ZINC000308269754 178159229 /nfs/dbraw/zinc/15/92/29/178159229.db2.gz SACRIRIMOHDGJA-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO C[C@H]1C[N@H+](CCC(C)(C)C#N)CC[S@@]1=O ZINC000334290416 136225175 /nfs/dbraw/zinc/22/51/75/136225175.db2.gz LTRSBYVSZYOVQN-BONVTDFDSA-N 1 2 228.361 1.379 20 30 BDEDLO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CC[S@@]1=O ZINC000334290416 136225176 /nfs/dbraw/zinc/22/51/76/136225176.db2.gz LTRSBYVSZYOVQN-BONVTDFDSA-N 1 2 228.361 1.379 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000286175435 398248830 /nfs/dbraw/zinc/24/88/30/398248830.db2.gz OWEGHAPTOZKQSB-UHFFFAOYSA-N 1 2 246.358 1.848 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000286175435 398248832 /nfs/dbraw/zinc/24/88/32/398248832.db2.gz OWEGHAPTOZKQSB-UHFFFAOYSA-N 1 2 246.358 1.848 20 30 BDEDLO C=CC[C@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000576552361 365624752 /nfs/dbraw/zinc/62/47/52/365624752.db2.gz IDFLXMXUGFIQQE-LLVKDONJSA-N 1 2 249.314 1.179 20 30 BDEDLO C#C[C@H](C)N(C)c1nc[nH+]c(N)c1Cl ZINC000306278826 259308952 /nfs/dbraw/zinc/30/89/52/259308952.db2.gz XARTVFUZWVSQKH-LURJTMIESA-N 1 2 210.668 1.170 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCc1c[nH+]cn1C ZINC000291151048 538947578 /nfs/dbraw/zinc/94/75/78/538947578.db2.gz GVJHLUFARLPJBQ-LBPRGKRZSA-N 1 2 221.304 1.639 20 30 BDEDLO CC[C@H]1COCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602446357 349546230 /nfs/dbraw/zinc/54/62/30/349546230.db2.gz CXEAVEWFGDOSHA-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[C@H]1COCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602446357 349546233 /nfs/dbraw/zinc/54/62/33/349546233.db2.gz CXEAVEWFGDOSHA-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[N@@H+](Cc1cccc(C#N)n1)C[C@@H](C)C#N ZINC000602446514 349547182 /nfs/dbraw/zinc/54/71/82/349547182.db2.gz FLERPXQUVRVMHI-NSHDSACASA-N 1 2 228.299 1.935 20 30 BDEDLO CC[N@H+](Cc1cccc(C#N)n1)C[C@@H](C)C#N ZINC000602446514 349547186 /nfs/dbraw/zinc/54/71/86/349547186.db2.gz FLERPXQUVRVMHI-NSHDSACASA-N 1 2 228.299 1.935 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602447332 349547548 /nfs/dbraw/zinc/54/75/48/349547548.db2.gz MUONRBPXVNBEDA-VIFPVBQESA-N 1 2 205.261 1.379 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602447332 349547552 /nfs/dbraw/zinc/54/75/52/349547552.db2.gz MUONRBPXVNBEDA-VIFPVBQESA-N 1 2 205.261 1.379 20 30 BDEDLO COc1cncc(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000602447301 349547663 /nfs/dbraw/zinc/54/76/63/349547663.db2.gz MKWIAMJIISITDN-JTQLQIEISA-N 1 2 233.315 1.990 20 30 BDEDLO 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N#CCC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291944587 136288968 /nfs/dbraw/zinc/28/89/68/136288968.db2.gz UHTNJBAFEWGYJD-AWEZNQCLSA-N 1 2 230.311 1.536 20 30 BDEDLO N#CCC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291944587 136288969 /nfs/dbraw/zinc/28/89/69/136288969.db2.gz UHTNJBAFEWGYJD-AWEZNQCLSA-N 1 2 230.311 1.536 20 30 BDEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC#N ZINC000609030962 343261091 /nfs/dbraw/zinc/26/10/91/343261091.db2.gz XQGSAGJMJLGKKQ-VIFPVBQESA-N 1 2 249.270 1.995 20 30 BDEDLO CCOC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000078003415 343264799 /nfs/dbraw/zinc/26/47/99/343264799.db2.gz KWRQKYBWPIOUPU-LBPRGKRZSA-N 1 2 226.320 1.152 20 30 BDEDLO CCOC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000078003415 343264801 /nfs/dbraw/zinc/26/48/01/343264801.db2.gz KWRQKYBWPIOUPU-LBPRGKRZSA-N 1 2 226.320 1.152 20 30 BDEDLO CCOC(=O)CC/[NH+]=C/c1cccc(O)c1O ZINC000299259460 136291560 /nfs/dbraw/zinc/29/15/60/136291560.db2.gz JFOBIOAKCXNWBN-MDWZMJQESA-N 1 2 237.255 1.470 20 30 BDEDLO CC#CCN1CC[NH+](Cc2ccncc2)CC1 ZINC000119753775 136291834 /nfs/dbraw/zinc/29/18/34/136291834.db2.gz LFOILBQIGSCCKO-UHFFFAOYSA-N 1 2 229.327 1.223 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609170164 343325537 /nfs/dbraw/zinc/32/55/37/343325537.db2.gz MQRVGGJSMFSKBQ-NSHDSACASA-N 1 2 234.303 1.472 20 30 BDEDLO C=CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047268267 343389673 /nfs/dbraw/zinc/38/96/73/343389673.db2.gz FWBNOPNRTXDCJF-UHFFFAOYSA-N 1 2 241.294 1.847 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(CC=C)CC=C ZINC000299206970 343398517 /nfs/dbraw/zinc/39/85/17/343398517.db2.gz HASUWNSYVRWJKH-AWEZNQCLSA-N 1 2 244.338 1.144 20 30 BDEDLO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335691843 136325201 /nfs/dbraw/zinc/32/52/01/136325201.db2.gz SBDVNBLPWRSFBU-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335691843 136325202 /nfs/dbraw/zinc/32/52/02/136325202.db2.gz SBDVNBLPWRSFBU-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@@H]1OCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000329564744 136366201 /nfs/dbraw/zinc/36/62/01/136366201.db2.gz SIGVIQBKRJLTIZ-WCBMZHEXSA-N 1 2 223.276 1.476 20 30 BDEDLO C[C@@H]1OCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000329564744 136366202 /nfs/dbraw/zinc/36/62/02/136366202.db2.gz SIGVIQBKRJLTIZ-WCBMZHEXSA-N 1 2 223.276 1.476 20 30 BDEDLO C=CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000048844339 136372808 /nfs/dbraw/zinc/37/28/08/136372808.db2.gz ZHBIZAFYBIEMJA-UHFFFAOYSA-N 1 2 244.298 1.628 20 30 BDEDLO N#CCCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602896030 349812712 /nfs/dbraw/zinc/81/27/12/349812712.db2.gz FGFXTQKKGZCQNT-NSHDSACASA-N 1 2 216.288 1.917 20 30 BDEDLO N#CCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602896030 349812719 /nfs/dbraw/zinc/81/27/19/349812719.db2.gz FGFXTQKKGZCQNT-NSHDSACASA-N 1 2 216.288 1.917 20 30 BDEDLO Cc1ccc(NC(=O)NC[C@@H](C)C#N)c(C)[nH+]1 ZINC000176501857 365787511 /nfs/dbraw/zinc/78/75/11/365787511.db2.gz PLWUELACPNOORR-QMMMGPOBSA-N 1 2 232.287 1.980 20 30 BDEDLO CCN(C#N)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982258 349833630 /nfs/dbraw/zinc/83/36/30/349833630.db2.gz PVAPABXBVMMPLS-VXGBXAGGSA-N 1 2 220.320 1.413 20 30 BDEDLO CCN(C#N)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982258 349833631 /nfs/dbraw/zinc/83/36/31/349833631.db2.gz PVAPABXBVMMPLS-VXGBXAGGSA-N 1 2 220.320 1.413 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCC[C@@H]2C#N)C1=O ZINC000602982557 349835293 /nfs/dbraw/zinc/83/52/93/349835293.db2.gz UTLXZSFINKAWDH-UPJWGTAASA-N 1 2 247.342 1.397 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@@H]2C#N)C1=O ZINC000602982557 349835296 /nfs/dbraw/zinc/83/52/96/349835296.db2.gz UTLXZSFINKAWDH-UPJWGTAASA-N 1 2 247.342 1.397 20 30 BDEDLO N#CC1(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000602987935 349838486 /nfs/dbraw/zinc/83/84/86/349838486.db2.gz WKBPFLJVTMWQMM-DTWKUNHWSA-N 1 2 248.248 1.393 20 30 BDEDLO N#CC1(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000602987935 349838488 /nfs/dbraw/zinc/83/84/88/349838488.db2.gz 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MSQUJFMJMJSGKM-UHFFFAOYSA-N 1 2 221.308 1.566 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCCSC)nn1 ZINC000603225792 349889044 /nfs/dbraw/zinc/88/90/44/349889044.db2.gz LHSRWUJJNXQAAU-UHFFFAOYSA-N 1 2 238.360 1.144 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000157065245 343907220 /nfs/dbraw/zinc/90/72/20/343907220.db2.gz WDDARTGULQBOOW-VHSXEESVSA-N 1 2 211.309 1.135 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC#N)C1CC1 ZINC000570580332 323063890 /nfs/dbraw/zinc/06/38/90/323063890.db2.gz SSXRMJOXRVLZIR-SECBINFHSA-N 1 2 232.287 1.103 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC#N)C1CC1 ZINC000570580332 323063891 /nfs/dbraw/zinc/06/38/91/323063891.db2.gz SSXRMJOXRVLZIR-SECBINFHSA-N 1 2 232.287 1.103 20 30 BDEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000625703947 344048943 /nfs/dbraw/zinc/04/89/43/344048943.db2.gz QBBAIEPZRRVHLV-JTQLQIEISA-N 1 2 207.277 1.776 20 30 BDEDLO C=CC[C@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000625703947 344048946 /nfs/dbraw/zinc/04/89/46/344048946.db2.gz QBBAIEPZRRVHLV-JTQLQIEISA-N 1 2 207.277 1.776 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)[C@@H](C)COC ZINC000157413508 344095773 /nfs/dbraw/zinc/09/57/73/344095773.db2.gz YXSRNYMLPPHXPE-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)[C@@H](C)COC ZINC000157413508 344095777 /nfs/dbraw/zinc/09/57/77/344095777.db2.gz YXSRNYMLPPHXPE-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000381492244 344513111 /nfs/dbraw/zinc/51/31/11/344513111.db2.gz YLLGQBUEMDWXMN-DTWKUNHWSA-N 1 2 233.258 1.739 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)OC ZINC000381593407 344525000 /nfs/dbraw/zinc/52/50/00/344525000.db2.gz KOGDNQULJNNXDC-MMVSWEMESA-N 1 2 223.316 1.882 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000625953098 344591744 /nfs/dbraw/zinc/59/17/44/344591744.db2.gz JKWDEVXGGWSTCQ-OLZOCXBDSA-N 1 2 225.332 1.526 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000625953098 344591746 /nfs/dbraw/zinc/59/17/46/344591746.db2.gz JKWDEVXGGWSTCQ-OLZOCXBDSA-N 1 2 225.332 1.526 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641548802 362491120 /nfs/dbraw/zinc/49/11/20/362491120.db2.gz OKLNJLANJGSMKY-JSGCOSHPSA-N 1 2 248.326 1.967 20 30 BDEDLO CSCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000181878886 347076566 /nfs/dbraw/zinc/07/65/66/347076566.db2.gz CORLIBBSMHLIKM-UHFFFAOYSA-N 1 2 245.373 1.646 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1nncn1C ZINC000050418846 344815763 /nfs/dbraw/zinc/81/57/63/344815763.db2.gz AVJIAOZZOKNMGV-RKDXNWHRSA-N 1 2 207.281 1.158 20 30 BDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000078320861 344844872 /nfs/dbraw/zinc/84/48/72/344844872.db2.gz MOKIWPKUBVWVPE-ZDUSSCGKSA-N 1 2 248.326 1.580 20 30 BDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000078320861 344844874 /nfs/dbraw/zinc/84/48/74/344844874.db2.gz MOKIWPKUBVWVPE-ZDUSSCGKSA-N 1 2 248.326 1.580 20 30 BDEDLO C=C(C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583385449 344866591 /nfs/dbraw/zinc/86/65/91/344866591.db2.gz HLUVOFQMYMNXRD-SNVBAGLBSA-N 1 2 207.277 1.527 20 30 BDEDLO Cc1cc(NC(=O)N(C)CCC#N)cc[nH+]1 ZINC000119833902 344867510 /nfs/dbraw/zinc/86/75/10/344867510.db2.gz JBTPUBVSJRTVGW-UHFFFAOYSA-N 1 2 218.260 1.767 20 30 BDEDLO C[C@@H](C#N)CN(C)CC[N@H+](C)C[C@@H](C)C#N ZINC000358977724 344892025 /nfs/dbraw/zinc/89/20/25/344892025.db2.gz LKBZKKGNULFYCS-RYUDHWBXSA-N 1 2 222.336 1.169 20 30 BDEDLO C[C@@H](C#N)CN(C)CC[N@@H+](C)C[C@@H](C)C#N ZINC000358977724 344892028 /nfs/dbraw/zinc/89/20/28/344892028.db2.gz LKBZKKGNULFYCS-RYUDHWBXSA-N 1 2 222.336 1.169 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926345 344973983 /nfs/dbraw/zinc/97/39/83/344973983.db2.gz GQDHDXNZIVXTLD-SECBINFHSA-N 1 2 219.244 1.844 20 30 BDEDLO Cc1cc(N2CC[S@@](=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425224977 192084375 /nfs/dbraw/zinc/08/43/75/192084375.db2.gz FGJRXTWDMWJOAN-DYZYQPBXSA-N 1 2 249.339 1.219 20 30 BDEDLO CC[N@H+](CCC#N)CCn1ccccc1=O ZINC000148141648 345272021 /nfs/dbraw/zinc/27/20/21/345272021.db2.gz QAMTXGDKPRKYOV-UHFFFAOYSA-N 1 2 219.288 1.084 20 30 BDEDLO CC[N@@H+](CCC#N)CCn1ccccc1=O ZINC000148141648 345272024 /nfs/dbraw/zinc/27/20/24/345272024.db2.gz QAMTXGDKPRKYOV-UHFFFAOYSA-N 1 2 219.288 1.084 20 30 BDEDLO N#CCC[N@@H+](CCO)Cc1cccc(F)c1 ZINC000081640600 345488936 /nfs/dbraw/zinc/48/89/36/345488936.db2.gz ZSEAHVGLKLNGFN-UHFFFAOYSA-N 1 2 222.263 1.534 20 30 BDEDLO N#CCC[N@H+](CCO)Cc1cccc(F)c1 ZINC000081640600 345488938 /nfs/dbraw/zinc/48/89/38/345488938.db2.gz ZSEAHVGLKLNGFN-UHFFFAOYSA-N 1 2 222.263 1.534 20 30 BDEDLO CO[C@@H](C)c1noc(C[N@H+](C)CCCC#N)n1 ZINC000081560126 345478336 /nfs/dbraw/zinc/47/83/36/345478336.db2.gz HUPDPBMQZBWWNS-VIFPVBQESA-N 1 2 238.291 1.513 20 30 BDEDLO CO[C@@H](C)c1noc(C[N@@H+](C)CCCC#N)n1 ZINC000081560126 345478339 /nfs/dbraw/zinc/47/83/39/345478339.db2.gz HUPDPBMQZBWWNS-VIFPVBQESA-N 1 2 238.291 1.513 20 30 BDEDLO Cc1nn(Cc2c[nH+]ccc2C)c(N)c1C#N ZINC000418901794 192089322 /nfs/dbraw/zinc/08/93/22/192089322.db2.gz OVPZGAFDIMZOGM-UHFFFAOYSA-N 1 2 227.271 1.397 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000093090856 345657056 /nfs/dbraw/zinc/65/70/56/345657056.db2.gz KPCWUPZZCJNGIP-VIFPVBQESA-N 1 2 238.360 1.943 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000093090856 345657058 /nfs/dbraw/zinc/65/70/58/345657058.db2.gz KPCWUPZZCJNGIP-VIFPVBQESA-N 1 2 238.360 1.943 20 30 BDEDLO NC(=[NH+]OC/C(Cl)=C/Cl)[C@@H]1CCCO1 ZINC000284388010 133562943 /nfs/dbraw/zinc/56/29/43/133562943.db2.gz MKPJRPSEMMENCL-NGAMADIESA-N 1 2 239.102 1.773 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534593 537958488 /nfs/dbraw/zinc/95/84/88/537958488.db2.gz WPDITKVKACMCGG-JTQLQIEISA-N 1 2 246.314 1.665 20 30 BDEDLO C=C1CC(C)(C(=O)NCCc2c[nH+]cn2C)C1 ZINC000632390712 346297463 /nfs/dbraw/zinc/29/74/63/346297463.db2.gz HTRKMHOZNREKND-UHFFFAOYSA-N 1 2 233.315 1.435 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000289750438 346332110 /nfs/dbraw/zinc/33/21/10/346332110.db2.gz NVFNHUIECZLUIJ-UHFFFAOYSA-N 1 2 214.700 1.701 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000301053124 346572367 /nfs/dbraw/zinc/57/23/67/346572367.db2.gz XONZZTXRUYEFQM-GMTAPVOTSA-N 1 2 227.304 1.071 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000301053124 346572371 /nfs/dbraw/zinc/57/23/71/346572371.db2.gz XONZZTXRUYEFQM-GMTAPVOTSA-N 1 2 227.304 1.071 20 30 BDEDLO COC[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589501908 346708280 /nfs/dbraw/zinc/70/82/80/346708280.db2.gz ZCISORCZQBHUTP-JTQLQIEISA-N 1 2 237.328 1.626 20 30 BDEDLO COC[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000589501908 346708282 /nfs/dbraw/zinc/70/82/82/346708282.db2.gz ZCISORCZQBHUTP-JTQLQIEISA-N 1 2 237.328 1.626 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000589309633 346688983 /nfs/dbraw/zinc/68/89/83/346688983.db2.gz YKFACFNUHNHZJB-NWDGAFQWSA-N 1 2 249.314 1.166 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000589309633 346688986 /nfs/dbraw/zinc/68/89/86/346688986.db2.gz YKFACFNUHNHZJB-NWDGAFQWSA-N 1 2 249.314 1.166 20 30 BDEDLO N#CC1CN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000590119887 346775977 /nfs/dbraw/zinc/77/59/77/346775977.db2.gz BFRFFWPDWBRLKY-UHFFFAOYSA-N 1 2 241.254 1.322 20 30 BDEDLO N#CCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000589721801 346732868 /nfs/dbraw/zinc/73/28/68/346732868.db2.gz NOFVEWLAFLZPEH-SNVBAGLBSA-N 1 2 232.287 1.008 20 30 BDEDLO N#C[C@H]1C[N@H+](CC2CC2)CCN1C1CC1 ZINC000363841566 347115495 /nfs/dbraw/zinc/11/54/95/347115495.db2.gz JFQUYLPWBQDQNF-LBPRGKRZSA-N 1 2 205.305 1.069 20 30 BDEDLO N#C[C@H]1C[N@@H+](CC2CC2)CCN1C1CC1 ZINC000363841566 347115500 /nfs/dbraw/zinc/11/55/00/347115500.db2.gz JFQUYLPWBQDQNF-LBPRGKRZSA-N 1 2 205.305 1.069 20 30 BDEDLO C=C[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000309623552 347123075 /nfs/dbraw/zinc/12/30/75/347123075.db2.gz FCHKNQBSHPNATQ-MRVPVSSYSA-N 1 2 218.260 1.225 20 30 BDEDLO CC[C@](C)([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000309684215 347133425 /nfs/dbraw/zinc/13/34/25/347133425.db2.gz ADOXDOJMURQPEE-LBPRGKRZSA-N 1 2 226.320 1.858 20 30 BDEDLO Cc1ccc(F)cc1CO[NH+]=C(N)CCO ZINC000187228739 347252295 /nfs/dbraw/zinc/25/22/95/347252295.db2.gz LSUUZHXOWJNYDE-UHFFFAOYSA-N 1 2 226.251 1.305 20 30 BDEDLO C[C@H](C#N)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364045942 347246667 /nfs/dbraw/zinc/24/66/67/347246667.db2.gz OORUCIBGHRXNPY-YPMHNXCESA-N 1 2 215.300 1.858 20 30 BDEDLO C[C@H](C#N)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364045942 347246668 /nfs/dbraw/zinc/24/66/68/347246668.db2.gz OORUCIBGHRXNPY-YPMHNXCESA-N 1 2 215.300 1.858 20 30 BDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC#N)c1 ZINC000155525641 347455832 /nfs/dbraw/zinc/45/58/32/347455832.db2.gz VQCHBUQCOSLRHJ-UHFFFAOYSA-N 1 2 240.266 1.434 20 30 BDEDLO COCC[N@H+](CCC#N)Cc1ccncc1C ZINC000590638877 347484126 /nfs/dbraw/zinc/48/41/26/347484126.db2.gz HJTOMVBOFJOJNY-UHFFFAOYSA-N 1 2 233.315 1.752 20 30 BDEDLO COCC[N@@H+](CCC#N)Cc1ccncc1C ZINC000590638877 347484131 /nfs/dbraw/zinc/48/41/31/347484131.db2.gz HJTOMVBOFJOJNY-UHFFFAOYSA-N 1 2 233.315 1.752 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)C1(C#N)CCOCC1 ZINC000111043764 347473734 /nfs/dbraw/zinc/47/37/34/347473734.db2.gz FWVROBCUUIKGOA-UHFFFAOYSA-N 1 2 245.282 1.649 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364891801 347582337 /nfs/dbraw/zinc/58/23/37/347582337.db2.gz DOPSXWTYDTVQAM-QWRGUYRKSA-N 1 2 246.314 1.254 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H](CC(C)C)OC ZINC000591374281 347649462 /nfs/dbraw/zinc/64/94/62/347649462.db2.gz JCDXSOMPLLOFNX-CYBMUJFWSA-N 1 2 242.363 1.910 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H](CC(C)C)OC ZINC000591374281 347649464 /nfs/dbraw/zinc/64/94/64/347649464.db2.gz JCDXSOMPLLOFNX-CYBMUJFWSA-N 1 2 242.363 1.910 20 30 BDEDLO N#CCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000591019761 347610502 /nfs/dbraw/zinc/61/05/02/347610502.db2.gz AZMRZWUEHMISHR-CYBMUJFWSA-N 1 2 216.284 1.324 20 30 BDEDLO Cc1nc(C[NH2+]C[C@H](C#N)CCC#N)cs1 ZINC000591729100 347693143 /nfs/dbraw/zinc/69/31/43/347693143.db2.gz NQVGIOOPKKJMPI-JTQLQIEISA-N 1 2 234.328 1.985 20 30 BDEDLO CS(=O)(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000591770623 347698062 /nfs/dbraw/zinc/69/80/62/347698062.db2.gz PJOQOLCKEIFVGU-UHFFFAOYSA-N 1 2 238.312 1.093 20 30 BDEDLO CC(C)(C#N)CNc1nc(N)[nH+]c2c1CCCC2 ZINC000591929857 347720242 /nfs/dbraw/zinc/72/02/42/347720242.db2.gz YTONHYJHFHGYAB-UHFFFAOYSA-N 1 2 245.330 1.152 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CCCO1 ZINC000592067034 347726843 /nfs/dbraw/zinc/72/68/43/347726843.db2.gz NKNRAFPTQATWOW-LLVKDONJSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCCO1 ZINC000592067034 347726846 /nfs/dbraw/zinc/72/68/46/347726846.db2.gz NKNRAFPTQATWOW-LLVKDONJSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cnn(C)c1 ZINC000592104779 347734094 /nfs/dbraw/zinc/73/40/94/347734094.db2.gz WAXCJWFFJFTEOA-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccncc1C#N ZINC000592114807 347736022 /nfs/dbraw/zinc/73/60/22/347736022.db2.gz VSRGMJYSFDOGJY-UHFFFAOYSA-N 1 2 231.299 1.588 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccncc1C#N ZINC000592114807 347736024 /nfs/dbraw/zinc/73/60/24/347736024.db2.gz VSRGMJYSFDOGJY-UHFFFAOYSA-N 1 2 231.299 1.588 20 30 BDEDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccncc1C#N ZINC000592115058 347736239 /nfs/dbraw/zinc/73/62/39/347736239.db2.gz DSHBXNGOKLEEJD-NXEZZACHSA-N 1 2 201.273 1.936 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)[C@H]1CCCOC1 ZINC000592123670 347738469 /nfs/dbraw/zinc/73/84/69/347738469.db2.gz XVAMMOSEELEVHI-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCCOC1 ZINC000592123670 347738471 /nfs/dbraw/zinc/73/84/71/347738471.db2.gz XVAMMOSEELEVHI-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cncc(F)c2)C1 ZINC000592150679 347741633 /nfs/dbraw/zinc/74/16/33/347741633.db2.gz GIHUESYXHOGIFQ-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000592150679 347741636 /nfs/dbraw/zinc/74/16/36/347741636.db2.gz GIHUESYXHOGIFQ-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096154 347854077 /nfs/dbraw/zinc/85/40/77/347854077.db2.gz VJGYTMMFNZSUNA-GDZNZVCISA-N 1 2 246.335 1.263 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096154 347854081 /nfs/dbraw/zinc/85/40/81/347854081.db2.gz VJGYTMMFNZSUNA-GDZNZVCISA-N 1 2 246.335 1.263 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096155 347854364 /nfs/dbraw/zinc/85/43/64/347854364.db2.gz VJGYTMMFNZSUNA-DCGLDWPTSA-N 1 2 246.335 1.263 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096155 347854365 /nfs/dbraw/zinc/85/43/65/347854365.db2.gz VJGYTMMFNZSUNA-DCGLDWPTSA-N 1 2 246.335 1.263 20 30 BDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000593154507 347866473 /nfs/dbraw/zinc/86/64/73/347866473.db2.gz YVWGBOKKXNIUMB-GWCFXTLKSA-N 1 2 249.314 1.343 20 30 BDEDLO Cc1ncc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000535077004 323165689 /nfs/dbraw/zinc/16/56/89/323165689.db2.gz AGZHGKVWHDJTJF-UHFFFAOYSA-N 1 2 218.304 1.909 20 30 BDEDLO Cc1ncc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000535077004 323165690 /nfs/dbraw/zinc/16/56/90/323165690.db2.gz AGZHGKVWHDJTJF-UHFFFAOYSA-N 1 2 218.304 1.909 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593110555 347861173 /nfs/dbraw/zinc/86/11/73/347861173.db2.gz AOXDCDFEWUQNPP-RYUDHWBXSA-N 1 2 248.330 1.889 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000593404621 347884339 /nfs/dbraw/zinc/88/43/39/347884339.db2.gz RUNGKQXNPNKIRB-NSHDSACASA-N 1 2 246.314 1.314 20 30 BDEDLO CC[C@H](C#N)C(=O)Nc1c[nH+]ccc1OC ZINC000593442023 347891583 /nfs/dbraw/zinc/89/15/83/347891583.db2.gz NHZUIPNYFCDUNT-MRVPVSSYSA-N 1 2 219.244 1.578 20 30 BDEDLO N#CC1(CNc2[nH+]cnc3[nH]ccc32)CCCC1 ZINC000593484147 347897519 /nfs/dbraw/zinc/89/75/19/347897519.db2.gz CWWGXVMNTBYFMT-UHFFFAOYSA-N 1 2 241.298 1.876 20 30 BDEDLO C[C@H](CC(=O)NCC1(C#N)CC1)n1cc[nH+]c1 ZINC000593677721 347931560 /nfs/dbraw/zinc/93/15/60/347931560.db2.gz DEPCSKVWUBEANX-SNVBAGLBSA-N 1 2 232.287 1.254 20 30 BDEDLO N#CCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593596002 347911650 /nfs/dbraw/zinc/91/16/50/347911650.db2.gz NKGRGBRMGXUFNT-UHFFFAOYSA-N 1 2 246.314 1.182 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)CCCCC#N ZINC000594321415 348029279 /nfs/dbraw/zinc/02/92/79/348029279.db2.gz AQOFQFNYMSITMY-UHFFFAOYSA-N 1 2 248.330 1.816 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](C)C#N ZINC000594253237 348026062 /nfs/dbraw/zinc/02/60/62/348026062.db2.gz OXHLXWIPYUYRQX-NXEZZACHSA-N 1 2 234.303 1.206 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)C#N ZINC000594253237 348026066 /nfs/dbraw/zinc/02/60/66/348026066.db2.gz OXHLXWIPYUYRQX-NXEZZACHSA-N 1 2 234.303 1.206 20 30 BDEDLO COc1c(C)[nH+]cnc1NCC(C)(C)CCC#N ZINC000594581692 348076383 /nfs/dbraw/zinc/07/63/83/348076383.db2.gz UZRMHYXNUJJORT-UHFFFAOYSA-N 1 2 248.330 1.957 20 30 BDEDLO COC(=O)c1cc(C[NH2+]C[C@H](C)C#N)c(C)o1 ZINC000594605468 348080534 /nfs/dbraw/zinc/08/05/34/348080534.db2.gz BBAGWPIQMANKGY-MRVPVSSYSA-N 1 2 236.271 1.624 20 30 BDEDLO COC[C@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000595328654 348227517 /nfs/dbraw/zinc/22/75/17/348227517.db2.gz JYWQAIRYDZUFPU-LBPRGKRZSA-N 1 2 226.320 1.416 20 30 BDEDLO COC[C@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000595328654 348227518 /nfs/dbraw/zinc/22/75/18/348227518.db2.gz JYWQAIRYDZUFPU-LBPRGKRZSA-N 1 2 226.320 1.416 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)co1 ZINC000174529163 187390116 /nfs/dbraw/zinc/39/01/16/187390116.db2.gz JQHPYKYDYLYKEK-UHFFFAOYSA-N 1 2 231.251 1.135 20 30 BDEDLO COC(=O)C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595286225 348212370 /nfs/dbraw/zinc/21/23/70/348212370.db2.gz GCYNKZWINRQEEJ-UHFFFAOYSA-N 1 2 232.283 1.206 20 30 BDEDLO COC(=O)C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595286225 348212371 /nfs/dbraw/zinc/21/23/71/348212371.db2.gz GCYNKZWINRQEEJ-UHFFFAOYSA-N 1 2 232.283 1.206 20 30 BDEDLO C[C@@H]1C[C@H]([N@@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000595456587 348255436 /nfs/dbraw/zinc/25/54/36/348255436.db2.gz SKFKGDLIZGJDLZ-GMTAPVOTSA-N 1 2 212.268 1.491 20 30 BDEDLO C[C@@H]1C[C@H]([N@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000595456587 348255438 /nfs/dbraw/zinc/25/54/38/348255438.db2.gz SKFKGDLIZGJDLZ-GMTAPVOTSA-N 1 2 212.268 1.491 20 30 BDEDLO C[C@]1(C(N)=O)CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595468356 348258681 /nfs/dbraw/zinc/25/86/81/348258681.db2.gz YQJCUVUNKHKLHQ-OCCSQVGLSA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@]1(C(N)=O)CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595468356 348258684 /nfs/dbraw/zinc/25/86/84/348258684.db2.gz YQJCUVUNKHKLHQ-OCCSQVGLSA-N 1 2 243.310 1.449 20 30 BDEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CNC(=O)C1 ZINC000595332246 348228913 /nfs/dbraw/zinc/22/89/13/348228913.db2.gz HNOIQGNYWGWABR-LLVKDONJSA-N 1 2 247.298 1.131 20 30 BDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CNC(=O)C1 ZINC000595332246 348228916 /nfs/dbraw/zinc/22/89/16/348228916.db2.gz HNOIQGNYWGWABR-LLVKDONJSA-N 1 2 247.298 1.131 20 30 BDEDLO Cc1nc(CC[N@@H+](C)CC2(C#N)CCC2)no1 ZINC000595368805 348231187 /nfs/dbraw/zinc/23/11/87/348231187.db2.gz PBELQIJABSCWIS-UHFFFAOYSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1nc(CC[N@H+](C)CC2(C#N)CCC2)no1 ZINC000595368805 348231188 /nfs/dbraw/zinc/23/11/88/348231188.db2.gz PBELQIJABSCWIS-UHFFFAOYSA-N 1 2 234.303 1.546 20 30 BDEDLO C[C@@]1(C2CC2)C[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000595617202 348290035 /nfs/dbraw/zinc/29/00/35/348290035.db2.gz GKOAKEYBURBBMW-OCCSQVGLSA-N 1 2 247.342 1.931 20 30 BDEDLO C[C@@]1(C2CC2)C[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000595617202 348290036 /nfs/dbraw/zinc/29/00/36/348290036.db2.gz GKOAKEYBURBBMW-OCCSQVGLSA-N 1 2 247.342 1.931 20 30 BDEDLO C=CC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595709266 348320699 /nfs/dbraw/zinc/32/06/99/348320699.db2.gz XRDFYBBASWJRDT-UMSPYCQHSA-N 1 2 211.305 1.884 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000295924530 323183596 /nfs/dbraw/zinc/18/35/96/323183596.db2.gz GRZNAAQPVKLHRR-UHFFFAOYSA-N 1 2 237.324 1.155 20 30 BDEDLO C#CC[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000295924530 323183597 /nfs/dbraw/zinc/18/35/97/323183597.db2.gz GRZNAAQPVKLHRR-UHFFFAOYSA-N 1 2 237.324 1.155 20 30 BDEDLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839835 348373780 /nfs/dbraw/zinc/37/37/80/348373780.db2.gz MHDVMJCUCNRNPM-ZDUSSCGKSA-N 1 2 232.331 1.773 20 30 BDEDLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839835 348373783 /nfs/dbraw/zinc/37/37/83/348373783.db2.gz MHDVMJCUCNRNPM-ZDUSSCGKSA-N 1 2 232.331 1.773 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000595841996 348376676 /nfs/dbraw/zinc/37/66/76/348376676.db2.gz BJEOEMWBUBPRHT-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000595841996 348376680 /nfs/dbraw/zinc/37/66/80/348376680.db2.gz BJEOEMWBUBPRHT-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000595843247 348380555 /nfs/dbraw/zinc/38/05/55/348380555.db2.gz JQIBWOFRRVYVCZ-MJBXVCDLSA-N 1 2 249.358 1.085 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000595843247 348380557 /nfs/dbraw/zinc/38/05/57/348380557.db2.gz JQIBWOFRRVYVCZ-MJBXVCDLSA-N 1 2 249.358 1.085 20 30 BDEDLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844345 348381753 /nfs/dbraw/zinc/38/17/53/348381753.db2.gz SAOHEUHNMRSUAR-JQWIXIFHSA-N 1 2 222.288 1.174 20 30 BDEDLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844345 348381754 /nfs/dbraw/zinc/38/17/54/348381754.db2.gz SAOHEUHNMRSUAR-JQWIXIFHSA-N 1 2 222.288 1.174 20 30 BDEDLO CCOC(=O)CCCC[N@H+](CC)[C@H](C)C#N ZINC000595814111 348353656 /nfs/dbraw/zinc/35/36/56/348353656.db2.gz QSBAYHOYQJKKKO-LLVKDONJSA-N 1 2 226.320 1.954 20 30 BDEDLO CCOC(=O)CCCC[N@@H+](CC)[C@H](C)C#N ZINC000595814111 348353659 /nfs/dbraw/zinc/35/36/59/348353659.db2.gz QSBAYHOYQJKKKO-LLVKDONJSA-N 1 2 226.320 1.954 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595845068 348354499 /nfs/dbraw/zinc/35/44/99/348354499.db2.gz YHCXSRYXYNXBDD-DGCLKSJQSA-N 1 2 233.315 1.009 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595845068 348354502 /nfs/dbraw/zinc/35/45/02/348354502.db2.gz YHCXSRYXYNXBDD-DGCLKSJQSA-N 1 2 233.315 1.009 20 30 BDEDLO N#CCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595888268 348389182 /nfs/dbraw/zinc/38/91/82/348389182.db2.gz XBVNUBNKLYSMAZ-VIFPVBQESA-N 1 2 236.237 1.943 20 30 BDEDLO N#CCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595888268 348389183 /nfs/dbraw/zinc/38/91/83/348389183.db2.gz XBVNUBNKLYSMAZ-VIFPVBQESA-N 1 2 236.237 1.943 20 30 BDEDLO Cc1nnc(N(C)Cc2c[nH+]c[nH]2)c(C#N)c1C ZINC000596306423 348492106 /nfs/dbraw/zinc/49/21/06/348492106.db2.gz QAZYGGCSKWYQGM-UHFFFAOYSA-N 1 2 242.286 1.325 20 30 BDEDLO Cc1nnc(N(C)Cc2c[nH]c[nH+]2)c(C#N)c1C ZINC000596306423 348492108 /nfs/dbraw/zinc/49/21/08/348492108.db2.gz QAZYGGCSKWYQGM-UHFFFAOYSA-N 1 2 242.286 1.325 20 30 BDEDLO C=C(C)CCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596255869 348476149 /nfs/dbraw/zinc/47/61/49/348476149.db2.gz ZZPLMEPGWGXHEF-UHFFFAOYSA-N 1 2 234.299 1.597 20 30 BDEDLO C[C@@H](Nc1cnc(C#N)cn1)c1[nH+]ccn1C ZINC000596542452 348583545 /nfs/dbraw/zinc/58/35/45/348583545.db2.gz IHDXOUXGDCTIOT-MRVPVSSYSA-N 1 2 228.259 1.255 20 30 BDEDLO Cc1cc(NC[C@@H]2CCOC2(C)C)c(C#N)c[nH+]1 ZINC000596544221 348584405 /nfs/dbraw/zinc/58/44/05/348584405.db2.gz NKIMHAYNSGSADX-LBPRGKRZSA-N 1 2 245.326 1.911 20 30 BDEDLO C[C@@H](NC(=O)NCC1(C#N)CC1)c1[nH+]ccn1C ZINC000596587221 348592927 /nfs/dbraw/zinc/59/29/27/348592927.db2.gz QPMNBFFGYXLNND-SECBINFHSA-N 1 2 247.302 1.084 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597035384 348646336 /nfs/dbraw/zinc/64/63/36/348646336.db2.gz FIYHKLZIRNPXQW-TVQRCGJNSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597035384 348646338 /nfs/dbraw/zinc/64/63/38/348646338.db2.gz FIYHKLZIRNPXQW-TVQRCGJNSA-N 1 2 246.314 1.323 20 30 BDEDLO Cc1ccc2[nH+]cc(CN3CC(CC#N)C3)n2c1 ZINC000597194128 348671158 /nfs/dbraw/zinc/67/11/58/348671158.db2.gz OANAUZNZQVAJSY-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO Cc1ccc2ncc(C[NH+]3CC(CC#N)C3)n2c1 ZINC000597194128 348671159 /nfs/dbraw/zinc/67/11/59/348671159.db2.gz OANAUZNZQVAJSY-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO COC(=O)c1oc(C[NH2+]C[C@H](C)C#N)cc1C ZINC000597082871 348658880 /nfs/dbraw/zinc/65/88/80/348658880.db2.gz MUXLAGAPMBQXEG-MRVPVSSYSA-N 1 2 236.271 1.624 20 30 BDEDLO N#CC1(C[NH2+]Cc2cnc3n2CCC3)CCC1 ZINC000597154369 348665176 /nfs/dbraw/zinc/66/51/76/348665176.db2.gz PMMICKPZNNFKMI-UHFFFAOYSA-N 1 2 230.315 1.613 20 30 BDEDLO N#CC1(CNCc2c[nH+]c3n2CCC3)CCC1 ZINC000597154369 348665179 /nfs/dbraw/zinc/66/51/79/348665179.db2.gz PMMICKPZNNFKMI-UHFFFAOYSA-N 1 2 230.315 1.613 20 30 BDEDLO C=CCCn1cc(C[NH2+]CC2(C#N)CCC2)nn1 ZINC000597152496 348665507 /nfs/dbraw/zinc/66/55/07/348665507.db2.gz BVDMECRHXNEZAZ-UHFFFAOYSA-N 1 2 245.330 1.638 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)CC#N ZINC000597171521 348668440 /nfs/dbraw/zinc/66/84/40/348668440.db2.gz UFHOAYJZMGMGBV-MRVPVSSYSA-N 1 2 203.245 1.300 20 30 BDEDLO N#CCC1C[NH+](Cc2nc3c(s2)CCC3)C1 ZINC000597204158 348677927 /nfs/dbraw/zinc/67/79/27/348677927.db2.gz RORGVRMYTCXHAD-UHFFFAOYSA-N 1 2 233.340 1.977 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597189455 348686022 /nfs/dbraw/zinc/68/60/22/348686022.db2.gz UQUSJFBCQWMHLL-PWSUYJOCSA-N 1 2 246.314 1.110 20 30 BDEDLO Cn1cccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229564 348697469 /nfs/dbraw/zinc/69/74/69/348697469.db2.gz MKNSBWMRVZOQCK-LBPRGKRZSA-N 1 2 203.289 1.761 20 30 BDEDLO Cn1cccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229564 348697473 /nfs/dbraw/zinc/69/74/73/348697473.db2.gz MKNSBWMRVZOQCK-LBPRGKRZSA-N 1 2 203.289 1.761 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231335 348698837 /nfs/dbraw/zinc/69/88/37/348698837.db2.gz LAUTUWFUDPOONM-ZDUSSCGKSA-N 1 2 232.331 1.718 20 30 BDEDLO CCc1nn(C)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231335 348698840 /nfs/dbraw/zinc/69/88/40/348698840.db2.gz LAUTUWFUDPOONM-ZDUSSCGKSA-N 1 2 232.331 1.718 20 30 BDEDLO C[C@H](CC#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000597267057 348703172 /nfs/dbraw/zinc/70/31/72/348703172.db2.gz QXGHJRSAOVCEEA-LLVKDONJSA-N 1 2 246.314 1.550 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597858969 348829068 /nfs/dbraw/zinc/82/90/68/348829068.db2.gz XUWSHKSTJMWABS-LLVKDONJSA-N 1 2 220.276 1.308 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597858969 348829072 /nfs/dbraw/zinc/82/90/72/348829072.db2.gz XUWSHKSTJMWABS-LLVKDONJSA-N 1 2 220.276 1.308 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C#N)CCC1 ZINC000597862375 348836004 /nfs/dbraw/zinc/83/60/04/348836004.db2.gz IHOMZOXDVAYYAS-UHFFFAOYSA-N 1 2 218.260 1.062 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C#N)CCC1 ZINC000597862375 348836008 /nfs/dbraw/zinc/83/60/08/348836008.db2.gz IHOMZOXDVAYYAS-UHFFFAOYSA-N 1 2 218.260 1.062 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C#N)CCCC1 ZINC000597864115 348836188 /nfs/dbraw/zinc/83/61/88/348836188.db2.gz NHIRULHYHZOSKX-UHFFFAOYSA-N 1 2 232.287 1.452 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C#N)CCCC1 ZINC000597864115 348836192 /nfs/dbraw/zinc/83/61/92/348836192.db2.gz NHIRULHYHZOSKX-UHFFFAOYSA-N 1 2 232.287 1.452 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000054181508 348896540 /nfs/dbraw/zinc/89/65/40/348896540.db2.gz VFSIDTJDRGEWPG-SSDOTTSWSA-N 1 2 225.273 1.906 20 30 BDEDLO C[C@H](C#N)N(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000598136475 348904292 /nfs/dbraw/zinc/90/42/92/348904292.db2.gz GUKYLIFTFZUKPA-SECBINFHSA-N 1 2 232.287 1.245 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000598137096 348904346 /nfs/dbraw/zinc/90/43/46/348904346.db2.gz LQCUELVTFSIPMK-NXEZZACHSA-N 1 2 246.314 1.491 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000598137096 348904347 /nfs/dbraw/zinc/90/43/47/348904347.db2.gz LQCUELVTFSIPMK-NXEZZACHSA-N 1 2 246.314 1.491 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000598138652 348905984 /nfs/dbraw/zinc/90/59/84/348905984.db2.gz SCZZDYMBXPIRML-VIFPVBQESA-N 1 2 232.287 1.245 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000598138652 348905986 /nfs/dbraw/zinc/90/59/86/348905986.db2.gz SCZZDYMBXPIRML-VIFPVBQESA-N 1 2 232.287 1.245 20 30 BDEDLO CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)C#N ZINC000598627130 349004679 /nfs/dbraw/zinc/00/46/79/349004679.db2.gz DQWNMWHLXZFRJK-WDEREUQCSA-N 1 2 223.320 1.521 20 30 BDEDLO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)C#N ZINC000598627130 349004684 /nfs/dbraw/zinc/00/46/84/349004684.db2.gz DQWNMWHLXZFRJK-WDEREUQCSA-N 1 2 223.320 1.521 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)C#N ZINC000598739286 349035991 /nfs/dbraw/zinc/03/59/91/349035991.db2.gz XHIGHCODKUVONL-VIFPVBQESA-N 1 2 234.303 1.630 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCC#N ZINC000598739040 349036364 /nfs/dbraw/zinc/03/63/64/349036364.db2.gz UUQZXPMQUIXIID-JTQLQIEISA-N 1 2 234.303 1.774 20 30 BDEDLO C[N@@H+]1CCOC[C@H]1CNc1cccc(F)c1C#N ZINC000599160830 349108463 /nfs/dbraw/zinc/10/84/63/349108463.db2.gz PRHZOOWZBVKTJQ-SNVBAGLBSA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCOC[C@H]1CNc1cccc(F)c1C#N ZINC000599160830 349108466 /nfs/dbraw/zinc/10/84/66/349108466.db2.gz PRHZOOWZBVKTJQ-SNVBAGLBSA-N 1 2 249.289 1.440 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000598941180 349062739 /nfs/dbraw/zinc/06/27/39/349062739.db2.gz VWDWHIZRENHNJE-UHFFFAOYSA-N 1 2 228.255 1.433 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000598941180 349062744 /nfs/dbraw/zinc/06/27/44/349062744.db2.gz VWDWHIZRENHNJE-UHFFFAOYSA-N 1 2 228.255 1.433 20 30 BDEDLO CN1c2ccccc2C[N@H+](CCCC#N)CC1=O ZINC000598947024 349065060 /nfs/dbraw/zinc/06/50/60/349065060.db2.gz LNPGPQKAOBMBSN-UHFFFAOYSA-N 1 2 243.310 1.769 20 30 BDEDLO CN1c2ccccc2C[N@@H+](CCCC#N)CC1=O ZINC000598947024 349065062 /nfs/dbraw/zinc/06/50/62/349065062.db2.gz LNPGPQKAOBMBSN-UHFFFAOYSA-N 1 2 243.310 1.769 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000600110036 349289799 /nfs/dbraw/zinc/28/97/99/349289799.db2.gz OGHNVIRVUJHHFW-JTQLQIEISA-N 1 2 248.330 1.927 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CC(O)(CC)CC ZINC000599673925 349242323 /nfs/dbraw/zinc/24/23/23/349242323.db2.gz WGPLNMDDZGXKEQ-JTQLQIEISA-N 1 2 229.320 1.197 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CC(O)(CC)CC ZINC000599673925 349242326 /nfs/dbraw/zinc/24/23/26/349242326.db2.gz WGPLNMDDZGXKEQ-JTQLQIEISA-N 1 2 229.320 1.197 20 30 BDEDLO COCC1(C2CC2)C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000601962675 349402256 /nfs/dbraw/zinc/40/22/56/349402256.db2.gz NXADSBXLRCDADD-GFCCVEGCSA-N 1 2 247.342 1.788 20 30 BDEDLO N#CC1(C(=O)N2CCn3c[nH+]cc3C2)CCCC1 ZINC000290972659 349425438 /nfs/dbraw/zinc/42/54/38/349425438.db2.gz UBEJNCPXLBTHNH-UHFFFAOYSA-N 1 2 244.298 1.309 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(C)C[C@H](C)C#N)[nH+]1 ZINC000602083614 349431731 /nfs/dbraw/zinc/43/17/31/349431731.db2.gz NWKZRHWXRCVODF-SECBINFHSA-N 1 2 234.303 1.133 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000602083414 349431744 /nfs/dbraw/zinc/43/17/44/349431744.db2.gz YOZYBKRUDYDXRQ-RKDXNWHRSA-N 1 2 230.271 1.076 20 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20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C)no1 ZINC000335184230 350303792 /nfs/dbraw/zinc/30/37/92/350303792.db2.gz QCQJFHXBNZTBPC-SNVBAGLBSA-N 1 2 207.277 1.919 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C)no1 ZINC000335184230 350303795 /nfs/dbraw/zinc/30/37/95/350303795.db2.gz QCQJFHXBNZTBPC-SNVBAGLBSA-N 1 2 207.277 1.919 20 30 BDEDLO CCn1cc[nH+]c1CN(CC#N)C1CC1 ZINC000336653933 350420791 /nfs/dbraw/zinc/42/07/91/350420791.db2.gz ZIOLQKJRGAEQSX-UHFFFAOYSA-N 1 2 204.277 1.391 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000336688451 350444495 /nfs/dbraw/zinc/44/44/95/350444495.db2.gz AJBGQXGBILRSBB-NSHDSACASA-N 1 2 245.330 1.317 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000336688451 350444497 /nfs/dbraw/zinc/44/44/97/350444497.db2.gz AJBGQXGBILRSBB-NSHDSACASA-N 1 2 245.330 1.317 20 30 BDEDLO CC[C@@H](SC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577573039 365986108 /nfs/dbraw/zinc/98/61/08/365986108.db2.gz IHWZSIXOVBEQCA-MWLCHTKSSA-N 1 2 243.376 1.088 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC000339764641 350823796 /nfs/dbraw/zinc/82/37/96/350823796.db2.gz WHMVDAZHHRYAEB-CYBMUJFWSA-N 1 2 236.359 1.733 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC000339764641 350823800 /nfs/dbraw/zinc/82/38/00/350823800.db2.gz WHMVDAZHHRYAEB-CYBMUJFWSA-N 1 2 236.359 1.733 20 30 BDEDLO CC#CC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000336683287 350911601 /nfs/dbraw/zinc/91/16/01/350911601.db2.gz QCEZCZBEHFXYBP-GFCCVEGCSA-N 1 2 219.288 1.616 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](SC)C1 ZINC000382981904 351121248 /nfs/dbraw/zinc/12/12/48/351121248.db2.gz UOWAVYUGQDYXMW-IUCAKERBSA-N 1 2 215.318 1.151 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](SC)C1 ZINC000382981904 351121251 /nfs/dbraw/zinc/12/12/51/351121251.db2.gz UOWAVYUGQDYXMW-IUCAKERBSA-N 1 2 215.318 1.151 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C(=O)CC(C)(C)C#N ZINC000278601380 351772418 /nfs/dbraw/zinc/77/24/18/351772418.db2.gz VEMXNRREUMWLLK-UHFFFAOYSA-N 1 2 234.303 1.318 20 30 BDEDLO N#CCN(C(=O)CCc1[nH]cc[nH+]1)C1CCCC1 ZINC000279549723 351816155 /nfs/dbraw/zinc/81/61/55/351816155.db2.gz XPCGRPYTLICLJI-UHFFFAOYSA-N 1 2 246.314 1.637 20 30 BDEDLO NC(=[NH+]OCc1nccs1)[C@H]1CCCO1 ZINC000284418703 351997051 /nfs/dbraw/zinc/99/70/51/351997051.db2.gz ODAMJORAYDRXHY-SSDOTTSWSA-N 1 2 227.289 1.111 20 30 BDEDLO C=C(Br)C[N@@H+](C)C[C@@H](C)OC ZINC000285740408 352057926 /nfs/dbraw/zinc/05/79/26/352057926.db2.gz QJWXAHQHVIHFGM-MRVPVSSYSA-N 1 2 222.126 1.862 20 30 BDEDLO C=C(Br)C[N@H+](C)C[C@@H](C)OC ZINC000285740408 352057929 /nfs/dbraw/zinc/05/79/29/352057929.db2.gz QJWXAHQHVIHFGM-MRVPVSSYSA-N 1 2 222.126 1.862 20 30 BDEDLO C=CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000353503568 352136250 /nfs/dbraw/zinc/13/62/50/352136250.db2.gz RZXNZPMLARHXJF-UHFFFAOYSA-N 1 2 233.315 1.767 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)C(C)(C)C ZINC000292130208 352303820 /nfs/dbraw/zinc/30/38/20/352303820.db2.gz IQHFLPZIDQPFNG-LLVKDONJSA-N 1 2 210.321 1.795 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)C(C)(C)C ZINC000292130208 352303823 /nfs/dbraw/zinc/30/38/23/352303823.db2.gz IQHFLPZIDQPFNG-LLVKDONJSA-N 1 2 210.321 1.795 20 30 BDEDLO C=CCN(CCC#N)CCn1cc[nH+]c1 ZINC000292256310 352310440 /nfs/dbraw/zinc/31/04/40/352310440.db2.gz RDIUDWOVDSYNCB-UHFFFAOYSA-N 1 2 204.277 1.285 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCc1cncs1 ZINC000411321661 191178168 /nfs/dbraw/zinc/17/81/68/191178168.db2.gz UZLFPXSQLVVXAY-VIFPVBQESA-N 1 2 209.318 1.920 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCc1cncs1 ZINC000411321661 191178169 /nfs/dbraw/zinc/17/81/69/191178169.db2.gz UZLFPXSQLVVXAY-VIFPVBQESA-N 1 2 209.318 1.920 20 30 BDEDLO CC[C@@H](C)[C@@H]1CN(CCC#N)CC[N@@H+]1CCC#N ZINC000411403408 191184891 /nfs/dbraw/zinc/18/48/91/191184891.db2.gz UPIRMAWCPBMECE-KGLIPLIRSA-N 1 2 248.374 1.846 20 30 BDEDLO CC[C@@H](C)[C@@H]1CN(CCC#N)CC[N@H+]1CCC#N ZINC000411403408 191184893 /nfs/dbraw/zinc/18/48/93/191184893.db2.gz UPIRMAWCPBMECE-KGLIPLIRSA-N 1 2 248.374 1.846 20 30 BDEDLO CC#CC[N@@H+](C)Cc1csc(C(=O)OC)c1 ZINC000411775218 191210870 /nfs/dbraw/zinc/21/08/70/191210870.db2.gz XIJUEDQWXTXMLZ-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO CC#CC[N@H+](C)Cc1csc(C(=O)OC)c1 ZINC000411775218 191210871 /nfs/dbraw/zinc/21/08/71/191210871.db2.gz XIJUEDQWXTXMLZ-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cccc(OC)n1 ZINC000167899942 188059207 /nfs/dbraw/zinc/05/92/07/188059207.db2.gz RXBLYPIKIDLHDL-UHFFFAOYSA-N 1 2 212.680 1.932 20 30 BDEDLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[C@@H]1O ZINC000329291106 538108823 /nfs/dbraw/zinc/10/88/23/538108823.db2.gz QSXUADLSNLHDLG-ONGXEEELSA-N 1 2 237.303 1.460 20 30 BDEDLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@@H]1O ZINC000329291106 538108824 /nfs/dbraw/zinc/10/88/24/538108824.db2.gz QSXUADLSNLHDLG-ONGXEEELSA-N 1 2 237.303 1.460 20 30 BDEDLO C#CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272457875 188090672 /nfs/dbraw/zinc/09/06/72/188090672.db2.gz CYZKKUVWPIFCNP-UHFFFAOYSA-N 1 2 237.306 1.864 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274271839 188091692 /nfs/dbraw/zinc/09/16/92/188091692.db2.gz HTXOMJPPUHJORD-NEPJUHHUSA-N 1 2 235.331 1.990 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274156131 188091734 /nfs/dbraw/zinc/09/17/34/188091734.db2.gz FWPVETRAHFKEIN-JTQLQIEISA-N 1 2 243.738 1.275 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274156131 188091736 /nfs/dbraw/zinc/09/17/36/188091736.db2.gz FWPVETRAHFKEIN-JTQLQIEISA-N 1 2 243.738 1.275 20 30 BDEDLO C#CCN(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000273916353 188091913 /nfs/dbraw/zinc/09/19/13/188091913.db2.gz HZGDYVUCSNNRQL-UHFFFAOYSA-N 1 2 246.314 1.080 20 30 BDEDLO Cn1cncc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329647572 538109345 /nfs/dbraw/zinc/10/93/45/538109345.db2.gz BJPKKQSMTZRXIL-QMMMGPOBSA-N 1 2 245.286 1.005 20 30 BDEDLO Cn1cncc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329647572 538109346 /nfs/dbraw/zinc/10/93/46/538109346.db2.gz BJPKKQSMTZRXIL-QMMMGPOBSA-N 1 2 245.286 1.005 20 30 BDEDLO C#CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000275688231 188093147 /nfs/dbraw/zinc/09/31/47/188093147.db2.gz IQOUDKPSYSHPGU-ZDUSSCGKSA-N 1 2 249.285 1.523 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCc1[nH+]ccn1C ZINC000276185018 188093592 /nfs/dbraw/zinc/09/35/92/188093592.db2.gz SWFXIYJLZQVOGR-GFCCVEGCSA-N 1 2 221.304 1.639 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000267441378 188088333 /nfs/dbraw/zinc/08/83/33/188088333.db2.gz CHLBTXRMKLKOEB-ZETCQYMHSA-N 1 2 229.629 1.738 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000267441378 188088335 /nfs/dbraw/zinc/08/83/35/188088335.db2.gz CHLBTXRMKLKOEB-ZETCQYMHSA-N 1 2 229.629 1.738 20 30 BDEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)CC2)[nH]1 ZINC000330845971 353193423 /nfs/dbraw/zinc/19/34/23/353193423.db2.gz YDKSZOZWMKEVRS-UHFFFAOYSA-N 1 2 247.298 1.537 20 30 BDEDLO C[C@@H](CC#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330952129 353203194 /nfs/dbraw/zinc/20/31/94/353203194.db2.gz KXODZFSXVFHPKQ-DTWKUNHWSA-N 1 2 232.287 1.248 20 30 BDEDLO C[C@@H](CC#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330952129 353203196 /nfs/dbraw/zinc/20/31/96/353203196.db2.gz KXODZFSXVFHPKQ-DTWKUNHWSA-N 1 2 232.287 1.248 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(CCOC)no1 ZINC000151092542 188148665 /nfs/dbraw/zinc/14/86/65/188148665.db2.gz ONAARIMYGIJACU-UHFFFAOYSA-N 1 2 225.292 1.266 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(CCOC)no1 ZINC000151092542 188148666 /nfs/dbraw/zinc/14/86/66/188148666.db2.gz ONAARIMYGIJACU-UHFFFAOYSA-N 1 2 225.292 1.266 20 30 BDEDLO CC1=CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000331214013 353230729 /nfs/dbraw/zinc/23/07/29/353230729.db2.gz AYPKNAORWVLEBY-UHFFFAOYSA-N 1 2 248.330 1.839 20 30 BDEDLO CC1=CCCN(C([O-])=[NH+]CCCn2cc[nH+]c2)C1 ZINC000331214013 353230731 /nfs/dbraw/zinc/23/07/31/353230731.db2.gz AYPKNAORWVLEBY-UHFFFAOYSA-N 1 2 248.330 1.839 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000053814557 353250823 /nfs/dbraw/zinc/25/08/23/353250823.db2.gz QFZNWXRGONIMPO-UHFFFAOYSA-N 1 2 209.249 1.039 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000053814557 353250824 /nfs/dbraw/zinc/25/08/24/353250824.db2.gz QFZNWXRGONIMPO-UHFFFAOYSA-N 1 2 209.249 1.039 20 30 BDEDLO C=C(C)COCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134592512 538113599 /nfs/dbraw/zinc/11/35/99/538113599.db2.gz PULCMKFQSXWERG-JTQLQIEISA-N 1 2 223.320 1.961 20 30 BDEDLO CC#CC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000275000464 188201002 /nfs/dbraw/zinc/20/10/02/188201002.db2.gz PJPGUVWBOYMOFG-WDEREUQCSA-N 1 2 209.289 1.283 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000275000464 188201003 /nfs/dbraw/zinc/20/10/03/188201003.db2.gz PJPGUVWBOYMOFG-WDEREUQCSA-N 1 2 209.289 1.283 20 30 BDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCCC#N ZINC000071014504 353262612 /nfs/dbraw/zinc/26/26/12/353262612.db2.gz BATSUYNQBVNGPC-LLVKDONJSA-N 1 2 224.304 1.708 20 30 BDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCCC#N ZINC000071014504 353262615 /nfs/dbraw/zinc/26/26/15/353262615.db2.gz BATSUYNQBVNGPC-LLVKDONJSA-N 1 2 224.304 1.708 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1cnccn1 ZINC000251287136 353283158 /nfs/dbraw/zinc/28/31/58/353283158.db2.gz UDGSIHIQFJRQTD-GARJFASQSA-N 1 2 216.288 1.819 20 30 BDEDLO C=CC[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000076061739 353330846 /nfs/dbraw/zinc/33/08/46/353330846.db2.gz SGQOMOCGUQAMFF-UHFFFAOYSA-N 1 2 238.360 1.409 20 30 BDEDLO Cc1cc(N2CCC[C@](C)(O)C2)c(C#N)c[nH+]1 ZINC000398962763 353386891 /nfs/dbraw/zinc/38/68/91/353386891.db2.gz OHHVZVYNGVLXFP-ZDUSSCGKSA-N 1 2 231.299 1.613 20 30 BDEDLO C=CCCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000280007040 353420630 /nfs/dbraw/zinc/42/06/30/353420630.db2.gz DRUSKTGMRCALQJ-UHFFFAOYSA-N 1 2 235.331 1.777 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276478883 353418195 /nfs/dbraw/zinc/41/81/95/353418195.db2.gz RNYNLLUILDWELU-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276478883 353418197 /nfs/dbraw/zinc/41/81/97/353418197.db2.gz RNYNLLUILDWELU-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO C#CC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191203691 353448578 /nfs/dbraw/zinc/44/85/78/353448578.db2.gz TTZZDACSHNYZOM-LLVKDONJSA-N 1 2 221.329 1.143 20 30 BDEDLO C#CC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191203691 353448580 /nfs/dbraw/zinc/44/85/80/353448580.db2.gz TTZZDACSHNYZOM-LLVKDONJSA-N 1 2 221.329 1.143 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccco2)C1=O ZINC000281107962 353429741 /nfs/dbraw/zinc/42/97/41/353429741.db2.gz AZSOIAMJZXMAOE-GFCCVEGCSA-N 1 2 234.299 1.498 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000281107962 353429743 /nfs/dbraw/zinc/42/97/43/353429743.db2.gz AZSOIAMJZXMAOE-GFCCVEGCSA-N 1 2 234.299 1.498 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000336753431 166383033 /nfs/dbraw/zinc/38/30/33/166383033.db2.gz WIDWGDJUXBOGRF-RKDXNWHRSA-N 1 2 223.276 1.016 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(OC)nn1)C1CC1 ZINC000283167927 353491952 /nfs/dbraw/zinc/49/19/52/353491952.db2.gz PKOBQNYXGBKCRG-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C#CC[N@H+](Cc1ccc(OC)nn1)C1CC1 ZINC000283167927 353491954 /nfs/dbraw/zinc/49/19/54/353491954.db2.gz PKOBQNYXGBKCRG-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000191861983 353514688 /nfs/dbraw/zinc/51/46/88/353514688.db2.gz XXLIVSILZMTXHS-CYBMUJFWSA-N 1 2 215.296 1.759 20 30 BDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000191861983 353514689 /nfs/dbraw/zinc/51/46/89/353514689.db2.gz XXLIVSILZMTXHS-CYBMUJFWSA-N 1 2 215.296 1.759 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000192233048 353538348 /nfs/dbraw/zinc/53/83/48/353538348.db2.gz IDKQENUNIWWZNK-UHFFFAOYSA-N 1 2 216.284 1.499 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000192233048 353538351 /nfs/dbraw/zinc/53/83/51/353538351.db2.gz IDKQENUNIWWZNK-UHFFFAOYSA-N 1 2 216.284 1.499 20 30 BDEDLO C=CCC[N@@H+](C)Cc1noc(CCOC)n1 ZINC000289642390 353624210 /nfs/dbraw/zinc/62/42/10/353624210.db2.gz WSNPMELIIUFDQT-UHFFFAOYSA-N 1 2 225.292 1.266 20 30 BDEDLO C=CCC[N@H+](C)Cc1noc(CCOC)n1 ZINC000289642390 353624212 /nfs/dbraw/zinc/62/42/12/353624212.db2.gz WSNPMELIIUFDQT-UHFFFAOYSA-N 1 2 225.292 1.266 20 30 BDEDLO CCN(CC#N)Cc1[nH+]ccc(OC)c1OC ZINC000232195753 353705350 /nfs/dbraw/zinc/70/53/50/353705350.db2.gz AGWNUPKLRMSJMD-UHFFFAOYSA-N 1 2 235.287 1.444 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccc(C(=O)OC)s1 ZINC000293094987 353732266 /nfs/dbraw/zinc/73/22/66/353732266.db2.gz KRJMKXWHUVLRRM-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccc(C(=O)OC)s1 ZINC000293094987 353732267 /nfs/dbraw/zinc/73/22/67/353732267.db2.gz KRJMKXWHUVLRRM-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO CC#CCN(C)c1cc(C)[nH+]c(CC)n1 ZINC000293915136 353763448 /nfs/dbraw/zinc/76/34/48/353763448.db2.gz DIGKUYUPJFMFPV-UHFFFAOYSA-N 1 2 203.289 1.807 20 30 BDEDLO C#CCO[C@@H](C)C(=O)Nc1cc[nH+]cc1CC ZINC000296007119 353814150 /nfs/dbraw/zinc/81/41/50/353814150.db2.gz YELJULQKYVNKAU-JTQLQIEISA-N 1 2 232.283 1.621 20 30 BDEDLO C#CCO[C@H](C)C(=O)OCc1c[nH+]ccc1OC ZINC000296687207 353831035 /nfs/dbraw/zinc/83/10/35/353831035.db2.gz BGCIPDAZBPYDLZ-SNVBAGLBSA-N 1 2 249.266 1.172 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1c[nH+]ccc1OC ZINC000294739166 353787413 /nfs/dbraw/zinc/78/74/13/353787413.db2.gz YBLJGRVQMCTXBK-UHFFFAOYSA-N 1 2 246.310 1.756 20 30 BDEDLO C=C[C@H]([NH2+]CC1C(C)(C)C1(C)C)C(=O)OC ZINC000300990422 363268527 /nfs/dbraw/zinc/26/85/27/363268527.db2.gz FTPUKIJABWGIGP-VIFPVBQESA-N 1 2 225.332 1.986 20 30 BDEDLO C=C(C)C[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343910916 354038904 /nfs/dbraw/zinc/03/89/04/354038904.db2.gz RDGBJSYZBIJYHD-AWEZNQCLSA-N 1 2 244.338 1.606 20 30 BDEDLO C=C(C)C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343910916 354038907 /nfs/dbraw/zinc/03/89/07/354038907.db2.gz RDGBJSYZBIJYHD-AWEZNQCLSA-N 1 2 244.338 1.606 20 30 BDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000311201083 181097654 /nfs/dbraw/zinc/09/76/54/181097654.db2.gz HQCOBGKOWNXUFO-UHFFFAOYSA-N 1 2 245.282 1.071 20 30 BDEDLO C=CC[N@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000334643116 354400052 /nfs/dbraw/zinc/40/00/52/354400052.db2.gz FCTGAKPANSULHH-LLVKDONJSA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[N@@H+]1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000334643116 354400054 /nfs/dbraw/zinc/40/00/54/354400054.db2.gz FCTGAKPANSULHH-LLVKDONJSA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[N@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000334643116 354400056 /nfs/dbraw/zinc/40/00/56/354400056.db2.gz FCTGAKPANSULHH-LLVKDONJSA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[N@@H+]1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000334643116 354400057 /nfs/dbraw/zinc/40/00/57/354400057.db2.gz FCTGAKPANSULHH-LLVKDONJSA-N 1 2 248.330 1.050 20 30 BDEDLO N#Cc1cccc(C[NH2+]Cc2csnn2)c1 ZINC000037748862 181137966 /nfs/dbraw/zinc/13/79/66/181137966.db2.gz QWTXNTWHJHNSSL-UHFFFAOYSA-N 1 2 230.296 1.700 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CCSC[C@@H]1CO ZINC000334589167 181145030 /nfs/dbraw/zinc/14/50/30/181145030.db2.gz FVYLAOOIDCBVSQ-ZDUSSCGKSA-N 1 2 248.351 1.468 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000334589167 181145032 /nfs/dbraw/zinc/14/50/32/181145032.db2.gz FVYLAOOIDCBVSQ-ZDUSSCGKSA-N 1 2 248.351 1.468 20 30 BDEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368331602 181149363 /nfs/dbraw/zinc/14/93/63/181149363.db2.gz FMFNDERXTAITNP-OCCSQVGLSA-N 1 2 244.294 1.410 20 30 BDEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368331602 181149365 /nfs/dbraw/zinc/14/93/65/181149365.db2.gz FMFNDERXTAITNP-OCCSQVGLSA-N 1 2 244.294 1.410 20 30 BDEDLO C=C[C@H]([NH2+]C[C@]1(C)CCCS1)C(=O)OC ZINC000301044542 363374740 /nfs/dbraw/zinc/37/47/40/363374740.db2.gz MPZQLMBDEVCRJJ-ONGXEEELSA-N 1 2 229.345 1.589 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1CCCC1)C(=O)OC ZINC000301048169 363380904 /nfs/dbraw/zinc/38/09/04/363380904.db2.gz QFZMBEUDAIHZHS-LLVKDONJSA-N 1 2 211.305 1.884 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000301052990 363394709 /nfs/dbraw/zinc/39/47/09/363394709.db2.gz XGWWQFFRAZSJBH-PWSUYJOCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@](C)(OC)C1 ZINC000301052990 363394715 /nfs/dbraw/zinc/39/47/15/363394715.db2.gz XGWWQFFRAZSJBH-PWSUYJOCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H](CC)CSC)C(=O)OC ZINC000301050410 363395003 /nfs/dbraw/zinc/39/50/03/363395003.db2.gz SKVYUDFBFFDKTJ-DTWKUNHWSA-N 1 2 217.334 1.445 20 30 BDEDLO C=C[C@H]([NH2+][C@H](CC)CSC)C(=O)OC ZINC000301050409 363395486 /nfs/dbraw/zinc/39/54/86/363395486.db2.gz SKVYUDFBFFDKTJ-BDAKNGLRSA-N 1 2 217.334 1.445 20 30 BDEDLO N#Cc1cscc1C(=O)NCc1[nH]cc[nH+]1 ZINC000336368714 181166513 /nfs/dbraw/zinc/16/65/13/181166513.db2.gz ONKPEJQRNKCFOK-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000346857443 355117404 /nfs/dbraw/zinc/11/74/04/355117404.db2.gz QPJDKHVFTKRXID-LLVKDONJSA-N 1 2 233.315 1.480 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCCC#N ZINC000346957143 355168284 /nfs/dbraw/zinc/16/82/84/355168284.db2.gz FOMITKCUUMFUMJ-RULNRJAQSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCCC#N ZINC000346957143 355168285 /nfs/dbraw/zinc/16/82/85/355168285.db2.gz FOMITKCUUMFUMJ-RULNRJAQSA-N 1 2 214.334 1.131 20 30 BDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccco1 ZINC000346880688 355143247 /nfs/dbraw/zinc/14/32/47/355143247.db2.gz JDCHURUVJCHCPI-UHFFFAOYSA-N 1 2 247.298 1.274 20 30 BDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccco1 ZINC000346880688 355143250 /nfs/dbraw/zinc/14/32/50/355143250.db2.gz JDCHURUVJCHCPI-UHFFFAOYSA-N 1 2 247.298 1.274 20 30 BDEDLO C=C(C)CN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413244891 191366111 /nfs/dbraw/zinc/36/61/11/191366111.db2.gz XHKLFBSWPKGAOP-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C=C(C)CN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413244891 191366114 /nfs/dbraw/zinc/36/61/14/191366114.db2.gz XHKLFBSWPKGAOP-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO N#CCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413237048 191366233 /nfs/dbraw/zinc/36/62/33/191366233.db2.gz HIWBYBKYFJQSRX-UHFFFAOYSA-N 1 2 217.276 1.767 20 30 BDEDLO N#CCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413237048 191366236 /nfs/dbraw/zinc/36/62/36/191366236.db2.gz HIWBYBKYFJQSRX-UHFFFAOYSA-N 1 2 217.276 1.767 20 30 BDEDLO CC(C)O[NH+]=C(N)COc1ccccc1F ZINC000186864001 535292607 /nfs/dbraw/zinc/29/26/07/535292607.db2.gz BLUCPIKODOTNJR-UHFFFAOYSA-N 1 2 226.251 1.902 20 30 BDEDLO Cc1cc(N2CC[C@@](C)(O)C2)c(C#N)c[nH+]1 ZINC000399202737 355848274 /nfs/dbraw/zinc/84/82/74/355848274.db2.gz UQIGSPASPQAULY-GFCCVEGCSA-N 1 2 217.272 1.223 20 30 BDEDLO Cc1nnc([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)[nH]1 ZINC000329187387 355902081 /nfs/dbraw/zinc/90/20/81/355902081.db2.gz GUIBFEATPVTVBC-NSHDSACASA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1nnc([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)[nH]1 ZINC000329187387 355902087 /nfs/dbraw/zinc/90/20/87/355902087.db2.gz GUIBFEATPVTVBC-NSHDSACASA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000329187387 355902092 /nfs/dbraw/zinc/90/20/92/355902092.db2.gz GUIBFEATPVTVBC-NSHDSACASA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000329187387 355902095 /nfs/dbraw/zinc/90/20/95/355902095.db2.gz GUIBFEATPVTVBC-NSHDSACASA-N 1 2 245.330 1.596 20 30 BDEDLO Cc1cc(C)c(NC(=O)c2cnnn2C)c(C)[nH+]1 ZINC000329260372 355908087 /nfs/dbraw/zinc/90/80/87/355908087.db2.gz FPJNOZDFTKWGSB-UHFFFAOYSA-N 1 2 245.286 1.772 20 30 BDEDLO O=C(N[C@H]1CCCOC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329457084 355922261 /nfs/dbraw/zinc/92/22/61/355922261.db2.gz NRFZHDIUKKIMEB-MNOVXSKESA-N 1 2 249.314 1.581 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087832693 356030880 /nfs/dbraw/zinc/03/08/80/356030880.db2.gz YGPVSFTUXHMMJY-UHFFFAOYSA-N 1 2 248.282 1.172 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087832693 356030885 /nfs/dbraw/zinc/03/08/85/356030885.db2.gz YGPVSFTUXHMMJY-UHFFFAOYSA-N 1 2 248.282 1.172 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2ccnc2C1 ZINC000351564419 356018467 /nfs/dbraw/zinc/01/84/67/356018467.db2.gz SRTWLUIJSFZMTO-LLVKDONJSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCn2ccnc2C1 ZINC000351564419 356018470 /nfs/dbraw/zinc/01/84/70/356018470.db2.gz SRTWLUIJSFZMTO-LLVKDONJSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000351564419 356018474 /nfs/dbraw/zinc/01/84/74/356018474.db2.gz SRTWLUIJSFZMTO-LLVKDONJSA-N 1 2 221.304 1.026 20 30 BDEDLO C=C(C)C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000335916954 356160280 /nfs/dbraw/zinc/16/02/80/356160280.db2.gz VJCWZZXUTHOKQB-LLVKDONJSA-N 1 2 236.340 1.797 20 30 BDEDLO C=C(C)C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000335916954 356160281 /nfs/dbraw/zinc/16/02/81/356160281.db2.gz VJCWZZXUTHOKQB-LLVKDONJSA-N 1 2 236.340 1.797 20 30 BDEDLO Cc1[nH]c(C(=O)NC[C@H]2CCCC2=O)c[nH+]1 ZINC000330039640 356162663 /nfs/dbraw/zinc/16/26/63/356162663.db2.gz BAYSVSKGDSTQIE-MRVPVSSYSA-N 1 2 221.260 1.392 20 30 BDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccc2[nH+]ccn2c1 ZINC000330069145 356167541 /nfs/dbraw/zinc/16/75/41/356167541.db2.gz WBVANMUUTHOHHJ-IAZYJMLFSA-N 1 2 243.266 1.284 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCCC1=O ZINC000330063311 356167776 /nfs/dbraw/zinc/16/77/76/356167776.db2.gz PZJMJDOYNYOXDR-SNVBAGLBSA-N 1 2 249.314 1.678 20 30 BDEDLO CC1(C)C[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330182620 356179942 /nfs/dbraw/zinc/17/99/42/356179942.db2.gz PCMUDYBFRUINNB-UWVGGRQHSA-N 1 2 248.330 1.500 20 30 BDEDLO CC1(C)C[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330182620 356179944 /nfs/dbraw/zinc/17/99/44/356179944.db2.gz PCMUDYBFRUINNB-UWVGGRQHSA-N 1 2 248.330 1.500 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCCO1 ZINC000330245064 356191528 /nfs/dbraw/zinc/19/15/28/356191528.db2.gz KOTKNXNIMPCUSO-MNOVXSKESA-N 1 2 249.314 1.724 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000330248607 356192007 /nfs/dbraw/zinc/19/20/07/356192007.db2.gz MIMWUWTVAVLRNN-ZJUUUORDSA-N 1 2 235.287 1.333 20 30 BDEDLO C=CC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000617779411 356351401 /nfs/dbraw/zinc/35/14/01/356351401.db2.gz ADERJBKSPPXJPO-GFCCVEGCSA-N 1 2 247.342 1.777 20 30 BDEDLO CC(C)(C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623169 356403628 /nfs/dbraw/zinc/40/36/28/356403628.db2.gz QYAHXWNHODUMCY-UHFFFAOYSA-N 1 2 228.255 1.823 20 30 BDEDLO Cn1ncc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000336165608 134112890 /nfs/dbraw/zinc/11/28/90/134112890.db2.gz JKOXUAORRODXIN-UHFFFAOYSA-N 1 2 238.722 1.809 20 30 BDEDLO Cc1cc(NCCOC(C)(C)C)c(C#N)c[nH+]1 ZINC000399376222 356477619 /nfs/dbraw/zinc/47/76/19/356477619.db2.gz BKHHMNBVUFJVNF-UHFFFAOYSA-N 1 2 233.315 1.911 20 30 BDEDLO C[C@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000336196768 134126303 /nfs/dbraw/zinc/12/63/03/134126303.db2.gz VNERSJLSBGEXSI-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000336196768 134126304 /nfs/dbraw/zinc/12/63/04/134126304.db2.gz VNERSJLSBGEXSI-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H](CF)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352262477 134128477 /nfs/dbraw/zinc/12/84/77/134128477.db2.gz HRTVBQKYZWRJTR-KCJUWKMLSA-N 1 2 235.262 1.032 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303175 356580994 /nfs/dbraw/zinc/58/09/94/356580994.db2.gz WWVFMLMENVWSTC-BXUZGUMPSA-N 1 2 247.342 1.916 20 30 BDEDLO COCC#CC[NH2+][C@@H](COC)c1ccco1 ZINC000381742991 538468536 /nfs/dbraw/zinc/46/85/36/538468536.db2.gz PLDUYIBSJSOPNF-NSHDSACASA-N 1 2 223.272 1.207 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@H](C)CO1 ZINC000403945889 356656310 /nfs/dbraw/zinc/65/63/10/356656310.db2.gz KKWJHKURZYZKQF-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@H](C)CO1 ZINC000403945889 356656311 /nfs/dbraw/zinc/65/63/11/356656311.db2.gz KKWJHKURZYZKQF-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610016004 356691232 /nfs/dbraw/zinc/69/12/32/356691232.db2.gz KULIUOJVNBMEHS-MRVPVSSYSA-N 1 2 214.228 1.432 20 30 BDEDLO Cn1cc(C[N@H+](C)CC(C)(C)C#N)cc1C#N ZINC000354042144 134166703 /nfs/dbraw/zinc/16/67/03/134166703.db2.gz VYVZDRJRMYZLEB-UHFFFAOYSA-N 1 2 230.315 1.878 20 30 BDEDLO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)cc1C#N ZINC000354042144 134166704 /nfs/dbraw/zinc/16/67/04/134166704.db2.gz VYVZDRJRMYZLEB-UHFFFAOYSA-N 1 2 230.315 1.878 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cc(=O)c(O)co2)CC1 ZINC000356448225 134178449 /nfs/dbraw/zinc/17/84/49/134178449.db2.gz RRNUJWYFJNCASK-UHFFFAOYSA-N 1 2 248.282 1.471 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1[nH+]ccn1CC ZINC000385266515 357043425 /nfs/dbraw/zinc/04/34/25/357043425.db2.gz WIPSDIAEGVKCOK-SECBINFHSA-N 1 2 220.276 1.069 20 30 BDEDLO CC#CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582791643 357397829 /nfs/dbraw/zinc/39/78/29/357397829.db2.gz BMXAVUGHPBTNNU-LLVKDONJSA-N 1 2 219.288 1.316 20 30 BDEDLO Cc1c[nH+]ccc1CCN1CCO[C@H](C#N)C1 ZINC000397648944 357618764 /nfs/dbraw/zinc/61/87/64/357618764.db2.gz XDWXHYSXYPGOND-CYBMUJFWSA-N 1 2 231.299 1.157 20 30 BDEDLO CC(C)(C#N)CCCC[N@@H+]1CCNC(=O)C1 ZINC000232529104 357664733 /nfs/dbraw/zinc/66/47/33/357664733.db2.gz OILXOAZQWNKANQ-UHFFFAOYSA-N 1 2 223.320 1.138 20 30 BDEDLO CC(C)(C#N)CCCC[N@H+]1CCNC(=O)C1 ZINC000232529104 357664739 /nfs/dbraw/zinc/66/47/39/357664739.db2.gz OILXOAZQWNKANQ-UHFFFAOYSA-N 1 2 223.320 1.138 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639924666 357795972 /nfs/dbraw/zinc/79/59/72/357795972.db2.gz BVJILPKEZYCZQT-ZDUSSCGKSA-N 1 2 248.326 1.965 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639924666 357795974 /nfs/dbraw/zinc/79/59/74/357795974.db2.gz BVJILPKEZYCZQT-ZDUSSCGKSA-N 1 2 248.326 1.965 20 30 BDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CCC#N)C[C@@H](C)O2 ZINC000369299758 134222568 /nfs/dbraw/zinc/22/25/68/134222568.db2.gz WCDUSGWKOCZVGZ-GRYCIOLGSA-N 1 2 224.304 1.168 20 30 BDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CCC#N)C[C@@H](C)O2 ZINC000369299758 134222569 /nfs/dbraw/zinc/22/25/69/134222569.db2.gz WCDUSGWKOCZVGZ-GRYCIOLGSA-N 1 2 224.304 1.168 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000375230497 134238731 /nfs/dbraw/zinc/23/87/31/134238731.db2.gz UWZKLUKGEMVION-RYUDHWBXSA-N 1 2 236.315 1.360 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000375230497 134238732 /nfs/dbraw/zinc/23/87/32/134238732.db2.gz UWZKLUKGEMVION-RYUDHWBXSA-N 1 2 236.315 1.360 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450695862 202235692 /nfs/dbraw/zinc/23/56/92/202235692.db2.gz FPOHDXZMSURGQM-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450695862 202235696 /nfs/dbraw/zinc/23/56/96/202235696.db2.gz FPOHDXZMSURGQM-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO C=C(CC)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307749364 358440405 /nfs/dbraw/zinc/44/04/05/358440405.db2.gz GJFKXSWOGWUTNS-ZWNOBZJWSA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(CC)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307749364 358440408 /nfs/dbraw/zinc/44/04/08/358440408.db2.gz GJFKXSWOGWUTNS-ZWNOBZJWSA-N 1 2 201.335 1.405 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000042449681 358523841 /nfs/dbraw/zinc/52/38/41/358523841.db2.gz PQMZOSHCMIPUDQ-QWRGUYRKSA-N 1 2 223.320 1.159 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449681 358523843 /nfs/dbraw/zinc/52/38/43/358523843.db2.gz PQMZOSHCMIPUDQ-QWRGUYRKSA-N 1 2 223.320 1.159 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454401 358524808 /nfs/dbraw/zinc/52/48/08/358524808.db2.gz GKBISSAFIBFEQK-NSHDSACASA-N 1 2 225.336 1.527 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454401 358524812 /nfs/dbraw/zinc/52/48/12/358524812.db2.gz GKBISSAFIBFEQK-NSHDSACASA-N 1 2 225.336 1.527 20 30 BDEDLO CCC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611153955 358898180 /nfs/dbraw/zinc/89/81/80/358898180.db2.gz VVSAACKBFIEOQR-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CCC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611153955 358898181 /nfs/dbraw/zinc/89/81/81/358898181.db2.gz VVSAACKBFIEOQR-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO Cn1cc(C[N@H+](C)C[C@H](C#N)CCC#N)cn1 ZINC000057945848 358908011 /nfs/dbraw/zinc/90/80/11/358908011.db2.gz WLMFONMPGHVYIE-NSHDSACASA-N 1 2 231.303 1.295 20 30 BDEDLO Cn1cc(C[N@@H+](C)C[C@H](C#N)CCC#N)cn1 ZINC000057945848 358908014 /nfs/dbraw/zinc/90/80/14/358908014.db2.gz WLMFONMPGHVYIE-NSHDSACASA-N 1 2 231.303 1.295 20 30 BDEDLO CC[N@@H+](CC(=O)NCc1ccco1)C[C@H](C)C#N ZINC000072031604 359084415 /nfs/dbraw/zinc/08/44/15/359084415.db2.gz RLVDMRQXXFDPKN-LLVKDONJSA-N 1 2 249.314 1.377 20 30 BDEDLO CC[N@H+](CC(=O)NCc1ccco1)C[C@H](C)C#N ZINC000072031604 359084416 /nfs/dbraw/zinc/08/44/16/359084416.db2.gz RLVDMRQXXFDPKN-LLVKDONJSA-N 1 2 249.314 1.377 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cnccc1C#N ZINC000611281082 359291169 /nfs/dbraw/zinc/29/11/69/359291169.db2.gz JFSJMFIVSHDFQH-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNc1cnccc1C#N ZINC000611281082 359291173 /nfs/dbraw/zinc/29/11/73/359291173.db2.gz JFSJMFIVSHDFQH-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](C)C[C@H](C)C#N ZINC000611411171 359361904 /nfs/dbraw/zinc/36/19/04/359361904.db2.gz HTDGLAIGTFRNAX-SNVBAGLBSA-N 1 2 220.320 1.574 20 30 BDEDLO 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369454106 /nfs/dbraw/zinc/45/41/06/369454106.db2.gz QZUKCMVCBWLHGC-ZDUSSCGKSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1nccc(C[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000619511246 369454110 /nfs/dbraw/zinc/45/41/10/369454110.db2.gz QZUKCMVCBWLHGC-ZDUSSCGKSA-N 1 2 230.315 1.911 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000619718802 369549037 /nfs/dbraw/zinc/54/90/37/369549037.db2.gz ZCZRKOMGARTTKQ-WDEREUQCSA-N 1 2 243.372 1.787 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000619718802 369549038 /nfs/dbraw/zinc/54/90/38/369549038.db2.gz ZCZRKOMGARTTKQ-WDEREUQCSA-N 1 2 243.372 1.787 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000619719826 369549718 /nfs/dbraw/zinc/54/97/18/369549718.db2.gz FZTGDFLYPILKBJ-YUMQZZPRSA-N 1 2 219.231 1.301 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](C(F)F)C1 ZINC000619719826 369549724 /nfs/dbraw/zinc/54/97/24/369549724.db2.gz FZTGDFLYPILKBJ-YUMQZZPRSA-N 1 2 219.231 1.301 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000619721816 369552835 /nfs/dbraw/zinc/55/28/35/369552835.db2.gz DLMZYDLQCIIYLC-YPMHNXCESA-N 1 2 241.331 1.199 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@](CC)(CO)C1 ZINC000619721816 369552840 /nfs/dbraw/zinc/55/28/40/369552840.db2.gz DLMZYDLQCIIYLC-YPMHNXCESA-N 1 2 241.331 1.199 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)Nc1cnc(C#N)cn1 ZINC000601191699 369604829 /nfs/dbraw/zinc/60/48/29/369604829.db2.gz MIRUQJJPAKGXBC-VIFPVBQESA-N 1 2 242.286 1.738 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC000602674118 369840070 /nfs/dbraw/zinc/84/00/70/369840070.db2.gz FBOGQUQSWNOVPI-SECBINFHSA-N 1 2 205.236 1.497 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC000602674118 369840073 /nfs/dbraw/zinc/84/00/73/369840073.db2.gz FBOGQUQSWNOVPI-SECBINFHSA-N 1 2 205.236 1.497 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435897 369788068 /nfs/dbraw/zinc/78/80/68/369788068.db2.gz LSRYOWWNMLTEKI-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435897 369788071 /nfs/dbraw/zinc/78/80/71/369788071.db2.gz LSRYOWWNMLTEKI-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000602720256 369847575 /nfs/dbraw/zinc/84/75/75/369847575.db2.gz FYMLTZSQWYNGHZ-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000602720256 369847579 /nfs/dbraw/zinc/84/75/79/369847579.db2.gz FYMLTZSQWYNGHZ-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@H]2CO)o1 ZINC000602752175 369849311 /nfs/dbraw/zinc/84/93/11/369849311.db2.gz UMOLTVSYTVFUBP-SECBINFHSA-N 1 2 238.312 1.061 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2CO)o1 ZINC000602752175 369849316 /nfs/dbraw/zinc/84/93/16/369849316.db2.gz UMOLTVSYTVFUBP-SECBINFHSA-N 1 2 238.312 1.061 20 30 BDEDLO COc1cc(C[NH2+][C@@H](C)CC#N)ccn1 ZINC000062070296 369949392 /nfs/dbraw/zinc/94/93/92/369949392.db2.gz XVLIEZVZGQQGNL-VIFPVBQESA-N 1 2 205.261 1.482 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606881 369956265 /nfs/dbraw/zinc/95/62/65/369956265.db2.gz AOGIKKNLUMKISN-VIFPVBQESA-N 1 2 221.304 1.810 20 30 BDEDLO COc1cc[nH+]cc1Cn1c(C)c(C)nc1C#N ZINC000603425832 369965230 /nfs/dbraw/zinc/96/52/30/369965230.db2.gz HCUBMSVSLNKRIP-UHFFFAOYSA-N 1 2 242.282 1.824 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(O)cc1 ZINC000094680046 370448611 /nfs/dbraw/zinc/44/86/11/370448611.db2.gz JDWQACYVFYZACF-JTQLQIEISA-N 1 2 204.273 1.984 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(O)cc1 ZINC000094680046 370448615 /nfs/dbraw/zinc/44/86/15/370448615.db2.gz JDWQACYVFYZACF-JTQLQIEISA-N 1 2 204.273 1.984 20 30 BDEDLO CC[N@H+](CCCCS(C)(=O)=O)C[C@@H](C)C#N ZINC000161586814 370483346 /nfs/dbraw/zinc/48/33/46/370483346.db2.gz MPYHIEXBNBHJIQ-NSHDSACASA-N 1 2 246.376 1.293 20 30 BDEDLO CC[N@@H+](CCCCS(C)(=O)=O)C[C@@H](C)C#N ZINC000161586814 370483350 /nfs/dbraw/zinc/48/33/50/370483350.db2.gz MPYHIEXBNBHJIQ-NSHDSACASA-N 1 2 246.376 1.293 20 30 BDEDLO C=CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621960871 370622655 /nfs/dbraw/zinc/62/26/55/370622655.db2.gz LQSUWXRGCGRUPO-UHFFFAOYSA-N 1 2 207.277 1.332 20 30 BDEDLO CC#CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621946016 370614476 /nfs/dbraw/zinc/61/44/76/370614476.db2.gz GBDKRDCROPSFHP-UHFFFAOYSA-N 1 2 219.288 1.217 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C(=O)OC ZINC000389290846 371127899 /nfs/dbraw/zinc/12/78/99/371127899.db2.gz ZCTTVXMWBFHOCA-HRDYMLBCSA-N 1 2 215.318 1.198 20 30 BDEDLO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1nccn1C ZINC000602723736 371834464 /nfs/dbraw/zinc/83/44/64/371834464.db2.gz SCIATSGVAGCQLX-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000171931352 372823227 /nfs/dbraw/zinc/82/32/27/372823227.db2.gz URNNCHVDWMDISD-NSHDSACASA-N 1 2 240.266 1.366 20 30 BDEDLO C=CCCC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000633965086 373863971 /nfs/dbraw/zinc/86/39/71/373863971.db2.gz XMPUYGFYVFAFJV-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO C=CCCCn1ncc2c1nc[nH+]c2NC ZINC000194431889 206089920 /nfs/dbraw/zinc/08/99/20/206089920.db2.gz VHURGBGLRJIZRH-UHFFFAOYSA-N 1 2 217.276 1.834 20 30 BDEDLO CCC[N@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000191150567 169100402 /nfs/dbraw/zinc/10/04/02/169100402.db2.gz UDUFEBMEFLRLHD-UHFFFAOYSA-N 1 2 249.314 1.282 20 30 BDEDLO CCC[N@@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000191150567 169100403 /nfs/dbraw/zinc/10/04/03/169100403.db2.gz UDUFEBMEFLRLHD-UHFFFAOYSA-N 1 2 249.314 1.282 20 30 BDEDLO CCCN1CC[N@H+](CCCC#N)C(C)(C)C1=O ZINC000187875243 169202328 /nfs/dbraw/zinc/20/23/28/169202328.db2.gz HZLQQDUESNJKSW-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO CCCN1CC[N@@H+](CCCC#N)C(C)(C)C1=O ZINC000187875243 169202330 /nfs/dbraw/zinc/20/23/30/169202330.db2.gz HZLQQDUESNJKSW-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO C[N@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000035677782 383866902 /nfs/dbraw/zinc/86/69/02/383866902.db2.gz WCAWXXORIRQPDV-UHFFFAOYSA-N 1 2 233.271 1.983 20 30 BDEDLO C[N@@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000035677782 383866905 /nfs/dbraw/zinc/86/69/05/383866905.db2.gz WCAWXXORIRQPDV-UHFFFAOYSA-N 1 2 233.271 1.983 20 30 BDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000187025786 384153218 /nfs/dbraw/zinc/15/32/18/384153218.db2.gz DRPGPMARPADWBO-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000187025786 384153223 /nfs/dbraw/zinc/15/32/23/384153223.db2.gz DRPGPMARPADWBO-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO C#CCCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000270919055 533040952 /nfs/dbraw/zinc/04/09/52/533040952.db2.gz NHZYKCIWORNTKA-UHFFFAOYSA-N 1 2 232.283 1.746 20 30 BDEDLO Cc1cc(NCC2(C)CC2)c(C#N)c[nH+]1 ZINC000335514779 384295974 /nfs/dbraw/zinc/29/59/74/384295974.db2.gz ZBZLWOSPELNOKD-UHFFFAOYSA-N 1 2 201.273 1.896 20 30 BDEDLO Cc1cc(N[C@H]2CSC2(C)C)c(C#N)c[nH+]1 ZINC000335512393 384296008 /nfs/dbraw/zinc/29/60/08/384296008.db2.gz QXFJPHNPQIULND-NSHDSACASA-N 1 2 233.340 1.990 20 30 BDEDLO C=C(Br)C[N@@H+](C)[C@H](C)CO ZINC000158871538 384297027 /nfs/dbraw/zinc/29/70/27/384297027.db2.gz QYZIYPDNSAPKKZ-SSDOTTSWSA-N 1 2 208.099 1.208 20 30 BDEDLO C=C(Br)C[N@H+](C)[C@H](C)CO ZINC000158871538 384297031 /nfs/dbraw/zinc/29/70/31/384297031.db2.gz QYZIYPDNSAPKKZ-SSDOTTSWSA-N 1 2 208.099 1.208 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047028421 384441138 /nfs/dbraw/zinc/44/11/38/384441138.db2.gz SGLAQIUTHDTGJZ-QWRGUYRKSA-N 1 2 249.318 1.073 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn2ccccc12 ZINC000490924828 384496852 /nfs/dbraw/zinc/49/68/52/384496852.db2.gz SCSFBXOCUATUHR-UHFFFAOYSA-N 1 2 237.306 1.793 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn2ccccc12 ZINC000490924828 384496861 /nfs/dbraw/zinc/49/68/61/384496861.db2.gz SCSFBXOCUATUHR-UHFFFAOYSA-N 1 2 237.306 1.793 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000363479206 384501572 /nfs/dbraw/zinc/50/15/72/384501572.db2.gz FZVSTSLTXXZAKD-NSHDSACASA-N 1 2 205.257 1.676 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000363479206 384501578 /nfs/dbraw/zinc/50/15/78/384501578.db2.gz FZVSTSLTXXZAKD-NSHDSACASA-N 1 2 205.257 1.676 20 30 BDEDLO N#CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000049837751 384574660 /nfs/dbraw/zinc/57/46/60/384574660.db2.gz DDGSWQNAOXASTE-UHFFFAOYSA-N 1 2 249.745 1.981 20 30 BDEDLO COC[C@@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000172887168 384633318 /nfs/dbraw/zinc/63/33/18/384633318.db2.gz UBCHWXTUVKPWFE-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000172887168 384633322 /nfs/dbraw/zinc/63/33/22/384633322.db2.gz UBCHWXTUVKPWFE-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000172887171 384631573 /nfs/dbraw/zinc/63/15/73/384631573.db2.gz UBCHWXTUVKPWFE-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000172887171 384631582 /nfs/dbraw/zinc/63/15/82/384631582.db2.gz UBCHWXTUVKPWFE-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO Cc1ccc2[nH+]c(CNCCC#N)cn2c1 ZINC000309835883 384656502 /nfs/dbraw/zinc/65/65/02/384656502.db2.gz BCBRDGBRSNGORX-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO COC(=O)[C@@H](C)C/[NH+]=C/c1ccccc1O ZINC000101799825 384690290 /nfs/dbraw/zinc/69/02/90/384690290.db2.gz JLWWZMICVNXKAV-ITTMYVLYSA-N 1 2 221.256 1.620 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000491396744 384698141 /nfs/dbraw/zinc/69/81/41/384698141.db2.gz ZPVDXPQINKLKIK-SECBINFHSA-N 1 2 216.288 1.509 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000491396744 384698153 /nfs/dbraw/zinc/69/81/53/384698153.db2.gz ZPVDXPQINKLKIK-SECBINFHSA-N 1 2 216.288 1.509 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2c[nH]nc2C)nn1 ZINC000643902068 384779061 /nfs/dbraw/zinc/77/90/61/384779061.db2.gz QEMHBLVQFZQZKB-SECBINFHSA-N 1 2 246.318 1.346 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[NH2+]C1(C(N)=O)CC1 ZINC000187462170 384737564 /nfs/dbraw/zinc/73/75/64/384737564.db2.gz XOWAARIEVYQYFZ-UHFFFAOYSA-N 1 2 249.701 1.319 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000491807270 384792373 /nfs/dbraw/zinc/79/23/73/384792373.db2.gz SRIPYRPWDUHKLP-SNVBAGLBSA-N 1 2 227.267 1.428 20 30 BDEDLO C=C(C)C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000306389092 384907769 /nfs/dbraw/zinc/90/77/69/384907769.db2.gz WFOQAOFRLMXLBC-NXEZZACHSA-N 1 2 201.335 1.404 20 30 BDEDLO Cc1nc(CC(N)=[NH+]OCC(C)C)cs1 ZINC000085260921 384930121 /nfs/dbraw/zinc/93/01/21/384930121.db2.gz NILNRJMXBMRDNT-UHFFFAOYSA-N 1 2 227.333 1.939 20 30 BDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000408368176 385040674 /nfs/dbraw/zinc/04/06/74/385040674.db2.gz DCCKRKSUPUSSSE-NSHDSACASA-N 1 2 222.288 1.318 20 30 BDEDLO COC(=O)[C@]1(C)CCC[N@H+]1CC1(C#N)CC1 ZINC000408368176 385040678 /nfs/dbraw/zinc/04/06/78/385040678.db2.gz DCCKRKSUPUSSSE-NSHDSACASA-N 1 2 222.288 1.318 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(COC)s1 ZINC000491536123 385113640 /nfs/dbraw/zinc/11/36/40/385113640.db2.gz HXEWWGOIJMTATM-SECBINFHSA-N 1 2 224.329 1.743 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(COC)s1 ZINC000491536123 385113645 /nfs/dbraw/zinc/11/36/45/385113645.db2.gz HXEWWGOIJMTATM-SECBINFHSA-N 1 2 224.329 1.743 20 30 BDEDLO COc1cccc(C[NH2+]C[C@@H](C)C#N)n1 ZINC000189431579 385189592 /nfs/dbraw/zinc/18/95/92/385189592.db2.gz OQQMAOAYBFHOIC-VIFPVBQESA-N 1 2 205.261 1.339 20 30 BDEDLO C#C[C@H]1COCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000491568639 385156327 /nfs/dbraw/zinc/15/63/27/385156327.db2.gz RLFUVYRJJLQZRZ-LBPRGKRZSA-N 1 2 243.310 1.501 20 30 BDEDLO Cc1cc(C)n(CC[N@@H+](C)C[C@@H](C)C#N)n1 ZINC000068813932 385221096 /nfs/dbraw/zinc/22/10/96/385221096.db2.gz HYEJPYVVVSXOCF-JTQLQIEISA-N 1 2 220.320 1.591 20 30 BDEDLO Cc1cc(C)n(CC[N@H+](C)C[C@@H](C)C#N)n1 ZINC000068813932 385221099 /nfs/dbraw/zinc/22/10/99/385221099.db2.gz HYEJPYVVVSXOCF-JTQLQIEISA-N 1 2 220.320 1.591 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC000336398273 385249204 /nfs/dbraw/zinc/24/92/04/385249204.db2.gz XIVKWQPZHMCTRV-NSHDSACASA-N 1 2 248.330 1.670 20 30 BDEDLO C=CCN(CC=C)C(=O)NCc1c[nH+]cn1C ZINC000292183281 385280419 /nfs/dbraw/zinc/28/04/19/385280419.db2.gz BCISRBFNQFWCQX-UHFFFAOYSA-N 1 2 234.303 1.304 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000491639147 385287043 /nfs/dbraw/zinc/28/70/43/385287043.db2.gz YJVAQSIGQVXENE-RYUDHWBXSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000491315711 385339585 /nfs/dbraw/zinc/33/95/85/385339585.db2.gz PTZKRVXNXIUVII-RYUDHWBXSA-N 1 2 245.326 1.364 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C#N)C(C)C ZINC000492590837 385404037 /nfs/dbraw/zinc/40/40/37/385404037.db2.gz FNBQCWHBKLVGLY-MVIFTORASA-N 1 2 246.314 1.581 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(C(C)=O)c1 ZINC000294973579 533119811 /nfs/dbraw/zinc/11/98/11/533119811.db2.gz LWFYEZDVKKSZGR-UHFFFAOYSA-N 1 2 225.291 1.958 20 30 BDEDLO CC[C@H](CC#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493328766 385564230 /nfs/dbraw/zinc/56/42/30/385564230.db2.gz DAJIBNQDXMATRJ-CDAZIORVSA-N 1 2 218.260 1.231 20 30 BDEDLO Cc1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592146581 385568144 /nfs/dbraw/zinc/56/81/44/385568144.db2.gz DAHKQCZXQSXFHP-LLVKDONJSA-N 1 2 237.328 1.302 20 30 BDEDLO Cc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592146581 385568146 /nfs/dbraw/zinc/56/81/46/385568146.db2.gz DAHKQCZXQSXFHP-LLVKDONJSA-N 1 2 237.328 1.302 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(C(=O)OCC)cn1 ZINC000491730020 385704481 /nfs/dbraw/zinc/70/44/81/385704481.db2.gz JDESDVZEIQRAMF-UHFFFAOYSA-N 1 2 232.283 1.323 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(C(=O)OCC)cn1 ZINC000491730020 385704485 /nfs/dbraw/zinc/70/44/85/385704485.db2.gz JDESDVZEIQRAMF-UHFFFAOYSA-N 1 2 232.283 1.323 20 30 BDEDLO C#CC[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000491744550 385770118 /nfs/dbraw/zinc/77/01/18/385770118.db2.gz MESAFVFYDFCNDY-UHFFFAOYSA-N 1 2 235.356 1.807 20 30 BDEDLO C#CC[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000491744550 385770126 /nfs/dbraw/zinc/77/01/26/385770126.db2.gz MESAFVFYDFCNDY-UHFFFAOYSA-N 1 2 235.356 1.807 20 30 BDEDLO C#CC[N@H+]1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000368339352 533144425 /nfs/dbraw/zinc/14/44/25/533144425.db2.gz VZCVEANVFREQQW-CYBMUJFWSA-N 1 2 240.306 1.951 20 30 BDEDLO C#CC[N@@H+]1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000368339352 533144429 /nfs/dbraw/zinc/14/44/29/533144429.db2.gz VZCVEANVFREQQW-CYBMUJFWSA-N 1 2 240.306 1.951 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425396659 385946249 /nfs/dbraw/zinc/94/62/49/385946249.db2.gz PTJQELXRFVYXSR-MNOVXSKESA-N 1 2 237.347 1.477 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425396659 385946257 /nfs/dbraw/zinc/94/62/57/385946257.db2.gz PTJQELXRFVYXSR-MNOVXSKESA-N 1 2 237.347 1.477 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2cccnc2)n1 ZINC000309522335 386034716 /nfs/dbraw/zinc/03/47/16/386034716.db2.gz BQIGDURCRZKWAQ-UHFFFAOYSA-N 1 2 230.296 1.700 20 30 BDEDLO Cc1cc(CNC(=O)C(C)(C)C#N)cc(C)[nH+]1 ZINC000335075777 386045731 /nfs/dbraw/zinc/04/57/31/386045731.db2.gz VXZIVWFVRSKMQE-UHFFFAOYSA-N 1 2 231.299 1.864 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347138462 386257415 /nfs/dbraw/zinc/25/74/15/386257415.db2.gz QTASGBHSTUZMCM-UWVGGRQHSA-N 1 2 232.287 1.275 20 30 BDEDLO CCN1CC[N@H+](CCC(C)(C)C#N)[C@H](C)C1=O ZINC000347258295 386308065 /nfs/dbraw/zinc/30/80/65/386308065.db2.gz XUBHCVNIZYVXHO-LLVKDONJSA-N 1 2 237.347 1.479 20 30 BDEDLO CCN1CC[N@@H+](CCC(C)(C)C#N)[C@H](C)C1=O ZINC000347258295 386308068 /nfs/dbraw/zinc/30/80/68/386308068.db2.gz XUBHCVNIZYVXHO-LLVKDONJSA-N 1 2 237.347 1.479 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cnccc1OC ZINC000347247531 386278287 /nfs/dbraw/zinc/27/82/87/386278287.db2.gz KWBBRQSXLBZENW-UHFFFAOYSA-N 1 2 236.315 1.725 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cnccc1OC ZINC000347247531 386278292 /nfs/dbraw/zinc/27/82/92/386278292.db2.gz KWBBRQSXLBZENW-UHFFFAOYSA-N 1 2 236.315 1.725 20 30 BDEDLO Cc1cc(NCC2(CO)CCCC2)c(C#N)c[nH+]1 ZINC000398994528 386409357 /nfs/dbraw/zinc/40/93/57/386409357.db2.gz NVAFSDBSJPKBNO-UHFFFAOYSA-N 1 2 245.326 1.648 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347464883 386416701 /nfs/dbraw/zinc/41/67/01/386416701.db2.gz UDOCXPDSPWYTOF-LLVKDONJSA-N 1 2 247.342 1.916 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000645406850 386484610 /nfs/dbraw/zinc/48/46/10/386484610.db2.gz CRUSAKMKCWOOMJ-NSHDSACASA-N 1 2 246.314 1.237 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000645406850 386484614 /nfs/dbraw/zinc/48/46/14/386484614.db2.gz CRUSAKMKCWOOMJ-NSHDSACASA-N 1 2 246.314 1.237 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1nccs1 ZINC000192223464 386487985 /nfs/dbraw/zinc/48/79/85/386487985.db2.gz ZIHJJPRNHCLUIP-MRVPVSSYSA-N 1 2 223.301 1.035 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1nccs1 ZINC000192223464 386487989 /nfs/dbraw/zinc/48/79/89/386487989.db2.gz ZIHJJPRNHCLUIP-MRVPVSSYSA-N 1 2 223.301 1.035 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000645404602 386460841 /nfs/dbraw/zinc/46/08/41/386460841.db2.gz JLSDPNUEFNPCMU-NSHDSACASA-N 1 2 241.294 1.238 20 30 BDEDLO Cc1cc(NCC2CCC(C#N)CC2)nc[nH+]1 ZINC000408424547 386573704 /nfs/dbraw/zinc/57/37/04/386573704.db2.gz VYKWFDYXBCRHMC-UHFFFAOYSA-N 1 2 230.315 1.949 20 30 BDEDLO C[N@H+](CC(=O)NC1CCCC1)[C@H]1CCNC1=O ZINC000328890667 386641761 /nfs/dbraw/zinc/64/17/61/386641761.db2.gz RVYFMLMXIGTGQZ-JTQLQIEISA-N 1 2 239.319 1.546 20 30 BDEDLO C[N@@H+](CC(=O)NC1CCCC1)[C@H]1CCNC1=O ZINC000328890667 386641766 /nfs/dbraw/zinc/64/17/66/386641766.db2.gz RVYFMLMXIGTGQZ-JTQLQIEISA-N 1 2 239.319 1.546 20 30 BDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCCO1 ZINC000328937046 386648687 /nfs/dbraw/zinc/64/86/87/386648687.db2.gz GCKSZYUCEIMHAO-QWRGUYRKSA-N 1 2 249.314 1.896 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCCO1 ZINC000328947207 386648771 /nfs/dbraw/zinc/64/87/71/386648771.db2.gz MPCVLAMRHXUSGR-SKDRFNHKSA-N 1 2 249.314 1.793 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCCO1 ZINC000328947207 386648777 /nfs/dbraw/zinc/64/87/77/386648777.db2.gz MPCVLAMRHXUSGR-SKDRFNHKSA-N 1 2 249.314 1.793 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290946690 386609973 /nfs/dbraw/zinc/60/99/73/386609973.db2.gz PHFDMHGAJXEMAY-ZDUSSCGKSA-N 1 2 233.315 1.828 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000188472344 386673561 /nfs/dbraw/zinc/67/35/61/386673561.db2.gz JJKQRIMKAOMZQX-GFCCVEGCSA-N 1 2 221.304 1.671 20 30 BDEDLO CC[C@H](C[C@H](C)CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330487472 386737138 /nfs/dbraw/zinc/73/71/38/386737138.db2.gz HHFMEQFSNYACFN-WCBMZHEXSA-N 1 2 239.319 1.820 20 30 BDEDLO CC[C@H](C[C@@H](C)CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330487471 386737310 /nfs/dbraw/zinc/73/73/10/386737310.db2.gz HHFMEQFSNYACFN-PSASIEDQSA-N 1 2 239.319 1.820 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000348525642 386751082 /nfs/dbraw/zinc/75/10/82/386751082.db2.gz PBLKTPKDVRJFHD-GFCCVEGCSA-N 1 2 229.283 1.073 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000348525642 386751087 /nfs/dbraw/zinc/75/10/87/386751087.db2.gz PBLKTPKDVRJFHD-GFCCVEGCSA-N 1 2 229.283 1.073 20 30 BDEDLO COc1cc(C#N)ccc1C[NH+]1CCOCC1 ZINC000120484680 386752458 /nfs/dbraw/zinc/75/24/58/386752458.db2.gz SWAVQWDVVLVXAA-UHFFFAOYSA-N 1 2 232.283 1.399 20 30 BDEDLO CSC[C@@H](CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330513837 386744414 /nfs/dbraw/zinc/74/44/14/386744414.db2.gz UJYVIOIPCNPOJH-MRVPVSSYSA-N 1 2 243.332 1.137 20 30 BDEDLO CN(CC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000527074643 386774501 /nfs/dbraw/zinc/77/45/01/386774501.db2.gz GMCSCOAUMMTPKX-UHFFFAOYSA-N 1 2 240.310 1.887 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccn1 ZINC000330621540 386822657 /nfs/dbraw/zinc/82/26/57/386822657.db2.gz MIPNAPMADJAJRV-NSHDSACASA-N 1 2 249.314 1.107 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccccn1 ZINC000330621540 386822662 /nfs/dbraw/zinc/82/26/62/386822662.db2.gz MIPNAPMADJAJRV-NSHDSACASA-N 1 2 249.314 1.107 20 30 BDEDLO C#CC[N@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000366719758 386830392 /nfs/dbraw/zinc/83/03/92/386830392.db2.gz PXVAMOXQAKISBT-SNVBAGLBSA-N 1 2 204.277 1.273 20 30 BDEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000366719758 386830394 /nfs/dbraw/zinc/83/03/94/386830394.db2.gz PXVAMOXQAKISBT-SNVBAGLBSA-N 1 2 204.277 1.273 20 30 BDEDLO C[C@H]1CCN(C(=O)CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000335748703 386872612 /nfs/dbraw/zinc/87/26/12/386872612.db2.gz BNYQCRUZUFOBTF-QWRGUYRKSA-N 1 2 232.287 1.206 20 30 BDEDLO COCCOCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399549936 387001753 /nfs/dbraw/zinc/00/17/53/387001753.db2.gz ZMUYDOFMJWRFFP-UHFFFAOYSA-N 1 2 249.314 1.361 20 30 BDEDLO CN(C)c1ncc(C[NH2+]CC2(C#N)CCC2)n1C ZINC000425374020 387015385 /nfs/dbraw/zinc/01/53/85/387015385.db2.gz WLVFZOAUTKPIQN-UHFFFAOYSA-N 1 2 247.346 1.270 20 30 BDEDLO CN(C)c1[nH+]cc(CNCC2(C#N)CCC2)n1C ZINC000425374020 387015389 /nfs/dbraw/zinc/01/53/89/387015389.db2.gz WLVFZOAUTKPIQN-UHFFFAOYSA-N 1 2 247.346 1.270 20 30 BDEDLO COC[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000399563080 387015742 /nfs/dbraw/zinc/01/57/42/387015742.db2.gz GCQMEXGGOCMMLY-SECBINFHSA-N 1 2 219.288 1.378 20 30 BDEDLO Cc1cc(N[C@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000399576607 387019484 /nfs/dbraw/zinc/01/94/84/387019484.db2.gz KKQONMFBSWTTBM-NSHDSACASA-N 1 2 217.272 1.275 20 30 BDEDLO CO[C@@H](C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000399419978 387090084 /nfs/dbraw/zinc/09/00/84/387090084.db2.gz FESYRCKTZPLRGT-JTQLQIEISA-N 1 2 219.288 1.733 20 30 BDEDLO Cc1cc(NCCCOC(F)F)c(C#N)c[nH+]1 ZINC000399454995 387109265 /nfs/dbraw/zinc/10/92/65/387109265.db2.gz SNUIQPNHDKBKCG-UHFFFAOYSA-N 1 2 241.241 1.725 20 30 BDEDLO CC(C)(C)n1cc(C[NH2+]CC2(C#N)CCC2)nn1 ZINC000418145733 387167454 /nfs/dbraw/zinc/16/74/54/387167454.db2.gz YTHBRSQVPLYCJS-UHFFFAOYSA-N 1 2 247.346 1.817 20 30 BDEDLO Cc1cc(N(C)Cc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000399476739 387136865 /nfs/dbraw/zinc/13/68/65/387136865.db2.gz WEHPZAVBYYCXQM-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO C[C@@H](CC(=O)NCCCCC#N)n1cc[nH+]c1 ZINC000572044258 387220672 /nfs/dbraw/zinc/22/06/72/387220672.db2.gz BGGAPNZSLGUDKO-NSHDSACASA-N 1 2 234.303 1.644 20 30 BDEDLO Cc1oncc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352484761 387248525 /nfs/dbraw/zinc/24/85/25/387248525.db2.gz SZHLOZVJROZKRJ-UHFFFAOYSA-N 1 2 223.251 1.811 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000029810235 387305509 /nfs/dbraw/zinc/30/55/09/387305509.db2.gz QTVVEXPWHAGJRT-JTQLQIEISA-N 1 2 248.351 1.244 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000029810235 387305514 /nfs/dbraw/zinc/30/55/14/387305514.db2.gz QTVVEXPWHAGJRT-JTQLQIEISA-N 1 2 248.351 1.244 20 30 BDEDLO Cc1cc(N2CCC[C@H]([C@H](C)O)C2)c(C#N)c[nH+]1 ZINC000572357978 387345665 /nfs/dbraw/zinc/34/56/65/387345665.db2.gz ZZILWGKOOYYSGH-RYUDHWBXSA-N 1 2 245.326 1.859 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000572393547 387383756 /nfs/dbraw/zinc/38/37/56/387383756.db2.gz OOISUNAUZPYEKJ-CMPLNLGQSA-N 1 2 243.314 1.300 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000265392478 387395054 /nfs/dbraw/zinc/39/50/54/387395054.db2.gz VEUDECONJMYOMP-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO C=CCOCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000267229547 387407821 /nfs/dbraw/zinc/40/78/21/387407821.db2.gz PFLPZOBQLXHZJW-UHFFFAOYSA-N 1 2 237.303 1.317 20 30 BDEDLO CC#CCNC(=O)Nc1cc[nH+]cc1C ZINC000276108019 387520029 /nfs/dbraw/zinc/52/00/29/387520029.db2.gz ZJFSRIJTUGVZPI-UHFFFAOYSA-N 1 2 203.245 1.535 20 30 BDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)o2)CC1=O ZINC000191541119 387484182 /nfs/dbraw/zinc/48/41/82/387484182.db2.gz WQBCDZOYYVRVQL-UHFFFAOYSA-N 1 2 247.298 1.205 20 30 BDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)o2)CC1=O ZINC000191541119 387484188 /nfs/dbraw/zinc/48/41/88/387484188.db2.gz WQBCDZOYYVRVQL-UHFFFAOYSA-N 1 2 247.298 1.205 20 30 BDEDLO Cc1cc(C[NH+]2CCN(CC#N)CC2)ccn1 ZINC000527533010 387623110 /nfs/dbraw/zinc/62/31/10/387623110.db2.gz GXHDAXQSMUBFCZ-UHFFFAOYSA-N 1 2 230.315 1.031 20 30 BDEDLO CC(C)CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324309 387626283 /nfs/dbraw/zinc/62/62/83/387626283.db2.gz SEGSNOMJRSRWQT-RYUDHWBXSA-N 1 2 239.363 1.629 20 30 BDEDLO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324309 387626284 /nfs/dbraw/zinc/62/62/84/387626284.db2.gz SEGSNOMJRSRWQT-RYUDHWBXSA-N 1 2 239.363 1.629 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cccnc2)nn1 ZINC000424135106 387653106 /nfs/dbraw/zinc/65/31/06/387653106.db2.gz IWBQWTFZQZKUDG-LLVKDONJSA-N 1 2 243.314 1.710 20 30 BDEDLO N#CC1(C[N@H+](CCO)Cc2cccnc2)CCC1 ZINC000450496106 387790556 /nfs/dbraw/zinc/79/05/56/387790556.db2.gz XOHALLSQDUYLCU-UHFFFAOYSA-N 1 2 245.326 1.570 20 30 BDEDLO N#CC1(C[N@@H+](CCO)Cc2cccnc2)CCC1 ZINC000450496106 387790558 /nfs/dbraw/zinc/79/05/58/387790558.db2.gz XOHALLSQDUYLCU-UHFFFAOYSA-N 1 2 245.326 1.570 20 30 BDEDLO C=CC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000452780855 387918219 /nfs/dbraw/zinc/91/82/19/387918219.db2.gz YMLKXDUAMIIFKJ-UHFFFAOYSA-N 1 2 221.304 1.602 20 30 BDEDLO CC[C@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH]cc[nH+]1 ZINC000354147231 387930555 /nfs/dbraw/zinc/93/05/55/387930555.db2.gz SGZAUYXKZCTCMF-JTQLQIEISA-N 1 2 243.270 1.491 20 30 BDEDLO C#CC[N@@H+](CCCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000117879595 388092156 /nfs/dbraw/zinc/09/21/56/388092156.db2.gz CJWVJJUEGNKJOH-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CCCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000117879595 388092159 /nfs/dbraw/zinc/09/21/59/388092159.db2.gz CJWVJJUEGNKJOH-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C=CCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454146125 388101769 /nfs/dbraw/zinc/10/17/69/388101769.db2.gz NLQCSGMWZBUTHZ-VIFPVBQESA-N 1 2 222.292 1.449 20 30 BDEDLO C#C[C@H](CCC)NC(=O)CCc1c[nH+]cn1C ZINC000490713563 388249022 /nfs/dbraw/zinc/24/90/22/388249022.db2.gz KVFDPKDAMDEDAS-LLVKDONJSA-N 1 2 233.315 1.271 20 30 BDEDLO C#CCN(C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC000490804167 388255491 /nfs/dbraw/zinc/25/54/91/388255491.db2.gz UMWTUUUSKNAWBV-UHFFFAOYSA-N 1 2 245.326 1.678 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnnn1C(C)(C)C ZINC000489458512 388216324 /nfs/dbraw/zinc/21/63/24/388216324.db2.gz DSWZPRJJXUHTBV-NSHDSACASA-N 1 2 249.362 1.969 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000489458512 388216326 /nfs/dbraw/zinc/21/63/26/388216326.db2.gz DSWZPRJJXUHTBV-NSHDSACASA-N 1 2 249.362 1.969 20 30 BDEDLO C=CCOCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456842555 388227215 /nfs/dbraw/zinc/22/72/15/388227215.db2.gz PVVKDCBJRSUBMZ-UHFFFAOYSA-N 1 2 234.299 1.517 20 30 BDEDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000459445212 388245064 /nfs/dbraw/zinc/24/50/64/388245064.db2.gz BPLLWKSRORXGOC-GXSJLCMTSA-N 1 2 246.314 1.526 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(C(C)C)ncn2)CC1 ZINC000490637185 388245387 /nfs/dbraw/zinc/24/53/87/388245387.db2.gz QHYLUFPRCAVNAV-UHFFFAOYSA-N 1 2 244.342 1.355 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000491287317 388282313 /nfs/dbraw/zinc/28/23/13/388282313.db2.gz LQPUWKUCIXWBCU-BCPZQOPPSA-N 1 2 245.326 1.834 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C)s1 ZINC000491430489 388294353 /nfs/dbraw/zinc/29/43/53/388294353.db2.gz YDFBCKKRRUKUKV-NSHDSACASA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C)s1 ZINC000491430489 388294354 /nfs/dbraw/zinc/29/43/54/388294354.db2.gz YDFBCKKRRUKUKV-NSHDSACASA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000491497741 388299107 /nfs/dbraw/zinc/29/91/07/388299107.db2.gz ZUFXUXDITKAINN-LLVKDONJSA-N 1 2 244.294 1.814 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000491497741 388299110 /nfs/dbraw/zinc/29/91/10/388299110.db2.gz ZUFXUXDITKAINN-LLVKDONJSA-N 1 2 244.294 1.814 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451851017 388301528 /nfs/dbraw/zinc/30/15/28/388301528.db2.gz LCRJFHHKBINGJY-ZJUUUORDSA-N 1 2 237.290 1.261 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451851017 388301530 /nfs/dbraw/zinc/30/15/30/388301530.db2.gz LCRJFHHKBINGJY-ZJUUUORDSA-N 1 2 237.290 1.261 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000491626610 388305941 /nfs/dbraw/zinc/30/59/41/388305941.db2.gz KDLTVOUUQDBCOO-NSHDSACASA-N 1 2 205.305 1.918 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000491626610 388305942 /nfs/dbraw/zinc/30/59/42/388305942.db2.gz KDLTVOUUQDBCOO-NSHDSACASA-N 1 2 205.305 1.918 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000491635230 388307125 /nfs/dbraw/zinc/30/71/25/388307125.db2.gz VYIZVVOFFLTUJI-MNOVXSKESA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000491635230 388307126 /nfs/dbraw/zinc/30/71/26/388307126.db2.gz VYIZVVOFFLTUJI-MNOVXSKESA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](CC)CC1=O ZINC000491644290 388307517 /nfs/dbraw/zinc/30/75/17/388307517.db2.gz JUPLKGBUWUHBME-GHMZBOCLSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](CC)CC1=O ZINC000491644290 388307518 /nfs/dbraw/zinc/30/75/18/388307518.db2.gz JUPLKGBUWUHBME-GHMZBOCLSA-N 1 2 208.305 1.156 20 30 BDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000491658678 388308884 /nfs/dbraw/zinc/30/88/84/388308884.db2.gz LTIATDYEDVAPFO-ZDUSSCGKSA-N 1 2 246.285 1.496 20 30 BDEDLO C#CC[N@H+](C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000491658678 388308885 /nfs/dbraw/zinc/30/88/85/388308885.db2.gz LTIATDYEDVAPFO-ZDUSSCGKSA-N 1 2 246.285 1.496 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(C)cnc1=S ZINC000491697167 388311988 /nfs/dbraw/zinc/31/19/88/388311988.db2.gz GIYWPIHGEBXUBD-SNVBAGLBSA-N 1 2 221.329 1.832 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(C)cnc1=S ZINC000491697167 388311989 /nfs/dbraw/zinc/31/19/89/388311989.db2.gz GIYWPIHGEBXUBD-SNVBAGLBSA-N 1 2 221.329 1.832 20 30 BDEDLO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC000491733778 388316151 /nfs/dbraw/zinc/31/61/51/388316151.db2.gz KPIIDUUSMQOLIP-NWDGAFQWSA-N 1 2 247.342 1.998 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000491735563 388316257 /nfs/dbraw/zinc/31/62/57/388316257.db2.gz UHSPUSSCEIDNPJ-UHFFFAOYSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000491735563 388316258 /nfs/dbraw/zinc/31/62/58/388316258.db2.gz UHSPUSSCEIDNPJ-UHFFFAOYSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCC(C)C ZINC000491736198 388316433 /nfs/dbraw/zinc/31/64/33/388316433.db2.gz GKWPNRGBFJQWIN-ZDUSSCGKSA-N 1 2 234.343 1.106 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000491736536 388316450 /nfs/dbraw/zinc/31/64/50/388316450.db2.gz NKXZYABKJWCIRB-NSHDSACASA-N 1 2 248.326 1.217 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000491736536 388316451 /nfs/dbraw/zinc/31/64/51/388316451.db2.gz NKXZYABKJWCIRB-NSHDSACASA-N 1 2 248.326 1.217 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000491741307 388316808 /nfs/dbraw/zinc/31/68/08/388316808.db2.gz IEAZGQPBOFRWMH-NSHDSACASA-N 1 2 248.301 1.568 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000491741307 388316809 /nfs/dbraw/zinc/31/68/09/388316809.db2.gz IEAZGQPBOFRWMH-NSHDSACASA-N 1 2 248.301 1.568 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)cc1F ZINC000491764547 388318872 /nfs/dbraw/zinc/31/88/72/388318872.db2.gz AOLWTTNTCDWRBN-UHFFFAOYSA-N 1 2 231.270 1.903 20 30 BDEDLO C#CCN(C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000491772872 388319221 /nfs/dbraw/zinc/31/92/21/388319221.db2.gz APIDGYVGGDMHNB-UHFFFAOYSA-N 1 2 243.310 1.750 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC2(CCCC2)OC1=O ZINC000491788165 388321143 /nfs/dbraw/zinc/32/11/43/388321143.db2.gz XBMHPMQRPNANTQ-LLVKDONJSA-N 1 2 236.315 1.662 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC2(CCCC2)OC1=O ZINC000491788165 388321144 /nfs/dbraw/zinc/32/11/44/388321144.db2.gz XBMHPMQRPNANTQ-LLVKDONJSA-N 1 2 236.315 1.662 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cnnn1C)c1ccc(F)cc1 ZINC000491817130 388323468 /nfs/dbraw/zinc/32/34/68/388323468.db2.gz USDCSQFXFOOGKY-ZDUSSCGKSA-N 1 2 244.273 1.418 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000491072625 388268065 /nfs/dbraw/zinc/26/80/65/388268065.db2.gz URJJYBHDTWLPCS-DTWKUNHWSA-N 1 2 230.258 1.011 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000491072625 388268066 /nfs/dbraw/zinc/26/80/66/388268066.db2.gz URJJYBHDTWLPCS-DTWKUNHWSA-N 1 2 230.258 1.011 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nccc(C)n1 ZINC000491166013 388274091 /nfs/dbraw/zinc/27/40/91/388274091.db2.gz OZGFVVPZVZNCOP-UHFFFAOYSA-N 1 2 203.289 1.629 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nccc(C)n1 ZINC000491166013 388274094 /nfs/dbraw/zinc/27/40/94/388274094.db2.gz OZGFVVPZVZNCOP-UHFFFAOYSA-N 1 2 203.289 1.629 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000491180822 388275281 /nfs/dbraw/zinc/27/52/81/388275281.db2.gz NYPKDHXMHDXPLX-QMMMGPOBSA-N 1 2 236.237 1.009 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000491180822 388275282 /nfs/dbraw/zinc/27/52/82/388275282.db2.gz NYPKDHXMHDXPLX-QMMMGPOBSA-N 1 2 236.237 1.009 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Nc1cc[nH+]cc1C ZINC000491191293 388275770 /nfs/dbraw/zinc/27/57/70/388275770.db2.gz BZFUWKMDXSKLGY-JTQLQIEISA-N 1 2 217.272 1.345 20 30 BDEDLO C#CC[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000491219270 388278254 /nfs/dbraw/zinc/27/82/54/388278254.db2.gz DFLQPGUWOBCLKJ-UHFFFAOYSA-N 1 2 219.259 1.826 20 30 BDEDLO C#CC[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000491219270 388278255 /nfs/dbraw/zinc/27/82/55/388278255.db2.gz DFLQPGUWOBCLKJ-UHFFFAOYSA-N 1 2 219.259 1.826 20 30 BDEDLO C#CCn1ccc(C[N@H+](CC)CCF)n1 ZINC000491241444 388279085 /nfs/dbraw/zinc/27/90/85/388279085.db2.gz JKEIERFOFCAYEI-UHFFFAOYSA-N 1 2 209.268 1.308 20 30 BDEDLO C#CCn1ccc(C[N@@H+](CC)CCF)n1 ZINC000491241444 388279086 /nfs/dbraw/zinc/27/90/86/388279086.db2.gz JKEIERFOFCAYEI-UHFFFAOYSA-N 1 2 209.268 1.308 20 30 BDEDLO C[C@H](CNc1ccncc1C#N)Cn1cc[nH+]c1 ZINC000548481301 388360685 /nfs/dbraw/zinc/36/06/85/388360685.db2.gz MQPRVWVLVOTLOA-LLVKDONJSA-N 1 2 241.298 1.320 20 30 BDEDLO N#Cc1cnccc1NCCNc1cccc[nH+]1 ZINC000548479865 388360974 /nfs/dbraw/zinc/36/09/74/388360974.db2.gz AZAQJXIAVZQOPZ-UHFFFAOYSA-N 1 2 239.282 1.294 20 30 BDEDLO C[N@H+](Cc1ncccc1O)CC(C)(C)C#N ZINC000516590973 388364649 /nfs/dbraw/zinc/36/46/49/388364649.db2.gz ZUWRLGFDYDZAKX-UHFFFAOYSA-N 1 2 219.288 1.769 20 30 BDEDLO C[N@@H+](Cc1ncccc1O)CC(C)(C)C#N ZINC000516590973 388364650 /nfs/dbraw/zinc/36/46/50/388364650.db2.gz ZUWRLGFDYDZAKX-UHFFFAOYSA-N 1 2 219.288 1.769 20 30 BDEDLO CC[C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572726461 388370776 /nfs/dbraw/zinc/37/07/76/388370776.db2.gz XLDVXDMPRSHAFY-ZYHUDNBSSA-N 1 2 225.336 1.383 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245544899 388423162 /nfs/dbraw/zinc/42/31/62/388423162.db2.gz SVOPYRVMEBJSNE-UWVGGRQHSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245544899 388423165 /nfs/dbraw/zinc/42/31/65/388423165.db2.gz SVOPYRVMEBJSNE-UWVGGRQHSA-N 1 2 220.272 1.760 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CCC1 ZINC000573176512 388427836 /nfs/dbraw/zinc/42/78/36/388427836.db2.gz KYOLSXFDMAKEKS-GFCCVEGCSA-N 1 2 247.342 1.423 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CCC1 ZINC000573176512 388427839 /nfs/dbraw/zinc/42/78/39/388427839.db2.gz KYOLSXFDMAKEKS-GFCCVEGCSA-N 1 2 247.342 1.423 20 30 BDEDLO C=CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000517245306 388545499 /nfs/dbraw/zinc/54/54/99/388545499.db2.gz WIARQRWOOYXMKV-UHFFFAOYSA-N 1 2 202.257 1.627 20 30 BDEDLO C=CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000517245306 388545501 /nfs/dbraw/zinc/54/55/01/388545501.db2.gz WIARQRWOOYXMKV-UHFFFAOYSA-N 1 2 202.257 1.627 20 30 BDEDLO C=CCC[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528471999 388531296 /nfs/dbraw/zinc/53/12/96/388531296.db2.gz JQXKVIDMPHNJBR-UHFFFAOYSA-N 1 2 243.328 1.691 20 30 BDEDLO C=CCC[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528471999 388531299 /nfs/dbraw/zinc/53/12/99/388531299.db2.gz JQXKVIDMPHNJBR-UHFFFAOYSA-N 1 2 243.328 1.691 20 30 BDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000106361302 388595512 /nfs/dbraw/zinc/59/55/12/388595512.db2.gz USMJRWHHBPZGCV-ZDUSSCGKSA-N 1 2 243.310 1.269 20 30 BDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000106361302 388595516 /nfs/dbraw/zinc/59/55/16/388595516.db2.gz USMJRWHHBPZGCV-ZDUSSCGKSA-N 1 2 243.310 1.269 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCCOC1 ZINC000356353571 388607863 /nfs/dbraw/zinc/60/78/63/388607863.db2.gz ZUKZQTICDFPMKV-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCCOC1 ZINC000356353571 388607866 /nfs/dbraw/zinc/60/78/66/388607866.db2.gz ZUKZQTICDFPMKV-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO C#CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000192681730 388681159 /nfs/dbraw/zinc/68/11/59/388681159.db2.gz CUHJXLPOBGADPC-QMMMGPOBSA-N 1 2 207.277 1.651 20 30 BDEDLO Cc1ccc2[nH+]c(CNC[C@@H](C)C#N)cn2c1 ZINC000551804041 388641037 /nfs/dbraw/zinc/64/10/37/388641037.db2.gz MFLUXUAXMKEUCB-NSHDSACASA-N 1 2 228.299 1.892 20 30 BDEDLO Cc1ccc2nc(C[NH2+]C[C@@H](C)C#N)cn2c1 ZINC000551804041 388641038 /nfs/dbraw/zinc/64/10/38/388641038.db2.gz MFLUXUAXMKEUCB-NSHDSACASA-N 1 2 228.299 1.892 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCCCNC1=O ZINC000123884420 388736718 /nfs/dbraw/zinc/73/67/18/388736718.db2.gz CGKIFFOTCRFJQC-LBPRGKRZSA-N 1 2 247.298 1.252 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCCCNC1=O ZINC000123884420 388736720 /nfs/dbraw/zinc/73/67/20/388736720.db2.gz CGKIFFOTCRFJQC-LBPRGKRZSA-N 1 2 247.298 1.252 20 30 BDEDLO C=CC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128098135 388737253 /nfs/dbraw/zinc/73/72/53/388737253.db2.gz UYCBCGRBOMVOOV-VIFPVBQESA-N 1 2 222.254 1.741 20 30 BDEDLO C=CC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128098135 388737254 /nfs/dbraw/zinc/73/72/54/388737254.db2.gz UYCBCGRBOMVOOV-VIFPVBQESA-N 1 2 222.254 1.741 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000126120181 388688795 /nfs/dbraw/zinc/68/87/95/388688795.db2.gz KKZWFGFRAYYMJU-NSHDSACASA-N 1 2 234.299 1.158 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000126120181 388688798 /nfs/dbraw/zinc/68/87/98/388688798.db2.gz KKZWFGFRAYYMJU-NSHDSACASA-N 1 2 234.299 1.158 20 30 BDEDLO C=CCOCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552558599 388725004 /nfs/dbraw/zinc/72/50/04/388725004.db2.gz FTEGKCOPAGLNJS-SNVBAGLBSA-N 1 2 237.303 1.570 20 30 BDEDLO N#Cc1cnccc1N1CCn2c[nH+]cc2C1 ZINC000377980389 388727170 /nfs/dbraw/zinc/72/71/70/388727170.db2.gz AAEQBNFPDXHUKK-UHFFFAOYSA-N 1 2 225.255 1.170 20 30 BDEDLO CN(CC[N@H+](C)C1CC1)c1ncccc1C#N ZINC000274529581 388732374 /nfs/dbraw/zinc/73/23/74/388732374.db2.gz YKSNMBMHGPRHHS-UHFFFAOYSA-N 1 2 230.315 1.484 20 30 BDEDLO CN(CC[N@@H+](C)C1CC1)c1ncccc1C#N ZINC000274529581 388732376 /nfs/dbraw/zinc/73/23/76/388732376.db2.gz YKSNMBMHGPRHHS-UHFFFAOYSA-N 1 2 230.315 1.484 20 30 BDEDLO Cc1cc(N[C@H]2CC23CCOCC3)c(C#N)c[nH+]1 ZINC000333337915 388813804 /nfs/dbraw/zinc/81/38/04/388813804.db2.gz XKWKEYVESMZPNL-ZDUSSCGKSA-N 1 2 243.310 1.665 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCNC1=O ZINC000334978789 388826007 /nfs/dbraw/zinc/82/60/07/388826007.db2.gz QYWPCHOVFMIIOQ-GFCCVEGCSA-N 1 2 247.273 1.018 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCNC1=O ZINC000334978789 388826012 /nfs/dbraw/zinc/82/60/12/388826012.db2.gz QYWPCHOVFMIIOQ-GFCCVEGCSA-N 1 2 247.273 1.018 20 30 BDEDLO COC(=O)c1cc(C[N@H+](CCC#N)C(C)C)c[nH]1 ZINC000565908151 388977519 /nfs/dbraw/zinc/97/75/19/388977519.db2.gz YYFXBYDQMBRFGS-UHFFFAOYSA-N 1 2 249.314 1.925 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](CCC#N)C(C)C)c[nH]1 ZINC000565908151 388977523 /nfs/dbraw/zinc/97/75/23/388977523.db2.gz YYFXBYDQMBRFGS-UHFFFAOYSA-N 1 2 249.314 1.925 20 30 BDEDLO C/C(=N\OCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000267737546 533417540 /nfs/dbraw/zinc/41/75/40/533417540.db2.gz FGPYUSJHNHDKKS-NTEUORMPSA-N 1 2 233.275 1.094 20 30 BDEDLO C=C(C)CC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000352413674 533484506 /nfs/dbraw/zinc/48/45/06/533484506.db2.gz QAYJKJQXYHHOGR-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C=C(C)CC[N@H+](C)Cc1ncnn1CC(F)F ZINC000352413674 533484510 /nfs/dbraw/zinc/48/45/10/533484510.db2.gz QAYJKJQXYHHOGR-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000331949188 134003098 /nfs/dbraw/zinc/00/30/98/134003098.db2.gz KGQBRITZRBJFNV-VXGBXAGGSA-N 1 2 238.331 1.152 20 30 BDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000331949188 134003099 /nfs/dbraw/zinc/00/30/99/134003099.db2.gz KGQBRITZRBJFNV-VXGBXAGGSA-N 1 2 238.331 1.152 20 30 BDEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCNC1=O ZINC000335951320 134021592 /nfs/dbraw/zinc/02/15/92/134021592.db2.gz IBWLHHHUUUGYHT-NSHDSACASA-N 1 2 247.273 1.018 20 30 BDEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCNC1=O ZINC000335951320 134021593 /nfs/dbraw/zinc/02/15/93/134021593.db2.gz IBWLHHHUUUGYHT-NSHDSACASA-N 1 2 247.273 1.018 20 30 BDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC#N)C2 ZINC000336070823 134071716 /nfs/dbraw/zinc/07/17/16/134071716.db2.gz URJXHOIFTPIPDO-VIFPVBQESA-N 1 2 246.314 1.278 20 30 BDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC#N)CC2 ZINC000336070823 134071717 /nfs/dbraw/zinc/07/17/17/134071717.db2.gz URJXHOIFTPIPDO-VIFPVBQESA-N 1 2 246.314 1.278 20 30 BDEDLO Cc1[nH+]c2ccc(C(=O)NCC#N)cc2n1C ZINC000336070679 134072031 /nfs/dbraw/zinc/07/20/31/134072031.db2.gz BTVQRWLZRJGRHM-UHFFFAOYSA-N 1 2 228.255 1.135 20 30 BDEDLO N#CC[C@H](O)CSc1[nH+]cc2ccccn21 ZINC000352169046 134090827 /nfs/dbraw/zinc/09/08/27/134090827.db2.gz XKYUDCVOFZKNLW-JTQLQIEISA-N 1 2 233.296 1.701 20 30 BDEDLO C[C@H]1C[N@H+](CCC(C)(C)C#N)CC(=O)N1C ZINC000336326075 134143831 /nfs/dbraw/zinc/14/38/31/134143831.db2.gz FCFCHKMMDBRFMO-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CC(=O)N1C ZINC000336326075 134143832 /nfs/dbraw/zinc/14/38/32/134143832.db2.gz FCFCHKMMDBRFMO-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC1(C#N)CC1 ZINC000352887944 134157037 /nfs/dbraw/zinc/15/70/37/134157037.db2.gz LSAAHSOERUIIQV-CHWSQXEVSA-N 1 2 249.358 1.085 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000353594987 134164605 /nfs/dbraw/zinc/16/46/05/134164605.db2.gz GUMMUAYEJUOOFP-BXUZGUMPSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358390703 134187844 /nfs/dbraw/zinc/18/78/44/134187844.db2.gz HLLOKZKIHYJDCR-IINYFYTJSA-N 1 2 247.342 1.986 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358390703 134187845 /nfs/dbraw/zinc/18/78/45/134187845.db2.gz HLLOKZKIHYJDCR-IINYFYTJSA-N 1 2 247.342 1.986 20 30 BDEDLO C=CCOCC(=O)Nc1cccc2[nH+]ccn21 ZINC000358791588 134192387 /nfs/dbraw/zinc/19/23/87/134192387.db2.gz OLAUIESJWKHKOM-UHFFFAOYSA-N 1 2 231.255 1.475 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361986084 134208493 /nfs/dbraw/zinc/20/84/93/134208493.db2.gz PJDKQJSAEDKWJF-OAHLLOKOSA-N 1 2 245.322 1.790 20 30 BDEDLO CC#CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361986084 134208494 /nfs/dbraw/zinc/20/84/94/134208494.db2.gz PJDKQJSAEDKWJF-OAHLLOKOSA-N 1 2 245.322 1.790 20 30 BDEDLO CC#CCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000362164266 134209207 /nfs/dbraw/zinc/20/92/07/134209207.db2.gz VDBHMKIXSIQABK-UHFFFAOYSA-N 1 2 233.315 1.572 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000368512791 134218566 /nfs/dbraw/zinc/21/85/66/134218566.db2.gz XJQVMSIIZTWTAP-VXGBXAGGSA-N 1 2 224.304 1.170 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000368512791 134218567 /nfs/dbraw/zinc/21/85/67/134218567.db2.gz XJQVMSIIZTWTAP-VXGBXAGGSA-N 1 2 224.304 1.170 20 30 BDEDLO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCC#N)n1 ZINC000368689806 134220268 /nfs/dbraw/zinc/22/02/68/134220268.db2.gz RDIMJSWNBJKZJO-CYBMUJFWSA-N 1 2 247.346 1.663 20 30 BDEDLO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCC#N)n1 ZINC000368689806 134220269 /nfs/dbraw/zinc/22/02/69/134220269.db2.gz RDIMJSWNBJKZJO-CYBMUJFWSA-N 1 2 247.346 1.663 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368949146 134220867 /nfs/dbraw/zinc/22/08/67/134220867.db2.gz HBBNARMRHYIJTL-MNOVXSKESA-N 1 2 233.315 1.526 20 30 BDEDLO C[C@@H]1C[N@H+](CCC#N)CC2(CCOCC2)O1 ZINC000369282534 134222510 /nfs/dbraw/zinc/22/25/10/134222510.db2.gz HKUKUNZVPPCYPZ-LLVKDONJSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@@H]1C[N@@H+](CCC#N)CC2(CCOCC2)O1 ZINC000369282534 134222511 /nfs/dbraw/zinc/22/25/11/134222511.db2.gz HKUKUNZVPPCYPZ-LLVKDONJSA-N 1 2 224.304 1.170 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H]1c1nccn1C ZINC000371507196 134228985 /nfs/dbraw/zinc/22/89/85/134228985.db2.gz YLWXRKBAIFWIAX-NSHDSACASA-N 1 2 203.289 1.580 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H]1c1nccn1C ZINC000371507196 134228986 /nfs/dbraw/zinc/22/89/86/134228986.db2.gz YLWXRKBAIFWIAX-NSHDSACASA-N 1 2 203.289 1.580 20 30 BDEDLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C#N ZINC000374628236 134237505 /nfs/dbraw/zinc/23/75/05/134237505.db2.gz YRAXNHKQTPDTRO-KGYLQXTDSA-N 1 2 235.331 1.374 20 30 BDEDLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)C#N ZINC000374628236 134237506 /nfs/dbraw/zinc/23/75/06/134237506.db2.gz YRAXNHKQTPDTRO-KGYLQXTDSA-N 1 2 235.331 1.374 20 30 BDEDLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C#N ZINC000374628237 134237576 /nfs/dbraw/zinc/23/75/76/134237576.db2.gz YRAXNHKQTPDTRO-RAIGVLPGSA-N 1 2 235.331 1.374 20 30 BDEDLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)C#N ZINC000374628237 134237577 /nfs/dbraw/zinc/23/75/77/134237577.db2.gz YRAXNHKQTPDTRO-RAIGVLPGSA-N 1 2 235.331 1.374 20 30 BDEDLO C#CC[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374855905 134238047 /nfs/dbraw/zinc/23/80/47/134238047.db2.gz MDNJLNYSMRXDJQ-UHFFFAOYSA-N 1 2 217.268 1.523 20 30 BDEDLO C#CC[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374855905 134238048 /nfs/dbraw/zinc/23/80/48/134238048.db2.gz MDNJLNYSMRXDJQ-UHFFFAOYSA-N 1 2 217.268 1.523 20 30 BDEDLO C=C(C)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526970 134243940 /nfs/dbraw/zinc/24/39/40/134243940.db2.gz YBJWLOGHSYNHRH-SECBINFHSA-N 1 2 222.292 1.266 20 30 BDEDLO C=C(C)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526970 134243941 /nfs/dbraw/zinc/24/39/41/134243941.db2.gz YBJWLOGHSYNHRH-SECBINFHSA-N 1 2 222.292 1.266 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccco1 ZINC000053094873 134385593 /nfs/dbraw/zinc/38/55/93/134385593.db2.gz DSAYFBIQNQSKBL-NSHDSACASA-N 1 2 249.314 1.472 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccco1 ZINC000053094873 134385594 /nfs/dbraw/zinc/38/55/94/134385594.db2.gz DSAYFBIQNQSKBL-NSHDSACASA-N 1 2 249.314 1.472 20 30 BDEDLO C=CC[N@@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000337187462 135005202 /nfs/dbraw/zinc/00/52/02/135005202.db2.gz QBGYNEGKXZVUCE-UHFFFAOYSA-N 1 2 222.292 1.286 20 30 BDEDLO C=CC[N@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000337187462 135005205 /nfs/dbraw/zinc/00/52/05/135005205.db2.gz QBGYNEGKXZVUCE-UHFFFAOYSA-N 1 2 222.292 1.286 20 30 BDEDLO C=CCOc1ccccc1C[NH+]1CCN(C)CC1 ZINC000112143134 135026414 /nfs/dbraw/zinc/02/64/14/135026414.db2.gz WJFZEHQOYHYBKY-UHFFFAOYSA-N 1 2 246.354 1.999 20 30 BDEDLO CCN(CC[N@@H+]1CCO[C@H](C)C1)C[C@H](C)C#N ZINC000249060008 135032480 /nfs/dbraw/zinc/03/24/80/135032480.db2.gz PMSUJROQYFPGJX-CHWSQXEVSA-N 1 2 239.363 1.189 20 30 BDEDLO CCN(CC[N@H+]1CCO[C@H](C)C1)C[C@H](C)C#N ZINC000249060008 135032483 /nfs/dbraw/zinc/03/24/83/135032483.db2.gz PMSUJROQYFPGJX-CHWSQXEVSA-N 1 2 239.363 1.189 20 30 BDEDLO C[C@H](C#N)CN(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000338304523 135032643 /nfs/dbraw/zinc/03/26/43/135032643.db2.gz OYRGEGZZALVALE-LLVKDONJSA-N 1 2 246.314 1.424 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(C)C ZINC000249984056 135047797 /nfs/dbraw/zinc/04/77/97/135047797.db2.gz RYIKSIINHIIJBD-NWDGAFQWSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(C)C ZINC000249984056 135047798 /nfs/dbraw/zinc/04/77/98/135047798.db2.gz RYIKSIINHIIJBD-NWDGAFQWSA-N 1 2 239.363 1.629 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)C#N ZINC000339176700 135063756 /nfs/dbraw/zinc/06/37/56/135063756.db2.gz KAURHTQQUSBVFX-UHFFFAOYSA-N 1 2 234.303 1.019 20 30 BDEDLO C=CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339229731 135067378 /nfs/dbraw/zinc/06/73/78/135067378.db2.gz JANAKWRRLGLWHL-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339229731 135067379 /nfs/dbraw/zinc/06/73/79/135067379.db2.gz JANAKWRRLGLWHL-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO N#CCN(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000263994663 135129692 /nfs/dbraw/zinc/12/96/92/135129692.db2.gz IKRNZEORIZPZKK-UHFFFAOYSA-N 1 2 240.266 1.462 20 30 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176312004 /nfs/dbraw/zinc/31/20/04/176312004.db2.gz QPPRTOIOZMGULC-PSASIEDQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1O ZINC000356417272 177270209 /nfs/dbraw/zinc/27/02/09/177270209.db2.gz QPPRTOIOZMGULC-WCBMZHEXSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1O ZINC000356417272 177270210 /nfs/dbraw/zinc/27/02/10/177270210.db2.gz QPPRTOIOZMGULC-WCBMZHEXSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1O ZINC000356417273 177270646 /nfs/dbraw/zinc/27/06/46/177270646.db2.gz QPPRTOIOZMGULC-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1O ZINC000356417273 177270648 /nfs/dbraw/zinc/27/06/48/177270648.db2.gz QPPRTOIOZMGULC-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296157006 177274741 /nfs/dbraw/zinc/27/47/41/177274741.db2.gz KDMGYERLCUFZFK-WDEREUQCSA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296157006 177274742 /nfs/dbraw/zinc/27/47/42/177274742.db2.gz KDMGYERLCUFZFK-WDEREUQCSA-N 1 2 243.310 1.440 20 30 BDEDLO CN(C)C(=O)OC1CC[NH+](CCC#N)CC1 ZINC000495665484 226285700 /nfs/dbraw/zinc/28/57/00/226285700.db2.gz URKKYPULYOFQHO-UHFFFAOYSA-N 1 2 225.292 1.063 20 30 BDEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495688412 226285969 /nfs/dbraw/zinc/28/59/69/226285969.db2.gz OHHVOESFXMTFPI-NSHDSACASA-N 1 2 239.319 1.453 20 30 BDEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495688412 226285970 /nfs/dbraw/zinc/28/59/70/226285970.db2.gz OHHVOESFXMTFPI-NSHDSACASA-N 1 2 239.319 1.453 20 30 BDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000497059700 226321450 /nfs/dbraw/zinc/32/14/50/226321450.db2.gz YHKMSCWWZMGGLK-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000497059700 226321451 /nfs/dbraw/zinc/32/14/51/226321451.db2.gz YHKMSCWWZMGGLK-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c(C#N)cn1 ZINC000399431258 262783647 /nfs/dbraw/zinc/78/36/47/262783647.db2.gz IERFKERZOHDCQH-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO C=CC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671711446 487701686 /nfs/dbraw/zinc/70/16/86/487701686.db2.gz BUCOMZCBDTYBHZ-HTQZYQBOSA-N 1 2 209.211 1.824 20 30 BDEDLO C=CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671711446 487701689 /nfs/dbraw/zinc/70/16/89/487701689.db2.gz BUCOMZCBDTYBHZ-HTQZYQBOSA-N 1 2 209.211 1.824 20 30 BDEDLO Cc1cc(NC[C@@]2(C)CCOC2)c(C#N)c[nH+]1 ZINC000399418233 267300263 /nfs/dbraw/zinc/30/02/63/267300263.db2.gz GVPSZCCBTCVHTC-CYBMUJFWSA-N 1 2 231.299 1.522 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668941925 487790291 /nfs/dbraw/zinc/79/02/91/487790291.db2.gz VYFPFSLRFDBDNK-NSHDSACASA-N 1 2 247.342 1.939 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668941925 487790299 /nfs/dbraw/zinc/79/02/99/487790299.db2.gz VYFPFSLRFDBDNK-NSHDSACASA-N 1 2 247.342 1.939 20 30 BDEDLO C=CCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000666491985 487821004 /nfs/dbraw/zinc/82/10/04/487821004.db2.gz JJAVURIONAGSRU-UHFFFAOYSA-N 1 2 205.261 1.510 20 30 BDEDLO Cc1nnc([C@H](C)Nc2cc(C)[nH+]cc2C#N)o1 ZINC000569113261 322944351 /nfs/dbraw/zinc/94/43/51/322944351.db2.gz XQLSIRKVHWLJTA-QMMMGPOBSA-N 1 2 243.270 1.548 20 30 BDEDLO COC1(C)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000335735197 487831903 /nfs/dbraw/zinc/83/19/03/487831903.db2.gz XGPSCUHIPLDXOL-UHFFFAOYSA-N 1 2 216.284 1.779 20 30 BDEDLO C=C[C@@](C)(O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668090729 487834633 /nfs/dbraw/zinc/83/46/33/487834633.db2.gz REMMTBDNGSWSNX-GXFFZTMASA-N 1 2 249.314 1.053 20 30 BDEDLO C=C[C@](C)(O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668090730 487834714 /nfs/dbraw/zinc/83/47/14/487834714.db2.gz REMMTBDNGSWSNX-MFKMUULPSA-N 1 2 249.314 1.053 20 30 BDEDLO C=C(C)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682033412 487885479 /nfs/dbraw/zinc/88/54/79/487885479.db2.gz VTPJTBPVZQIMKB-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=C(C)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682033412 487885481 /nfs/dbraw/zinc/88/54/81/487885481.db2.gz VTPJTBPVZQIMKB-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933857 487938619 /nfs/dbraw/zinc/93/86/19/487938619.db2.gz DREOFWBPDXLIPG-DGCLKSJQSA-N 1 2 235.327 1.468 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933857 487938623 /nfs/dbraw/zinc/93/86/23/487938623.db2.gz DREOFWBPDXLIPG-DGCLKSJQSA-N 1 2 235.327 1.468 20 30 BDEDLO Cc1c[nH+]ccc1CCNc1cc(C#N)ncn1 ZINC000562419817 323019431 /nfs/dbraw/zinc/01/94/31/323019431.db2.gz BLAJEPUODBIXBH-UHFFFAOYSA-N 1 2 239.282 1.128 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000572638189 323050983 /nfs/dbraw/zinc/05/09/83/323050983.db2.gz TZCBGKCYIGQLKY-VXNVDRBHSA-N 1 2 225.317 1.224 20 30 BDEDLO Cc1ccccc1[C@@H](CO)[NH2+]CCC#N ZINC000563221091 323104474 /nfs/dbraw/zinc/10/44/74/323104474.db2.gz VWEIRZXNXXYNHQ-GFCCVEGCSA-N 1 2 204.273 1.532 20 30 BDEDLO C#CC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000192234875 323178645 /nfs/dbraw/zinc/17/86/45/323178645.db2.gz ONJQKQSVNUHFTK-UHFFFAOYSA-N 1 2 217.228 1.395 20 30 BDEDLO C#CC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000192234875 323178646 /nfs/dbraw/zinc/17/86/46/323178646.db2.gz ONJQKQSVNUHFTK-UHFFFAOYSA-N 1 2 217.228 1.395 20 30 BDEDLO C[C@@H](C#N)CNc1[nH+]cnc2[nH]ccc21 ZINC000308983724 323183451 /nfs/dbraw/zinc/18/34/51/323183451.db2.gz IYUOGNZKALOTPX-ZETCQYMHSA-N 1 2 201.233 1.529 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN(CCOCC)CC1 ZINC000677048275 487958737 /nfs/dbraw/zinc/95/87/37/487958737.db2.gz TXPQXLVKYSPPAU-CQSZACIVSA-N 1 2 238.375 1.442 20 30 BDEDLO CCC1(CO)CC[NH+](C(C)(C)C#N)CC1 ZINC000162157500 323598137 /nfs/dbraw/zinc/59/81/37/323598137.db2.gz UXJBLAIQAYEPQX-UHFFFAOYSA-N 1 2 210.321 1.773 20 30 BDEDLO C#CC[C@H](C)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363717736 487959034 /nfs/dbraw/zinc/95/90/34/487959034.db2.gz HIERAAIPZTYXAR-JTQLQIEISA-N 1 2 246.314 1.129 20 30 BDEDLO C#CC[C@@H](C)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363717737 487959443 /nfs/dbraw/zinc/95/94/43/487959443.db2.gz HIERAAIPZTYXAR-SNVBAGLBSA-N 1 2 246.314 1.129 20 30 BDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667257725 487963079 /nfs/dbraw/zinc/96/30/79/487963079.db2.gz TVZNFMKSXHPFJG-NSHDSACASA-N 1 2 248.330 1.865 20 30 BDEDLO Cc1nnc(C[NH+]2CCC(CC#N)CC2)n1C ZINC000542883497 325060316 /nfs/dbraw/zinc/06/03/16/325060316.db2.gz MMKVELOIXYILQT-UHFFFAOYSA-N 1 2 233.319 1.249 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000131278006 325133755 /nfs/dbraw/zinc/13/37/55/325133755.db2.gz VBJZKNLANULLKQ-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000131278006 325133757 /nfs/dbraw/zinc/13/37/57/325133757.db2.gz VBJZKNLANULLKQ-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000154324227 326139790 /nfs/dbraw/zinc/13/97/90/326139790.db2.gz JIHBLKNGJJUDTF-UHFFFAOYSA-N 1 2 230.271 1.749 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000154324227 326139792 /nfs/dbraw/zinc/13/97/92/326139792.db2.gz JIHBLKNGJJUDTF-UHFFFAOYSA-N 1 2 230.271 1.749 20 30 BDEDLO CCc1occc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567356471 326172920 /nfs/dbraw/zinc/17/29/20/326172920.db2.gz MJDKYDCORMVBRQ-ZDUSSCGKSA-N 1 2 249.314 1.416 20 30 BDEDLO C=CC[N@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000602916836 488002287 /nfs/dbraw/zinc/00/22/87/488002287.db2.gz RJDLPICLCYMQNK-GFCCVEGCSA-N 1 2 227.304 1.217 20 30 BDEDLO C=CC[N@@H+]1CCCC[C@@]1(COC)C(=O)OC ZINC000602916836 488002292 /nfs/dbraw/zinc/00/22/92/488002292.db2.gz RJDLPICLCYMQNK-GFCCVEGCSA-N 1 2 227.304 1.217 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000491703976 488037391 /nfs/dbraw/zinc/03/73/91/488037391.db2.gz TXJZDUJHCDOKQJ-QMMMGPOBSA-N 1 2 236.275 1.319 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000491703976 488037398 /nfs/dbraw/zinc/03/73/98/488037398.db2.gz TXJZDUJHCDOKQJ-QMMMGPOBSA-N 1 2 236.275 1.319 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000121419155 488062433 /nfs/dbraw/zinc/06/24/33/488062433.db2.gz LYIOZFSCZLJTIZ-UHFFFAOYSA-N 1 2 219.244 1.947 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000121419155 488062438 /nfs/dbraw/zinc/06/24/38/488062438.db2.gz LYIOZFSCZLJTIZ-UHFFFAOYSA-N 1 2 219.244 1.947 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682549524 488118402 /nfs/dbraw/zinc/11/84/02/488118402.db2.gz YNJHRMPWUQMUFG-ZJUUUORDSA-N 1 2 235.274 1.015 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682549524 488118407 /nfs/dbraw/zinc/11/84/07/488118407.db2.gz YNJHRMPWUQMUFG-ZJUUUORDSA-N 1 2 235.274 1.015 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666259382 488185580 /nfs/dbraw/zinc/18/55/80/488185580.db2.gz FZBIPNRFRGBRFU-VXGBXAGGSA-N 1 2 247.342 1.948 20 30 BDEDLO CC[C@H]([NH2+]CCc1cccc(C#N)c1)C(=O)OC ZINC000355678237 490264502 /nfs/dbraw/zinc/26/45/02/490264502.db2.gz ZBBYFXKFQOUBPA-ZDUSSCGKSA-N 1 2 246.310 1.642 20 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JVMMPKKEDHOXEL-XJIUSYNZSA-N 1 2 244.298 1.574 20 30 BDEDLO C=CC[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000302142008 534319674 /nfs/dbraw/zinc/31/96/74/534319674.db2.gz PKNDFXQTUPIHSZ-VIFPVBQESA-N 1 2 244.298 1.561 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261556513 534341350 /nfs/dbraw/zinc/34/13/50/534341350.db2.gz VZRUYGMIXCXFCV-YUMQZZPRSA-N 1 2 218.247 1.064 20 30 BDEDLO C=C(Cl)C[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000375344684 534437563 /nfs/dbraw/zinc/43/75/63/534437563.db2.gz HUWLSMJPZQUICO-UHFFFAOYSA-N 1 2 240.738 1.593 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372322584 534447698 /nfs/dbraw/zinc/44/76/98/534447698.db2.gz YXBQMDKQWDHHMK-VIFPVBQESA-N 1 2 239.706 1.314 20 30 BDEDLO C=CC1CC[NH+](Cc2noc(COC)n2)CC1 ZINC000182475379 534530038 /nfs/dbraw/zinc/53/00/38/534530038.db2.gz QEEVZYWHSYRUNH-UHFFFAOYSA-N 1 2 237.303 1.614 20 30 BDEDLO C=C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336584384 534640038 /nfs/dbraw/zinc/64/00/38/534640038.db2.gz JLZMVIDRSFNCLS-JTQLQIEISA-N 1 2 248.330 1.873 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336499627 534647968 /nfs/dbraw/zinc/64/79/68/534647968.db2.gz DWLPQXMSFFBMSK-VHSXEESVSA-N 1 2 234.303 1.072 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000336515283 534696504 /nfs/dbraw/zinc/69/65/04/534696504.db2.gz OILUCTQJSWXIGT-JTQLQIEISA-N 1 2 206.293 1.654 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000336515283 534696507 /nfs/dbraw/zinc/69/65/07/534696507.db2.gz OILUCTQJSWXIGT-JTQLQIEISA-N 1 2 206.293 1.654 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C)n1C ZINC000336092494 534696548 /nfs/dbraw/zinc/69/65/48/534696548.db2.gz DGAVMNAZAAHXNP-NSHDSACASA-N 1 2 220.320 1.664 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C)n1C ZINC000336092494 534696550 /nfs/dbraw/zinc/69/65/50/534696550.db2.gz DGAVMNAZAAHXNP-NSHDSACASA-N 1 2 220.320 1.664 20 30 BDEDLO CC#CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000342435361 534712471 /nfs/dbraw/zinc/71/24/71/534712471.db2.gz YHDROOHZHTVLRZ-UHFFFAOYSA-N 1 2 242.282 1.157 20 30 BDEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000367475704 534750123 /nfs/dbraw/zinc/75/01/23/534750123.db2.gz DKFDGYUHGCCYAK-ZJUUUORDSA-N 1 2 246.301 1.845 20 30 BDEDLO C=CCCC[C@H](C)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354933741 534756181 /nfs/dbraw/zinc/75/61/81/534756181.db2.gz XPNMUVPFGMBFCO-JTQLQIEISA-N 1 2 236.319 1.544 20 30 BDEDLO C=CCCC[C@H](C)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354933741 534756184 /nfs/dbraw/zinc/75/61/84/534756184.db2.gz XPNMUVPFGMBFCO-JTQLQIEISA-N 1 2 236.319 1.544 20 30 BDEDLO C=CCCC[C@H](C)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000354933741 534756185 /nfs/dbraw/zinc/75/61/85/534756185.db2.gz XPNMUVPFGMBFCO-JTQLQIEISA-N 1 2 236.319 1.544 20 30 BDEDLO C=CCCC[C@H](C)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000354933741 534756186 /nfs/dbraw/zinc/75/61/86/534756186.db2.gz XPNMUVPFGMBFCO-JTQLQIEISA-N 1 2 236.319 1.544 20 30 BDEDLO C=CCOC[C@H]([NH2+]C1CCCCC1)C(=O)OC ZINC000361112240 534880501 /nfs/dbraw/zinc/88/05/01/534880501.db2.gz XHXGTCXPEQXGTC-LBPRGKRZSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H]1CC)C(=O)OC ZINC000348354437 534880550 /nfs/dbraw/zinc/88/05/50/534880550.db2.gz BGBXHVAZQWONFI-UTUOFQBUSA-N 1 2 241.331 1.509 20 30 BDEDLO C=C1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC000487413636 526905267 /nfs/dbraw/zinc/90/52/67/526905267.db2.gz LJOIVRRJNGIQET-UHFFFAOYSA-N 1 2 205.305 1.881 20 30 BDEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000491066031 526977728 /nfs/dbraw/zinc/97/77/28/526977728.db2.gz AZKLQZUBLGGGFS-SNVBAGLBSA-N 1 2 244.285 1.246 20 30 BDEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000491066031 526977732 /nfs/dbraw/zinc/97/77/32/526977732.db2.gz AZKLQZUBLGGGFS-SNVBAGLBSA-N 1 2 244.285 1.246 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](CCC)C(=O)OCC)C(C)C ZINC000300900829 527413548 /nfs/dbraw/zinc/41/35/48/527413548.db2.gz KXSRBEFFUCJFBV-RYUDHWBXSA-N 1 2 225.332 1.966 20 30 BDEDLO CCc1ccc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000347786754 536175870 /nfs/dbraw/zinc/17/58/70/536175870.db2.gz PHMQNJMIEAEQCP-UHFFFAOYSA-N 1 2 244.342 1.285 20 30 BDEDLO COCCOc1ccccc1C[NH2+]CCC#N ZINC000358197525 536730889 /nfs/dbraw/zinc/73/08/89/536730889.db2.gz SUKOVIRRTFCYHG-UHFFFAOYSA-N 1 2 234.299 1.715 20 30 BDEDLO C=CCCN(C)c1nc(N)[nH+]c(C(C)(C)C)n1 ZINC000893409767 583139162 /nfs/dbraw/zinc/13/91/62/583139162.db2.gz WANBLIUVEZBTRO-UHFFFAOYSA-N 1 2 235.335 1.764 20 30 BDEDLO C=CCCN(C)c1nc(N)nc(C(C)(C)C)[nH+]1 ZINC000893409767 583139163 /nfs/dbraw/zinc/13/91/63/583139163.db2.gz WANBLIUVEZBTRO-UHFFFAOYSA-N 1 2 235.335 1.764 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)nn1 ZINC000877320479 583311861 /nfs/dbraw/zinc/31/18/61/583311861.db2.gz IRGRHRKTNQUBON-SSDOTTSWSA-N 1 2 210.668 1.522 20 30 BDEDLO COC(=O)N(C)CC/[NH+]=C/c1ccccc1O ZINC000852998275 588715006 /nfs/dbraw/zinc/71/50/06/588715006.db2.gz JUMAPGWOCNZILN-UKTHLTGXSA-N 1 2 236.271 1.509 20 30 BDEDLO CC(C)CON=Cc1c[nH+]c2n1CCC2 ZINC000853323419 588732688 /nfs/dbraw/zinc/73/26/88/588732688.db2.gz WRCGDWAKMNOGGE-UHFFFAOYSA-N 1 2 207.277 1.836 20 30 BDEDLO Fc1cc(NN=Cc2c[nH+]c3n2CCC3)ccn1 ZINC000853332502 588733867 /nfs/dbraw/zinc/73/38/67/588733867.db2.gz VUGNWINHHAZQOH-UHFFFAOYSA-N 1 2 245.261 1.809 20 30 BDEDLO Cn1cc(NN=Cc2c[nH+]c3n2CCC3)cn1 ZINC000853339706 588735139 /nfs/dbraw/zinc/73/51/39/588735139.db2.gz YGUHULCPQRHIMI-UHFFFAOYSA-N 1 2 230.275 1.009 20 30 BDEDLO CC[C@H]1COCC1=NNCCCn1cc[nH+]c1 ZINC000853370508 588738620 /nfs/dbraw/zinc/73/86/20/588738620.db2.gz OXFNQXJZLSNRLI-NSHDSACASA-N 1 2 236.319 1.275 20 30 BDEDLO C(=[NH+]n1ccnn1)[C@H]1CCN(c2ccccc2)C1 ZINC000853355165 588737591 /nfs/dbraw/zinc/73/75/91/588737591.db2.gz IXHXDIMKCCJMTJ-GFCCVEGCSA-N 1 2 241.298 1.639 20 30 BDEDLO Cc1[nH+]cc(C=NN2CCCC[C@@H]2C)n1C ZINC000853384960 588740157 /nfs/dbraw/zinc/74/01/57/588740157.db2.gz ORKMMRSWIUFOHN-JTQLQIEISA-N 1 2 220.320 1.937 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2ccncc2F)cn1C ZINC000853401724 588741048 /nfs/dbraw/zinc/74/10/48/588741048.db2.gz AWJWWTRLQGKYHQ-UHFFFAOYSA-N 1 2 247.277 1.521 20 30 BDEDLO CC(=[NH+]Nc1nnc(C)n1C)c1ccc(N)cc1 ZINC000853435288 588742387 /nfs/dbraw/zinc/74/23/87/588742387.db2.gz JSDXEPPNLUVZRU-UHFFFAOYSA-N 1 2 244.302 1.542 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000853524790 588747391 /nfs/dbraw/zinc/74/73/91/588747391.db2.gz QKIWPUQAELXEMZ-JTQLQIEISA-N 1 2 237.328 1.493 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cn2ccsc2=O)C1 ZINC000853524790 588747392 /nfs/dbraw/zinc/74/73/92/588747392.db2.gz QKIWPUQAELXEMZ-JTQLQIEISA-N 1 2 237.328 1.493 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](CN2CCSC2=O)C1 ZINC000853525254 588747463 /nfs/dbraw/zinc/74/74/63/588747463.db2.gz CNGOHACLWNSCQO-SNVBAGLBSA-N 1 2 239.344 1.738 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](CN2CCSC2=O)C1 ZINC000853525254 588747464 /nfs/dbraw/zinc/74/74/64/588747464.db2.gz CNGOHACLWNSCQO-SNVBAGLBSA-N 1 2 239.344 1.738 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)COC(C)C ZINC000853659389 588753029 /nfs/dbraw/zinc/75/30/29/588753029.db2.gz XCUYBGDYOJBKCH-UHFFFAOYSA-N 1 2 206.673 1.662 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000853728507 588759694 /nfs/dbraw/zinc/75/96/94/588759694.db2.gz MBZMQFKCYFAHFD-SECBINFHSA-N 1 2 248.710 1.290 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000854219667 588780050 /nfs/dbraw/zinc/78/00/50/588780050.db2.gz SRFVOLDBHBVEFN-RKDXNWHRSA-N 1 2 238.291 1.286 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000890550232 582472438 /nfs/dbraw/zinc/47/24/38/582472438.db2.gz IPJCZXISYFNYAA-NWDGAFQWSA-N 1 2 245.326 1.623 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000890554219 582474168 /nfs/dbraw/zinc/47/41/68/582474168.db2.gz KZPPHNPMBABUES-NWDGAFQWSA-N 1 2 245.326 1.623 20 30 BDEDLO C=C1CCC(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000890990544 582594294 /nfs/dbraw/zinc/59/42/94/582594294.db2.gz OABORLMWPNTMOX-UHFFFAOYSA-N 1 2 233.315 1.783 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000891267037 582646092 /nfs/dbraw/zinc/64/60/92/582646092.db2.gz ZZWOVXWCRKQXQN-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO C=CC(C)(C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000891266891 582646166 /nfs/dbraw/zinc/64/61/66/582646166.db2.gz JENNUVLDYAINFW-UHFFFAOYSA-N 1 2 221.304 1.595 20 30 BDEDLO CC1(C)OCCC1=NNCCCn1cc[nH+]c1 ZINC000848416460 582773416 /nfs/dbraw/zinc/77/34/16/582773416.db2.gz LXBYNABBZNYFQG-UHFFFAOYSA-N 1 2 236.319 1.418 20 30 BDEDLO Cc1ccc(C=NNCCCn2cc[nH+]c2)cn1 ZINC000848417253 582774397 /nfs/dbraw/zinc/77/43/97/582774397.db2.gz RGVAICJSLPJEDA-UHFFFAOYSA-N 1 2 243.314 1.600 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000848418475 582777334 /nfs/dbraw/zinc/77/73/34/582777334.db2.gz NYDMPKGGJSXRAE-UHFFFAOYSA-N 1 2 246.318 1.021 20 30 BDEDLO C=CCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856278121 588866743 /nfs/dbraw/zinc/86/67/43/588866743.db2.gz XUFKFYFUPWZFIB-SNVBAGLBSA-N 1 2 221.304 1.954 20 30 BDEDLO CC(C)(C#N)CNc1nccn2c[nH+]cc12 ZINC000893119668 583052355 /nfs/dbraw/zinc/05/23/55/583052355.db2.gz BVSHAAAFUSXAFE-UHFFFAOYSA-N 1 2 215.260 1.691 20 30 BDEDLO Cc1nnc(N=NC(C)c2cn(C)c(C)[nH+]2)n1C ZINC000853432556 583054542 /nfs/dbraw/zinc/05/45/42/583054542.db2.gz YTEWQVGJLMGWFD-UHFFFAOYSA-N 1 2 247.306 1.002 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893528104 583157944 /nfs/dbraw/zinc/15/79/44/583157944.db2.gz TVXSVJYBNHNXJX-QWRGUYRKSA-N 1 2 248.330 1.117 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893528104 583157945 /nfs/dbraw/zinc/15/79/45/583157945.db2.gz TVXSVJYBNHNXJX-QWRGUYRKSA-N 1 2 248.330 1.117 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000893543488 583159395 /nfs/dbraw/zinc/15/93/95/583159395.db2.gz DDAZGNGWCGMVMI-JTQLQIEISA-N 1 2 218.304 1.857 20 30 BDEDLO C#CCC[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893674070 583192934 /nfs/dbraw/zinc/19/29/34/583192934.db2.gz WADJBYUYYMDWOV-WDEREUQCSA-N 1 2 234.299 1.321 20 30 BDEDLO C#CCC[C@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893674069 583193502 /nfs/dbraw/zinc/19/35/02/583193502.db2.gz WADJBYUYYMDWOV-QWRGUYRKSA-N 1 2 234.299 1.321 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nccn1C1CC1 ZINC000894060806 583293024 /nfs/dbraw/zinc/29/30/24/583293024.db2.gz YWLRWAADKWQDPM-SNVBAGLBSA-N 1 2 203.289 1.672 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nccn1C1CC1 ZINC000894060806 583293025 /nfs/dbraw/zinc/29/30/25/583293025.db2.gz YWLRWAADKWQDPM-SNVBAGLBSA-N 1 2 203.289 1.672 20 30 BDEDLO C#C[C@@H](C)N(C)Cc1[nH+]ccn1C1CC1 ZINC000894060806 583293026 /nfs/dbraw/zinc/29/30/26/583293026.db2.gz YWLRWAADKWQDPM-SNVBAGLBSA-N 1 2 203.289 1.672 20 30 BDEDLO C#CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000857146096 588890963 /nfs/dbraw/zinc/89/09/63/588890963.db2.gz OFFVRQSSYATGGG-UHFFFAOYSA-N 1 2 219.288 1.169 20 30 BDEDLO C#CCOCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000857281966 588902577 /nfs/dbraw/zinc/90/25/77/588902577.db2.gz YWNHVTUSDUSBCA-NSHDSACASA-N 1 2 249.314 1.120 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878705447 583395072 /nfs/dbraw/zinc/39/50/72/583395072.db2.gz XODYMMBJVNNORV-RFQIPJPRSA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878705447 583395074 /nfs/dbraw/zinc/39/50/74/583395074.db2.gz XODYMMBJVNNORV-RFQIPJPRSA-N 1 2 235.327 1.278 20 30 BDEDLO C#CC[C@H]1CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894349590 583432309 /nfs/dbraw/zinc/43/23/09/583432309.db2.gz MSUPWTLPRFNPII-LBPRGKRZSA-N 1 2 244.342 1.782 20 30 BDEDLO C#CC[C@H]1CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894349590 583432310 /nfs/dbraw/zinc/43/23/10/583432310.db2.gz MSUPWTLPRFNPII-LBPRGKRZSA-N 1 2 244.342 1.782 20 30 BDEDLO Cc1noc2ncc(C[NH2+]CCC#N)cc12 ZINC000894579838 583488433 /nfs/dbraw/zinc/48/84/33/583488433.db2.gz PMKPPBXXCHNSAQ-UHFFFAOYSA-N 1 2 216.244 1.535 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000894737505 583514583 /nfs/dbraw/zinc/51/45/83/583514583.db2.gz AIFMGCXUIVHCLN-SSDOTTSWSA-N 1 2 224.285 1.041 20 30 BDEDLO C[C@@H](CCC#N)CNc1cc(CO)cc[nH+]1 ZINC000895038372 583570639 /nfs/dbraw/zinc/57/06/39/583570639.db2.gz NHQWKDWYVQDDQX-JTQLQIEISA-N 1 2 219.288 1.926 20 30 BDEDLO C=CC(C)(C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000895078888 583582194 /nfs/dbraw/zinc/58/21/94/583582194.db2.gz ZLBISCCGBISCDD-VIFPVBQESA-N 1 2 234.303 1.592 20 30 BDEDLO CC(C)c1c[nH]c(CN2CC[C@](O)(CC#N)C2)[nH+]1 ZINC000895079959 583582785 /nfs/dbraw/zinc/58/27/85/583582785.db2.gz YIMXHKQNYNWQLK-CYBMUJFWSA-N 1 2 248.330 1.384 20 30 BDEDLO Cc1n[nH]c(C[NH+]2CC(CC#N)C2)c1C ZINC000895253741 583633781 /nfs/dbraw/zinc/63/37/81/583633781.db2.gz IOSZKZKPLBCLBZ-UHFFFAOYSA-N 1 2 204.277 1.372 20 30 BDEDLO CC1=NO[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000895304378 583645250 /nfs/dbraw/zinc/64/52/50/583645250.db2.gz IKHSUPJQHSSYBU-LLVKDONJSA-N 1 2 247.273 1.952 20 30 BDEDLO N#CCC1CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000895344509 583655065 /nfs/dbraw/zinc/65/50/65/583655065.db2.gz OQFZLKYASKPRJI-UHFFFAOYSA-N 1 2 216.288 1.563 20 30 BDEDLO Cn1nc2c(c1C[N@@H+]1CC[C@](C)(C#N)C1)CCC2 ZINC000895450176 583676153 /nfs/dbraw/zinc/67/61/53/583676153.db2.gz BQTJGUAJHIMOOC-CQSZACIVSA-N 1 2 244.342 1.644 20 30 BDEDLO Cn1nc2c(c1C[N@H+]1CC[C@](C)(C#N)C1)CCC2 ZINC000895450176 583676154 /nfs/dbraw/zinc/67/61/54/583676154.db2.gz BQTJGUAJHIMOOC-CQSZACIVSA-N 1 2 244.342 1.644 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000895597266 583695252 /nfs/dbraw/zinc/69/52/52/583695252.db2.gz HGOWSXSAHNUXHG-MCIGGMRASA-N 1 2 241.331 1.651 20 30 BDEDLO CC1CC(C#N)(C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857983617 588928732 /nfs/dbraw/zinc/92/87/32/588928732.db2.gz TWQBNTKPEUNCHJ-QUNCOHTASA-N 1 2 244.298 1.384 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)C#CC(C)C)CCN2 ZINC000858000463 588930615 /nfs/dbraw/zinc/93/06/15/588930615.db2.gz HDNSRTUEISZHBG-UHFFFAOYSA-N 1 2 243.310 1.808 20 30 BDEDLO C=C1CCC(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000896498599 583807019 /nfs/dbraw/zinc/80/70/19/583807019.db2.gz ZKGFMSUCFTUUFR-UHFFFAOYSA-N 1 2 219.288 1.772 20 30 BDEDLO C=C1CCC(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000896498599 583807021 /nfs/dbraw/zinc/80/70/21/583807021.db2.gz ZKGFMSUCFTUUFR-UHFFFAOYSA-N 1 2 219.288 1.772 20 30 BDEDLO CCN(CCC(=O)NC)c1cc(C)[nH+]cc1C#N ZINC000896979786 583866094 /nfs/dbraw/zinc/86/60/94/583866094.db2.gz MJSRUBKHJSOMAQ-UHFFFAOYSA-N 1 2 246.314 1.224 20 30 BDEDLO C#CCN(CC#N)Cc1[nH+]ccn1C1CC1 ZINC000897164116 583887936 /nfs/dbraw/zinc/88/79/36/583887936.db2.gz IOIUUIRYMARTMM-UHFFFAOYSA-N 1 2 214.272 1.177 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc(CCOC)s1 ZINC000897169016 583888416 /nfs/dbraw/zinc/88/84/16/583888416.db2.gz JXHNMJFILDZMQS-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc(CCOC)s1 ZINC000897169016 583888419 /nfs/dbraw/zinc/88/84/19/583888419.db2.gz JXHNMJFILDZMQS-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO C#CC[N@H+](Cc1cnn(C)c1Cl)C(C)C ZINC000897170981 583888845 /nfs/dbraw/zinc/88/88/45/583888845.db2.gz NJNXAAUCPCLVIN-UHFFFAOYSA-N 1 2 225.723 1.917 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(C)c1Cl)C(C)C ZINC000897170981 583888847 /nfs/dbraw/zinc/88/88/47/583888847.db2.gz NJNXAAUCPCLVIN-UHFFFAOYSA-N 1 2 225.723 1.917 20 30 BDEDLO C#C[C@@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000897360891 583938718 /nfs/dbraw/zinc/93/87/18/583938718.db2.gz SOYMBOMXMPTDMS-GFCCVEGCSA-N 1 2 216.284 1.566 20 30 BDEDLO C[C@]1(C#N)C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000897586236 584022038 /nfs/dbraw/zinc/02/20/38/584022038.db2.gz JGURZJHXUNMQRA-MNOVXSKESA-N 1 2 226.345 1.354 20 30 BDEDLO C[C@]1(C#N)C[N@@H+](C[C@H]2CCSC2)CCO1 ZINC000897586236 584022040 /nfs/dbraw/zinc/02/20/40/584022040.db2.gz JGURZJHXUNMQRA-MNOVXSKESA-N 1 2 226.345 1.354 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)N2CC(C)(C#N)C2)c[nH+]1 ZINC000897630750 584033130 /nfs/dbraw/zinc/03/31/30/584033130.db2.gz HNQYGFWLYOXOQO-UHFFFAOYSA-N 1 2 246.314 1.299 20 30 BDEDLO C#CC1(O)C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000898143415 584085607 /nfs/dbraw/zinc/08/56/07/584085607.db2.gz DOWWNSOZEXFENY-UHFFFAOYSA-N 1 2 231.295 1.189 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000899899966 584248071 /nfs/dbraw/zinc/24/80/71/584248071.db2.gz FABOQMVVSXXHCM-CQSZACIVSA-N 1 2 247.338 1.915 20 30 BDEDLO C=C1C[NH+](C[C@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000899900369 584249441 /nfs/dbraw/zinc/24/94/41/584249441.db2.gz OZIXBYXJUOSUEP-ZIAGYGMSSA-N 1 2 233.311 1.343 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900509938 584320350 /nfs/dbraw/zinc/32/03/50/584320350.db2.gz SWTWHXKHSRZMCC-VIFPVBQESA-N 1 2 220.276 1.007 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900509938 584320351 /nfs/dbraw/zinc/32/03/51/584320351.db2.gz SWTWHXKHSRZMCC-VIFPVBQESA-N 1 2 220.276 1.007 20 30 BDEDLO N#CC1(NC(=O)CNc2cccc[nH+]2)CCCC1 ZINC000900584657 584331586 /nfs/dbraw/zinc/33/15/86/584331586.db2.gz NVIMMXUOAKVRFO-UHFFFAOYSA-N 1 2 244.298 1.446 20 30 BDEDLO C#CC(C)(C)NC(=O)c1ccc(C)[nH+]c1NC ZINC000900702657 584342893 /nfs/dbraw/zinc/34/28/93/584342893.db2.gz CXZTXJCPMNROET-UHFFFAOYSA-N 1 2 231.299 1.573 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(C)[nH+]cn1 ZINC000858857514 588978038 /nfs/dbraw/zinc/97/80/38/588978038.db2.gz OTSMUNBWKKWHQI-NSHDSACASA-N 1 2 219.288 1.625 20 30 BDEDLO C#CC[C@@H](COC)Nc1nc[nH+]c(C)c1OC ZINC000858862202 588980068 /nfs/dbraw/zinc/98/00/68/588980068.db2.gz YLMCBEMJHGIMTD-JTQLQIEISA-N 1 2 235.287 1.244 20 30 BDEDLO COc1ccc(C=NNCCCn2cc[nH+]c2)o1 ZINC000901262180 584417337 /nfs/dbraw/zinc/41/73/37/584417337.db2.gz VPCCRDRGUISZNQ-UHFFFAOYSA-N 1 2 248.286 1.499 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CC12CC2 ZINC000901328513 584424104 /nfs/dbraw/zinc/42/41/04/584424104.db2.gz GZYUHJWFKYJZEX-VIFPVBQESA-N 1 2 216.288 1.791 20 30 BDEDLO Cc1[nH]c[nH+]c1C=Nn1nnc2c1CCCC2 ZINC000901330908 584424727 /nfs/dbraw/zinc/42/47/27/584424727.db2.gz DKNDOBAVSYOTAO-UHFFFAOYSA-N 1 2 230.275 1.071 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2ccn(C)n2)[nH+]c1C ZINC000901544409 584464125 /nfs/dbraw/zinc/46/41/25/584464125.db2.gz VBJXCKOLUXHXNE-SNAWJCMRSA-N 1 2 230.271 1.656 20 30 BDEDLO COc1cn(C[N@H+](C)[C@@H](C)CC#N)c(C)cc1=O ZINC000902115177 584527284 /nfs/dbraw/zinc/52/72/84/584527284.db2.gz XREXJSSGJASGTA-JTQLQIEISA-N 1 2 249.314 1.357 20 30 BDEDLO COc1cn(C[N@@H+](C)[C@@H](C)CC#N)c(C)cc1=O ZINC000902115177 584527285 /nfs/dbraw/zinc/52/72/85/584527285.db2.gz XREXJSSGJASGTA-JTQLQIEISA-N 1 2 249.314 1.357 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(=O)[nH]n1 ZINC000903032218 584718741 /nfs/dbraw/zinc/71/87/41/584718741.db2.gz GJWWDTXTOGGGAL-SECBINFHSA-N 1 2 232.287 1.527 20 30 BDEDLO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)nn1C ZINC000903101240 584727139 /nfs/dbraw/zinc/72/71/39/584727139.db2.gz DHDWBTJJTFUHGS-SNVBAGLBSA-N 1 2 220.320 1.929 20 30 BDEDLO Cn1ncc2c1CC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000731156589 584922736 /nfs/dbraw/zinc/92/27/36/584922736.db2.gz HOZTVGSLQPARFU-VURMDHGXSA-N 1 2 228.255 1.356 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ccccn1 ZINC000755519771 584956840 /nfs/dbraw/zinc/95/68/40/584956840.db2.gz OVOOJNBBPQIPAA-UHFFFAOYSA-N 1 2 201.233 1.261 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890108298 585023739 /nfs/dbraw/zinc/02/37/39/585023739.db2.gz WWAURDWUMPVCTL-UHFFFAOYSA-N 1 2 244.254 1.123 20 30 BDEDLO C=CCNC(=S)N[C@H](C)c1[nH+]ccn1CC ZINC000840810526 585050073 /nfs/dbraw/zinc/05/00/73/585050073.db2.gz PZNKUVOWMZBOPD-SECBINFHSA-N 1 2 238.360 1.614 20 30 BDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000739903522 585085037 /nfs/dbraw/zinc/08/50/37/585085037.db2.gz OARNSDAVTHOHNC-CYBMUJFWSA-N 1 2 244.294 1.868 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)OC ZINC000839167309 585095220 /nfs/dbraw/zinc/09/52/20/585095220.db2.gz FBIGMQHWYOTFTF-TZMCWYRMSA-N 1 2 245.322 1.945 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(=O)OC ZINC000839167313 585095291 /nfs/dbraw/zinc/09/52/91/585095291.db2.gz FBSQMDKAJSTDDC-XWLWVQCSSA-N 1 2 209.289 1.185 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](CCCC)COC)C(=O)OC ZINC000839166976 585095301 /nfs/dbraw/zinc/09/53/01/585095301.db2.gz CARDPTPQGXCTDI-RYUDHWBXSA-N 1 2 241.331 1.346 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000839168888 585095571 /nfs/dbraw/zinc/09/55/71/585095571.db2.gz OCRMNHYTFLRXHR-UWVGGRQHSA-N 1 2 227.329 1.037 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)OC ZINC000839168347 585095880 /nfs/dbraw/zinc/09/58/80/585095880.db2.gz JTLIMFOWKUUSTQ-MNOVXSKESA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000839170140 585096003 /nfs/dbraw/zinc/09/60/03/585096003.db2.gz YASACHJTXXTVKU-WOPDTQHZSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H](C)CC(C)C)C(=O)OC ZINC000839170345 585096103 /nfs/dbraw/zinc/09/61/03/585096103.db2.gz YXCZGSASQGLGAL-NEPJUHHUSA-N 1 2 225.332 1.823 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000839186958 585096953 /nfs/dbraw/zinc/09/69/53/585096953.db2.gz WCPAQKUUCSUTRN-CQSZACIVSA-N 1 2 244.338 1.587 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839186958 585096954 /nfs/dbraw/zinc/09/69/54/585096954.db2.gz WCPAQKUUCSUTRN-CQSZACIVSA-N 1 2 244.338 1.587 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccc(C)cc1 ZINC000839199802 585099381 /nfs/dbraw/zinc/09/93/81/585099381.db2.gz WLKQLAXTNWYQLO-OAHLLOKOSA-N 1 2 229.323 1.872 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccc(C)cc1 ZINC000839199802 585099382 /nfs/dbraw/zinc/09/93/82/585099382.db2.gz WLKQLAXTNWYQLO-OAHLLOKOSA-N 1 2 229.323 1.872 20 30 BDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000746668993 585172067 /nfs/dbraw/zinc/17/20/67/585172067.db2.gz CDSWMAREZPNPOB-NSHDSACASA-N 1 2 228.295 1.313 20 30 BDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000746668993 585172068 /nfs/dbraw/zinc/17/20/68/585172068.db2.gz CDSWMAREZPNPOB-NSHDSACASA-N 1 2 228.295 1.313 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000747393085 585178388 /nfs/dbraw/zinc/17/83/88/585178388.db2.gz CKVCTBRADKXUFW-ZDUSSCGKSA-N 1 2 246.354 1.344 20 30 BDEDLO Clc1nccnc1N=NCc1c[nH+]c[nH]1 ZINC000755717837 585304681 /nfs/dbraw/zinc/30/46/81/585304681.db2.gz RXDAEOAFHBKUEQ-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Clc1nccnc1N=NCc1c[nH]c[nH+]1 ZINC000755717837 585304682 /nfs/dbraw/zinc/30/46/82/585304682.db2.gz RXDAEOAFHBKUEQ-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Cc1[nH]c[nH+]c1CN=Nc1ccncc1Cl ZINC000755765115 585306141 /nfs/dbraw/zinc/30/61/41/585306141.db2.gz DJQZXIGGUCYZBF-UHFFFAOYSA-N 1 2 235.678 1.634 20 30 BDEDLO Cc1cccc(CNN=Cc2c[nH+]cn2C)c1 ZINC000755773700 585306945 /nfs/dbraw/zinc/30/69/45/585306945.db2.gz KCUUEIPMBSDFMP-UHFFFAOYSA-N 1 2 228.299 1.852 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NOCc1cccnc1 ZINC000755800579 585307405 /nfs/dbraw/zinc/30/74/05/585307405.db2.gz CBDTWOCBXPDPPL-UHFFFAOYSA-N 1 2 216.244 1.664 20 30 BDEDLO C#CC[N@@H+](Cc1nonc1C)C1CCCC1 ZINC000756911476 585325044 /nfs/dbraw/zinc/32/50/44/585325044.db2.gz QLJGJSPXEDIMKT-UHFFFAOYSA-N 1 2 219.288 1.756 20 30 BDEDLO C#CC[N@H+](Cc1nonc1C)C1CCCC1 ZINC000756911476 585325045 /nfs/dbraw/zinc/32/50/45/585325045.db2.gz QLJGJSPXEDIMKT-UHFFFAOYSA-N 1 2 219.288 1.756 20 30 BDEDLO C=C(C)C[N@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000758249521 585352920 /nfs/dbraw/zinc/35/29/20/585352920.db2.gz OLSGXZDVOBQOIX-UHFFFAOYSA-N 1 2 231.299 1.494 20 30 BDEDLO C=C(C)C[N@@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000758249521 585352921 /nfs/dbraw/zinc/35/29/21/585352921.db2.gz OLSGXZDVOBQOIX-UHFFFAOYSA-N 1 2 231.299 1.494 20 30 BDEDLO CC[C@@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000758952372 585362981 /nfs/dbraw/zinc/36/29/81/585362981.db2.gz FFZJMOUOHPSANX-VIFPVBQESA-N 1 2 228.255 1.366 20 30 BDEDLO C[C@@H]1C[C@@H]1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854855 585420631 /nfs/dbraw/zinc/42/06/31/585420631.db2.gz IDSYTUTVEFFKIO-NXEZZACHSA-N 1 2 242.286 1.716 20 30 BDEDLO Cn1nccc1CC/[NH+]=C/c1cccc(O)c1O ZINC000762413256 585431837 /nfs/dbraw/zinc/43/18/37/585431837.db2.gz MPGSFQDKLIAUON-NTEUORMPSA-N 1 2 245.282 1.493 20 30 BDEDLO N#CC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CCCC1 ZINC000763688578 585452415 /nfs/dbraw/zinc/45/24/15/585452415.db2.gz SUNSFCOAKGOPDI-GFCCVEGCSA-N 1 2 248.326 1.850 20 30 BDEDLO N#CC[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CCCC1 ZINC000763688578 585452416 /nfs/dbraw/zinc/45/24/16/585452416.db2.gz SUNSFCOAKGOPDI-GFCCVEGCSA-N 1 2 248.326 1.850 20 30 BDEDLO CC#CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000764150532 585461014 /nfs/dbraw/zinc/46/10/14/585461014.db2.gz LSVHMHSYSYPYAX-UHFFFAOYSA-N 1 2 226.239 1.229 20 30 BDEDLO C#CCCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000765474292 585487554 /nfs/dbraw/zinc/48/75/54/585487554.db2.gz SNCXWQWKODKXHW-UHFFFAOYSA-N 1 2 242.278 1.752 20 30 BDEDLO CC#CCO[NH+]=C(N)Cc1cccs1 ZINC000766070136 585497336 /nfs/dbraw/zinc/49/73/36/585497336.db2.gz SHAAINMPVJPJDB-UHFFFAOYSA-N 1 2 208.286 1.812 20 30 BDEDLO C=CC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766635324 585504476 /nfs/dbraw/zinc/50/44/76/585504476.db2.gz WTDKLUAGCHCBBJ-UHFFFAOYSA-N 1 2 243.310 1.284 20 30 BDEDLO C=CC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766635324 585504477 /nfs/dbraw/zinc/50/44/77/585504477.db2.gz WTDKLUAGCHCBBJ-UHFFFAOYSA-N 1 2 243.310 1.284 20 30 BDEDLO C[C@@H](C#N)C[N@H+](CCC(=O)C1CC1)C1CC1 ZINC000767471595 585520747 /nfs/dbraw/zinc/52/07/47/585520747.db2.gz YZNRKWYDDOXSIT-JTQLQIEISA-N 1 2 220.316 1.980 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](CCC(=O)C1CC1)C1CC1 ZINC000767471595 585520748 /nfs/dbraw/zinc/52/07/48/585520748.db2.gz YZNRKWYDDOXSIT-JTQLQIEISA-N 1 2 220.316 1.980 20 30 BDEDLO N#CC1(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770425783 585574113 /nfs/dbraw/zinc/57/41/13/585574113.db2.gz LFWDNUDDTZITCC-UHFFFAOYSA-N 1 2 226.239 1.120 20 30 BDEDLO C(=NNC1CCOCC1)c1cccc2[nH+]ccn21 ZINC000771100931 585590273 /nfs/dbraw/zinc/59/02/73/585590273.db2.gz XBYOBHIZPVYCAR-UHFFFAOYSA-N 1 2 244.298 1.437 20 30 BDEDLO COCCON=Cc1cccc2[nH+]ccn21 ZINC000771095772 585590398 /nfs/dbraw/zinc/59/03/98/585590398.db2.gz BOODMCDKSGZIEF-UHFFFAOYSA-N 1 2 219.244 1.331 20 30 BDEDLO FC(F)CNN=Cc1cccc2[nH+]ccn21 ZINC000771101315 585590644 /nfs/dbraw/zinc/59/06/44/585590644.db2.gz SAKPCULEDIPNOQ-UHFFFAOYSA-N 1 2 224.214 1.523 20 30 BDEDLO C#C[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000772258906 585611149 /nfs/dbraw/zinc/61/11/49/585611149.db2.gz TVWLVONFBWYLEY-NEPJUHHUSA-N 1 2 243.310 1.947 20 30 BDEDLO CC(C)C1(O)C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000773895383 585646161 /nfs/dbraw/zinc/64/61/61/585646161.db2.gz XPGXNGCREFVOGD-UHFFFAOYSA-N 1 2 247.313 1.880 20 30 BDEDLO C#C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000775381302 585676881 /nfs/dbraw/zinc/67/68/81/585676881.db2.gz FVPGDIBIXMFGDP-SECBINFHSA-N 1 2 213.240 1.086 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nccn1C)[C@@H]1CCCO1 ZINC000775571376 585680158 /nfs/dbraw/zinc/68/01/58/585680158.db2.gz GKSKMIBLANUYJS-WOPDTQHZSA-N 1 2 233.315 1.252 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(C)o1)[C@@H]1CCCO1 ZINC000775801974 585685474 /nfs/dbraw/zinc/68/54/74/585685474.db2.gz ZYHFZEFFFQQSIV-LSJOCFKGSA-N 1 2 235.287 1.209 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1ncncc1Cl ZINC000780282142 585776493 /nfs/dbraw/zinc/77/64/93/585776493.db2.gz DLWPXXJKCHRHIM-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000781189102 585792663 /nfs/dbraw/zinc/79/26/63/585792663.db2.gz WWCCVGJNXGSNLY-GHMZBOCLSA-N 1 2 224.304 1.706 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000781189102 585792664 /nfs/dbraw/zinc/79/26/64/585792664.db2.gz WWCCVGJNXGSNLY-GHMZBOCLSA-N 1 2 224.304 1.706 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000784049394 585848059 /nfs/dbraw/zinc/84/80/59/585848059.db2.gz DVNBGDUAFMDJNX-SNVBAGLBSA-N 1 2 247.298 1.786 20 30 BDEDLO C#CCOCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000784238274 585853203 /nfs/dbraw/zinc/85/32/03/585853203.db2.gz ZYCXJBUNZKSJLN-UHFFFAOYSA-N 1 2 231.299 1.724 20 30 BDEDLO CC#CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000785860581 585882148 /nfs/dbraw/zinc/88/21/48/585882148.db2.gz NOOHBLBIRNIXJR-UHFFFAOYSA-N 1 2 246.314 1.601 20 30 BDEDLO C=CCC[N@@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000786101151 585887351 /nfs/dbraw/zinc/88/73/51/585887351.db2.gz JWYQKKXEDMMMNP-UHFFFAOYSA-N 1 2 247.342 1.588 20 30 BDEDLO C=CCC[N@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000786101151 585887352 /nfs/dbraw/zinc/88/73/52/585887352.db2.gz JWYQKKXEDMMMNP-UHFFFAOYSA-N 1 2 247.342 1.588 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](CCCCCCCO)C1 ZINC000786435056 585891394 /nfs/dbraw/zinc/89/13/94/585891394.db2.gz BXKYAJQGWKZIDU-GFCCVEGCSA-N 1 2 228.311 1.867 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](CCCCCCCO)C1 ZINC000786435056 585891395 /nfs/dbraw/zinc/89/13/95/585891395.db2.gz BXKYAJQGWKZIDU-GFCCVEGCSA-N 1 2 228.311 1.867 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCCc1ccccn1 ZINC000789104684 585935331 /nfs/dbraw/zinc/93/53/31/585935331.db2.gz HVPADTWCEAZTLR-UHFFFAOYSA-N 1 2 229.287 1.279 20 30 BDEDLO CC(N=Nc1ncc(F)cn1)c1[nH]cc[nH+]1 ZINC000790169845 585959330 /nfs/dbraw/zinc/95/93/30/585959330.db2.gz CAQAAXMHPJUXFT-UHFFFAOYSA-N 1 2 220.211 1.175 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccnc1 ZINC000790302053 585963188 /nfs/dbraw/zinc/96/31/88/585963188.db2.gz MABPAUAYRMMYOC-UHFFFAOYSA-N 1 2 201.233 1.261 20 30 BDEDLO N#CC1(C(=O)OCc2cc[nH+]c(N)c2)CCC1 ZINC000791915974 585991284 /nfs/dbraw/zinc/99/12/84/585991284.db2.gz IVVYUEZMMCQWFN-UHFFFAOYSA-N 1 2 231.255 1.401 20 30 BDEDLO CC[N@H+](CC#Cc1ccccc1)CC(=O)NC ZINC000792209915 585998231 /nfs/dbraw/zinc/99/82/31/585998231.db2.gz YPIYNRBSTILDIM-UHFFFAOYSA-N 1 2 230.311 1.106 20 30 BDEDLO CC[N@@H+](CC#Cc1ccccc1)CC(=O)NC ZINC000792209915 585998232 /nfs/dbraw/zinc/99/82/32/585998232.db2.gz YPIYNRBSTILDIM-UHFFFAOYSA-N 1 2 230.311 1.106 20 30 BDEDLO CC[C@@H](C)CO[NH+]=Cc1c(N)ncnc1OC ZINC000793158689 586012134 /nfs/dbraw/zinc/01/21/34/586012134.db2.gz JRNYFDHBEPXRQN-MRVPVSSYSA-N 1 2 238.291 1.464 20 30 BDEDLO CC(N=Nc1ncncc1F)c1[nH]cc[nH+]1 ZINC000793215321 586014315 /nfs/dbraw/zinc/01/43/15/586014315.db2.gz XYGHULHPFHWIAM-UHFFFAOYSA-N 1 2 220.211 1.175 20 30 BDEDLO NC(=[NH+]OC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000794517600 586041305 /nfs/dbraw/zinc/04/13/05/586041305.db2.gz FELYEXNQXAYSLI-NSHDSACASA-N 1 2 238.262 1.642 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCCC(F)(F)F ZINC000794552604 586043731 /nfs/dbraw/zinc/04/37/31/586043731.db2.gz PGGBFSBUCVAGHM-UHFFFAOYSA-N 1 2 220.198 1.594 20 30 BDEDLO CCC[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794622876 586045938 /nfs/dbraw/zinc/04/59/38/586045938.db2.gz HNDFYVCGDOEDLQ-UHFFFAOYSA-N 1 2 239.348 1.316 20 30 BDEDLO CCC[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794622876 586045939 /nfs/dbraw/zinc/04/59/39/586045939.db2.gz HNDFYVCGDOEDLQ-UHFFFAOYSA-N 1 2 239.348 1.316 20 30 BDEDLO C=CCNN=Cc1cccc2[nH+]ccn21 ZINC000794999008 586063522 /nfs/dbraw/zinc/06/35/22/586063522.db2.gz RSXMIJYYEWTPNN-UHFFFAOYSA-N 1 2 200.245 1.444 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2cccc(F)n2)c1 ZINC000795006845 586064762 /nfs/dbraw/zinc/06/47/62/586064762.db2.gz MSWUMZHFHUAMDC-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO CC(N=Nc1cccc(F)n1)c1[nH]cc[nH+]1 ZINC000795007697 586064857 /nfs/dbraw/zinc/06/48/57/586064857.db2.gz MNUVPNXAISEDDQ-UHFFFAOYSA-N 1 2 219.223 1.780 20 30 BDEDLO CC(C)CN(CCC#N)Cc1c[nH+]c[nH]1 ZINC000796446834 586103208 /nfs/dbraw/zinc/10/32/08/586103208.db2.gz WSANOBZQBQKDFF-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO CC#CC[N@H+](CCO)Cc1cccnc1Cl ZINC000796556403 586106642 /nfs/dbraw/zinc/10/66/42/586106642.db2.gz IZVQBAIPOLHRON-UHFFFAOYSA-N 1 2 238.718 1.553 20 30 BDEDLO CC#CC[N@@H+](CCO)Cc1cccnc1Cl ZINC000796556403 586106643 /nfs/dbraw/zinc/10/66/43/586106643.db2.gz IZVQBAIPOLHRON-UHFFFAOYSA-N 1 2 238.718 1.553 20 30 BDEDLO CCC(CC)C[NH2+]NC1=CC(=O)N2CCC[C@@H]12 ZINC000799485851 586179691 /nfs/dbraw/zinc/17/96/91/586179691.db2.gz WXKPUVYGQYRVQW-LBPRGKRZSA-N 1 2 237.347 1.763 20 30 BDEDLO CC(=NNC1CCCC1)c1cn(C)c(C)[nH+]1 ZINC000800811594 586230636 /nfs/dbraw/zinc/23/06/36/586230636.db2.gz BDOKPCQBNVXORH-UHFFFAOYSA-N 1 2 220.320 1.985 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2cc(C)ncn2)cn1C ZINC000800813056 586231369 /nfs/dbraw/zinc/23/13/69/586231369.db2.gz POIPPJIAUAFVKI-UHFFFAOYSA-N 1 2 244.302 1.663 20 30 BDEDLO CC(=NN[C@H](C)CC#N)c1cn(C)c(C)[nH+]1 ZINC000800814522 586231644 /nfs/dbraw/zinc/23/16/44/586231644.db2.gz QSUSJVKKPWUHHA-MRVPVSSYSA-N 1 2 219.292 1.344 20 30 BDEDLO C#CCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000801631228 586267588 /nfs/dbraw/zinc/26/75/88/586267588.db2.gz OANYFVRWKIEKMK-UHFFFAOYSA-N 1 2 228.255 1.431 20 30 BDEDLO Cc1cc(C[N@@H+](C)CCO[C@@H](C)C#N)no1 ZINC000801915946 586276930 /nfs/dbraw/zinc/27/69/30/586276930.db2.gz YKOCWALVIQVZOY-JTQLQIEISA-N 1 2 223.276 1.344 20 30 BDEDLO Cc1cc(C[N@H+](C)CCO[C@@H](C)C#N)no1 ZINC000801915946 586276932 /nfs/dbraw/zinc/27/69/32/586276932.db2.gz YKOCWALVIQVZOY-JTQLQIEISA-N 1 2 223.276 1.344 20 30 BDEDLO C=CCCOCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802238231 586297667 /nfs/dbraw/zinc/29/76/67/586297667.db2.gz LSNHSZQMQYXXMB-NSHDSACASA-N 1 2 245.294 1.166 20 30 BDEDLO C=CCCOCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802238231 586297668 /nfs/dbraw/zinc/29/76/68/586297668.db2.gz LSNHSZQMQYXXMB-NSHDSACASA-N 1 2 245.294 1.166 20 30 BDEDLO CC[C@](C)(C#N)C(=O)OCCCn1cc[nH+]c1 ZINC000803787063 586375362 /nfs/dbraw/zinc/37/53/62/586375362.db2.gz SZBQUMCRZCGOHQ-GFCCVEGCSA-N 1 2 235.287 1.756 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337386 586392011 /nfs/dbraw/zinc/39/20/11/586392011.db2.gz ZHJGPSRFADUONP-NSHDSACASA-N 1 2 245.326 1.364 20 30 BDEDLO CC(=NN=Cc1ccc(N)[nH+]c1)c1cnccn1 ZINC000807974332 586453963 /nfs/dbraw/zinc/45/39/63/586453963.db2.gz CHSSCCYHZHZLHE-UHFFFAOYSA-N 1 2 240.270 1.297 20 30 BDEDLO COc1cccc(N[NH+]=Cc2ccc(N)nc2)n1 ZINC000807981620 586454867 /nfs/dbraw/zinc/45/48/67/586454867.db2.gz PXBYDPHOFJPUBT-UHFFFAOYSA-N 1 2 243.270 1.513 20 30 BDEDLO Cn1cnc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000808387929 586470519 /nfs/dbraw/zinc/47/05/19/586470519.db2.gz YMUKTWJJHSMDDI-UHFFFAOYSA-N 1 2 244.273 1.721 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2cccc(F)n2)n1 ZINC000810150719 586535553 /nfs/dbraw/zinc/53/55/53/586535553.db2.gz JMPNTCJBLZFLHC-UHFFFAOYSA-N 1 2 248.286 1.839 20 30 BDEDLO C#C[C@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810231101 586537163 /nfs/dbraw/zinc/53/71/63/586537163.db2.gz SNWAXQGKOBGKCT-VIFPVBQESA-N 1 2 228.255 1.478 20 30 BDEDLO Cn1cc(C=[NH+]Nc2ccccc2)c(=O)[nH]1 ZINC000814212329 586617760 /nfs/dbraw/zinc/61/77/60/586617760.db2.gz NSMZSJFSGZPCCE-UHFFFAOYSA-N 1 2 216.244 1.572 20 30 BDEDLO Cn1cc(C=[NH+]Nc2cccc(F)c2)c(=O)[nH]1 ZINC000814218030 586618108 /nfs/dbraw/zinc/61/81/08/586618108.db2.gz CHNBHOASHCDWFZ-UHFFFAOYSA-N 1 2 234.234 1.711 20 30 BDEDLO C#CC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859794682 589061800 /nfs/dbraw/zinc/06/18/00/589061800.db2.gz XJXZWAYJEOZOQP-UHFFFAOYSA-N 1 2 213.284 1.345 20 30 BDEDLO C#CC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859794682 589061801 /nfs/dbraw/zinc/06/18/01/589061801.db2.gz XJXZWAYJEOZOQP-UHFFFAOYSA-N 1 2 213.284 1.345 20 30 BDEDLO C#CC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817298841 586794096 /nfs/dbraw/zinc/79/40/96/586794096.db2.gz QDQZRVMTFIZLSD-CYBMUJFWSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817298841 586794100 /nfs/dbraw/zinc/79/41/00/586794100.db2.gz QDQZRVMTFIZLSD-CYBMUJFWSA-N 1 2 234.343 1.390 20 30 BDEDLO C[C@H](CO)NN=C1CCc2ccc[nH+]c2CC1 ZINC000817326560 586794727 /nfs/dbraw/zinc/79/47/27/586794727.db2.gz YILKYRRRCNRBHR-SNVBAGLBSA-N 1 2 233.315 1.287 20 30 BDEDLO NC(=O)CC1(C/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000817706357 586818903 /nfs/dbraw/zinc/81/89/03/586818903.db2.gz BUZJDPRKHXHYPH-VIZOYTHASA-N 1 2 248.282 1.172 20 30 BDEDLO CCn1nc(C)c(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000818221991 586879521 /nfs/dbraw/zinc/87/95/21/586879521.db2.gz TZZWCOMWALWZIT-UHFFFAOYSA-N 1 2 245.286 1.361 20 30 BDEDLO C#CCOCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000859961371 589073629 /nfs/dbraw/zinc/07/36/29/589073629.db2.gz HCQJMCYBQVGXGW-UHFFFAOYSA-N 1 2 241.331 1.346 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNC[C@@H](C)C#N ZINC000819808707 586996525 /nfs/dbraw/zinc/99/65/25/586996525.db2.gz GTPUAGKWQMBVNE-JTQLQIEISA-N 1 2 219.292 1.547 20 30 BDEDLO C#CCCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000820346847 587044654 /nfs/dbraw/zinc/04/46/54/587044654.db2.gz OHNHLOYFRSCENK-UHFFFAOYSA-N 1 2 241.294 1.786 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821003854 587087461 /nfs/dbraw/zinc/08/74/61/587087461.db2.gz JAQLQSRJSUOURX-SBDDDAINSA-N 1 2 231.299 1.351 20 30 BDEDLO C#CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822370865 587164671 /nfs/dbraw/zinc/16/46/71/587164671.db2.gz QNZWIPGMOIRFBY-LBPRGKRZSA-N 1 2 233.315 1.562 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)NCC2(C#N)CCC2)c1 ZINC000822962871 587195829 /nfs/dbraw/zinc/19/58/29/587195829.db2.gz MLGDMTMODCGDSU-ONEGZZNKSA-N 1 2 244.298 1.243 20 30 BDEDLO CCn1nnc(C)c1C[N@H+](CCC#N)CC(C)C ZINC000823382188 587219063 /nfs/dbraw/zinc/21/90/63/587219063.db2.gz AAQGHAMKNUKJQJ-UHFFFAOYSA-N 1 2 249.362 1.978 20 30 BDEDLO CCn1nnc(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000823382188 587219064 /nfs/dbraw/zinc/21/90/64/587219064.db2.gz AAQGHAMKNUKJQJ-UHFFFAOYSA-N 1 2 249.362 1.978 20 30 BDEDLO C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000823414178 587220486 /nfs/dbraw/zinc/22/04/86/587220486.db2.gz BTZLFDRXOHNUIS-GHMZBOCLSA-N 1 2 231.299 1.005 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)ncc1F ZINC000824153270 587258440 /nfs/dbraw/zinc/25/84/40/587258440.db2.gz FZNYWETWCHCAPI-UHFFFAOYSA-N 1 2 225.242 1.999 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(C2CCC2)nn1 ZINC000824620863 587280005 /nfs/dbraw/zinc/28/00/05/587280005.db2.gz CETXHJIBHFCNCY-UHFFFAOYSA-N 1 2 218.304 1.458 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(C2CCC2)nn1 ZINC000824620863 587280006 /nfs/dbraw/zinc/28/00/06/587280006.db2.gz CETXHJIBHFCNCY-UHFFFAOYSA-N 1 2 218.304 1.458 20 30 BDEDLO C=CCCONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824659708 587281458 /nfs/dbraw/zinc/28/14/58/587281458.db2.gz KJPAJPPMPIJXCQ-RKDXNWHRSA-N 1 2 221.260 1.137 20 30 BDEDLO C=CCCONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824659708 587281459 /nfs/dbraw/zinc/28/14/59/587281459.db2.gz KJPAJPPMPIJXCQ-RKDXNWHRSA-N 1 2 221.260 1.137 20 30 BDEDLO C=C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826549406 587354572 /nfs/dbraw/zinc/35/45/72/587354572.db2.gz GHRDIDIQLJKINE-UHFFFAOYSA-N 1 2 205.261 1.131 20 30 BDEDLO CC(C)=C=CC(=O)Nc1cc[nH+]cc1C ZINC000826766134 587361604 /nfs/dbraw/zinc/36/16/04/587361604.db2.gz KUENBFYAFDHWRS-UHFFFAOYSA-N 1 2 202.257 1.410 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000826822815 587363407 /nfs/dbraw/zinc/36/34/07/587363407.db2.gz IQICSCRMMLXNTK-NSHDSACASA-N 1 2 233.315 1.786 20 30 BDEDLO C#Cc1cnc(N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000827384764 587379227 /nfs/dbraw/zinc/37/92/27/587379227.db2.gz XOULTRLGTNTVRF-SNVBAGLBSA-N 1 2 227.271 1.155 20 30 BDEDLO CC(C)C#CC(=O)NCCCCn1cc[nH+]c1 ZINC000827545206 587386963 /nfs/dbraw/zinc/38/69/63/587386963.db2.gz WHPRWILITPGEOF-UHFFFAOYSA-N 1 2 233.315 1.439 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1csnn1)C1CCOCC1 ZINC000827566227 587388959 /nfs/dbraw/zinc/38/89/59/587388959.db2.gz UFGMYBOMOVZARO-LLVKDONJSA-N 1 2 237.328 1.056 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1csnn1)[C@H]1CCCO1 ZINC000828954960 587475387 /nfs/dbraw/zinc/47/53/87/587475387.db2.gz YYZLPMZFLRVRGA-WCABBAIRSA-N 1 2 237.328 1.370 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1csnn1)[C@H]1CCCO1 ZINC000828954957 587475625 /nfs/dbraw/zinc/47/56/25/587475625.db2.gz YYZLPMZFLRVRGA-ATZCPNFKSA-N 1 2 237.328 1.370 20 30 BDEDLO C=CCCCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829442410 587497729 /nfs/dbraw/zinc/49/77/29/587497729.db2.gz SRMQYUNFKCQFHJ-UHFFFAOYSA-N 1 2 248.330 1.623 20 30 BDEDLO C=CCCCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829442410 587497730 /nfs/dbraw/zinc/49/77/30/587497730.db2.gz SRMQYUNFKCQFHJ-UHFFFAOYSA-N 1 2 248.330 1.623 20 30 BDEDLO C#CC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000830321736 587545711 /nfs/dbraw/zinc/54/57/11/587545711.db2.gz ZMWNPHUIVOMPLT-UHFFFAOYSA-N 1 2 231.299 1.792 20 30 BDEDLO C#C[C@H]([NH2+][C@H]1CCn2ccnc21)[C@@H]1CCCO1 ZINC000834770536 587766367 /nfs/dbraw/zinc/76/63/67/587766367.db2.gz VIYWBYPHUUAXFF-SRVKXCTJSA-N 1 2 231.299 1.098 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nccn1CC)[C@H]1CCCO1 ZINC000834768242 587766494 /nfs/dbraw/zinc/76/64/94/587766494.db2.gz ABVSMZHVHQQBHE-FRRDWIJNSA-N 1 2 247.342 1.734 20 30 BDEDLO C#C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C(C)C ZINC000836441418 587833311 /nfs/dbraw/zinc/83/33/11/587833311.db2.gz HADVLADIARPYAA-WDEREUQCSA-N 1 2 246.314 1.285 20 30 BDEDLO C=C(CC)CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836524558 587834450 /nfs/dbraw/zinc/83/44/50/587834450.db2.gz RYIRJXHEEQJJRY-JTQLQIEISA-N 1 2 234.303 1.593 20 30 BDEDLO C=C(CC)CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836524559 587834503 /nfs/dbraw/zinc/83/45/03/587834503.db2.gz RYIRJXHEEQJJRY-SNVBAGLBSA-N 1 2 234.303 1.593 20 30 BDEDLO C#CCO[C@@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000837842238 587899389 /nfs/dbraw/zinc/89/93/89/587899389.db2.gz KHXCYPYWPDYTRQ-LBPRGKRZSA-N 1 2 247.294 1.780 20 30 BDEDLO CO[C@@H]1COCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000840706148 587917206 /nfs/dbraw/zinc/91/72/06/587917206.db2.gz HEVGCSLYVKOULA-NLIPMPTESA-N 1 2 249.310 1.863 20 30 BDEDLO Cn1ncc(C[NH2+]CC2(C#N)CCC2)c1Cl ZINC000841898920 587983035 /nfs/dbraw/zinc/98/30/35/587983035.db2.gz QNPBWRVENXLLED-UHFFFAOYSA-N 1 2 238.722 1.857 20 30 BDEDLO C[C@@H](O)CCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000842019365 587989341 /nfs/dbraw/zinc/98/93/41/587989341.db2.gz MOYQKHCWCJCKAA-MRVPVSSYSA-N 1 2 242.706 1.748 20 30 BDEDLO C=CCOCCO[NH+]=C(N)COC(C)C ZINC000842025770 587989942 /nfs/dbraw/zinc/98/99/42/587989942.db2.gz SQRYNDHVWBJEAW-UHFFFAOYSA-N 1 2 216.281 1.112 20 30 BDEDLO C=C(CC)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842658492 588049861 /nfs/dbraw/zinc/04/98/61/588049861.db2.gz ZDWBVUIOUNHRIK-NSHDSACASA-N 1 2 242.319 1.647 20 30 BDEDLO C#CCCCCC(=O)NCCc1c[nH+]cn1C ZINC000121524138 588075407 /nfs/dbraw/zinc/07/54/07/588075407.db2.gz VUQKLYAZBKYMNZ-UHFFFAOYSA-N 1 2 233.315 1.272 20 30 BDEDLO C#CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000844046914 588158211 /nfs/dbraw/zinc/15/82/11/588158211.db2.gz LIBOAUWUHUYLOF-UHFFFAOYSA-N 1 2 245.326 1.559 20 30 BDEDLO N#CC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000844289058 588180979 /nfs/dbraw/zinc/18/09/79/588180979.db2.gz ZFJIGSIOPDAPER-UHFFFAOYSA-N 1 2 244.342 1.955 20 30 BDEDLO C/C=C(/CC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844528820 588200873 /nfs/dbraw/zinc/20/08/73/588200873.db2.gz ZHMWNJYKNBVNPO-XTOZHPGHSA-N 1 2 223.320 1.303 20 30 BDEDLO C=C(C)CO[NH+]=Cc1c(Cl)nc(N)n1C ZINC000844619436 588209070 /nfs/dbraw/zinc/20/90/70/588209070.db2.gz DTOHVRQWHNEALC-UHFFFAOYSA-N 1 2 228.683 1.582 20 30 BDEDLO C#C[C@H](CC)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845516770 588231723 /nfs/dbraw/zinc/23/17/23/588231723.db2.gz PIZRRBTVYSATRN-GHMZBOCLSA-N 1 2 220.272 1.789 20 30 BDEDLO C=C[C@@H](C)ONC(=O)CCCn1cc[nH+]c1 ZINC000846548116 588274927 /nfs/dbraw/zinc/27/49/27/588274927.db2.gz DDRIXEFRVOEMKQ-SNVBAGLBSA-N 1 2 223.276 1.286 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000846662705 588281533 /nfs/dbraw/zinc/28/15/33/588281533.db2.gz GDBLIHLUGNEZGD-NXEZZACHSA-N 1 2 235.287 1.068 20 30 BDEDLO C=C(Cl)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000846931280 588297396 /nfs/dbraw/zinc/29/73/96/588297396.db2.gz HBWKMIFAZVMGIO-LBPRGKRZSA-N 1 2 244.766 1.536 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000846991915 588300716 /nfs/dbraw/zinc/30/07/16/588300716.db2.gz JOPUMEIYQQVGDI-SNVBAGLBSA-N 1 2 247.298 1.613 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000847018475 588302073 /nfs/dbraw/zinc/30/20/73/588302073.db2.gz KIJPTZSIWGUCTA-LLVKDONJSA-N 1 2 236.294 1.093 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000847018475 588302074 /nfs/dbraw/zinc/30/20/74/588302074.db2.gz KIJPTZSIWGUCTA-LLVKDONJSA-N 1 2 236.294 1.093 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000847022054 588302991 /nfs/dbraw/zinc/30/29/91/588302991.db2.gz DXGZCSBZCFZYII-SECBINFHSA-N 1 2 248.248 1.010 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000847022054 588302992 /nfs/dbraw/zinc/30/29/92/588302992.db2.gz DXGZCSBZCFZYII-SECBINFHSA-N 1 2 248.248 1.010 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC000847117850 588306771 /nfs/dbraw/zinc/30/67/71/588306771.db2.gz UFWUZBFFJUEKNN-UTUOFQBUSA-N 1 2 245.326 1.298 20 30 BDEDLO C#CCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000847533315 588315931 /nfs/dbraw/zinc/31/59/31/588315931.db2.gz XCQMZVGLVFMFBY-UHFFFAOYSA-N 1 2 241.294 1.786 20 30 BDEDLO C#CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000848238113 588366735 /nfs/dbraw/zinc/36/67/35/588366735.db2.gz NDUIRVWPWUEBLI-NSHDSACASA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000848238113 588366736 /nfs/dbraw/zinc/36/67/36/588366736.db2.gz NDUIRVWPWUEBLI-NSHDSACASA-N 1 2 245.326 1.460 20 30 BDEDLO N#C[C@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416548 588381458 /nfs/dbraw/zinc/38/14/58/588381458.db2.gz OXVKSKLHNNMIGY-LBPRGKRZSA-N 1 2 245.330 1.933 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1ccoc1 ZINC000848418810 588381989 /nfs/dbraw/zinc/38/19/89/588381989.db2.gz VAWIDBARZOQBEP-UHFFFAOYSA-N 1 2 218.260 1.490 20 30 BDEDLO CCn1ccnc1C=NNCCCn1cc[nH+]c1 ZINC000848418226 588382408 /nfs/dbraw/zinc/38/24/08/588382408.db2.gz JXDVRDOSSCAPNB-UHFFFAOYSA-N 1 2 246.318 1.113 20 30 BDEDLO N#CCC[NH2+]Cc1noc2ccccc12 ZINC000848676263 588404794 /nfs/dbraw/zinc/40/47/94/588404794.db2.gz QXGCCMZJFSHKST-UHFFFAOYSA-N 1 2 201.229 1.831 20 30 BDEDLO C#C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000848750715 588411097 /nfs/dbraw/zinc/41/10/97/588411097.db2.gz UPYKQSYKSGREFV-NSHDSACASA-N 1 2 201.273 1.635 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCCCCC)nn1 ZINC000849140330 588454909 /nfs/dbraw/zinc/45/49/09/588454909.db2.gz NNBXYRAVDQREJW-UHFFFAOYSA-N 1 2 234.347 1.971 20 30 BDEDLO N#CCC1C[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000849326069 588473217 /nfs/dbraw/zinc/47/32/17/588473217.db2.gz BVKKHYUSQVMYRA-CYBMUJFWSA-N 1 2 234.274 1.705 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C)c(C)[nH]1)[C@@H]1CCCO1 ZINC000850250710 588531999 /nfs/dbraw/zinc/53/19/99/588531999.db2.gz CFTSQZKXNCYOJT-RYUDHWBXSA-N 1 2 233.315 1.297 20 30 BDEDLO C#C[C@H](NCc1[nH]c(C)c(C)[nH+]1)[C@@H]1CCCO1 ZINC000850250710 588532001 /nfs/dbraw/zinc/53/20/01/588532001.db2.gz CFTSQZKXNCYOJT-RYUDHWBXSA-N 1 2 233.315 1.297 20 30 BDEDLO Cn1ncc(C[NH2+]CC2(C#N)CCCCC2)n1 ZINC000850391541 588543312 /nfs/dbraw/zinc/54/33/12/588543312.db2.gz UGDLJVRMBNJABE-UHFFFAOYSA-N 1 2 233.319 1.379 20 30 BDEDLO C=CC[N@@H+](CCCOC)CC(=O)OCC ZINC000110054388 588609834 /nfs/dbraw/zinc/60/98/34/588609834.db2.gz YAXAPPAQKRRVFE-UHFFFAOYSA-N 1 2 215.293 1.074 20 30 BDEDLO C=CC[N@H+](CCCOC)CC(=O)OCC ZINC000110054388 588609835 /nfs/dbraw/zinc/60/98/35/588609835.db2.gz YAXAPPAQKRRVFE-UHFFFAOYSA-N 1 2 215.293 1.074 20 30 BDEDLO CC[N@@H+](CC#N)CC[C@@H]1COC(C)(C)O1 ZINC000851744904 588621677 /nfs/dbraw/zinc/62/16/77/588621677.db2.gz RHPYJIDDACXMEV-SNVBAGLBSA-N 1 2 212.293 1.373 20 30 BDEDLO CC[N@H+](CC#N)CC[C@@H]1COC(C)(C)O1 ZINC000851744904 588621678 /nfs/dbraw/zinc/62/16/78/588621678.db2.gz RHPYJIDDACXMEV-SNVBAGLBSA-N 1 2 212.293 1.373 20 30 BDEDLO N#C[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCN1C1CC1 ZINC000851768706 588625643 /nfs/dbraw/zinc/62/56/43/588625643.db2.gz NQDRLFBSBAEUNR-XFMPKHEZSA-N 1 2 245.370 1.705 20 30 BDEDLO N#C[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCN1C1CC1 ZINC000851768706 588625644 /nfs/dbraw/zinc/62/56/44/588625644.db2.gz NQDRLFBSBAEUNR-XFMPKHEZSA-N 1 2 245.370 1.705 20 30 BDEDLO N#CC[N@@H+](CCOC(F)F)C1CCCC1 ZINC000851780383 588627275 /nfs/dbraw/zinc/62/72/75/588627275.db2.gz WVEBJSZBJWNRKN-UHFFFAOYSA-N 1 2 218.247 1.994 20 30 BDEDLO N#CC[N@H+](CCOC(F)F)C1CCCC1 ZINC000851780383 588627276 /nfs/dbraw/zinc/62/72/76/588627276.db2.gz WVEBJSZBJWNRKN-UHFFFAOYSA-N 1 2 218.247 1.994 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)nc(C)n1 ZINC000851785339 588628142 /nfs/dbraw/zinc/62/81/42/588628142.db2.gz PZWHLJOGHGTXAL-UHFFFAOYSA-N 1 2 227.311 1.552 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(C)nc(C)n1 ZINC000851785339 588628143 /nfs/dbraw/zinc/62/81/43/588628143.db2.gz PZWHLJOGHGTXAL-UHFFFAOYSA-N 1 2 227.311 1.552 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@H](O)c1ccccn1)C1CC1 ZINC000851866836 588637002 /nfs/dbraw/zinc/63/70/02/588637002.db2.gz XGDPLVVXSKYWSQ-RISCZKNCSA-N 1 2 245.326 1.739 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)c1ccccn1)C1CC1 ZINC000851866836 588637003 /nfs/dbraw/zinc/63/70/03/588637003.db2.gz XGDPLVVXSKYWSQ-RISCZKNCSA-N 1 2 245.326 1.739 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851977485 588650518 /nfs/dbraw/zinc/65/05/18/588650518.db2.gz BFUFSWYCKLTIQX-UHFFFAOYSA-N 1 2 237.690 1.239 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851977485 588650519 /nfs/dbraw/zinc/65/05/19/588650519.db2.gz BFUFSWYCKLTIQX-UHFFFAOYSA-N 1 2 237.690 1.239 20 30 BDEDLO C#CCOCC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000852046065 588657544 /nfs/dbraw/zinc/65/75/44/588657544.db2.gz OXDPJVDXEJCJRA-LBPRGKRZSA-N 1 2 249.314 1.555 20 30 BDEDLO C#CCOCC[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000852046065 588657545 /nfs/dbraw/zinc/65/75/45/588657545.db2.gz OXDPJVDXEJCJRA-LBPRGKRZSA-N 1 2 249.314 1.555 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000852099740 588662572 /nfs/dbraw/zinc/66/25/72/588662572.db2.gz PKHTXDRALGEDDS-KWQFWETISA-N 1 2 207.277 1.831 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(C)no1 ZINC000852100266 588662848 /nfs/dbraw/zinc/66/28/48/588662848.db2.gz VIWVIAYUKONWCT-GZMMTYOYSA-N 1 2 207.277 1.831 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnnn1C(C)(C)C ZINC000852101588 588662934 /nfs/dbraw/zinc/66/29/34/588662934.db2.gz RGJJFQMONISNRM-GFCCVEGCSA-N 1 2 235.335 1.320 20 30 BDEDLO C[C@@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333745 588678698 /nfs/dbraw/zinc/67/86/98/588678698.db2.gz UJVHUZGYVRCXMX-OCCSQVGLSA-N 1 2 245.326 1.320 20 30 BDEDLO C[C@@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333745 588678699 /nfs/dbraw/zinc/67/86/99/588678699.db2.gz UJVHUZGYVRCXMX-OCCSQVGLSA-N 1 2 245.326 1.320 20 30 BDEDLO C[C@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332667 588678708 /nfs/dbraw/zinc/67/87/08/588678708.db2.gz UJVHUZGYVRCXMX-JSGCOSHPSA-N 1 2 245.326 1.320 20 30 BDEDLO C[C@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332667 588678709 /nfs/dbraw/zinc/67/87/09/588678709.db2.gz UJVHUZGYVRCXMX-JSGCOSHPSA-N 1 2 245.326 1.320 20 30 BDEDLO C=CC[N@H+]([C@H](C)COC)[C@@H](C)C(=O)OCCC ZINC000852358327 588679868 /nfs/dbraw/zinc/67/98/68/588679868.db2.gz QCVLSUMSWMUTCP-NEPJUHHUSA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@@H+]([C@H](C)COC)[C@@H](C)C(=O)OCCC ZINC000852358327 588679869 /nfs/dbraw/zinc/67/98/69/588679869.db2.gz QCVLSUMSWMUTCP-NEPJUHHUSA-N 1 2 243.347 1.851 20 30 BDEDLO CC[N@H+](CC[C@H]1CCOC1=O)[C@H](C)C#N ZINC000852638443 588692686 /nfs/dbraw/zinc/69/26/86/588692686.db2.gz BZUNQMSIGXCXSY-ZJUUUORDSA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@@H+](CC[C@H]1CCOC1=O)[C@H](C)C#N ZINC000852638443 588692687 /nfs/dbraw/zinc/69/26/87/588692687.db2.gz BZUNQMSIGXCXSY-ZJUUUORDSA-N 1 2 210.277 1.174 20 30 BDEDLO CCN1C[C@@H](C[N@@H+]2CC[C@@](C)(C#N)C2)OC1=O ZINC000852687145 588696333 /nfs/dbraw/zinc/69/63/33/588696333.db2.gz PZFOVJFDQGBYSR-PWSUYJOCSA-N 1 2 237.303 1.063 20 30 BDEDLO CCN1C[C@@H](C[N@H+]2CC[C@@](C)(C#N)C2)OC1=O ZINC000852687145 588696334 /nfs/dbraw/zinc/69/63/34/588696334.db2.gz PZFOVJFDQGBYSR-PWSUYJOCSA-N 1 2 237.303 1.063 20 30 BDEDLO C#CCC[N@@H+](CCOC)CC(=O)OCC(C)C ZINC000852751239 588700316 /nfs/dbraw/zinc/70/03/16/588700316.db2.gz UHVCEUZGYILNSP-UHFFFAOYSA-N 1 2 241.331 1.157 20 30 BDEDLO C#CCC[N@H+](CCOC)CC(=O)OCC(C)C ZINC000852751239 588700317 /nfs/dbraw/zinc/70/03/17/588700317.db2.gz UHVCEUZGYILNSP-UHFFFAOYSA-N 1 2 241.331 1.157 20 30 BDEDLO Cc1cccc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000863160739 589264988 /nfs/dbraw/zinc/26/49/88/589264988.db2.gz QPAZBEHBAOZXJQ-UHFFFAOYSA-N 1 2 241.298 1.979 20 30 BDEDLO CCO[C@@H]1CC(=[NH+]n2cccn2)[C@H]1SC ZINC000863163802 589266097 /nfs/dbraw/zinc/26/60/97/589266097.db2.gz PQDBXAUHDPNISW-NXEZZACHSA-N 1 2 225.317 1.628 20 30 BDEDLO CC(=Nn1cccn1)c1cn(C)c(C)[nH+]1 ZINC000863163951 589266353 /nfs/dbraw/zinc/26/63/53/589266353.db2.gz UWVFMDYCXATFFI-UHFFFAOYSA-N 1 2 203.249 1.197 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC2(C1)OCCO2 ZINC000119736785 589329428 /nfs/dbraw/zinc/32/94/28/589329428.db2.gz GFJKIHZIUWQJGE-UHFFFAOYSA-N 1 2 203.669 1.188 20 30 BDEDLO COC(=O)C1CC(/[NH+]=C\c2ccccc2O)C1 ZINC000864347053 589354780 /nfs/dbraw/zinc/35/47/80/589354780.db2.gz JEVQSFYEYYAQPZ-ZSOIEALJSA-N 1 2 233.267 1.763 20 30 BDEDLO COCC#CCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376160 589428490 /nfs/dbraw/zinc/42/84/90/589428490.db2.gz BPRYVBYQBPGMTM-UHFFFAOYSA-N 1 2 206.289 1.830 20 30 BDEDLO C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O 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ZINC000124156457 589952634 /nfs/dbraw/zinc/95/26/34/589952634.db2.gz DRUHJUABODPGPA-UHFFFAOYSA-N 1 2 208.236 1.873 20 30 BDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC1CC1 ZINC000124381766 589983808 /nfs/dbraw/zinc/98/38/08/589983808.db2.gz MBKXQIUFMLOVFA-VIFPVBQESA-N 1 2 214.309 1.746 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000874860690 590149679 /nfs/dbraw/zinc/14/96/79/590149679.db2.gz OEZWEWFLHIPOFM-HAQNSBGRSA-N 1 2 231.299 1.191 20 30 BDEDLO C[C@@H](C#N)CNc1nccn2c[nH+]cc12 ZINC000874962863 590157728 /nfs/dbraw/zinc/15/77/28/590157728.db2.gz PNDDNURPXJBDGK-QMMMGPOBSA-N 1 2 201.233 1.301 20 30 BDEDLO CCC[C@H](CC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000875704218 590169231 /nfs/dbraw/zinc/16/92/31/590169231.db2.gz BILPNWZLMQRBTP-AAEUAGOBSA-N 1 2 239.363 1.773 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000876744358 590236135 /nfs/dbraw/zinc/23/61/35/590236135.db2.gz BXIJCVXTXMOHSY-UHFFFAOYSA-N 1 2 244.294 1.178 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cncc(OC)c1C 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C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000877901329 590443555 /nfs/dbraw/zinc/44/35/55/590443555.db2.gz KNWWGYJZSUMGBT-OUAUKWLOSA-N 1 2 227.304 1.213 20 30 BDEDLO C=CC(C)(C)CC(=O)NCCCn1cc[nH+]c1 ZINC000877949951 590454475 /nfs/dbraw/zinc/45/44/75/590454475.db2.gz SSIXLXDAVUNPGO-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000877995813 590468415 /nfs/dbraw/zinc/46/84/15/590468415.db2.gz WLQSVDJUOYXZBQ-MNOVXSKESA-N 1 2 241.331 1.603 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000877995813 590468418 /nfs/dbraw/zinc/46/84/18/590468418.db2.gz WLQSVDJUOYXZBQ-MNOVXSKESA-N 1 2 241.331 1.603 20 30 BDEDLO CC(C)(O)C[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000878121688 590498692 /nfs/dbraw/zinc/49/86/92/590498692.db2.gz WBLOVWOPJMTXKP-GFCCVEGCSA-N 1 2 240.347 1.276 20 30 BDEDLO CC(C)(O)C[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000878121688 590498694 /nfs/dbraw/zinc/49/86/94/590498694.db2.gz WBLOVWOPJMTXKP-GFCCVEGCSA-N 1 2 240.347 1.276 20 30 BDEDLO CN(CCC#N)Cc1[nH+]ccn1CC(F)F ZINC000878175456 590515862 /nfs/dbraw/zinc/51/58/62/590515862.db2.gz SALFTHDCZADPGH-UHFFFAOYSA-N 1 2 228.246 1.494 20 30 BDEDLO C[C@@H](CC#N)N(C)Cc1[nH+]ccn1CC(F)F ZINC000878188561 590520435 /nfs/dbraw/zinc/52/04/35/590520435.db2.gz LTUSWFGLVPXWNK-VIFPVBQESA-N 1 2 242.273 1.882 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](CCC)C1 ZINC000878306636 590539507 /nfs/dbraw/zinc/53/95/07/590539507.db2.gz COZPAOCABQFWJM-NEPJUHHUSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](CCC)C1 ZINC000878306636 590539509 /nfs/dbraw/zinc/53/95/09/590539509.db2.gz COZPAOCABQFWJM-NEPJUHHUSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCOC2(CCC2)C1 ZINC000878331373 590548580 /nfs/dbraw/zinc/54/85/80/590548580.db2.gz TWVBKGLQXXEZMI-NSHDSACASA-N 1 2 239.315 1.359 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCOC2(CCC2)C1 ZINC000878331373 590548582 /nfs/dbraw/zinc/54/85/82/590548582.db2.gz TWVBKGLQXXEZMI-NSHDSACASA-N 1 2 239.315 1.359 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000878385783 590558841 /nfs/dbraw/zinc/55/88/41/590558841.db2.gz RWRAVAVQIXHEAS-VXGBXAGGSA-N 1 2 241.331 1.461 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000878385783 590558843 /nfs/dbraw/zinc/55/88/43/590558843.db2.gz RWRAVAVQIXHEAS-VXGBXAGGSA-N 1 2 241.331 1.461 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000878484163 590577068 /nfs/dbraw/zinc/57/70/68/590577068.db2.gz LTBNENFCUHPVIF-AAEUAGOBSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000878484163 590577071 /nfs/dbraw/zinc/57/70/71/590577071.db2.gz LTBNENFCUHPVIF-AAEUAGOBSA-N 1 2 241.331 1.605 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878501518 590581077 /nfs/dbraw/zinc/58/10/77/590581077.db2.gz QKVYLGAMAVQWIQ-LLVKDONJSA-N 1 2 223.316 1.672 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878501518 590581079 /nfs/dbraw/zinc/58/10/79/590581079.db2.gz 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/nfs/dbraw/zinc/21/72/21/636217221.db2.gz MFZUJVMJLPSPNF-NSHDSACASA-N 1 2 233.315 1.459 20 30 BDEDLO C=C1CCC(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000897362760 636456547 /nfs/dbraw/zinc/45/65/47/636456547.db2.gz BSLBUGPIDCIPKE-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO CC(=O)C(C)=NOCc1ccc(N)[nH+]c1 ZINC000902758157 637333303 /nfs/dbraw/zinc/33/33/03/637333303.db2.gz IOXCYQPPYHTUOW-UHFFFAOYSA-N 1 2 207.233 1.145 20 30 BDEDLO CN1C[C@H](CC/[NH+]=C/c2ccccc2O)CC1=O ZINC000905002853 637540704 /nfs/dbraw/zinc/54/07/04/637540704.db2.gz SAEKSHIGUFYSMS-BTAWCLGRSA-N 1 2 246.310 1.680 20 30 BDEDLO C#CC[N@H+](CN1CC(C)(C)OC1=O)C(C)C ZINC000905749609 637896781 /nfs/dbraw/zinc/89/67/81/637896781.db2.gz PNFBHWJQKWOBEU-UHFFFAOYSA-N 1 2 224.304 1.518 20 30 BDEDLO C#CC[N@@H+](CN1CC(C)(C)OC1=O)C(C)C ZINC000905749609 637896785 /nfs/dbraw/zinc/89/67/85/637896785.db2.gz PNFBHWJQKWOBEU-UHFFFAOYSA-N 1 2 224.304 1.518 20 30 BDEDLO C#CC[N@H+](CN1C[C@H]2CCCCN2C1=O)C(C)C ZINC000905749200 637897503 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/nfs/dbraw/zinc/81/11/03/978811103.db2.gz NSVGQFFLIKJBET-UHFFFAOYSA-N 1 2 203.285 1.592 20 30 BDEDLO CCc1n[nH]cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001237656876 980018976 /nfs/dbraw/zinc/01/89/76/980018976.db2.gz WCHKFUGPIQBVFG-GFCCVEGCSA-N 1 2 218.304 1.708 20 30 BDEDLO CCc1n[nH]cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001237656876 980018983 /nfs/dbraw/zinc/01/89/83/980018983.db2.gz WCHKFUGPIQBVFG-GFCCVEGCSA-N 1 2 218.304 1.708 20 30 BDEDLO C=C(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001351153101 982220343 /nfs/dbraw/zinc/22/03/43/982220343.db2.gz QHHONTXHWZLHFT-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=S)Nc1cc[nH+]c(CC)c1 ZINC001200280140 982799204 /nfs/dbraw/zinc/79/92/04/982799204.db2.gz XAWJCZALRVNEDP-UHFFFAOYSA-N 1 2 221.329 1.538 20 30 BDEDLO C=CCN1CC[C@]2(CC[N@@H+](CC(F)F)C2)C1=O ZINC001273844757 983092629 /nfs/dbraw/zinc/09/26/29/983092629.db2.gz FTAYMLTUNQUHLK-LBPRGKRZSA-N 1 2 244.285 1.362 20 30 BDEDLO C=CCN1CC[C@]2(CC[N@H+](CC(F)F)C2)C1=O ZINC001273844757 983092638 /nfs/dbraw/zinc/09/26/38/983092638.db2.gz FTAYMLTUNQUHLK-LBPRGKRZSA-N 1 2 244.285 1.362 20 30 BDEDLO C#CCCC[N@H+](CC#C)CC(=O)OC(C)(C)C ZINC000852425064 983755919 /nfs/dbraw/zinc/75/59/19/983755919.db2.gz KZBRLAFHTJEWNY-UHFFFAOYSA-N 1 2 235.327 1.677 20 30 BDEDLO C#CCCC[N@@H+](CC#C)CC(=O)OC(C)(C)C ZINC000852425064 983755926 /nfs/dbraw/zinc/75/59/26/983755926.db2.gz KZBRLAFHTJEWNY-UHFFFAOYSA-N 1 2 235.327 1.677 20 30 BDEDLO C#C[C@@H]1CCC[C@@H]1OCc1c[nH+]cn1C ZINC001222600105 972600457 /nfs/dbraw/zinc/60/04/57/972600457.db2.gz JIWFPSJMEBYEBF-PWSUYJOCSA-N 1 2 204.273 1.739 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(=C)C(F)(F)F)CC1 ZINC001144207763 972676322 /nfs/dbraw/zinc/67/63/22/972676322.db2.gz VRYBJTTVVBOFMC-UHFFFAOYSA-N 1 2 248.248 1.435 20 30 BDEDLO CC(C)CC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001256363469 970766597 /nfs/dbraw/zinc/76/65/97/970766597.db2.gz KINSYEBFHGTBOT-RYUDHWBXSA-N 1 2 209.337 1.608 20 30 BDEDLO C#CCOCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129480304 970844858 /nfs/dbraw/zinc/84/48/58/970844858.db2.gz FRDPREOFKBZJSV-UHFFFAOYSA-N 1 2 243.266 1.313 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccncc1)C(=O)OC ZINC001256726092 970948538 /nfs/dbraw/zinc/94/85/38/970948538.db2.gz PXEBIYOQYSLRNC-YPMHNXCESA-N 1 2 248.326 1.720 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CC ZINC001257428021 971334489 /nfs/dbraw/zinc/33/44/89/971334489.db2.gz YXQDGWIYCHVGMM-SFYZADRCSA-N 1 2 205.323 1.236 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC001257663129 971463540 /nfs/dbraw/zinc/46/35/40/971463540.db2.gz UGCOXJNSKFSYSJ-UWVGGRQHSA-N 1 2 229.345 1.589 20 30 BDEDLO Nc1[nH+]ccc(F)c1NCCCS ZINC001171003469 972228115 /nfs/dbraw/zinc/22/81/15/972228115.db2.gz BXKUUWWIFLHHJV-UHFFFAOYSA-N 1 2 201.270 1.535 20 30 BDEDLO C=CCN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001136683131 972236650 /nfs/dbraw/zinc/23/66/50/972236650.db2.gz RXULVWIURXNJMB-UHFFFAOYSA-N 1 2 221.304 1.684 20 30 BDEDLO N#CCc1ccc[nH+]c1NCc1cncnc1 ZINC001167253004 957591496 /nfs/dbraw/zinc/59/14/96/957591496.db2.gz GHOGHHKBZLDDML-UHFFFAOYSA-N 1 2 225.255 1.550 20 30 BDEDLO C#Cc1cc(Nc2cccnc2C#N)cc[nH+]1 ZINC001210141734 957649866 /nfs/dbraw/zinc/64/98/66/957649866.db2.gz ZNTGZFVCBYNHKC-UHFFFAOYSA-N 1 2 220.235 1.495 20 30 BDEDLO C#Cc1cc(Nc2cnc(OC)c(F)c2)cc[nH+]1 ZINC001203400938 958179226 /nfs/dbraw/zinc/17/92/26/958179226.db2.gz LVYMPVCFCHYBLQ-UHFFFAOYSA-N 1 2 243.241 1.771 20 30 BDEDLO N#C[C@H]1CC[C@@H](OCCn2cc[nH+]c2)C1 ZINC001222129245 972376732 /nfs/dbraw/zinc/37/67/32/972376732.db2.gz MYJUWARTVNVXSK-WDEREUQCSA-N 1 2 205.261 1.592 20 30 BDEDLO CC1=C(OCCn2cc[nH+]c2)C(=O)[C@@H](C)O1 ZINC001222135466 972382336 /nfs/dbraw/zinc/38/23/36/972382336.db2.gz YNYSRPGKSYXDLI-MRVPVSSYSA-N 1 2 222.244 1.119 20 30 BDEDLO C=C1O[C@H](C)C(=O)C1OCCn1cc[nH+]c1 ZINC001222135466 972382347 /nfs/dbraw/zinc/38/23/47/972382347.db2.gz YNYSRPGKSYXDLI-MRVPVSSYSA-N 1 2 222.244 1.119 20 30 BDEDLO N#Cc1ccnc(NCc2cc[nH+]c(N)c2)c1 ZINC001167611722 959059805 /nfs/dbraw/zinc/05/98/05/959059805.db2.gz AVZOPAJCNVTVDN-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO C[Si](C)(C)C#C[NH2+][C@H]1NC(=O)c2ccccc21 ZINC001171126073 972465042 /nfs/dbraw/zinc/46/50/42/972465042.db2.gz NLSOPWGVCVULLM-LBPRGKRZSA-N 1 2 244.370 1.857 20 30 BDEDLO C=CC[C@H](C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001144022317 972493037 /nfs/dbraw/zinc/49/30/37/972493037.db2.gz SHZDEMYWJYCHEC-VIFPVBQESA-N 1 2 221.304 1.589 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692554538 960291562 /nfs/dbraw/zinc/29/15/62/960291562.db2.gz VEKFRUYEJQUJAR-ZDUSSCGKSA-N 1 2 248.330 1.674 20 30 BDEDLO C=CC[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001144029008 972505231 /nfs/dbraw/zinc/50/52/31/972505231.db2.gz OTUIHEVKYFXRPK-JTQLQIEISA-N 1 2 221.304 1.291 20 30 BDEDLO N#C[C@H]1COCCN1Cc1ccn2cc[nH+]c2c1 ZINC001141046509 960836487 /nfs/dbraw/zinc/83/64/87/960836487.db2.gz CRUVLLMQQZZPHQ-LBPRGKRZSA-N 1 2 242.282 1.059 20 30 BDEDLO C=C1CCC(CNC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000724710755 961027795 /nfs/dbraw/zinc/02/77/95/961027795.db2.gz HTFBGBVODYZPTL-SNVBAGLBSA-N 1 2 246.301 1.832 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)C ZINC001268230689 961457731 /nfs/dbraw/zinc/45/77/31/961457731.db2.gz NBSOYOJZTBWJHW-UHFFFAOYSA-N 1 2 232.755 1.785 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)C ZINC001268230689 961457737 /nfs/dbraw/zinc/45/77/37/961457737.db2.gz NBSOYOJZTBWJHW-UHFFFAOYSA-N 1 2 232.755 1.785 20 30 BDEDLO CC1(C#N)CN(C(=O)c2c[nH]c3cc[nH+]cc32)C1 ZINC001152969483 962508738 /nfs/dbraw/zinc/50/87/38/962508738.db2.gz RZZSKJNCPXWEAO-UHFFFAOYSA-N 1 2 240.266 1.549 20 30 BDEDLO C#CCNc1nc(N2CCCC2)c(C)c[nH+]1 ZINC001155648130 963134949 /nfs/dbraw/zinc/13/49/49/963134949.db2.gz RRAKKVKPHNRGPG-UHFFFAOYSA-N 1 2 216.288 1.430 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1cc2ccsc2cn1 ZINC001156319796 963310509 /nfs/dbraw/zinc/31/05/09/963310509.db2.gz GDTRUXCXUFEQHS-JTQLQIEISA-N 1 2 244.323 1.598 20 30 BDEDLO Cc1ccc(Cl)nc1N1CC[NH2+]C[C@@H]1C#N ZINC001156320963 963310656 /nfs/dbraw/zinc/31/06/56/963310656.db2.gz JZWDBDUYCJZMOO-VIFPVBQESA-N 1 2 236.706 1.345 20 30 BDEDLO N#Cc1cccnc1NCc1cc[nH+]c(N)c1 ZINC001156755509 963453736 /nfs/dbraw/zinc/45/37/36/963453736.db2.gz DMYKEYFUOCQUOA-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO Cn1c[nH+]cc1CN(CC#N)Cc1ccccc1 ZINC001204387564 963946571 /nfs/dbraw/zinc/94/65/71/963946571.db2.gz PDRUWEGMCKVPJW-UHFFFAOYSA-N 1 2 240.310 1.946 20 30 BDEDLO C=CCCCNc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001159264040 964041132 /nfs/dbraw/zinc/04/11/32/964041132.db2.gz NBUFCDPVBPGYQH-UHFFFAOYSA-N 1 2 244.302 1.744 20 30 BDEDLO N#CC1(c2cc[nH+]c(N[C@H]3C[C@@H](CO)C3)c2)CC1 ZINC001168243238 964050383 /nfs/dbraw/zinc/05/03/83/964050383.db2.gz OJNXFKNWNXPSFY-KLPPZKSPSA-N 1 2 243.310 1.820 20 30 BDEDLO Cc1c[nH+]c(NCCCS)c(/C=N/O)c1 ZINC001159869609 964216975 /nfs/dbraw/zinc/21/69/75/964216975.db2.gz MPZZDWHLBOUHMT-NTUHNPAUSA-N 1 2 225.317 1.930 20 30 BDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cccc(C2CC2)[nH+]1 ZINC001160178782 964267846 /nfs/dbraw/zinc/26/78/46/964267846.db2.gz NHJDTSUVQLOCIX-UFBFGSQYSA-N 1 2 247.298 1.607 20 30 BDEDLO C[C@@H](CO)CCNc1cc(CC#N)cc[nH+]1 ZINC001160604020 964351858 /nfs/dbraw/zinc/35/18/58/964351858.db2.gz XLNHSSYTPZYBNP-SNVBAGLBSA-N 1 2 219.288 1.578 20 30 BDEDLO C=C(C)C(=O)NCCOc1cc[nH+]cc1 ZINC001142519074 964360432 /nfs/dbraw/zinc/36/04/32/964360432.db2.gz STNQIELNANOUPY-UHFFFAOYSA-N 1 2 206.245 1.153 20 30 BDEDLO C[C@@]1(O)C[C@H](CNc2ccc(CC#N)c[nH+]2)C1 ZINC001168340256 964477369 /nfs/dbraw/zinc/47/73/69/964477369.db2.gz HSXGMZYSNBGNID-BJHJDKERSA-N 1 2 231.299 1.721 20 30 BDEDLO N#CCc1ccc(NCC2COC2)[nH+]c1 ZINC001161942891 964827441 /nfs/dbraw/zinc/82/74/41/964827441.db2.gz CICNTDCOLBAZFT-UHFFFAOYSA-N 1 2 203.245 1.206 20 30 BDEDLO N#CCc1ccc[nH+]c1NC[C@H](O)c1ccco1 ZINC001162251428 964890346 /nfs/dbraw/zinc/89/03/46/964890346.db2.gz HQXBMAGWFWPBDA-NSHDSACASA-N 1 2 243.266 1.886 20 30 BDEDLO CCCC[C@H](Nc1cc(CC#N)cc[nH+]1)C(N)=O ZINC001162279607 964907072 /nfs/dbraw/zinc/90/70/72/964907072.db2.gz PAEGMAFUMLCEHR-NSHDSACASA-N 1 2 246.314 1.604 20 30 BDEDLO N#CCc1ccc[nH+]c1NC[C@@H]1CCNC(=O)C1 ZINC001162324310 964928659 /nfs/dbraw/zinc/92/86/59/964928659.db2.gz AWEROHBOLZRXCQ-SNVBAGLBSA-N 1 2 244.298 1.086 20 30 BDEDLO C#C[C@H](C)Nc1nc(NC(C)C)c(OC)c[nH+]1 ZINC001163155812 965271614 /nfs/dbraw/zinc/27/16/14/965271614.db2.gz NDHACMIACNCVLL-VIFPVBQESA-N 1 2 234.303 1.739 20 30 BDEDLO Cc1ccc(Cl)nc1N1CC[NH2+]C[C@H]1C#N ZINC001164625701 965931722 /nfs/dbraw/zinc/93/17/22/965931722.db2.gz JZWDBDUYCJZMOO-SECBINFHSA-N 1 2 236.706 1.345 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(O)c(O)c1 ZINC001203881915 966808873 /nfs/dbraw/zinc/80/88/73/966808873.db2.gz YBRGVPOKOYJEOD-UHFFFAOYSA-N 1 2 215.252 1.166 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3cccnc3)CC[C@@H]2S1 ZINC001204074411 966883542 /nfs/dbraw/zinc/88/35/42/966883542.db2.gz MYPKICFAKUUQKC-LBPRGKRZSA-N 1 2 246.335 1.856 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3cccnc3)CC[C@@H]2S1 ZINC001204074411 966883550 /nfs/dbraw/zinc/88/35/50/966883550.db2.gz MYPKICFAKUUQKC-LBPRGKRZSA-N 1 2 246.335 1.856 20 30 BDEDLO C#Cc1cc(Nc2ccc(N)c(OC)c2)cc[nH+]1 ZINC001249714224 967036767 /nfs/dbraw/zinc/03/67/67/967036767.db2.gz DAAIZISSYXWYQO-UHFFFAOYSA-N 1 2 239.278 1.819 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001205744654 967808178 /nfs/dbraw/zinc/80/81/78/967808178.db2.gz KWFXZFUCKAXPEM-JTQLQIEISA-N 1 2 244.273 1.518 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000694575822 967888328 /nfs/dbraw/zinc/88/83/28/967888328.db2.gz GAYDFUZCBNSDBG-WDEREUQCSA-N 1 2 207.277 1.151 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000694575822 967888330 /nfs/dbraw/zinc/88/83/30/967888330.db2.gz GAYDFUZCBNSDBG-WDEREUQCSA-N 1 2 207.277 1.151 20 30 BDEDLO Cc1cc(-c2ccc(C#N)cn2)c[nH+]c1N ZINC001250462778 967889349 /nfs/dbraw/zinc/88/93/49/967889349.db2.gz JUWFPASVBIZRNR-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC)[C@@H]2C1 ZINC001084135269 968354769 /nfs/dbraw/zinc/35/47/69/968354769.db2.gz OAPITCYCUYJMAL-GHMZBOCLSA-N 1 2 242.750 1.682 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC)[C@@H]2C1 ZINC001084135269 968354776 /nfs/dbraw/zinc/35/47/76/968354776.db2.gz OAPITCYCUYJMAL-GHMZBOCLSA-N 1 2 242.750 1.682 20 30 BDEDLO N#Cc1cc(Nc2cccn3cc[nH+]c23)ccn1 ZINC001206594399 968408480 /nfs/dbraw/zinc/40/84/80/968408480.db2.gz ORTGYDNIMADUQR-UHFFFAOYSA-N 1 2 235.250 1.766 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001251976040 968417301 /nfs/dbraw/zinc/41/73/01/968417301.db2.gz HYTXQOQNCBFKRO-QMMMGPOBSA-N 1 2 213.668 1.313 20 30 BDEDLO C[C@@H](C(=O)N1CCC[C@H](C#N)C1)n1cc[nH+]c1 ZINC001119711392 968459216 /nfs/dbraw/zinc/45/92/16/968459216.db2.gz KGVJQADNTLBJBW-WDEREUQCSA-N 1 2 232.287 1.206 20 30 BDEDLO C=CCOC[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252459417 968715926 /nfs/dbraw/zinc/71/59/26/968715926.db2.gz YLFCDNPROXPPFI-LBPRGKRZSA-N 1 2 247.298 1.310 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252567583 968818472 /nfs/dbraw/zinc/81/84/72/968818472.db2.gz AWZLZPXQUAWUTM-LLVKDONJSA-N 1 2 225.292 1.220 20 30 BDEDLO C=C[C@](C)(O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC001252572268 968823261 /nfs/dbraw/zinc/82/32/61/968823261.db2.gz OXTIPSDISCHWMV-LBPRGKRZSA-N 1 2 241.331 1.389 20 30 BDEDLO C=C[C@](C)(O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC001252579561 968833061 /nfs/dbraw/zinc/83/30/61/968833061.db2.gz WOBTYKARJNRMLO-ZDUSSCGKSA-N 1 2 243.347 1.633 20 30 BDEDLO C=CCC[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252593340 968850047 /nfs/dbraw/zinc/85/00/47/968850047.db2.gz GUGMGQQJKBECRU-PWSUYJOCSA-N 1 2 236.315 1.874 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007595 969335755 /nfs/dbraw/zinc/33/57/55/969335755.db2.gz OJJLXNIKEDEZKT-MXWKQRLJSA-N 1 2 223.276 1.420 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007595 969335764 /nfs/dbraw/zinc/33/57/64/969335764.db2.gz OJJLXNIKEDEZKT-MXWKQRLJSA-N 1 2 223.276 1.420 20 30 BDEDLO C=CC[NH+]1CCN(CCCc2cccnc2)CC1 ZINC001209176303 969371953 /nfs/dbraw/zinc/37/19/53/969371953.db2.gz IRTHDRAIMSYIBU-UHFFFAOYSA-N 1 2 245.370 1.818 20 30 BDEDLO N#C[C@H]1CC[C@H]([NH2+][C@H]2CCSC2=O)C1 ZINC001254635642 969752869 /nfs/dbraw/zinc/75/28/69/969752869.db2.gz HKLUMINLPXCUOH-CIUDSAMLSA-N 1 2 210.302 1.300 20 30 BDEDLO C#C[C@](C)(CC)Nc1cc2c(c[nH+]1)CC(=O)N2 ZINC001169693931 969812740 /nfs/dbraw/zinc/81/27/40/969812740.db2.gz ZHFSIDTZLDMNAY-CYBMUJFWSA-N 1 2 229.283 1.790 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]cccc1[Si](C)(C)C ZINC001169779589 969851571 /nfs/dbraw/zinc/85/15/71/969851571.db2.gz NEEAUAODGOZCMR-JTQLQIEISA-N 1 2 236.391 1.586 20 30 BDEDLO Cc1[nH+]cc(Nc2nnccc2C#N)cc1N ZINC001210288757 969857991 /nfs/dbraw/zinc/85/79/91/969857991.db2.gz OPPZPFDBOVDXAX-UHFFFAOYSA-N 1 2 226.243 1.378 20 30 BDEDLO CC1(C#N)C[NH+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001169939037 969884682 /nfs/dbraw/zinc/88/46/82/969884682.db2.gz UAGYLBWIJJLSBE-LLVKDONJSA-N 1 2 236.315 1.518 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001255166330 969982193 /nfs/dbraw/zinc/98/21/93/969982193.db2.gz IVFNOHJXFFXZDG-LLVKDONJSA-N 1 2 239.319 1.453 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCCN(C(=O)OC)CC1 ZINC001255166330 969982199 /nfs/dbraw/zinc/98/21/99/969982199.db2.gz IVFNOHJXFFXZDG-LLVKDONJSA-N 1 2 239.319 1.453 20 30 BDEDLO COc1cc(-n2cnc(C#N)c2N)cc(C)[nH+]1 ZINC001210773790 970024930 /nfs/dbraw/zinc/02/49/30/970024930.db2.gz FKUOEVPZYIRRCA-UHFFFAOYSA-N 1 2 229.243 1.038 20 30 BDEDLO COc1cc(Nc2cnc(C#N)nc2)cc(C)[nH+]1 ZINC001210775217 970026690 /nfs/dbraw/zinc/02/66/90/970026690.db2.gz SZSBCSTUEWEYKP-UHFFFAOYSA-N 1 2 241.254 1.804 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001112661506 970139665 /nfs/dbraw/zinc/13/96/65/970139665.db2.gz AIXLYTZMHQUMHC-WUXMJOGZSA-N 1 2 222.332 1.673 20 30 BDEDLO C#CCCCCC(=O)N1CC[NH+](CC=C)CC1 ZINC001112772825 970174122 /nfs/dbraw/zinc/17/41/22/970174122.db2.gz NREKDHFSRPVXRG-UHFFFAOYSA-N 1 2 234.343 1.510 20 30 BDEDLO CC(C)CCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001170077324 970179149 /nfs/dbraw/zinc/17/91/49/970179149.db2.gz IVZLTPJSRQWMGF-STQMWFEESA-N 1 2 223.364 1.999 20 30 BDEDLO C=C(C)CCC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112904528 970206250 /nfs/dbraw/zinc/20/62/50/970206250.db2.gz XWWUNQJXNZMEPQ-UHFFFAOYSA-N 1 2 234.343 1.510 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170105756 970306573 /nfs/dbraw/zinc/30/65/73/970306573.db2.gz SSPIIQZHUMMZEU-HLTSFMKQSA-N 1 2 217.334 1.236 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255526200 970284612 /nfs/dbraw/zinc/28/46/12/970284612.db2.gz IZOMHWZPSFXYOE-BDAKNGLRSA-N 1 2 247.360 1.005 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CCCO)CC1 ZINC000401138279 970660771 /nfs/dbraw/zinc/66/07/71/970660771.db2.gz LHZBWYDVXVQMHO-GFCCVEGCSA-N 1 2 241.331 1.199 20 30 BDEDLO C=C1O[C@@H](CC)C(=O)C1OCc1c[nH+]cn1C ZINC001222600444 972596254 /nfs/dbraw/zinc/59/62/54/972596254.db2.gz PIEPJEGKIAHLQL-JTQLQIEISA-N 1 2 236.271 1.546 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC001327503223 972598810 /nfs/dbraw/zinc/59/88/10/972598810.db2.gz ALYKYCLLDYYKHQ-JTQLQIEISA-N 1 2 247.298 1.741 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc(O)cn2)C1 ZINC001144252882 972716911 /nfs/dbraw/zinc/71/69/11/972716911.db2.gz BKYWSXKSCYMRAB-UHFFFAOYSA-N 1 2 203.245 1.133 20 30 BDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001171228417 973012827 /nfs/dbraw/zinc/01/28/27/973012827.db2.gz GJNCBFDIMLTZAV-BYCMXARLSA-N 1 2 242.322 1.962 20 30 BDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001171228417 973012838 /nfs/dbraw/zinc/01/28/38/973012838.db2.gz GJNCBFDIMLTZAV-BYCMXARLSA-N 1 2 242.322 1.962 20 30 BDEDLO C[NH+]1CC(OCc2cn3cc(C#N)ccc3n2)C1 ZINC001224037696 973422066 /nfs/dbraw/zinc/42/20/66/973422066.db2.gz VJILJUUCZXVAOX-UHFFFAOYSA-N 1 2 242.282 1.037 20 30 BDEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCOC1=O ZINC001172289738 974555539 /nfs/dbraw/zinc/55/55/39/974555539.db2.gz GYFUZEHCHXDSCC-MFKMUULPSA-N 1 2 244.294 1.394 20 30 BDEDLO Cc1cc(-n2cc[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000721049769 974595175 /nfs/dbraw/zinc/59/51/75/974595175.db2.gz CKOYOZHAUHJAMQ-UHFFFAOYSA-N 1 2 228.211 1.961 20 30 BDEDLO COCC[NH+]1CCN([C@H](C)CCCC#N)CC1 ZINC001172496525 974846138 /nfs/dbraw/zinc/84/61/38/974846138.db2.gz NQEPJHIPUHGPHO-CYBMUJFWSA-N 1 2 239.363 1.333 20 30 BDEDLO CCCCN(O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001332007715 974917402 /nfs/dbraw/zinc/91/74/02/974917402.db2.gz RBNJPEWBORUPDK-UHFFFAOYSA-N 1 2 225.292 1.705 20 30 BDEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC001332136371 974970023 /nfs/dbraw/zinc/97/00/23/974970023.db2.gz OCSREMXANGGJIP-ZDUSSCGKSA-N 1 2 249.314 1.648 20 30 BDEDLO CC(C)c1ocnc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC001332136371 974970030 /nfs/dbraw/zinc/97/00/30/974970030.db2.gz OCSREMXANGGJIP-ZDUSSCGKSA-N 1 2 249.314 1.648 20 30 BDEDLO CC[C@@H]1CC[C@@H]([NH2+][C@@H](CS)C(=O)OC)C1 ZINC001173261298 975113512 /nfs/dbraw/zinc/11/35/12/975113512.db2.gz BOCDWOCSCQARII-BBBLOLIVSA-N 1 2 231.361 1.626 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1ncccn1 ZINC001332698668 975257257 /nfs/dbraw/zinc/25/72/57/975257257.db2.gz PKEMOAZFIIPPHH-LLVKDONJSA-N 1 2 219.288 1.119 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)c1ncccn1 ZINC001332698668 975257264 /nfs/dbraw/zinc/25/72/64/975257264.db2.gz PKEMOAZFIIPPHH-LLVKDONJSA-N 1 2 219.288 1.119 20 30 BDEDLO N#CCC1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001173330862 975281241 /nfs/dbraw/zinc/28/12/41/975281241.db2.gz GJABCJDDEGYXFQ-WXRRBKDZSA-N 1 2 232.331 1.256 20 30 BDEDLO CC[NH+]1CC(Oc2cnc(Cl)c(C#N)c2)C1 ZINC001227744070 975667289 /nfs/dbraw/zinc/66/72/89/975667289.db2.gz FOKDQAJNRNZNKH-UHFFFAOYSA-N 1 2 237.690 1.690 20 30 BDEDLO CC(C)(C(=O)N1CCC[C@H](C#N)C1)c1c[nH+]c[nH]1 ZINC001333642884 975925809 /nfs/dbraw/zinc/92/58/09/975925809.db2.gz CYDCSRYRCNKSHR-SNVBAGLBSA-N 1 2 246.314 1.449 20 30 BDEDLO C#Cc1cc(Nc2cnn(CCC)c2)cc[nH+]1 ZINC001174217217 976409210 /nfs/dbraw/zinc/40/92/10/976409210.db2.gz JIPLQSFTWWRDNO-UHFFFAOYSA-N 1 2 226.283 1.835 20 30 BDEDLO C#CC(C#C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954127 977037116 /nfs/dbraw/zinc/03/71/16/977037116.db2.gz JMEJDZYARKMWJE-UHFFFAOYSA-N 1 2 222.247 1.886 20 30 BDEDLO C=CC[N@@H+](C)Cc1ccnc(OC)c1F ZINC001335488335 977094640 /nfs/dbraw/zinc/09/46/40/977094640.db2.gz DQCJFZLBCQHHCR-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO C=CC[N@H+](C)Cc1ccnc(OC)c1F ZINC001335488335 977094653 /nfs/dbraw/zinc/09/46/53/977094653.db2.gz DQCJFZLBCQHHCR-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO C[C@H]1CCOCC[N@@H+]1Cc1ccncc1C#N ZINC001335674079 977218971 /nfs/dbraw/zinc/21/89/71/977218971.db2.gz OPSFEJRHKSVLEQ-NSHDSACASA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@H]1CCOCC[N@H+]1Cc1ccncc1C#N ZINC001335674079 977218985 /nfs/dbraw/zinc/21/89/85/977218985.db2.gz OPSFEJRHKSVLEQ-NSHDSACASA-N 1 2 231.299 1.564 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230589178 977260800 /nfs/dbraw/zinc/26/08/00/977260800.db2.gz WYWWQCZBAHSGEX-JTQLQIEISA-N 1 2 244.285 1.198 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230589178 977260803 /nfs/dbraw/zinc/26/08/03/977260803.db2.gz WYWWQCZBAHSGEX-JTQLQIEISA-N 1 2 244.285 1.198 20 30 BDEDLO C=C(C)CCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001335956401 977383724 /nfs/dbraw/zinc/38/37/24/977383724.db2.gz INFOFBKNMMCHIP-NSHDSACASA-N 1 2 233.315 1.670 20 30 BDEDLO C#Cc1cc(Nc2cnc3n[nH]cc3c2)cc[nH+]1 ZINC001175400697 977410447 /nfs/dbraw/zinc/41/04/47/977410447.db2.gz HOWDPRWASUHQHM-UHFFFAOYSA-N 1 2 235.250 1.500 20 30 BDEDLO CCn1nnc(C)c1C[NH2+]C[C@H](C#N)CCC#N ZINC001336050155 977456913 /nfs/dbraw/zinc/45/69/13/977456913.db2.gz XOAZEDBFEYWKFS-NSHDSACASA-N 1 2 246.318 1.140 20 30 BDEDLO Cc1nc(C#N)cnc1NC1=CCC[N@@H+](C)C1 ZINC001175575427 977582448 /nfs/dbraw/zinc/58/24/48/977582448.db2.gz UVPCLKSVMGKBRN-UHFFFAOYSA-N 1 2 229.287 1.288 20 30 BDEDLO Cc1nc(C#N)cnc1NC1=CCC[N@H+](C)C1 ZINC001175575427 977582461 /nfs/dbraw/zinc/58/24/61/977582461.db2.gz UVPCLKSVMGKBRN-UHFFFAOYSA-N 1 2 229.287 1.288 20 30 BDEDLO Cc1nc(C#N)cnc1N=C1CCC[N@@H+](C)C1 ZINC001175575427 977582470 /nfs/dbraw/zinc/58/24/70/977582470.db2.gz UVPCLKSVMGKBRN-UHFFFAOYSA-N 1 2 229.287 1.288 20 30 BDEDLO Cc1nc(C#N)cnc1N=C1CCC[N@H+](C)C1 ZINC001175575427 977582481 /nfs/dbraw/zinc/58/24/81/977582481.db2.gz UVPCLKSVMGKBRN-UHFFFAOYSA-N 1 2 229.287 1.288 20 30 BDEDLO C[C@H](CNc1nnccc1C#N)Cn1cc[nH+]c1 ZINC001336474613 977710171 /nfs/dbraw/zinc/71/01/71/977710171.db2.gz YNPUTPMVYYQGMZ-SNVBAGLBSA-N 1 2 242.286 1.293 20 30 BDEDLO C=C(C)C[N@@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001175861282 977793815 /nfs/dbraw/zinc/79/38/15/977793815.db2.gz KJDRBYKVPDFIQD-UHFFFAOYSA-N 1 2 231.299 1.951 20 30 BDEDLO C=C(C)C[N@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001175861282 977793821 /nfs/dbraw/zinc/79/38/21/977793821.db2.gz KJDRBYKVPDFIQD-UHFFFAOYSA-N 1 2 231.299 1.951 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OCC)nc1C ZINC001232314357 978006004 /nfs/dbraw/zinc/00/60/04/978006004.db2.gz PNHMIRTVXPGLSQ-UHFFFAOYSA-N 1 2 242.322 1.857 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc(N)nc2)C1 ZINC001232364641 978042047 /nfs/dbraw/zinc/04/20/47/978042047.db2.gz UNPYBCIVXGPDRN-UHFFFAOYSA-N 1 2 202.261 1.009 20 30 BDEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]1 ZINC001232462977 978101255 /nfs/dbraw/zinc/10/12/55/978101255.db2.gz AXMNBKYOFOIJBK-UOJUARBOSA-N 1 2 230.315 1.985 20 30 BDEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]1 ZINC001232462977 978101267 /nfs/dbraw/zinc/10/12/67/978101267.db2.gz AXMNBKYOFOIJBK-UOJUARBOSA-N 1 2 230.315 1.985 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548606 978171361 /nfs/dbraw/zinc/17/13/61/978171361.db2.gz SZBGWGQVINAXCA-JTQLQIEISA-N 1 2 241.298 1.645 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548606 978171368 /nfs/dbraw/zinc/17/13/68/978171368.db2.gz SZBGWGQVINAXCA-JTQLQIEISA-N 1 2 241.298 1.645 20 30 BDEDLO C=C1CC=C(F)C=C1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176836576 978204377 /nfs/dbraw/zinc/20/43/77/978204377.db2.gz UTLXHJXNTCZICU-UHFFFAOYSA-N 1 2 233.246 1.766 20 30 BDEDLO N#Cc1ccnc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001176872749 978220660 /nfs/dbraw/zinc/22/06/60/978220660.db2.gz OVDQGFXZHSQXNQ-UHFFFAOYSA-N 1 2 241.254 1.179 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232674142 978229465 /nfs/dbraw/zinc/22/94/65/978229465.db2.gz RUCJAUNNFHFAHG-TVQRCGJNSA-N 1 2 232.283 1.076 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232674142 978229473 /nfs/dbraw/zinc/22/94/73/978229473.db2.gz RUCJAUNNFHFAHG-TVQRCGJNSA-N 1 2 232.283 1.076 20 30 BDEDLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674212 978237545 /nfs/dbraw/zinc/23/75/45/978237545.db2.gz SYCLPCCMPYMZMH-MFKMUULPSA-N 1 2 246.310 1.609 20 30 BDEDLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674212 978237555 /nfs/dbraw/zinc/23/75/55/978237555.db2.gz SYCLPCCMPYMZMH-MFKMUULPSA-N 1 2 246.310 1.609 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@H]1CCCOC1 ZINC001232680759 978249370 /nfs/dbraw/zinc/24/93/70/978249370.db2.gz HHFXQBNXTKQVKV-ZDUSSCGKSA-N 1 2 246.310 1.875 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@H]1CCCOC1 ZINC001232680759 978249380 /nfs/dbraw/zinc/24/93/80/978249380.db2.gz HHFXQBNXTKQVKV-ZDUSSCGKSA-N 1 2 246.310 1.875 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(CC(O)C3)C2)s1 ZINC001232841886 978310092 /nfs/dbraw/zinc/31/00/92/978310092.db2.gz DWXNWYZFWDZUSM-UHFFFAOYSA-N 1 2 234.324 1.576 20 30 BDEDLO C=CCC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001337550883 978402281 /nfs/dbraw/zinc/40/22/81/978402281.db2.gz LRECZZILBRUPRN-LBPRGKRZSA-N 1 2 233.315 1.840 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCOCC1 ZINC001233044791 978423937 /nfs/dbraw/zinc/42/39/37/978423937.db2.gz XNLACDAVUJCHSZ-UHFFFAOYSA-N 1 2 205.261 1.109 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CCCOCC1 ZINC001233044791 978423940 /nfs/dbraw/zinc/42/39/40/978423940.db2.gz XNLACDAVUJCHSZ-UHFFFAOYSA-N 1 2 205.261 1.109 20 30 BDEDLO Cc1nc(CC[N@@H+](C)Cc2[nH]ccc2C#N)no1 ZINC001233045145 978425806 /nfs/dbraw/zinc/42/58/06/978425806.db2.gz AZUQIVQHVACWKL-UHFFFAOYSA-N 1 2 245.286 1.252 20 30 BDEDLO Cc1nc(CC[N@H+](C)Cc2[nH]ccc2C#N)no1 ZINC001233045145 978425812 /nfs/dbraw/zinc/42/58/12/978425812.db2.gz AZUQIVQHVACWKL-UHFFFAOYSA-N 1 2 245.286 1.252 20 30 BDEDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046498 978429434 /nfs/dbraw/zinc/42/94/34/978429434.db2.gz BHEZKOJLNSRUJK-LLVKDONJSA-N 1 2 247.298 1.271 20 30 BDEDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046498 978429437 /nfs/dbraw/zinc/42/94/37/978429437.db2.gz BHEZKOJLNSRUJK-LLVKDONJSA-N 1 2 247.298 1.271 20 30 BDEDLO Cc1noc(NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001177990124 978494355 /nfs/dbraw/zinc/49/43/55/978494355.db2.gz HROVICMWHZAUCK-UHFFFAOYSA-N 1 2 245.242 1.149 20 30 BDEDLO Cc1nc(C#N)c(NC(=O)CCc2[nH]cc[nH+]2)o1 ZINC001177992831 978494747 /nfs/dbraw/zinc/49/47/47/978494747.db2.gz GCPMYHUEGORTMD-UHFFFAOYSA-N 1 2 245.242 1.149 20 30 BDEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117715 978506590 /nfs/dbraw/zinc/50/65/90/978506590.db2.gz FHEVSZNJRWKWTQ-DVBBHNHCSA-N 1 2 247.298 1.055 20 30 BDEDLO CCCCN(CC#N)Cc1cccc(N)[nH+]1 ZINC001233372061 978587252 /nfs/dbraw/zinc/58/72/52/978587252.db2.gz VSWZXEJEPPLYSP-UHFFFAOYSA-N 1 2 218.304 1.789 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383403 978591578 /nfs/dbraw/zinc/59/15/78/978591578.db2.gz GKYHSVONDVJUDJ-JTQLQIEISA-N 1 2 232.283 1.485 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383403 978591582 /nfs/dbraw/zinc/59/15/82/978591582.db2.gz GKYHSVONDVJUDJ-JTQLQIEISA-N 1 2 232.283 1.485 20 30 BDEDLO CCOC1C[NH+](Cc2ccc(C#N)cc2O)C1 ZINC001233383720 978592891 /nfs/dbraw/zinc/59/28/91/978592891.db2.gz SZSOHURVZQNPTQ-UHFFFAOYSA-N 1 2 232.283 1.485 20 30 BDEDLO Cc1coc(NC(=O)[C@H]2CCCC[N@H+]2C)c1C#N ZINC001178691622 978610612 /nfs/dbraw/zinc/61/06/12/978610612.db2.gz QHHFFLDTHBDPRK-LLVKDONJSA-N 1 2 247.298 1.883 20 30 BDEDLO Cc1coc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1C#N ZINC001178691622 978610617 /nfs/dbraw/zinc/61/06/17/978610617.db2.gz QHHFFLDTHBDPRK-LLVKDONJSA-N 1 2 247.298 1.883 20 30 BDEDLO C[C@H](C(=O)N(C)[C@@H](C)CC#N)n1cc[nH+]c1 ZINC001338555524 978706281 /nfs/dbraw/zinc/70/62/81/978706281.db2.gz DMCOSTVVBDPNQY-VHSXEESVSA-N 1 2 220.276 1.205 20 30 BDEDLO Cc1cc(C[NH2+][C@@H](C)CC#N)cnc1F ZINC001179479159 978708860 /nfs/dbraw/zinc/70/88/60/978708860.db2.gz KSWSGVLTKDEDPP-VIFPVBQESA-N 1 2 207.252 1.921 20 30 BDEDLO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)CC#N ZINC001179479514 978708889 /nfs/dbraw/zinc/70/88/89/978708889.db2.gz NXKSIFAFHWIIMY-SNVBAGLBSA-N 1 2 234.347 1.937 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cn(C)nc1C1CC1 ZINC001179479451 978709026 /nfs/dbraw/zinc/70/90/26/978709026.db2.gz LZDGEQOKYFVTPN-VIFPVBQESA-N 1 2 218.304 1.689 20 30 BDEDLO C[NH+]1CC(Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233920156 978729320 /nfs/dbraw/zinc/72/93/20/978729320.db2.gz BWQXBHUGYLFLEB-UHFFFAOYSA-N 1 2 222.675 1.904 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235665496 979111414 /nfs/dbraw/zinc/11/14/14/979111414.db2.gz LMLMOHDAECGLQY-CYBMUJFWSA-N 1 2 246.354 1.343 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235665496 979111423 /nfs/dbraw/zinc/11/14/23/979111423.db2.gz LMLMOHDAECGLQY-CYBMUJFWSA-N 1 2 246.354 1.343 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001342693689 979867506 /nfs/dbraw/zinc/86/75/06/979867506.db2.gz UEKMVASOOJRKCE-NWDGAFQWSA-N 1 2 231.299 1.458 20 30 BDEDLO N#Cc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000074673742 980382981 /nfs/dbraw/zinc/38/29/81/980382981.db2.gz QAGQNCGSAYSEAA-UHFFFAOYSA-N 1 2 226.239 1.463 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n(C)c2)CC1 ZINC001188074040 980588938 /nfs/dbraw/zinc/58/89/38/980588938.db2.gz FFLRSXGWUMSFDK-UHFFFAOYSA-N 1 2 247.342 1.277 20 30 BDEDLO C#CCCCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001347507280 981101701 /nfs/dbraw/zinc/10/17/01/981101701.db2.gz SOWMOGZVTUKGAZ-UHFFFAOYSA-N 1 2 246.314 1.336 20 30 BDEDLO C#CCC[N@@H+](C)[C@@H](COC1CCC1)C(=O)OC ZINC001192233816 981137864 /nfs/dbraw/zinc/13/78/64/981137864.db2.gz JQZMVJUYRSWRHX-LBPRGKRZSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCC[N@H+](C)[C@@H](COC1CCC1)C(=O)OC ZINC001192233816 981137867 /nfs/dbraw/zinc/13/78/67/981137867.db2.gz JQZMVJUYRSWRHX-LBPRGKRZSA-N 1 2 239.315 1.052 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccc(OCC#N)cc1 ZINC000078780083 981225054 /nfs/dbraw/zinc/22/50/54/981225054.db2.gz JSVFBCNEYNXCHM-UHFFFAOYSA-N 1 2 242.282 1.935 20 30 BDEDLO C#Cc1ccc(NCC[N@H+]2CCOC[C@H]2C)nc1 ZINC001347981374 981234651 /nfs/dbraw/zinc/23/46/51/981234651.db2.gz RGEWDCQVHMOEOX-GFCCVEGCSA-N 1 2 245.326 1.196 20 30 BDEDLO C#Cc1ccc(NCC[N@@H+]2CCOC[C@H]2C)nc1 ZINC001347981374 981234657 /nfs/dbraw/zinc/23/46/57/981234657.db2.gz RGEWDCQVHMOEOX-GFCCVEGCSA-N 1 2 245.326 1.196 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1noc(C)n1 ZINC001193239971 981279775 /nfs/dbraw/zinc/27/97/75/981279775.db2.gz RSHCVZJNEDXXPW-GHMZBOCLSA-N 1 2 239.319 1.746 20 30 BDEDLO C=CCOC(=O)N1CC[NH+](CC=C)CC1 ZINC001194303923 981637461 /nfs/dbraw/zinc/63/74/61/981637461.db2.gz SJCVWSWQSQRILU-UHFFFAOYSA-N 1 2 210.277 1.113 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001351074959 982197054 /nfs/dbraw/zinc/19/70/54/982197054.db2.gz JGPVNISHAMLKOA-NXEZZACHSA-N 1 2 232.287 1.347 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cc(C#N)ncn1 ZINC001241233969 982387376 /nfs/dbraw/zinc/38/73/76/982387376.db2.gz XSXLZWSPUSJKDN-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO C=C(CC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001352188745 982488914 /nfs/dbraw/zinc/48/89/14/982488914.db2.gz CVAHPYKLEZLOKY-SNVBAGLBSA-N 1 2 219.288 1.280 20 30 BDEDLO C=CCCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001197000579 982508761 /nfs/dbraw/zinc/50/87/61/982508761.db2.gz VBNFRTQKUKUUMU-UHFFFAOYSA-N 1 2 242.338 1.847 20 30 BDEDLO C=CCCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001197000579 982508769 /nfs/dbraw/zinc/50/87/69/982508769.db2.gz VBNFRTQKUKUUMU-UHFFFAOYSA-N 1 2 242.338 1.847 20 30 BDEDLO C=CCNC(=S)Nc1cc[nH+]cc1C ZINC001200284364 982805796 /nfs/dbraw/zinc/80/57/96/982805796.db2.gz LNWMSHLZQYUHPN-UHFFFAOYSA-N 1 2 207.302 1.284 20 30 BDEDLO C=CCNC(=S)NCc1c[nH+]cn1CCF ZINC001200304082 982836193 /nfs/dbraw/zinc/83/61/93/982836193.db2.gz OKBRUIKXTIDMIV-UHFFFAOYSA-N 1 2 242.323 1.003 20 30 BDEDLO N#Cc1cncc(Nc2ccc(N)[nH+]c2)c1 ZINC001201272748 983171286 /nfs/dbraw/zinc/17/12/86/983171286.db2.gz UICIAIDOWBDDQB-UHFFFAOYSA-N 1 2 211.228 1.674 20 30 BDEDLO C#CC[NH+](CC#C)Cc1[nH]nc2c1cccc2C ZINC001137150723 983979463 /nfs/dbraw/zinc/97/94/63/983979463.db2.gz UAVWBMYGRODWAH-UHFFFAOYSA-N 1 2 237.306 1.940 20 30 BDEDLO C=CC[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C(=O)[O-] ZINC001588749649 984067327 /nfs/dbraw/zinc/06/73/27/984067327.db2.gz NZTLGIHSBNONGG-GFCCVEGCSA-N 1 2 249.314 1.267 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cnccc2Cl)CC1 ZINC001137237918 984200554 /nfs/dbraw/zinc/20/05/54/984200554.db2.gz KXCZKBNHGGQZBN-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274030321 984242060 /nfs/dbraw/zinc/24/20/60/984242060.db2.gz JCSHKPLMFRZGEJ-AWEZNQCLSA-N 1 2 247.342 1.543 20 30 BDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274030321 984242074 /nfs/dbraw/zinc/24/20/74/984242074.db2.gz JCSHKPLMFRZGEJ-AWEZNQCLSA-N 1 2 247.342 1.543 20 30 BDEDLO C#C[C@H](CO)[NH2+]Cc1nn(CC)c2ccccc12 ZINC000718144071 984393553 /nfs/dbraw/zinc/39/35/53/984393553.db2.gz PMFYVNSZOZLGLS-LLVKDONJSA-N 1 2 243.310 1.140 20 30 BDEDLO C=C/C(=[NH+]\COC)c1cnc(N2CCCC2)nc1 ZINC001243311628 984824829 /nfs/dbraw/zinc/82/48/29/984824829.db2.gz UWVYEYJCUXYEHI-FOWTUZBSSA-N 1 2 246.314 1.656 20 30 BDEDLO C#CC[N@@H+](Cc1nc(C)no1)C(C)(C)C ZINC000932463696 985015198 /nfs/dbraw/zinc/01/51/98/985015198.db2.gz LOTXSDIMNVLYLF-UHFFFAOYSA-N 1 2 207.277 1.612 20 30 BDEDLO C#CC[N@H+](Cc1nc(C)no1)C(C)(C)C ZINC000932463696 985015210 /nfs/dbraw/zinc/01/52/10/985015210.db2.gz LOTXSDIMNVLYLF-UHFFFAOYSA-N 1 2 207.277 1.612 20 30 BDEDLO Cc1ccc(O)c(C[NH+]2CC(O)(CC#N)C2)c1 ZINC000191918565 985618054 /nfs/dbraw/zinc/61/80/54/985618054.db2.gz NJYUWLJXYCUFQZ-UHFFFAOYSA-N 1 2 232.283 1.161 20 30 BDEDLO COc1cc(C2=C[NH2+]CCC2)ncc1C#N ZINC001243948074 985629883 /nfs/dbraw/zinc/62/98/83/985629883.db2.gz UMZCCGCGSKGJBX-UHFFFAOYSA-N 1 2 215.256 1.686 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001253597359 986221782 /nfs/dbraw/zinc/22/17/82/986221782.db2.gz DQTZOUQDWNIQEQ-GHMZBOCLSA-N 1 2 229.320 1.101 20 30 BDEDLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001038005519 986241898 /nfs/dbraw/zinc/24/18/98/986241898.db2.gz ZLAVGSLGLZPSPL-CQSZACIVSA-N 1 2 243.310 1.269 20 30 BDEDLO CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001038005519 986241912 /nfs/dbraw/zinc/24/19/12/986241912.db2.gz ZLAVGSLGLZPSPL-CQSZACIVSA-N 1 2 243.310 1.269 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]CC(C)(C)C#N)nc1 ZINC001462058979 986271799 /nfs/dbraw/zinc/27/17/99/986271799.db2.gz UHADYOFGPIRQLF-UHFFFAOYSA-N 1 2 247.298 1.508 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ccc(O)c(F)c1F ZINC001462451743 986391742 /nfs/dbraw/zinc/39/17/42/986391742.db2.gz JUKUZJIAYKECEF-MRVPVSSYSA-N 1 2 229.226 1.307 20 30 BDEDLO C#CC1(O)C[NH+](C[C@H](C)c2ccc(C)cc2)C1 ZINC001462638153 986479810 /nfs/dbraw/zinc/47/98/10/986479810.db2.gz QLWUGNNCINIDDE-ZDUSSCGKSA-N 1 2 229.323 1.778 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCCC#N ZINC001464975097 986678657 /nfs/dbraw/zinc/67/86/57/986678657.db2.gz FHMNAGVECGZHRC-UHFFFAOYSA-N 1 2 220.276 1.071 20 30 BDEDLO CC(C)(C#N)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC001465206761 986699996 /nfs/dbraw/zinc/69/99/96/986699996.db2.gz SRHLXJPVUIWACY-UHFFFAOYSA-N 1 2 232.287 1.206 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ncccn3)CC2)C1 ZINC001254650291 986702825 /nfs/dbraw/zinc/70/28/25/986702825.db2.gz UNMXOZOZQZSKMX-GHMZBOCLSA-N 1 2 228.299 1.748 20 30 BDEDLO CCOC(=O)C[N@H+](C1CC1)[C@H]1CC[C@H](C#N)C1 ZINC001254676094 986726012 /nfs/dbraw/zinc/72/60/12/986726012.db2.gz IUYBNRLERUTREM-JQWIXIFHSA-N 1 2 236.315 1.706 20 30 BDEDLO CCOC(=O)C[N@@H+](C1CC1)[C@H]1CC[C@H](C#N)C1 ZINC001254676094 986726017 /nfs/dbraw/zinc/72/60/17/986726017.db2.gz IUYBNRLERUTREM-JQWIXIFHSA-N 1 2 236.315 1.706 20 30 BDEDLO Cc1nc(C#N)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245536715 986916253 /nfs/dbraw/zinc/91/62/53/986916253.db2.gz BEHDYYHPYJHXAV-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO C[C@@H](CC(F)(F)F)N1CC[NH2+]C[C@H]1C#N ZINC001255647107 987044679 /nfs/dbraw/zinc/04/46/79/987044679.db2.gz SGNHHUHFBAESCD-JGVFFNPUSA-N 1 2 221.226 1.125 20 30 BDEDLO Cc1nc(C)c(C[NH2+]CC2(C#N)CCOCC2)o1 ZINC001474296217 987678205 /nfs/dbraw/zinc/67/82/05/987678205.db2.gz DTMGDDZSUJEAEX-UHFFFAOYSA-N 1 2 249.314 1.701 20 30 BDEDLO C=CCONC(=O)NCc1ccn2cc[nH+]c2c1 ZINC001478646317 987881930 /nfs/dbraw/zinc/88/19/30/987881930.db2.gz UBMBARPQIMUUAD-UHFFFAOYSA-N 1 2 246.270 1.251 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CCC2CCC2)CC1 ZINC001480344594 987964071 /nfs/dbraw/zinc/96/40/71/987964071.db2.gz LWLUKGXJLCNXRH-UHFFFAOYSA-N 1 2 248.370 1.734 20 30 BDEDLO CC(C)=CC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001480342853 987964287 /nfs/dbraw/zinc/96/42/87/987964287.db2.gz UDMLZLWHSFRNIQ-LBPRGKRZSA-N 1 2 235.331 1.256 20 30 BDEDLO C=CCn1cnn(C[N@H+](C)CC2CC2)c1=S ZINC001321960443 988063295 /nfs/dbraw/zinc/06/32/95/988063295.db2.gz NMYAUUZHQSHHTQ-UHFFFAOYSA-N 1 2 238.360 1.899 20 30 BDEDLO C=CCn1cnn(C[N@@H+](C)CC2CC2)c1=S ZINC001321960443 988063315 /nfs/dbraw/zinc/06/33/15/988063315.db2.gz NMYAUUZHQSHHTQ-UHFFFAOYSA-N 1 2 238.360 1.899 20 30 BDEDLO C=CC(C)(C)C(=O)NC1C[NH+](CC(=C)C)C1 ZINC001494434254 988144662 /nfs/dbraw/zinc/14/46/62/988144662.db2.gz GWUUQMITNIYXNL-UHFFFAOYSA-N 1 2 222.332 1.575 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001494700592 988174430 /nfs/dbraw/zinc/17/44/30/988174430.db2.gz IZJMKCNAIUVHRF-NJHLSQGMSA-N 1 2 242.750 1.896 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001494700592 988174441 /nfs/dbraw/zinc/17/44/41/988174441.db2.gz IZJMKCNAIUVHRF-NJHLSQGMSA-N 1 2 242.750 1.896 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001323198937 988474850 /nfs/dbraw/zinc/47/48/50/988474850.db2.gz MBYKPQXZNCHVFR-IMDSDMBUSA-N 1 2 241.722 1.089 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001323198937 988474855 /nfs/dbraw/zinc/47/48/55/988474855.db2.gz MBYKPQXZNCHVFR-IMDSDMBUSA-N 1 2 241.722 1.089 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](CC)OC)C1 ZINC001499641150 988553975 /nfs/dbraw/zinc/55/39/75/988553975.db2.gz HHFAHBAHRHWXGC-GFCCVEGCSA-N 1 2 240.347 1.130 20 30 BDEDLO CN1C[C@@H](C[N@@H+]2CCC[C@](C)(C#N)C2)OC1=O ZINC001324266276 988765443 /nfs/dbraw/zinc/76/54/43/988765443.db2.gz JWEZAUSIIUQETQ-CMPLNLGQSA-N 1 2 237.303 1.063 20 30 BDEDLO CN1C[C@@H](C[N@H+]2CCC[C@](C)(C#N)C2)OC1=O ZINC001324266276 988765451 /nfs/dbraw/zinc/76/54/51/988765451.db2.gz JWEZAUSIIUQETQ-CMPLNLGQSA-N 1 2 237.303 1.063 20 30 BDEDLO Cc1c[nH]c(Nc2nnc(C)c(C)c2C#N)[nH+]1 ZINC001515582780 989063987 /nfs/dbraw/zinc/06/39/87/989063987.db2.gz UFUZOVQPVWRNPI-UHFFFAOYSA-N 1 2 228.259 1.740 20 30 BDEDLO C=CCC[C@@H]1CCCN1c1cc(N)nc[nH+]1 ZINC001516127755 989143104 /nfs/dbraw/zinc/14/31/04/989143104.db2.gz UENQSVUEUSAIET-SNVBAGLBSA-N 1 2 218.304 1.994 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc2n1CCC2 ZINC001248824772 989184150 /nfs/dbraw/zinc/18/41/50/989184150.db2.gz BHGBFIDZQKYAPN-UHFFFAOYSA-N 1 2 212.296 1.503 20 30 BDEDLO C=CCNC(=O)CNc1cc(CC)[nH+]c(CC)n1 ZINC001119955031 989504768 /nfs/dbraw/zinc/50/47/68/989504768.db2.gz XYARTWYHBBKFNH-UHFFFAOYSA-N 1 2 248.330 1.316 20 30 BDEDLO C=C(C)CCC(=O)NCc1c[nH+]cn1C ZINC001120762979 989870296 /nfs/dbraw/zinc/87/02/96/989870296.db2.gz QFBDQAMPPLESEA-UHFFFAOYSA-N 1 2 207.277 1.393 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001531286197 990389619 /nfs/dbraw/zinc/38/96/19/990389619.db2.gz REZPPRRBAJYGMQ-SNVBAGLBSA-N 1 2 243.266 1.311 20 30 BDEDLO CC(C)CN(CCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001542371082 990661959 /nfs/dbraw/zinc/66/19/59/990661959.db2.gz QTDQWRJGYFTMGU-UHFFFAOYSA-N 1 2 248.330 1.741 20 30 BDEDLO CC#CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001124127038 990756173 /nfs/dbraw/zinc/75/61/73/990756173.db2.gz XAQXAHOWIQREAU-UHFFFAOYSA-N 1 2 231.299 1.149 20 30 BDEDLO C=C(CC(C)C)C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715355 990781588 /nfs/dbraw/zinc/78/15/88/990781588.db2.gz LRXSHSWPFIEYFH-VXGBXAGGSA-N 1 2 247.342 1.995 20 30 BDEDLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](C#N)CC2)n1 ZINC001138939670 991110778 /nfs/dbraw/zinc/11/07/78/991110778.db2.gz RUNQUIQXSUWZAZ-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1c[nH]c(C[N@H+]2CCC[C@H](C#N)CC2)n1 ZINC001138939670 991110783 /nfs/dbraw/zinc/11/07/83/991110783.db2.gz RUNQUIQXSUWZAZ-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO CCOC(=O)CCC[N@@H+](CCC#N)CCOC ZINC001559578456 991167225 /nfs/dbraw/zinc/16/72/25/991167225.db2.gz MAHJTLSVWIWUGE-UHFFFAOYSA-N 1 2 242.319 1.192 20 30 BDEDLO CCOC(=O)CCC[N@H+](CCC#N)CCOC ZINC001559578456 991167237 /nfs/dbraw/zinc/16/72/37/991167237.db2.gz MAHJTLSVWIWUGE-UHFFFAOYSA-N 1 2 242.319 1.192 20 30 BDEDLO C=CCN1CC[NH+](Cc2cnc(N)s2)CC1 ZINC001139228277 991203648 /nfs/dbraw/zinc/20/36/48/991203648.db2.gz ACXOYZBTIHVTBQ-UHFFFAOYSA-N 1 2 238.360 1.029 20 30 BDEDLO C=CC[NH+]1CCN(Cc2cnc(N)s2)CC1 ZINC001139228277 991203657 /nfs/dbraw/zinc/20/36/57/991203657.db2.gz ACXOYZBTIHVTBQ-UHFFFAOYSA-N 1 2 238.360 1.029 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001139467594 991253829 /nfs/dbraw/zinc/25/38/29/991253829.db2.gz AHDHVNZOHQIHQP-VIFPVBQESA-N 1 2 203.245 1.133 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001139467594 991253833 /nfs/dbraw/zinc/25/38/33/991253833.db2.gz AHDHVNZOHQIHQP-VIFPVBQESA-N 1 2 203.245 1.133 20 30 BDEDLO COC(=O)CC[C@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001258376093 991328350 /nfs/dbraw/zinc/32/83/50/991328350.db2.gz ZKHAFXMJIVEDQG-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)CC[C@H](C)[N@H+]1CCC[C@@H](C#N)C1 ZINC001258376093 991328364 /nfs/dbraw/zinc/32/83/64/991328364.db2.gz ZKHAFXMJIVEDQG-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO Cc1[nH]c([C@@H]2CCCN2C[C@H](O)CC#N)[nH+]c1C ZINC001560136760 991391994 /nfs/dbraw/zinc/39/19/94/991391994.db2.gz CUEWDGVVUNYRCU-NEPJUHHUSA-N 1 2 248.330 1.438 20 30 BDEDLO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)CC#N)[nH]c1C ZINC001560136760 991392001 /nfs/dbraw/zinc/39/20/01/991392001.db2.gz CUEWDGVVUNYRCU-NEPJUHHUSA-N 1 2 248.330 1.438 20 30 BDEDLO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)CC#N)[nH]c1C ZINC001560136760 991392013 /nfs/dbraw/zinc/39/20/13/991392013.db2.gz CUEWDGVVUNYRCU-NEPJUHHUSA-N 1 2 248.330 1.438 20 30 BDEDLO C[N@H+](CCC#N)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139933550 991424210 /nfs/dbraw/zinc/42/42/10/991424210.db2.gz GTSHECCHFOFONX-UHFFFAOYSA-N 1 2 249.705 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139933550 991424216 /nfs/dbraw/zinc/42/42/16/991424216.db2.gz GTSHECCHFOFONX-UHFFFAOYSA-N 1 2 249.705 1.908 20 30 BDEDLO CCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001258500110 991469194 /nfs/dbraw/zinc/46/91/94/991469194.db2.gz XVRICLTXNUNTKT-RYUDHWBXSA-N 1 2 238.331 1.954 20 30 BDEDLO CCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@H](C#N)C1 ZINC001258500110 991469204 /nfs/dbraw/zinc/46/92/04/991469204.db2.gz XVRICLTXNUNTKT-RYUDHWBXSA-N 1 2 238.331 1.954 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2ccncc2O)C1 ZINC001140277363 991587008 /nfs/dbraw/zinc/58/70/08/991587008.db2.gz WURYYLWNEXLNNJ-SNVBAGLBSA-N 1 2 217.272 1.523 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2ccncc2O)C1 ZINC001140277363 991587017 /nfs/dbraw/zinc/58/70/17/991587017.db2.gz WURYYLWNEXLNNJ-SNVBAGLBSA-N 1 2 217.272 1.523 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccncc2O)C1 ZINC001140282360 991604402 /nfs/dbraw/zinc/60/44/02/991604402.db2.gz VJTDBBLZMCHSHP-GFCCVEGCSA-N 1 2 217.272 1.523 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccncc2O)C1 ZINC001140282360 991604407 /nfs/dbraw/zinc/60/44/07/991604407.db2.gz VJTDBBLZMCHSHP-GFCCVEGCSA-N 1 2 217.272 1.523 20 30 BDEDLO N#CC1(C[NH2+]Cc2cccnc2N)CCC1 ZINC001560890481 991640904 /nfs/dbraw/zinc/64/09/04/991640904.db2.gz JUBVLUSHHOVOIG-UHFFFAOYSA-N 1 2 216.288 1.447 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC001140540072 991665733 /nfs/dbraw/zinc/66/57/33/991665733.db2.gz IILLXCMECUUFRH-SNVBAGLBSA-N 1 2 205.236 1.497 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC001140540072 991665736 /nfs/dbraw/zinc/66/57/36/991665736.db2.gz IILLXCMECUUFRH-SNVBAGLBSA-N 1 2 205.236 1.497 20 30 BDEDLO CC1(C)CC(=O)N1C[NH+]1CCC(C#N)CC1 ZINC001318934116 991743134 /nfs/dbraw/zinc/74/31/34/991743134.db2.gz QLXOBXOGTXNFPH-UHFFFAOYSA-N 1 2 221.304 1.190 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC001565502133 991790692 /nfs/dbraw/zinc/79/06/92/991790692.db2.gz CEHOSTPWIPZPSG-UHFFFAOYSA-N 1 2 234.343 1.817 20 30 BDEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC001319159208 991802939 /nfs/dbraw/zinc/80/29/39/991802939.db2.gz BUEVJESAECDECT-SNVBAGLBSA-N 1 2 238.360 1.899 20 30 BDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC001319159208 991802944 /nfs/dbraw/zinc/80/29/44/991802944.db2.gz BUEVJESAECDECT-SNVBAGLBSA-N 1 2 238.360 1.899 20 30 BDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC(C)C)C1 ZINC001319287922 991832223 /nfs/dbraw/zinc/83/22/23/991832223.db2.gz BIQPIMHKGHCNMI-LBPRGKRZSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC(C)C)C1 ZINC001319287922 991832232 /nfs/dbraw/zinc/83/22/32/991832232.db2.gz BIQPIMHKGHCNMI-LBPRGKRZSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CC1(O)C[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001474738663 991851193 /nfs/dbraw/zinc/85/11/93/991851193.db2.gz VWSIQQVYFRASCZ-KGLIPLIRSA-N 1 2 227.307 1.470 20 30 BDEDLO C=CCO[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001320060384 992093348 /nfs/dbraw/zinc/09/33/48/992093348.db2.gz ZAQBUAYVIQXGPF-LBPRGKRZSA-N 1 2 249.314 1.077 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320317928 992169991 /nfs/dbraw/zinc/16/99/91/992169991.db2.gz VOHIJDCDLXEGAF-NXEZZACHSA-N 1 2 220.276 1.108 20 30 BDEDLO C=C[C@H](COC)NC(=O)c1cccc2[nH+]ccn21 ZINC001320442399 992205057 /nfs/dbraw/zinc/20/50/57/992205057.db2.gz OGCXPFGMFPTEIY-SNVBAGLBSA-N 1 2 245.282 1.265 20 30 BDEDLO COCC1C[NH+](C[C@H](C#N)CCC#N)C1 ZINC001262168077 992739550 /nfs/dbraw/zinc/73/95/50/992739550.db2.gz KKVQPNQHYXUNDI-JTQLQIEISA-N 1 2 207.277 1.008 20 30 BDEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001266218255 994060108 /nfs/dbraw/zinc/06/01/08/994060108.db2.gz NPODJWYXJIVKDU-LBPRGKRZSA-N 1 2 240.322 1.196 20 30 BDEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001266218255 994060118 /nfs/dbraw/zinc/06/01/18/994060118.db2.gz NPODJWYXJIVKDU-LBPRGKRZSA-N 1 2 240.322 1.196 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCC1 ZINC001316601942 994098508 /nfs/dbraw/zinc/09/85/08/994098508.db2.gz SGDDDCWRZUSKAB-LBPRGKRZSA-N 1 2 234.343 1.343 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCC1 ZINC001316601942 994098526 /nfs/dbraw/zinc/09/85/26/994098526.db2.gz SGDDDCWRZUSKAB-LBPRGKRZSA-N 1 2 234.343 1.343 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001334408158 994595668 /nfs/dbraw/zinc/59/56/68/994595668.db2.gz LOLNNRCMKFJITG-LLVKDONJSA-N 1 2 247.342 1.774 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C#N)ccn1 ZINC001307826188 995472600 /nfs/dbraw/zinc/47/26/00/995472600.db2.gz XFDVNQGGODLNJG-NSHDSACASA-N 1 2 214.272 1.735 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602099030 349439658 /nfs/dbraw/zinc/43/96/58/349439658.db2.gz VGEGAHKPEAVLAJ-OPRDCNLKSA-N 1 2 232.287 1.178 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602099030 349439663 /nfs/dbraw/zinc/43/96/63/349439663.db2.gz VGEGAHKPEAVLAJ-OPRDCNLKSA-N 1 2 232.287 1.178 20 30 BDEDLO CC(C)C[C@@H](C(=O)NC[C@H](C)C#N)n1cc[nH+]c1 ZINC000602097468 349439709 /nfs/dbraw/zinc/43/97/09/349439709.db2.gz OUBNISGZPKGDDK-NEPJUHHUSA-N 1 2 248.330 1.746 20 30 BDEDLO CC(C)C[C@H](C(=O)NC1(C#N)CC1)n1cc[nH+]c1 ZINC000602103805 349441881 /nfs/dbraw/zinc/44/18/81/349441881.db2.gz PSLZEQIHDDWXLX-LLVKDONJSA-N 1 2 246.314 1.643 20 30 BDEDLO Cc1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000070994823 136210915 /nfs/dbraw/zinc/21/09/15/136210915.db2.gz YQLTWQFMQKTTNN-UHFFFAOYSA-N 1 2 219.288 1.229 20 30 BDEDLO CCc1c[nH]c(CC(=O)N2CC[C@@](C)(C#N)C2)[nH+]1 ZINC000602190890 349470401 /nfs/dbraw/zinc/47/04/01/349470401.db2.gz YZRIAZFTOKSQDN-ZDUSSCGKSA-N 1 2 246.314 1.277 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161727355 349490384 /nfs/dbraw/zinc/49/03/84/349490384.db2.gz ZUZIWVFKYFQAJM-MNOVXSKESA-N 1 2 233.315 1.526 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(C)c1OC ZINC000169280049 136215668 /nfs/dbraw/zinc/21/56/68/136215668.db2.gz YRCBCFOJPBSOKW-JTQLQIEISA-N 1 2 236.319 1.519 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)C2(C#N)CCCCC2)C1 ZINC000334192944 136215761 /nfs/dbraw/zinc/21/57/61/136215761.db2.gz IWKBPARUUJKMDE-UHFFFAOYSA-N 1 2 249.358 1.669 20 30 BDEDLO Cc1noc([C@@H](C)[NH2+]CCC(C)(C)C#N)n1 ZINC000336731869 136218214 /nfs/dbraw/zinc/21/82/14/136218214.db2.gz FKZXMPMBALOYSY-MRVPVSSYSA-N 1 2 222.292 1.969 20 30 BDEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccn(C)n1 ZINC000576339565 365569578 /nfs/dbraw/zinc/56/95/78/365569578.db2.gz CCUJQNTXXKZGBM-WDEREUQCSA-N 1 2 231.303 1.514 20 30 BDEDLO CC[C@@H](C)[C@H]([NH2+]CCCC#N)C(=O)OC ZINC000336756607 136220496 /nfs/dbraw/zinc/22/04/96/136220496.db2.gz IUEGILKWIQOUMS-ZJUUUORDSA-N 1 2 212.293 1.467 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111276435 136221447 /nfs/dbraw/zinc/22/14/47/136221447.db2.gz BJDHUDZAIFIUBN-SRVKXCTJSA-N 1 2 240.347 1.176 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111276435 136221448 /nfs/dbraw/zinc/22/14/48/136221448.db2.gz BJDHUDZAIFIUBN-SRVKXCTJSA-N 1 2 240.347 1.176 20 30 BDEDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)cc(C#N)n1 ZINC000308269207 178179139 /nfs/dbraw/zinc/17/91/39/178179139.db2.gz QSXYAAFJGNLCSA-NSHDSACASA-N 1 2 241.298 1.959 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558863068 398228649 /nfs/dbraw/zinc/22/86/49/398228649.db2.gz IBUBXRNRNUHHSO-UWVGGRQHSA-N 1 2 243.257 1.743 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558863068 398228652 /nfs/dbraw/zinc/22/86/52/398228652.db2.gz IBUBXRNRNUHHSO-UWVGGRQHSA-N 1 2 243.257 1.743 20 30 BDEDLO C=CCCCC[NH+]1CCS(=O)CC1 ZINC000580516729 398238184 /nfs/dbraw/zinc/23/81/84/398238184.db2.gz DETSVNYQQMMKAT-UHFFFAOYSA-N 1 2 201.335 1.407 20 30 BDEDLO C=CCCCCNC(=O)CCc1c[nH+]cn1C ZINC000281467855 398239432 /nfs/dbraw/zinc/23/94/32/398239432.db2.gz FCWPLHLJSXJAJA-UHFFFAOYSA-N 1 2 235.331 1.825 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2cccc(C#N)n2)cn1 ZINC000602433094 349536948 /nfs/dbraw/zinc/53/69/48/349536948.db2.gz QBFKJDOSYXZEJZ-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)n2)cn1 ZINC000602433094 349536953 /nfs/dbraw/zinc/53/69/53/349536953.db2.gz QBFKJDOSYXZEJZ-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO CCC[C@H](C[N@@H+](CCC#N)CCOC)OC ZINC000602465575 349538842 /nfs/dbraw/zinc/53/88/42/349538842.db2.gz PKVBJZFYIBVCEA-GFCCVEGCSA-N 1 2 228.336 1.664 20 30 BDEDLO CCC[C@H](C[N@H+](CCC#N)CCOC)OC ZINC000602465575 349538844 /nfs/dbraw/zinc/53/88/44/349538844.db2.gz PKVBJZFYIBVCEA-GFCCVEGCSA-N 1 2 228.336 1.664 20 30 BDEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCOC1 ZINC000160222288 398258430 /nfs/dbraw/zinc/25/84/30/398258430.db2.gz OGOVBOUGTYBMKN-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCOC1 ZINC000160222288 398258431 /nfs/dbraw/zinc/25/84/31/398258431.db2.gz OGOVBOUGTYBMKN-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(CC)[nH+]cn1 ZINC000649454083 398255840 /nfs/dbraw/zinc/25/58/40/398255840.db2.gz LQAPFCBKJZRMEI-MNOVXSKESA-N 1 2 219.288 1.794 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(F)c1N ZINC000602446453 349546374 /nfs/dbraw/zinc/54/63/74/349546374.db2.gz DHTMHUXCGJNZNM-SECBINFHSA-N 1 2 221.279 1.999 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(F)c1N ZINC000602446453 349546380 /nfs/dbraw/zinc/54/63/80/349546380.db2.gz DHTMHUXCGJNZNM-SECBINFHSA-N 1 2 221.279 1.999 20 30 BDEDLO COC(=O)c1[nH]c(C[N@H+](C)C[C@@H](C)C#N)cc1C ZINC000602448980 349549623 /nfs/dbraw/zinc/54/96/23/349549623.db2.gz XIECCXSHWVDKJE-VIFPVBQESA-N 1 2 249.314 1.701 20 30 BDEDLO COC(=O)c1[nH]c(C[N@@H+](C)C[C@@H](C)C#N)cc1C ZINC000602448980 349549624 /nfs/dbraw/zinc/54/96/24/349549624.db2.gz XIECCXSHWVDKJE-VIFPVBQESA-N 1 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247.298 1.402 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000600167634 342694523 /nfs/dbraw/zinc/69/45/23/342694523.db2.gz QMWHBHKDOQXEJL-CYBMUJFWSA-N 1 2 247.298 1.402 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042518273 342777964 /nfs/dbraw/zinc/77/79/64/342777964.db2.gz HSIXKDYURBJQJL-NEPJUHHUSA-N 1 2 237.347 1.479 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042518273 342777965 /nfs/dbraw/zinc/77/79/65/342777965.db2.gz HSIXKDYURBJQJL-NEPJUHHUSA-N 1 2 237.347 1.479 20 30 BDEDLO CCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042518239 342778062 /nfs/dbraw/zinc/77/80/62/342778062.db2.gz BKOKDSRQKHRKAR-GHMZBOCLSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042518239 342778063 /nfs/dbraw/zinc/77/80/63/342778063.db2.gz BKOKDSRQKHRKAR-GHMZBOCLSA-N 1 2 223.320 1.137 20 30 BDEDLO C=CC[C@H]1CC[C@@]2(C1)NC(=O)C[N@H+]2CCC ZINC000649490873 398287609 /nfs/dbraw/zinc/28/76/09/398287609.db2.gz 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/nfs/dbraw/zinc/79/69/36/349796936.db2.gz XTOCFRGOYNDSPY-VXGBXAGGSA-N 1 2 237.347 1.691 20 30 BDEDLO C[C@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC000216450794 343120265 /nfs/dbraw/zinc/12/02/65/343120265.db2.gz AYTKQVHHSHBJSF-LBPRGKRZSA-N 1 2 218.300 1.783 20 30 BDEDLO C[C@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC000216450794 343120266 /nfs/dbraw/zinc/12/02/66/343120266.db2.gz AYTKQVHHSHBJSF-LBPRGKRZSA-N 1 2 218.300 1.783 20 30 BDEDLO CCN(C(=O)C[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602864583 349797056 /nfs/dbraw/zinc/79/70/56/349797056.db2.gz SCCYCNFDPVPPHI-GFCCVEGCSA-N 1 2 245.326 1.931 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCC=C(C)C)nn1 ZINC000640945896 362088385 /nfs/dbraw/zinc/08/83/85/362088385.db2.gz QYJGZFOBLYRRAW-UHFFFAOYSA-N 1 2 232.331 1.747 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000602865458 349798258 /nfs/dbraw/zinc/79/82/58/349798258.db2.gz VMQRUPFCXLJLDX-SDDRHHMPSA-N 1 2 237.347 1.668 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nccs1 ZINC000602869840 349800642 /nfs/dbraw/zinc/80/06/42/349800642.db2.gz PQWXAHLHYAFMOJ-HTQZYQBOSA-N 1 2 238.316 1.362 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C)on1 ZINC000046444074 343214507 /nfs/dbraw/zinc/21/45/07/343214507.db2.gz YQIMUICFQQTMSG-UHFFFAOYSA-N 1 2 235.287 1.596 20 30 BDEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000339016971 136280034 /nfs/dbraw/zinc/28/00/34/136280034.db2.gz LLCLMGPDVVZESE-CYBMUJFWSA-N 1 2 237.299 1.856 20 30 BDEDLO C=CCOCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000339016971 136280035 /nfs/dbraw/zinc/28/00/35/136280035.db2.gz LLCLMGPDVVZESE-CYBMUJFWSA-N 1 2 237.299 1.856 20 30 BDEDLO CN(C)c1[nH+]cccc1NC(=O)CCCC#N ZINC000291329199 136288262 /nfs/dbraw/zinc/28/82/62/136288262.db2.gz VOQSWNXTFJESKD-UHFFFAOYSA-N 1 2 232.287 1.780 20 30 BDEDLO Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)cc[nH+]1 ZINC000335652478 136305436 /nfs/dbraw/zinc/30/54/36/136305436.db2.gz GJGJXLAUARLRHJ-PELKAZGASA-N 1 2 215.256 1.300 20 30 BDEDLO Cc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc[nH+]1 ZINC000335652479 136305627 /nfs/dbraw/zinc/30/56/27/136305627.db2.gz GJGJXLAUARLRHJ-PRHODGIISA-N 1 2 215.256 1.300 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(CC=C)CC=C ZINC000299206971 343397741 /nfs/dbraw/zinc/39/77/41/343397741.db2.gz HASUWNSYVRWJKH-CQSZACIVSA-N 1 2 244.338 1.144 20 30 BDEDLO N#Cc1cccc([C@H]2C[N@H+](CCCO)CCO2)c1 ZINC000367082518 136331871 /nfs/dbraw/zinc/33/18/71/136331871.db2.gz XMYFSOLCUDVXLG-CQSZACIVSA-N 1 2 246.310 1.314 20 30 BDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCO)CCO2)c1 ZINC000367082518 136331872 /nfs/dbraw/zinc/33/18/72/136331872.db2.gz XMYFSOLCUDVXLG-CQSZACIVSA-N 1 2 246.310 1.314 20 30 BDEDLO N#Cc1c(F)cccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000335719395 136340453 /nfs/dbraw/zinc/34/04/53/136340453.db2.gz HTOWQJBSPGEYIJ-UHFFFAOYSA-N 1 2 244.229 1.350 20 30 BDEDLO Cn1cc(C[N@@H+]2CCn3ccnc3C2)cc1C#N ZINC000335855298 344033304 /nfs/dbraw/zinc/03/33/04/344033304.db2.gz SLHLZUTWSBSPFI-UHFFFAOYSA-N 1 2 241.298 1.109 20 30 BDEDLO Cn1cc(C[N@H+]2CCn3ccnc3C2)cc1C#N ZINC000335855298 344033307 /nfs/dbraw/zinc/03/33/07/344033307.db2.gz SLHLZUTWSBSPFI-UHFFFAOYSA-N 1 2 241.298 1.109 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329016345 136364491 /nfs/dbraw/zinc/36/44/91/136364491.db2.gz KEOWIXBDMIVPOH-NHCYSSNCSA-N 1 2 249.314 1.579 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329397648 136365432 /nfs/dbraw/zinc/36/54/32/136365432.db2.gz WQWIMKKDNYOEGM-GDPRMGEGSA-N 1 2 235.287 1.600 20 30 BDEDLO CC#CCNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367116930 136368056 /nfs/dbraw/zinc/36/80/56/136368056.db2.gz JMKJUMQWHASBMH-YHWZYXNKSA-N 1 2 249.358 1.182 20 30 BDEDLO CC#CCNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367116930 136368057 /nfs/dbraw/zinc/36/80/57/136368057.db2.gz JMKJUMQWHASBMH-YHWZYXNKSA-N 1 2 249.358 1.182 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902221 349816819 /nfs/dbraw/zinc/81/68/19/349816819.db2.gz HKYVCVPEZGYQIR-TZMCWYRMSA-N 1 2 247.342 1.375 20 30 BDEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902221 349816822 /nfs/dbraw/zinc/81/68/22/349816822.db2.gz HKYVCVPEZGYQIR-TZMCWYRMSA-N 1 2 247.342 1.375 20 30 BDEDLO N#CCC1(C[N@@H+]2CCc3nccnc3C2)CC1 ZINC000602901688 349816313 /nfs/dbraw/zinc/81/63/13/349816313.db2.gz DBRHBMYDHFOKDI-UHFFFAOYSA-N 1 2 228.299 1.529 20 30 BDEDLO N#CCC1(C[N@H+]2CCc3nccnc3C2)CC1 ZINC000602901688 349816316 /nfs/dbraw/zinc/81/63/16/349816316.db2.gz DBRHBMYDHFOKDI-UHFFFAOYSA-N 1 2 228.299 1.529 20 30 BDEDLO N#Cc1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000379971372 365769094 /nfs/dbraw/zinc/76/90/94/365769094.db2.gz BJJJSVWQYAQMOT-UHFFFAOYSA-N 1 2 201.229 1.545 20 30 BDEDLO CC1(C)CC[N@H+](CCCC#N)CC[S@]1=O ZINC000321861817 343618765 /nfs/dbraw/zinc/61/87/65/343618765.db2.gz JBSUOUYRKDJWKX-OAHLLOKOSA-N 1 2 228.361 1.523 20 30 BDEDLO CC1(C)CC[N@@H+](CCCC#N)CC[S@]1=O ZINC000321861817 343618767 /nfs/dbraw/zinc/61/87/67/343618767.db2.gz JBSUOUYRKDJWKX-OAHLLOKOSA-N 1 2 228.361 1.523 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CCF)CC1 ZINC000602946464 349818403 /nfs/dbraw/zinc/81/84/03/349818403.db2.gz AFVVSRISSRHTAV-LLVKDONJSA-N 1 2 229.295 1.786 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978412 349843397 /nfs/dbraw/zinc/84/33/97/349843397.db2.gz QFVJOHGTYXANSO-STQMWFEESA-N 1 2 249.358 1.479 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978412 349843400 /nfs/dbraw/zinc/84/34/00/349843400.db2.gz QFVJOHGTYXANSO-STQMWFEESA-N 1 2 249.358 1.479 20 30 BDEDLO C=C[C@H]([NH2+]CCC1(OC)CCC1)C(=O)OC ZINC000380140276 343683125 /nfs/dbraw/zinc/68/31/25/343683125.db2.gz PWZOJBPHAWCTOC-JTQLQIEISA-N 1 2 227.304 1.263 20 30 BDEDLO Cn1nccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980325 349844823 /nfs/dbraw/zinc/84/48/23/349844823.db2.gz OUFOFMBHGLQGRB-CMPLNLGQSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1nccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980325 349844827 /nfs/dbraw/zinc/84/48/27/349844827.db2.gz OUFOFMBHGLQGRB-CMPLNLGQSA-N 1 2 218.304 1.544 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)CC1(C#N)CC1 ZINC000590308593 346964564 /nfs/dbraw/zinc/96/45/64/346964564.db2.gz ITGGQUHFPHGVRN-UHFFFAOYSA-N 1 2 246.314 1.425 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000334643142 343896125 /nfs/dbraw/zinc/89/61/25/343896125.db2.gz FHSAYQCRJIFCHD-CYBMUJFWSA-N 1 2 234.274 1.729 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000334643142 343896126 /nfs/dbraw/zinc/89/61/26/343896126.db2.gz FHSAYQCRJIFCHD-CYBMUJFWSA-N 1 2 234.274 1.729 20 30 BDEDLO Cc1cc(Cn2cc(CCC#N)nn2)cc[nH+]1 ZINC000603236285 349893242 /nfs/dbraw/zinc/89/32/42/349893242.db2.gz WHHOLBVNWIBCHJ-UHFFFAOYSA-N 1 2 227.271 1.486 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cc(C(=O)OC)no1 ZINC000024547908 347016295 /nfs/dbraw/zinc/01/62/95/347016295.db2.gz IILQPCBOTWVPEM-UHFFFAOYSA-N 1 2 236.271 1.635 20 30 BDEDLO COc1cc[nH+]c(Cn2cc(CCC#N)nn2)c1 ZINC000603217338 349896400 /nfs/dbraw/zinc/89/64/00/349896400.db2.gz DNRCFARJBUKPAS-UHFFFAOYSA-N 1 2 243.270 1.186 20 30 BDEDLO N#Cc1cccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000602665417 343949785 /nfs/dbraw/zinc/94/97/85/343949785.db2.gz BHFAGVKABXIDCI-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO COCC[N@@H+](CCC#N)CCOC(C)C ZINC000070846087 343956471 /nfs/dbraw/zinc/95/64/71/343956471.db2.gz HWARTYFZZJMLKX-UHFFFAOYSA-N 1 2 214.309 1.273 20 30 BDEDLO COCC[N@H+](CCC#N)CCOC(C)C ZINC000070846087 343956474 /nfs/dbraw/zinc/95/64/74/343956474.db2.gz HWARTYFZZJMLKX-UHFFFAOYSA-N 1 2 214.309 1.273 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCC(F)(F)F)nn1 ZINC000641231639 362287730 /nfs/dbraw/zinc/28/77/30/362287730.db2.gz UPLUFAQBENJXBU-UHFFFAOYSA-N 1 2 246.236 1.343 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000335915463 344085384 /nfs/dbraw/zinc/08/53/84/344085384.db2.gz DRKVXAKMPRFDEP-CYBMUJFWSA-N 1 2 234.274 1.465 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000335915463 344085386 /nfs/dbraw/zinc/08/53/86/344085386.db2.gz DRKVXAKMPRFDEP-CYBMUJFWSA-N 1 2 234.274 1.465 20 30 BDEDLO Cn1c[nH+]cc1CCNC(=O)CCCCCC#N ZINC000588674902 344172342 /nfs/dbraw/zinc/17/23/42/344172342.db2.gz FWEQDHMIJMLHMX-UHFFFAOYSA-N 1 2 248.330 1.553 20 30 BDEDLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H](C#N)C1 ZINC000584302255 344438984 /nfs/dbraw/zinc/43/89/84/344438984.db2.gz YIYTXUFJJBREJQ-JGVFFNPUSA-N 1 2 233.275 1.172 20 30 BDEDLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC000584302255 344438986 /nfs/dbraw/zinc/43/89/86/344438986.db2.gz YIYTXUFJJBREJQ-JGVFFNPUSA-N 1 2 233.275 1.172 20 30 BDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCCO ZINC000111997826 344610885 /nfs/dbraw/zinc/61/08/85/344610885.db2.gz BNSBKLCNFDBUQW-UHFFFAOYSA-N 1 2 228.679 1.164 20 30 BDEDLO C=CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000380191421 344711636 /nfs/dbraw/zinc/71/16/36/344711636.db2.gz PDCJHZHHUFEFHL-UHFFFAOYSA-N 1 2 203.289 1.684 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](O)c1cccc(F)c1 ZINC000076185454 344799011 /nfs/dbraw/zinc/79/90/11/344799011.db2.gz BSSDIUIVJGXXOD-AWEZNQCLSA-N 1 2 231.270 1.428 20 30 BDEDLO C=C(Cl)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000077791234 344827288 /nfs/dbraw/zinc/82/72/88/344827288.db2.gz OKCCXWHZNOQIAZ-VIFPVBQESA-N 1 2 242.710 1.323 20 30 BDEDLO N#Cc1c(N)n[nH]c1CCCNc1cccc[nH+]1 ZINC000078427148 344867609 /nfs/dbraw/zinc/86/76/09/344867609.db2.gz CHUWJWZSNZYKIR-UHFFFAOYSA-N 1 2 242.286 1.303 20 30 BDEDLO N#CCN[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000120157135 344879889 /nfs/dbraw/zinc/87/98/89/344879889.db2.gz WJMZUJLCADHFAH-AWEZNQCLSA-N 1 2 245.326 1.173 20 30 BDEDLO N#CCC[N@@H+](CCCO)Cc1ccco1 ZINC000078666763 344894023 /nfs/dbraw/zinc/89/40/23/344894023.db2.gz RABCPYWPCQCRTG-UHFFFAOYSA-N 1 2 208.261 1.378 20 30 BDEDLO N#CCC[N@H+](CCCO)Cc1ccco1 ZINC000078666763 344894026 /nfs/dbraw/zinc/89/40/26/344894026.db2.gz RABCPYWPCQCRTG-UHFFFAOYSA-N 1 2 208.261 1.378 20 30 BDEDLO Cc1cc(N(C)Cc2cc[nH]n2)c(C#N)c[nH+]1 ZINC000425233545 192084759 /nfs/dbraw/zinc/08/47/59/192084759.db2.gz VWYRVOIYLMBKST-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO COCC[C@@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000425267954 192086789 /nfs/dbraw/zinc/08/67/89/192086789.db2.gz NCYLCBIMFUDLJD-SNVBAGLBSA-N 1 2 233.315 1.768 20 30 BDEDLO COCC[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000425267953 192086807 /nfs/dbraw/zinc/08/68/07/192086807.db2.gz NCYLCBIMFUDLJD-JTQLQIEISA-N 1 2 233.315 1.768 20 30 BDEDLO COC(=O)c1cccc(C[N@H+](C)CCC#N)c1 ZINC000133266987 345367531 /nfs/dbraw/zinc/36/75/31/345367531.db2.gz RGYRBLCXYJYFOE-UHFFFAOYSA-N 1 2 232.283 1.819 20 30 BDEDLO COC(=O)c1cccc(C[N@@H+](C)CCC#N)c1 ZINC000133266987 345367534 /nfs/dbraw/zinc/36/75/34/345367534.db2.gz RGYRBLCXYJYFOE-UHFFFAOYSA-N 1 2 232.283 1.819 20 30 BDEDLO Cc1ccccc1CO[NH+]=C(N)CCO ZINC000136070296 345473405 /nfs/dbraw/zinc/47/34/05/345473405.db2.gz RVUASFFQJZZJBG-UHFFFAOYSA-N 1 2 208.261 1.166 20 30 BDEDLO N#CCC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000603370467 349935051 /nfs/dbraw/zinc/93/50/51/349935051.db2.gz NHWBUFAJVRIGBB-UHFFFAOYSA-N 1 2 217.272 1.680 20 30 BDEDLO CC#CCCn1cc[nH+]c1CN1CCOCC1 ZINC000641727412 362646991 /nfs/dbraw/zinc/64/69/91/362646991.db2.gz YSJKGPXCTSIGKU-UHFFFAOYSA-N 1 2 233.315 1.129 20 30 BDEDLO C[N@@H+](CCC#N)CCOCC(F)(F)C(F)F ZINC000189525580 259384699 /nfs/dbraw/zinc/38/46/99/259384699.db2.gz IETQEEYCGXJTLG-UHFFFAOYSA-N 1 2 242.216 1.749 20 30 BDEDLO C[N@H+](CCC#N)CCOCC(F)(F)C(F)F ZINC000189525580 259384701 /nfs/dbraw/zinc/38/47/01/259384701.db2.gz IETQEEYCGXJTLG-UHFFFAOYSA-N 1 2 242.216 1.749 20 30 BDEDLO C[N@@H+]1CCO[C@H](CSc2ncccc2C#N)C1 ZINC000400749561 345733370 /nfs/dbraw/zinc/73/33/70/345733370.db2.gz CDPALTRQYOAHPS-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@H](CSc2ncccc2C#N)C1 ZINC000400749561 345733371 /nfs/dbraw/zinc/73/33/71/345733371.db2.gz CDPALTRQYOAHPS-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@@H+]1CCO[C@@H](CSc2ccc(C#N)cn2)C1 ZINC000400769368 345784696 /nfs/dbraw/zinc/78/46/96/345784696.db2.gz LDUISWQZCYPXCS-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@@H](CSc2ccc(C#N)cn2)C1 ZINC000400769368 345784699 /nfs/dbraw/zinc/78/46/99/345784699.db2.gz LDUISWQZCYPXCS-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO C=CCN(CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635848167 346089624 /nfs/dbraw/zinc/08/96/24/346089624.db2.gz MEJYECBMKPEUDV-GHMZBOCLSA-N 1 2 249.314 1.174 20 30 BDEDLO C=CCN(CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635848167 346089626 /nfs/dbraw/zinc/08/96/26/346089626.db2.gz MEJYECBMKPEUDV-GHMZBOCLSA-N 1 2 249.314 1.174 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000586779340 346100140 /nfs/dbraw/zinc/10/01/40/346100140.db2.gz XZAZGWJUHJUXBH-CENBSLRLSA-N 1 2 245.388 1.155 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000586779340 346100142 /nfs/dbraw/zinc/10/01/42/346100142.db2.gz XZAZGWJUHJUXBH-CENBSLRLSA-N 1 2 245.388 1.155 20 30 BDEDLO C=CCCCC[N@@H+](CCO)CC(F)F ZINC000574898493 346165526 /nfs/dbraw/zinc/16/55/26/346165526.db2.gz OPNBBAIANXIYQC-UHFFFAOYSA-N 1 2 207.264 1.902 20 30 BDEDLO C=CCCCC[N@H+](CCO)CC(F)F ZINC000574898493 346165529 /nfs/dbraw/zinc/16/55/29/346165529.db2.gz OPNBBAIANXIYQC-UHFFFAOYSA-N 1 2 207.264 1.902 20 30 BDEDLO Cc1cc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)nc[nH+]1 ZINC000603405395 349944807 /nfs/dbraw/zinc/94/48/07/349944807.db2.gz HZHGOEWHLDOUPX-TXEJJXNPSA-N 1 2 245.330 1.208 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(C#N)CC(C)C1 ZINC000380026195 365813759 /nfs/dbraw/zinc/81/37/59/365813759.db2.gz UYEYKFHGRVEULG-UHFFFAOYSA-N 1 2 232.287 1.274 20 30 BDEDLO CCN(CC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000580081580 346515065 /nfs/dbraw/zinc/51/50/65/346515065.db2.gz VIRBBYNTWOIYBM-JTQLQIEISA-N 1 2 220.276 1.206 20 30 BDEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](COC)C(=O)OC ZINC000336764210 259392034 /nfs/dbraw/zinc/39/20/34/259392034.db2.gz MZHJVRZQCVFMRS-DCAQKATOSA-N 1 2 229.320 1.365 20 30 BDEDLO CC(C)(CNc1cnc(C#N)cn1)n1cc[nH+]c1 ZINC000601197449 346615412 /nfs/dbraw/zinc/61/54/12/346615412.db2.gz AWHXIPVYQVJKNT-UHFFFAOYSA-N 1 2 242.286 1.392 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)OC ZINC000301017677 346567678 /nfs/dbraw/zinc/56/76/78/346567678.db2.gz IKTIXBWNZLELJH-OUAUKWLOSA-N 1 2 211.305 1.882 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCCC#N ZINC000588283138 346659637 /nfs/dbraw/zinc/65/96/37/346659637.db2.gz XQDYCLVBMLUYRN-LBPRGKRZSA-N 1 2 248.330 1.862 20 30 BDEDLO N#CCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000589703001 346728584 /nfs/dbraw/zinc/72/85/84/346728584.db2.gz RGQJFDZGPLHLOX-UHFFFAOYSA-N 1 2 228.255 1.967 20 30 BDEDLO Cc1ccoc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000589827892 346741614 /nfs/dbraw/zinc/74/16/14/346741614.db2.gz ZWWPKCYLIGGQRL-LBPRGKRZSA-N 1 2 235.287 1.162 20 30 BDEDLO C=C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000577189484 365869230 /nfs/dbraw/zinc/86/92/30/365869230.db2.gz WUJOTZBVEYEVOG-NSHDSACASA-N 1 2 233.315 1.767 20 30 BDEDLO C=C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000577189484 365869237 /nfs/dbraw/zinc/86/92/37/365869237.db2.gz WUJOTZBVEYEVOG-NSHDSACASA-N 1 2 233.315 1.767 20 30 BDEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309659564 347131616 /nfs/dbraw/zinc/13/16/16/347131616.db2.gz QWJLTJAKHXLINB-INTQDDNPSA-N 1 2 222.288 1.220 20 30 BDEDLO CCc1cccc(CO[NH+]=C(N)CCO)c1 ZINC000189357667 347302054 /nfs/dbraw/zinc/30/20/54/347302054.db2.gz UQCKZKMHAFBRBL-UHFFFAOYSA-N 1 2 222.288 1.420 20 30 BDEDLO C[C@H](C#N)CN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000364296633 347364746 /nfs/dbraw/zinc/36/47/46/347364746.db2.gz DBSASSPRTMGDIK-LLVKDONJSA-N 1 2 241.298 1.863 20 30 BDEDLO C=C[C@H]([NH2+]CCC1(COC)CCC1)C(=O)OC ZINC000591374462 347649682 /nfs/dbraw/zinc/64/96/82/347649682.db2.gz HTVSOZFGRGIXFZ-NSHDSACASA-N 1 2 241.331 1.510 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C(=O)OC ZINC000591376458 347650746 /nfs/dbraw/zinc/65/07/46/347650746.db2.gz JOFNRONSFAYICE-MNOVXSKESA-N 1 2 241.331 1.509 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000591376166 347650759 /nfs/dbraw/zinc/65/07/59/347650759.db2.gz LZPUNUOLNRNVLL-GARJFASQSA-N 1 2 209.289 1.350 20 30 BDEDLO CC[C@H](C)C[C@H](CO)Nc1cc(C)[nH+]cc1C#N ZINC000591981668 347720593 /nfs/dbraw/zinc/72/05/93/347720593.db2.gz MTLQXMHGUJATJG-GXFFZTMASA-N 1 2 247.342 1.893 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000592441767 347778952 /nfs/dbraw/zinc/77/89/52/347778952.db2.gz JDELOQPHZPLZGG-VHSXEESVSA-N 1 2 223.320 1.278 20 30 BDEDLO CC[N@H+](CCOC)Cc1ccncc1C#N ZINC000592061267 347725904 /nfs/dbraw/zinc/72/59/04/347725904.db2.gz CZEUSJXALRWBAB-UHFFFAOYSA-N 1 2 219.288 1.422 20 30 BDEDLO CC[N@@H+](CCOC)Cc1ccncc1C#N ZINC000592061267 347725906 /nfs/dbraw/zinc/72/59/06/347725906.db2.gz CZEUSJXALRWBAB-UHFFFAOYSA-N 1 2 219.288 1.422 20 30 BDEDLO CC(C)n1ccnc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150704 347741601 /nfs/dbraw/zinc/74/16/01/347741601.db2.gz HNTVWOOIUILKOY-CYBMUJFWSA-N 1 2 248.330 1.314 20 30 BDEDLO CC(C)n1ccnc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150704 347741604 /nfs/dbraw/zinc/74/16/04/347741604.db2.gz HNTVWOOIUILKOY-CYBMUJFWSA-N 1 2 248.330 1.314 20 30 BDEDLO CC(C)n1cc[nH+]c1CN1CC[C@](O)(CC#N)C1 ZINC000592150704 347741607 /nfs/dbraw/zinc/74/16/07/347741607.db2.gz HNTVWOOIUILKOY-CYBMUJFWSA-N 1 2 248.330 1.314 20 30 BDEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150431 347742169 /nfs/dbraw/zinc/74/21/69/347742169.db2.gz CLKDTPSBMJUFBQ-JQWIXIFHSA-N 1 2 235.287 1.395 20 30 BDEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150431 347742173 /nfs/dbraw/zinc/74/21/73/347742173.db2.gz CLKDTPSBMJUFBQ-JQWIXIFHSA-N 1 2 235.287 1.395 20 30 BDEDLO CC#CC[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000592158064 347745929 /nfs/dbraw/zinc/74/59/29/347745929.db2.gz CCXMZVHJQTZRER-UHFFFAOYSA-N 1 2 243.306 1.855 20 30 BDEDLO CC#CC[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000592158064 347745931 /nfs/dbraw/zinc/74/59/31/347745931.db2.gz CCXMZVHJQTZRER-UHFFFAOYSA-N 1 2 243.306 1.855 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](CC)CCSC ZINC000592202582 347754515 /nfs/dbraw/zinc/75/45/15/347754515.db2.gz ONWVDVMWMKUHMM-SECBINFHSA-N 1 2 217.334 1.399 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)CCSC ZINC000592202582 347754517 /nfs/dbraw/zinc/75/45/17/347754517.db2.gz ONWVDVMWMKUHMM-SECBINFHSA-N 1 2 217.334 1.399 20 30 BDEDLO CC#CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000577292193 365920116 /nfs/dbraw/zinc/92/01/16/365920116.db2.gz FRDDXDGCLXEBNK-SNVBAGLBSA-N 1 2 219.288 1.070 20 30 BDEDLO CC#CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000577292193 365920118 /nfs/dbraw/zinc/92/01/18/365920118.db2.gz FRDDXDGCLXEBNK-SNVBAGLBSA-N 1 2 219.288 1.070 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OCC ZINC000592514836 347793241 /nfs/dbraw/zinc/79/32/41/347793241.db2.gz CSOXSNATXPGUMH-UTUOFQBUSA-N 1 2 241.331 1.651 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCc2cn[nH]c2C1 ZINC000593019636 347845892 /nfs/dbraw/zinc/84/58/92/347845892.db2.gz WWACGILZQVUHBI-VIFPVBQESA-N 1 2 204.277 1.460 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCc2cn[nH]c2C1 ZINC000593019636 347845893 /nfs/dbraw/zinc/84/58/93/347845893.db2.gz WWACGILZQVUHBI-VIFPVBQESA-N 1 2 204.277 1.460 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c[nH]nc2C1 ZINC000593019636 347845897 /nfs/dbraw/zinc/84/58/97/347845897.db2.gz WWACGILZQVUHBI-VIFPVBQESA-N 1 2 204.277 1.460 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCc2c[nH]nc2C1 ZINC000593019636 347845898 /nfs/dbraw/zinc/84/58/98/347845898.db2.gz WWACGILZQVUHBI-VIFPVBQESA-N 1 2 204.277 1.460 20 30 BDEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)[C@@H](C)CO1 ZINC000593061701 347848900 /nfs/dbraw/zinc/84/89/00/347848900.db2.gz LOHBRGQYMYKFCI-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](C)CO1 ZINC000593061701 347848904 /nfs/dbraw/zinc/84/89/04/347848904.db2.gz LOHBRGQYMYKFCI-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCCC1 ZINC000493514073 347865445 /nfs/dbraw/zinc/86/54/45/347865445.db2.gz BMCOAOWMMLMNOS-PLNGDYQASA-N 1 2 244.298 1.766 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCC1CC1 ZINC000593153019 347865983 /nfs/dbraw/zinc/86/59/83/347865983.db2.gz DORXBPBDHLQPLX-CYBMUJFWSA-N 1 2 237.347 1.527 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC12CCC2 ZINC000593154223 347865994 /nfs/dbraw/zinc/86/59/94/347865994.db2.gz ASGVCNNHBVFBQK-PWSUYJOCSA-N 1 2 235.331 1.137 20 30 BDEDLO CCC(C)(C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154295 347866068 /nfs/dbraw/zinc/86/60/68/347866068.db2.gz FSVQECMXMQQMMC-ZDUSSCGKSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000593441992 347891393 /nfs/dbraw/zinc/89/13/93/347891393.db2.gz MPFVPJUZZQADJE-JTQLQIEISA-N 1 2 246.314 1.665 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000593448305 347892501 /nfs/dbraw/zinc/89/25/01/347892501.db2.gz PQMUTLZCFIIZNN-MNOVXSKESA-N 1 2 246.314 1.665 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000593599044 347918670 /nfs/dbraw/zinc/91/86/70/347918670.db2.gz PTIDSQAJYFLLJE-JTQLQIEISA-N 1 2 232.287 1.084 20 30 BDEDLO CC[C@@H](C#N)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000594082771 348000478 /nfs/dbraw/zinc/00/04/78/348000478.db2.gz CLZQRLOVRZOVQC-MNOVXSKESA-N 1 2 234.303 1.595 20 30 BDEDLO CC[C@@H](C#N)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000594087887 348004542 /nfs/dbraw/zinc/00/45/42/348004542.db2.gz DYQSISHZDAKNRJ-NSHDSACASA-N 1 2 234.303 1.424 20 30 BDEDLO CC[C@H](C#N)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000594095466 348011158 /nfs/dbraw/zinc/01/11/58/348011158.db2.gz WFCLKXUCKYLXNO-LLVKDONJSA-N 1 2 242.282 1.708 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000594537957 348065798 /nfs/dbraw/zinc/06/57/98/348065798.db2.gz OMEOCZJISPJOMS-GXFFZTMASA-N 1 2 243.310 1.832 20 30 BDEDLO COc1c(C)[nH+]cnc1NCC(C)(C)CC#N ZINC000594585246 348077031 /nfs/dbraw/zinc/07/70/31/348077031.db2.gz YJGHCDNSOVJZPL-UHFFFAOYSA-N 1 2 234.303 1.567 20 30 BDEDLO C[C@@H](NC(=O)CC1(C#N)CC1)c1[nH]cc[nH+]1 ZINC000594421294 348050383 /nfs/dbraw/zinc/05/03/83/348050383.db2.gz SAYNNLFYBCPIEY-MRVPVSSYSA-N 1 2 218.260 1.281 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(CC3(F)F)C2)o1 ZINC000594608531 348081583 /nfs/dbraw/zinc/08/15/83/348081583.db2.gz APUHVUYJCSBRAU-UHFFFAOYSA-N 1 2 224.210 1.992 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594612566 348083369 /nfs/dbraw/zinc/08/33/69/348083369.db2.gz ONJSZWFQXKKFRS-SNVBAGLBSA-N 1 2 218.304 1.611 20 30 BDEDLO CCN1CC[C@H]([N@H+](CC)C[C@@H](C)C#N)C1=O ZINC000595298022 348217130 /nfs/dbraw/zinc/21/71/30/348217130.db2.gz MZSDSJIAKGWNOE-QWRGUYRKSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[C@H]([N@@H+](CC)C[C@@H](C)C#N)C1=O ZINC000595298022 348217132 /nfs/dbraw/zinc/21/71/32/348217132.db2.gz MZSDSJIAKGWNOE-QWRGUYRKSA-N 1 2 223.320 1.089 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H](OC)C1CCC1 ZINC000595335096 348220722 /nfs/dbraw/zinc/22/07/22/348220722.db2.gz VEFCCIJVDGLSHU-CYBMUJFWSA-N 1 2 240.347 1.664 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H](OC)C1CCC1 ZINC000595335096 348220723 /nfs/dbraw/zinc/22/07/23/348220723.db2.gz VEFCCIJVDGLSHU-CYBMUJFWSA-N 1 2 240.347 1.664 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccnc(C#N)c1 ZINC000595399697 348238492 /nfs/dbraw/zinc/23/84/92/348238492.db2.gz PTYRRZWJOIVBEX-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO COC[C@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000595464167 348257192 /nfs/dbraw/zinc/25/71/92/348257192.db2.gz DRMSUHPFDSDSOX-NWDGAFQWSA-N 1 2 240.347 1.662 20 30 BDEDLO COC[C@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000595464167 348257194 /nfs/dbraw/zinc/25/71/94/348257194.db2.gz DRMSUHPFDSDSOX-NWDGAFQWSA-N 1 2 240.347 1.662 20 30 BDEDLO C[N@H+](CCC#N)[C@@H](CO)Cc1ccccc1 ZINC000595595731 348293775 /nfs/dbraw/zinc/29/37/75/348293775.db2.gz LNRIMBJAJLTORO-CYBMUJFWSA-N 1 2 218.300 1.435 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H](CO)Cc1ccccc1 ZINC000595595731 348293780 /nfs/dbraw/zinc/29/37/80/348293780.db2.gz LNRIMBJAJLTORO-CYBMUJFWSA-N 1 2 218.300 1.435 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)C1(CO)CCC1 ZINC000419287767 192117603 /nfs/dbraw/zinc/11/76/03/192117603.db2.gz PFJZCHVYSMDCMQ-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)C1(CO)CCC1 ZINC000419287767 192117604 /nfs/dbraw/zinc/11/76/04/192117604.db2.gz PFJZCHVYSMDCMQ-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO C[C@H](C#N)N(CCCn1cc[nH+]c1)C1CC1 ZINC000595712305 348324623 /nfs/dbraw/zinc/32/46/23/348324623.db2.gz JNBQQFREDICKPQ-LLVKDONJSA-N 1 2 218.304 1.650 20 30 BDEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CCC#N ZINC000595815800 348343673 /nfs/dbraw/zinc/34/36/73/348343673.db2.gz SRSJAYIMYHECHP-NSHDSACASA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@H]1COC2(CCCC2)C[N@H+]1CCC#N ZINC000595815800 348343675 /nfs/dbraw/zinc/34/36/75/348343675.db2.gz SRSJAYIMYHECHP-NSHDSACASA-N 1 2 208.305 1.934 20 30 BDEDLO CCCNC(=O)CCC[N@H+](CC)[C@@H](C)C#N ZINC000595817125 348344295 /nfs/dbraw/zinc/34/42/95/348344295.db2.gz GRQIGAHCMDMLJM-NSHDSACASA-N 1 2 225.336 1.527 20 30 BDEDLO CCCNC(=O)CCC[N@@H+](CC)[C@@H](C)C#N ZINC000595817125 348344296 /nfs/dbraw/zinc/34/42/96/348344296.db2.gz GRQIGAHCMDMLJM-NSHDSACASA-N 1 2 225.336 1.527 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000595834557 348368198 /nfs/dbraw/zinc/36/81/98/348368198.db2.gz PTARGNHBNPVKBS-UHFFFAOYSA-N 1 2 235.312 1.237 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000595834557 348368203 /nfs/dbraw/zinc/36/82/03/348368203.db2.gz PTARGNHBNPVKBS-UHFFFAOYSA-N 1 2 235.312 1.237 20 30 BDEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835344 348369291 /nfs/dbraw/zinc/36/92/91/348369291.db2.gz QSVIZMKLAFYWPD-OCCSQVGLSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835344 348369294 /nfs/dbraw/zinc/36/92/94/348369294.db2.gz QSVIZMKLAFYWPD-OCCSQVGLSA-N 1 2 249.358 1.623 20 30 BDEDLO CC(C)N1CCC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595838496 348371605 /nfs/dbraw/zinc/37/16/05/348371605.db2.gz VMWWAQOKGNUOLP-GXTWGEPZSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)N1CCC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595838496 348371608 /nfs/dbraw/zinc/37/16/08/348371608.db2.gz VMWWAQOKGNUOLP-GXTWGEPZSA-N 1 2 249.358 1.621 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccn2)C1 ZINC000595838693 348372663 /nfs/dbraw/zinc/37/26/63/348372663.db2.gz CXMNJEJJZXWMLY-LBPRGKRZSA-N 1 2 201.273 1.817 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccn2)C1 ZINC000595838693 348372664 /nfs/dbraw/zinc/37/26/64/348372664.db2.gz CXMNJEJJZXWMLY-LBPRGKRZSA-N 1 2 201.273 1.817 20 30 BDEDLO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595839262 348372690 /nfs/dbraw/zinc/37/26/90/348372690.db2.gz HLBYLEWBLPNAEW-LLVKDONJSA-N 1 2 204.277 1.156 20 30 BDEDLO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595839262 348372691 /nfs/dbraw/zinc/37/26/91/348372691.db2.gz HLBYLEWBLPNAEW-LLVKDONJSA-N 1 2 204.277 1.156 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCOCC(F)(F)F)C1 ZINC000595839818 348373287 /nfs/dbraw/zinc/37/32/87/348373287.db2.gz LWHZYMCJPQYCSV-SECBINFHSA-N 1 2 236.237 1.801 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000595839818 348373290 /nfs/dbraw/zinc/37/32/90/348373290.db2.gz LWHZYMCJPQYCSV-SECBINFHSA-N 1 2 236.237 1.801 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCn2ccccc2=O)C1 ZINC000595840184 348373640 /nfs/dbraw/zinc/37/36/40/348373640.db2.gz OLHGWKRWGIDKBS-CYBMUJFWSA-N 1 2 231.299 1.084 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCn2ccccc2=O)C1 ZINC000595840184 348373643 /nfs/dbraw/zinc/37/36/43/348373643.db2.gz OLHGWKRWGIDKBS-CYBMUJFWSA-N 1 2 231.299 1.084 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841111 348375228 /nfs/dbraw/zinc/37/52/28/348375228.db2.gz IAJYUHMBORMDFK-GFCCVEGCSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1nn(C)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841111 348375230 /nfs/dbraw/zinc/37/52/30/348375230.db2.gz IAJYUHMBORMDFK-GFCCVEGCSA-N 1 2 218.304 1.464 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCc2cscn2)C1 ZINC000595841063 348375241 /nfs/dbraw/zinc/37/52/41/348375241.db2.gz GTKYDDXLDLCZNK-LLVKDONJSA-N 1 2 221.329 1.921 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCc2cscn2)C1 ZINC000595841063 348375243 /nfs/dbraw/zinc/37/52/43/348375243.db2.gz GTKYDDXLDLCZNK-LLVKDONJSA-N 1 2 221.329 1.921 20 30 BDEDLO CCn1cc[nH+]c1CN1CC[C@](C)(C#N)C1 ZINC000595841014 348375424 /nfs/dbraw/zinc/37/54/24/348375424.db2.gz TYIDPLSKHUZFLO-GFCCVEGCSA-N 1 2 218.304 1.639 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595840877 348375496 /nfs/dbraw/zinc/37/54/96/348375496.db2.gz GPNUEYFSLUMWQD-UWVGGRQHSA-N 1 2 230.258 1.646 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595840877 348375500 /nfs/dbraw/zinc/37/55/00/348375500.db2.gz GPNUEYFSLUMWQD-UWVGGRQHSA-N 1 2 230.258 1.646 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cncs2)C1 ZINC000595841738 348377340 /nfs/dbraw/zinc/37/73/40/348377340.db2.gz NSKLSLDDVDJBHS-JTQLQIEISA-N 1 2 207.302 1.879 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cncs2)C1 ZINC000595841738 348377343 /nfs/dbraw/zinc/37/73/43/348377343.db2.gz NSKLSLDDVDJBHS-JTQLQIEISA-N 1 2 207.302 1.879 20 30 BDEDLO C[C@H](c1cnccn1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842610 348378777 /nfs/dbraw/zinc/37/87/77/348378777.db2.gz FYRCZVAKFBBWQT-ZYHUDNBSSA-N 1 2 216.288 1.773 20 30 BDEDLO C[C@H](c1cnccn1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842610 348378780 /nfs/dbraw/zinc/37/87/80/348378780.db2.gz FYRCZVAKFBBWQT-ZYHUDNBSSA-N 1 2 216.288 1.773 20 30 BDEDLO CC(C)(C)N1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595842620 348378982 /nfs/dbraw/zinc/37/89/82/348378982.db2.gz UCECTWBGPWFXMQ-BXUZGUMPSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)(C)N1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595842620 348378985 /nfs/dbraw/zinc/37/89/85/348378985.db2.gz UCECTWBGPWFXMQ-BXUZGUMPSA-N 1 2 249.358 1.621 20 30 BDEDLO Cc1cncc(CC[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595842665 348379125 /nfs/dbraw/zinc/37/91/25/348379125.db2.gz UPEYQOUXDLHRMA-ZDUSSCGKSA-N 1 2 230.315 1.563 20 30 BDEDLO Cc1cncc(CC[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595842665 348379127 /nfs/dbraw/zinc/37/91/27/348379127.db2.gz UPEYQOUXDLHRMA-ZDUSSCGKSA-N 1 2 230.315 1.563 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCc2nccnc2C1 ZINC000595865266 348384636 /nfs/dbraw/zinc/38/46/36/348384636.db2.gz VOJIGOYTSYMZDB-JTQLQIEISA-N 1 2 216.288 1.527 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCc2nccnc2C1 ZINC000595865266 348384639 /nfs/dbraw/zinc/38/46/39/348384639.db2.gz VOJIGOYTSYMZDB-JTQLQIEISA-N 1 2 216.288 1.527 20 30 BDEDLO CC[N@H+](CCCc1nc(C)no1)[C@@H](C)C#N ZINC000595818405 348358529 /nfs/dbraw/zinc/35/85/29/348358529.db2.gz VOVJYWRLQNUDMJ-VIFPVBQESA-N 1 2 222.292 1.545 20 30 BDEDLO CC[N@@H+](CCCc1nc(C)no1)[C@@H](C)C#N ZINC000595818405 348358533 /nfs/dbraw/zinc/35/85/33/348358533.db2.gz VOVJYWRLQNUDMJ-VIFPVBQESA-N 1 2 222.292 1.545 20 30 BDEDLO CC[N@H+](CCCC(=O)N(C)C)[C@@H](C)C#N ZINC000595820665 348362655 /nfs/dbraw/zinc/36/26/55/348362655.db2.gz OSBVWYAQJDGORC-JTQLQIEISA-N 1 2 211.309 1.089 20 30 BDEDLO CC[N@@H+](CCCC(=O)N(C)C)[C@@H](C)C#N ZINC000595820665 348362658 /nfs/dbraw/zinc/36/26/58/348362658.db2.gz OSBVWYAQJDGORC-JTQLQIEISA-N 1 2 211.309 1.089 20 30 BDEDLO C=CCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000263962020 187397129 /nfs/dbraw/zinc/39/71/29/187397129.db2.gz DXNXGLJYWCGEHA-UHFFFAOYSA-N 1 2 248.326 1.890 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(CC)no1 ZINC000266948000 187398394 /nfs/dbraw/zinc/39/83/94/187398394.db2.gz SXMINJBQZXIXIC-SECBINFHSA-N 1 2 207.277 1.648 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nc(CC)no1 ZINC000266948000 187398396 /nfs/dbraw/zinc/39/83/96/187398396.db2.gz SXMINJBQZXIXIC-SECBINFHSA-N 1 2 207.277 1.648 20 30 BDEDLO Cc1nsc(N(C)Cc2c[nH+]c[nH]2)c1C#N ZINC000596307460 348492820 /nfs/dbraw/zinc/49/28/20/348492820.db2.gz XDBOLDHXWQMFGB-UHFFFAOYSA-N 1 2 233.300 1.683 20 30 BDEDLO Cc1nsc(N(C)Cc2c[nH]c[nH+]2)c1C#N ZINC000596307460 348492822 /nfs/dbraw/zinc/49/28/22/348492822.db2.gz XDBOLDHXWQMFGB-UHFFFAOYSA-N 1 2 233.300 1.683 20 30 BDEDLO C=CCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000267108287 187398747 /nfs/dbraw/zinc/39/87/47/187398747.db2.gz QNRGINUSOALEKR-LLVKDONJSA-N 1 2 221.304 1.744 20 30 BDEDLO C#CCCCSc1[nH+]cnc2c1cnn2C ZINC000270858492 187399220 /nfs/dbraw/zinc/39/92/20/187399220.db2.gz JEVOPJOFLIUZPU-UHFFFAOYSA-N 1 2 232.312 1.869 20 30 BDEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1[nH+]ccn1C ZINC000596488259 348559831 /nfs/dbraw/zinc/55/98/31/348559831.db2.gz PFTWJTYJCXWAJN-MRVPVSSYSA-N 1 2 243.270 1.111 20 30 BDEDLO C#CC[N@@H+](Cc1c(C)noc1C)C1CC1 ZINC000269970281 187399308 /nfs/dbraw/zinc/39/93/08/187399308.db2.gz VRIULNMRYJQFQI-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO C#CC[N@H+](Cc1c(C)noc1C)C1CC1 ZINC000269970281 187399309 /nfs/dbraw/zinc/39/93/09/187399309.db2.gz VRIULNMRYJQFQI-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597035253 348645995 /nfs/dbraw/zinc/64/59/95/348645995.db2.gz BURSSLQDDSMYJN-GIPNMCIBSA-N 1 2 246.314 1.332 20 30 BDEDLO CC[C@H](CC#N)NCc1c[nH+]c2n1CCC2 ZINC000597085354 348656305 /nfs/dbraw/zinc/65/63/05/348656305.db2.gz DKPYZGCYIWHXEF-SNVBAGLBSA-N 1 2 218.304 1.611 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc2n1CCC2 ZINC000597085354 348656307 /nfs/dbraw/zinc/65/63/07/348656307.db2.gz DKPYZGCYIWHXEF-SNVBAGLBSA-N 1 2 218.304 1.611 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000597121131 348663786 /nfs/dbraw/zinc/66/37/86/348663786.db2.gz MSOSMYDONHFIKD-UHFFFAOYSA-N 1 2 230.315 1.686 20 30 BDEDLO COCc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)no1 ZINC000597175744 348669644 /nfs/dbraw/zinc/66/96/44/348669644.db2.gz DKXZBZIWCWCDSU-LLVKDONJSA-N 1 2 249.314 1.947 20 30 BDEDLO COCc1cc(C[N@H+]2CCC[C@H](CC#N)C2)no1 ZINC000597175744 348669645 /nfs/dbraw/zinc/66/96/45/348669645.db2.gz DKXZBZIWCWCDSU-LLVKDONJSA-N 1 2 249.314 1.947 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn2c1CCC2 ZINC000596993016 348644296 /nfs/dbraw/zinc/64/42/96/348644296.db2.gz XFLFFEZTIQIDER-SNVBAGLBSA-N 1 2 218.304 1.421 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn2c1CCC2 ZINC000596993016 348644297 /nfs/dbraw/zinc/64/42/97/348644297.db2.gz XFLFFEZTIQIDER-SNVBAGLBSA-N 1 2 218.304 1.421 20 30 BDEDLO C[C@H](CC#N)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000597282824 348712372 /nfs/dbraw/zinc/71/23/72/348712372.db2.gz SUJSDFVPCUEMSO-WDEREUQCSA-N 1 2 234.303 1.185 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000597434358 348735995 /nfs/dbraw/zinc/73/59/95/348735995.db2.gz AVFAXYIZZPGULH-GHMZBOCLSA-N 1 2 246.314 1.286 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(CO)o2)C1 ZINC000597229222 348696992 /nfs/dbraw/zinc/69/69/92/348696992.db2.gz JVJXBTAVQHWOTD-GFCCVEGCSA-N 1 2 220.272 1.507 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000597229222 348696994 /nfs/dbraw/zinc/69/69/94/348696994.db2.gz JVJXBTAVQHWOTD-GFCCVEGCSA-N 1 2 220.272 1.507 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000597229557 348697641 /nfs/dbraw/zinc/69/76/41/348697641.db2.gz MJAYGZCLTCKDBB-GFCCVEGCSA-N 1 2 249.339 1.583 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000597229557 348697644 /nfs/dbraw/zinc/69/76/44/348697644.db2.gz MJAYGZCLTCKDBB-GFCCVEGCSA-N 1 2 249.339 1.583 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)CC#N ZINC000597734817 348800080 /nfs/dbraw/zinc/80/00/80/348800080.db2.gz DQBSGKPNCJCSPU-VHSXEESVSA-N 1 2 234.303 1.630 20 30 BDEDLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](C)C#N ZINC000598350657 348937151 /nfs/dbraw/zinc/93/71/51/348937151.db2.gz RSQJWMIKDBMLFD-NXEZZACHSA-N 1 2 234.303 1.349 20 30 BDEDLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](C)C#N ZINC000598350657 348937154 /nfs/dbraw/zinc/93/71/54/348937154.db2.gz RSQJWMIKDBMLFD-NXEZZACHSA-N 1 2 234.303 1.349 20 30 BDEDLO CC[C@H](CC#N)NCc1[nH+]ccn1CC ZINC000054183918 348910278 /nfs/dbraw/zinc/91/02/78/348910278.db2.gz BXVSEUIACHOJCN-SNVBAGLBSA-N 1 2 206.293 1.685 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1nccn1CC ZINC000054183918 348910282 /nfs/dbraw/zinc/91/02/82/348910282.db2.gz BXVSEUIACHOJCN-SNVBAGLBSA-N 1 2 206.293 1.685 20 30 BDEDLO C[C@@H](NC(=O)C1(C#N)CCCC1)c1[nH+]ccn1C ZINC000598460966 348977403 /nfs/dbraw/zinc/97/74/03/348977403.db2.gz YDNJSHYLFFNQQM-SNVBAGLBSA-N 1 2 246.314 1.681 20 30 BDEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1[nH+]ccn1C ZINC000598466005 348979055 /nfs/dbraw/zinc/97/90/55/348979055.db2.gz VXLUKPZWRZIBDC-QMMMGPOBSA-N 1 2 243.270 1.111 20 30 BDEDLO C=C[C@H]([NH2+][C@H](C)CCC1CC1)C(=O)OC ZINC000308899803 349056346 /nfs/dbraw/zinc/05/63/46/349056346.db2.gz BBUDOCDDZLPDHN-KOLCDFICSA-N 1 2 211.305 1.882 20 30 BDEDLO CC(C)(C(=O)NCC1(C#N)CCC1)c1c[nH]c[nH+]1 ZINC000598741262 349036704 /nfs/dbraw/zinc/03/67/04/349036704.db2.gz XHZNPDVUCIWGOH-UHFFFAOYSA-N 1 2 246.314 1.497 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598948535 349070620 /nfs/dbraw/zinc/07/06/20/349070620.db2.gz RDSLMRVWKMCZOJ-JTQLQIEISA-N 1 2 246.314 1.254 20 30 BDEDLO C[N@@H+](CCC#N)CCOC1CCOCC1 ZINC000599305930 349143101 /nfs/dbraw/zinc/14/31/01/349143101.db2.gz CSFCWXUNHBUEFU-UHFFFAOYSA-N 1 2 212.293 1.027 20 30 BDEDLO C[N@H+](CCC#N)CCOC1CCOCC1 ZINC000599305930 349143104 /nfs/dbraw/zinc/14/31/04/349143104.db2.gz CSFCWXUNHBUEFU-UHFFFAOYSA-N 1 2 212.293 1.027 20 30 BDEDLO N#CCCOCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536800 349212708 /nfs/dbraw/zinc/21/27/08/349212708.db2.gz SPMMIOYCURDCQV-UHFFFAOYSA-N 1 2 232.283 1.638 20 30 BDEDLO N#CCCOCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536800 349212710 /nfs/dbraw/zinc/21/27/10/349212710.db2.gz SPMMIOYCURDCQV-UHFFFAOYSA-N 1 2 232.283 1.638 20 30 BDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000599574770 349225584 /nfs/dbraw/zinc/22/55/84/349225584.db2.gz XCECRPCIUUHZLD-NSHDSACASA-N 1 2 246.310 1.860 20 30 BDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000599574770 349225586 /nfs/dbraw/zinc/22/55/86/349225586.db2.gz XCECRPCIUUHZLD-NSHDSACASA-N 1 2 246.310 1.860 20 30 BDEDLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[C@H]1C#N ZINC000601823815 349354874 /nfs/dbraw/zinc/35/48/74/349354874.db2.gz XKPZUFUCFMQMSQ-JQWIXIFHSA-N 1 2 246.314 1.493 20 30 BDEDLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[C@H]1C#N ZINC000601823815 349354876 /nfs/dbraw/zinc/35/48/76/349354876.db2.gz XKPZUFUCFMQMSQ-JQWIXIFHSA-N 1 2 246.314 1.493 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1c[nH+]c(C)cc1C ZINC000396994669 350028831 /nfs/dbraw/zinc/02/88/31/350028831.db2.gz WHHOSSAOHTUZOX-NSHDSACASA-N 1 2 231.299 1.864 20 30 BDEDLO CC(C)n1cnnc1C[N@H+](C)CCCC#N ZINC000292474348 535107943 /nfs/dbraw/zinc/10/79/43/535107943.db2.gz RQCAOJCKJOBUSG-UHFFFAOYSA-N 1 2 221.308 1.595 20 30 BDEDLO CC(C)n1cnnc1C[N@@H+](C)CCCC#N ZINC000292474348 535107948 /nfs/dbraw/zinc/10/79/48/535107948.db2.gz RQCAOJCKJOBUSG-UHFFFAOYSA-N 1 2 221.308 1.595 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000313816609 350166204 /nfs/dbraw/zinc/16/62/04/350166204.db2.gz UHAYYVXZMWHIAR-AGIUHOORSA-N 1 2 239.363 1.187 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000313816609 350166207 /nfs/dbraw/zinc/16/62/07/350166207.db2.gz UHAYYVXZMWHIAR-AGIUHOORSA-N 1 2 239.363 1.187 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C#N)c1 ZINC000336340056 180119531 /nfs/dbraw/zinc/11/95/31/180119531.db2.gz IFPBRYSRDZCLGK-UHFFFAOYSA-N 1 2 240.266 1.771 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC#Cc1ccccc1 ZINC000365256059 350190619 /nfs/dbraw/zinc/19/06/19/350190619.db2.gz LMVYNDUXMZVBFV-CYBMUJFWSA-N 1 2 242.322 1.249 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC#Cc1ccccc1 ZINC000365256059 350190621 /nfs/dbraw/zinc/19/06/21/350190621.db2.gz LMVYNDUXMZVBFV-CYBMUJFWSA-N 1 2 242.322 1.249 20 30 BDEDLO C=CC[C@H](CC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637118713 350205670 /nfs/dbraw/zinc/20/56/70/350205670.db2.gz AVRLWWXBLAXZOH-WDEREUQCSA-N 1 2 248.330 1.462 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000365583625 350355246 /nfs/dbraw/zinc/35/52/46/350355246.db2.gz ABQPXZCZUDJSKS-SNVBAGLBSA-N 1 2 244.298 1.008 20 30 BDEDLO CCN(Cc1[nH+]ccn1CC)C[C@H](C)C#N ZINC000336663694 350424590 /nfs/dbraw/zinc/42/45/90/350424590.db2.gz CZUSYZCVHHBZJV-LLVKDONJSA-N 1 2 220.320 1.885 20 30 BDEDLO N#CCC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000336684748 350446088 /nfs/dbraw/zinc/44/60/88/350446088.db2.gz UQTMHATVTXZCAW-GFCCVEGCSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1COCCO1)C1CC1 ZINC000336698389 350452680 /nfs/dbraw/zinc/45/26/80/350452680.db2.gz IPKKMYRRVRMBBR-CMPLNLGQSA-N 1 2 224.304 1.026 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1COCCO1)C1CC1 ZINC000336698389 350452683 /nfs/dbraw/zinc/45/26/83/350452683.db2.gz IPKKMYRRVRMBBR-CMPLNLGQSA-N 1 2 224.304 1.026 20 30 BDEDLO C[C@H](O)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000336792707 350509848 /nfs/dbraw/zinc/50/98/48/350509848.db2.gz TUQFCYXQJHXGQS-ZDUSSCGKSA-N 1 2 247.342 1.958 20 30 BDEDLO C[C@H](O)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000336792707 350509852 /nfs/dbraw/zinc/50/98/52/350509852.db2.gz TUQFCYXQJHXGQS-ZDUSSCGKSA-N 1 2 247.342 1.958 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000577486351 365965339 /nfs/dbraw/zinc/96/53/39/365965339.db2.gz UWRJKPMNOSNCND-ZDUSSCGKSA-N 1 2 243.310 1.184 20 30 BDEDLO C=CCN1CC[C@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000577486351 365965344 /nfs/dbraw/zinc/96/53/44/365965344.db2.gz UWRJKPMNOSNCND-ZDUSSCGKSA-N 1 2 243.310 1.184 20 30 BDEDLO CC#CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000119593609 358462585 /nfs/dbraw/zinc/46/25/85/358462585.db2.gz AOJFWIDWAUEZPE-OAHLLOKOSA-N 1 2 228.339 1.998 20 30 BDEDLO CC#CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000119593609 358462588 /nfs/dbraw/zinc/46/25/88/358462588.db2.gz AOJFWIDWAUEZPE-OAHLLOKOSA-N 1 2 228.339 1.998 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnccc1OC ZINC000571893657 323500071 /nfs/dbraw/zinc/50/00/71/323500071.db2.gz RFZWTSZTJCQIPB-LLVKDONJSA-N 1 2 219.288 1.872 20 30 BDEDLO Cc1cnn(C)c1C[NH2+]CC1(C#N)CC1 ZINC000389978356 351542762 /nfs/dbraw/zinc/54/27/62/351542762.db2.gz GZFQURNLKHRGLX-UHFFFAOYSA-N 1 2 204.277 1.122 20 30 BDEDLO COCc1cccc(CO[NH+]=C(N)CCO)c1 ZINC000275548414 351601623 /nfs/dbraw/zinc/60/16/23/351601623.db2.gz UMDBJGHIHGITQP-UHFFFAOYSA-N 1 2 238.287 1.004 20 30 BDEDLO Cn1c[nH+]cc1CN1CCCC(C)(C)[C@H]1C#N ZINC000277935172 351738271 /nfs/dbraw/zinc/73/82/71/351738271.db2.gz YYMKINHRELBXCY-GFCCVEGCSA-N 1 2 232.331 1.934 20 30 BDEDLO C=CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000281496323 351894610 /nfs/dbraw/zinc/89/46/10/351894610.db2.gz FRVCCOWOHPZRAO-UHFFFAOYSA-N 1 2 221.304 1.387 20 30 BDEDLO Cc1nc(CO[NH+]=C(N)[C@H]2CCCO2)cs1 ZINC000284623693 352001571 /nfs/dbraw/zinc/00/15/71/352001571.db2.gz ZSHROBSXGUTIPR-SECBINFHSA-N 1 2 241.316 1.419 20 30 BDEDLO Cc1cc[nH+]cc1CCCN1CCO[C@@H](C#N)C1 ZINC000289252790 352178075 /nfs/dbraw/zinc/17/80/75/352178075.db2.gz CLIWHLYCKKACRJ-AWEZNQCLSA-N 1 2 245.326 1.547 20 30 BDEDLO CN(CCC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290736402 352238735 /nfs/dbraw/zinc/23/87/35/352238735.db2.gz PSMXCKMFLWJDKC-UHFFFAOYSA-N 1 2 243.270 1.712 20 30 BDEDLO C#CCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290929267 352249813 /nfs/dbraw/zinc/24/98/13/352249813.db2.gz MCPKIWZTJORWDZ-UHFFFAOYSA-N 1 2 217.272 1.029 20 30 BDEDLO C=C[C@H]([NH2+]CC(C1CC1)C1CC1)C(=O)OC ZINC000300940590 363177348 /nfs/dbraw/zinc/17/73/48/363177348.db2.gz DNXZPDSTYQKLDT-LBPRGKRZSA-N 1 2 223.316 1.740 20 30 BDEDLO C=CCN(CCC#N)Cc1[nH+]ccn1C ZINC000292077143 352300737 /nfs/dbraw/zinc/30/07/37/352300737.db2.gz DFHLTOHCHCHIKT-UHFFFAOYSA-N 1 2 204.277 1.322 20 30 BDEDLO C=CCN(CCC#N)Cc1cc(OC)cc[nH+]1 ZINC000292198556 352306806 /nfs/dbraw/zinc/30/68/06/352306806.db2.gz NQQZLXIDFNVOGM-UHFFFAOYSA-N 1 2 231.299 1.992 20 30 BDEDLO CCc1ccc([C@H](CO)[NH2+]CCC#N)cc1 ZINC000411510124 191189999 /nfs/dbraw/zinc/18/99/99/191189999.db2.gz NJUBKKSKNCDHTJ-ZDUSSCGKSA-N 1 2 218.300 1.786 20 30 BDEDLO C=CCOC[C@@H]([NH2+]C(CC)CC)C(=O)OC ZINC000336741827 352387546 /nfs/dbraw/zinc/38/75/46/352387546.db2.gz RKVPKNKGMMUPFJ-LLVKDONJSA-N 1 2 229.320 1.509 20 30 BDEDLO C[C@@H](C#N)C[N@H+](Cc1ccnc(N)c1)C1CC1 ZINC000411405572 191183969 /nfs/dbraw/zinc/18/39/69/191183969.db2.gz ZRTUTZADJNTBCG-JTQLQIEISA-N 1 2 230.315 1.618 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](Cc1ccnc(N)c1)C1CC1 ZINC000411405572 191183971 /nfs/dbraw/zinc/18/39/71/191183971.db2.gz ZRTUTZADJNTBCG-JTQLQIEISA-N 1 2 230.315 1.618 20 30 BDEDLO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)C[C@H](C)[S@@]1=O ZINC000411716427 191205992 /nfs/dbraw/zinc/20/59/92/191205992.db2.gz FYMWHBCTYGGTRE-JBBSTSQOSA-N 1 2 242.388 1.910 20 30 BDEDLO CC[C@@H]1C[N@H+]([C@H](C)CCC#N)C[C@H](C)[S@@]1=O ZINC000411716427 191205995 /nfs/dbraw/zinc/20/59/95/191205995.db2.gz FYMWHBCTYGGTRE-JBBSTSQOSA-N 1 2 242.388 1.910 20 30 BDEDLO C=CC[N@H+](Cc1ncnn1CC)C1CC1 ZINC000278959129 166348784 /nfs/dbraw/zinc/34/87/84/166348784.db2.gz ZWBWPDQHCGXMSO-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CCOC[C@H]([NH2+]C1CC(CC)C1)C(=O)OC ZINC000342857431 352877832 /nfs/dbraw/zinc/87/78/32/352877832.db2.gz LSRKCKAKXJJTFT-MCIGGMRASA-N 1 2 241.331 1.509 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000356088905 188065539 /nfs/dbraw/zinc/06/55/39/188065539.db2.gz DCCRSROKZOQGBV-SNVBAGLBSA-N 1 2 237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000356088905 188065540 /nfs/dbraw/zinc/06/55/40/188065540.db2.gz DCCRSROKZOQGBV-SNVBAGLBSA-N 1 2 237.328 1.362 20 30 BDEDLO C#CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179517376 188081022 /nfs/dbraw/zinc/08/10/22/188081022.db2.gz UIUOSFKNUNEIOX-LLVKDONJSA-N 1 2 230.315 1.495 20 30 BDEDLO C#CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179517376 188081024 /nfs/dbraw/zinc/08/10/24/188081024.db2.gz UIUOSFKNUNEIOX-LLVKDONJSA-N 1 2 230.315 1.495 20 30 BDEDLO C[C@@](O)(CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000329298438 538108912 /nfs/dbraw/zinc/10/89/12/538108912.db2.gz UOFNIVHPQSBTJD-GFCCVEGCSA-N 1 2 237.303 1.460 20 30 BDEDLO C[C@@](O)(CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000329298438 538108913 /nfs/dbraw/zinc/10/89/13/538108913.db2.gz UOFNIVHPQSBTJD-GFCCVEGCSA-N 1 2 237.303 1.460 20 30 BDEDLO N#Cc1cccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000336793851 188083814 /nfs/dbraw/zinc/08/38/14/188083814.db2.gz YPUUQRSFEGLNRZ-UHFFFAOYSA-N 1 2 240.266 1.071 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000271939970 166369837 /nfs/dbraw/zinc/36/98/37/166369837.db2.gz AKPCWORQTOEWMY-QMMMGPOBSA-N 1 2 239.344 1.404 20 30 BDEDLO CC(C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609522117 353163685 /nfs/dbraw/zinc/16/36/85/353163685.db2.gz JUWVMIOWZNWLHZ-UHFFFAOYSA-N 1 2 220.276 1.082 20 30 BDEDLO CC(C)[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000011472202 188104073 /nfs/dbraw/zinc/10/40/73/188104073.db2.gz NORLUGHPCWKGHT-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000011472202 188104074 /nfs/dbraw/zinc/10/40/74/188104074.db2.gz NORLUGHPCWKGHT-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C=CCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000267233800 188088058 /nfs/dbraw/zinc/08/80/58/188088058.db2.gz PUASGNQUCCSWSF-UHFFFAOYSA-N 1 2 207.277 1.691 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000267441375 188088684 /nfs/dbraw/zinc/08/86/84/188088684.db2.gz CHLBTXRMKLKOEB-SSDOTTSWSA-N 1 2 229.629 1.738 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000267441375 188088685 /nfs/dbraw/zinc/08/86/85/188088685.db2.gz CHLBTXRMKLKOEB-SSDOTTSWSA-N 1 2 229.629 1.738 20 30 BDEDLO C[C@@H](CC#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330952130 353203106 /nfs/dbraw/zinc/20/31/06/353203106.db2.gz KXODZFSXVFHPKQ-IUCAKERBSA-N 1 2 232.287 1.248 20 30 BDEDLO C[C@@H](CC#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330952130 353203108 /nfs/dbraw/zinc/20/31/08/353203108.db2.gz KXODZFSXVFHPKQ-IUCAKERBSA-N 1 2 232.287 1.248 20 30 BDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CC#N)CCC2 ZINC000331037372 353212783 /nfs/dbraw/zinc/21/27/83/353212783.db2.gz ASTBECMBLADMGF-JTQLQIEISA-N 1 2 232.287 1.099 20 30 BDEDLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000331123133 353220980 /nfs/dbraw/zinc/22/09/80/353220980.db2.gz AHOLPJARVXVEOQ-MWLCHTKSSA-N 1 2 218.304 1.938 20 30 BDEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@H](C)C#N)cn1 ZINC000331123133 353220984 /nfs/dbraw/zinc/22/09/84/353220984.db2.gz AHOLPJARVXVEOQ-MWLCHTKSSA-N 1 2 218.304 1.938 20 30 BDEDLO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000330001494 538112907 /nfs/dbraw/zinc/11/29/07/538112907.db2.gz XZXSLGIMNHEYLR-JTQLQIEISA-N 1 2 218.260 1.601 20 30 BDEDLO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000330001494 538112908 /nfs/dbraw/zinc/11/29/08/538112908.db2.gz XZXSLGIMNHEYLR-JTQLQIEISA-N 1 2 218.260 1.601 20 30 BDEDLO C=CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000121290814 324009083 /nfs/dbraw/zinc/00/90/83/324009083.db2.gz MDIBLZHPIIYGQE-GFCCVEGCSA-N 1 2 229.283 1.202 20 30 BDEDLO C=CC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000121290814 324009087 /nfs/dbraw/zinc/00/90/87/324009087.db2.gz MDIBLZHPIIYGQE-GFCCVEGCSA-N 1 2 229.283 1.202 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000164659915 188219212 /nfs/dbraw/zinc/21/92/12/188219212.db2.gz DQPYPWWJOXQUKM-UHFFFAOYSA-N 1 2 229.663 1.908 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000128304666 353287225 /nfs/dbraw/zinc/28/72/25/353287225.db2.gz ZWBUQAYNOFTDPQ-SNVBAGLBSA-N 1 2 248.330 1.521 20 30 BDEDLO C#CCOc1ccc(C[NH+]2CCOCC2)cc1 ZINC000060293300 188223117 /nfs/dbraw/zinc/22/31/17/188223117.db2.gz RBPYHCUUYBUFBE-UHFFFAOYSA-N 1 2 231.295 1.531 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000128642872 353301499 /nfs/dbraw/zinc/30/14/99/353301499.db2.gz QZBLIOJBYZTTQP-HNNXBMFYSA-N 1 2 229.323 1.953 20 30 BDEDLO CC#CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000128642872 353301501 /nfs/dbraw/zinc/30/15/01/353301501.db2.gz QZBLIOJBYZTTQP-HNNXBMFYSA-N 1 2 229.323 1.953 20 30 BDEDLO Cc1cc(N2CCC(CO)CC2)c(C#N)c[nH+]1 ZINC000398971107 353400984 /nfs/dbraw/zinc/40/09/84/353400984.db2.gz WBYMOBRUCUTJJJ-UHFFFAOYSA-N 1 2 231.299 1.470 20 30 BDEDLO C=CCC[N@@H+](C)Cc1ncnn1CCF ZINC000281673722 353456288 /nfs/dbraw/zinc/45/62/88/353456288.db2.gz QBCZQWUIAPHRIH-UHFFFAOYSA-N 1 2 212.272 1.256 20 30 BDEDLO C=CCC[N@H+](C)Cc1ncnn1CCF ZINC000281673722 353456292 /nfs/dbraw/zinc/45/62/92/353456292.db2.gz QBCZQWUIAPHRIH-UHFFFAOYSA-N 1 2 212.272 1.256 20 30 BDEDLO C#CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181566146 353431989 /nfs/dbraw/zinc/43/19/89/353431989.db2.gz PJCQSKLOLUWYRL-AWEZNQCLSA-N 1 2 215.296 1.563 20 30 BDEDLO C#CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181566146 353431991 /nfs/dbraw/zinc/43/19/91/353431991.db2.gz PJCQSKLOLUWYRL-AWEZNQCLSA-N 1 2 215.296 1.563 20 30 BDEDLO Cc1cc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(C#N)c[nH+]1 ZINC000398993081 353482444 /nfs/dbraw/zinc/48/24/44/353482444.db2.gz MTTJATBNZLNVOF-SUHUHFCYSA-N 1 2 243.310 1.469 20 30 BDEDLO C[N@H+](CC#Cc1ccccc1)CC(=O)NC1CC1 ZINC000191914631 353520929 /nfs/dbraw/zinc/52/09/29/353520929.db2.gz PKWJYZIMYDSAFY-UHFFFAOYSA-N 1 2 242.322 1.249 20 30 BDEDLO C[N@@H+](CC#Cc1ccccc1)CC(=O)NC1CC1 ZINC000191914631 353520934 /nfs/dbraw/zinc/52/09/34/353520934.db2.gz PKWJYZIMYDSAFY-UHFFFAOYSA-N 1 2 242.322 1.249 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000191959670 353523502 /nfs/dbraw/zinc/52/35/02/353523502.db2.gz LYBSMDNQUVKBMS-AWEZNQCLSA-N 1 2 242.322 1.249 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000191959670 353523505 /nfs/dbraw/zinc/52/35/05/353523505.db2.gz LYBSMDNQUVKBMS-AWEZNQCLSA-N 1 2 242.322 1.249 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(Cl)s1 ZINC000192223138 353538383 /nfs/dbraw/zinc/53/83/83/353538383.db2.gz VAUIUIOPZMIGOS-UHFFFAOYSA-N 1 2 200.694 1.862 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(Cl)s1 ZINC000192223138 353538384 /nfs/dbraw/zinc/53/83/84/353538384.db2.gz VAUIUIOPZMIGOS-UHFFFAOYSA-N 1 2 200.694 1.862 20 30 BDEDLO CC#CC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285466347 353544070 /nfs/dbraw/zinc/54/40/70/353544070.db2.gz KCQSJEXXQZFXJM-UHFFFAOYSA-N 1 2 217.268 1.610 20 30 BDEDLO CC#CC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285466347 353544073 /nfs/dbraw/zinc/54/40/73/353544073.db2.gz KCQSJEXXQZFXJM-UHFFFAOYSA-N 1 2 217.268 1.610 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000287840513 353589330 /nfs/dbraw/zinc/58/93/30/353589330.db2.gz QOJPUEBNSASYOS-UHFFFAOYSA-N 1 2 218.300 1.772 20 30 BDEDLO C#CC[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000287840513 353589332 /nfs/dbraw/zinc/58/93/32/353589332.db2.gz QOJPUEBNSASYOS-UHFFFAOYSA-N 1 2 218.300 1.772 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)OCCCC ZINC000286116764 353557071 /nfs/dbraw/zinc/55/70/71/353557071.db2.gz LYGBAOADMZUFSX-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO C#CC(C)(C)[N@H+](C)CC(=O)OCCCC ZINC000286116764 353557081 /nfs/dbraw/zinc/55/70/81/353557081.db2.gz LYGBAOADMZUFSX-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000289431726 353628751 /nfs/dbraw/zinc/62/87/51/353628751.db2.gz XRXWRSVBCYKZLZ-AWEZNQCLSA-N 1 2 240.310 1.669 20 30 BDEDLO C#CC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288582404 353611573 /nfs/dbraw/zinc/61/15/73/353611573.db2.gz CKEUUQFFOYGIII-UHFFFAOYSA-N 1 2 215.252 1.493 20 30 BDEDLO C#CC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288582404 353611575 /nfs/dbraw/zinc/61/15/75/353611575.db2.gz CKEUUQFFOYGIII-UHFFFAOYSA-N 1 2 215.252 1.493 20 30 BDEDLO C=C(C)CS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000184453539 353672716 /nfs/dbraw/zinc/67/27/16/353672716.db2.gz BLSHDYNVRXGJQK-UHFFFAOYSA-N 1 2 238.312 1.350 20 30 BDEDLO C#CCCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000290881689 353675272 /nfs/dbraw/zinc/67/52/72/353675272.db2.gz BBTYXEIHSQIECP-UHFFFAOYSA-N 1 2 246.314 1.212 20 30 BDEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCC(C#N)CC1 ZINC000096593504 353677815 /nfs/dbraw/zinc/67/78/15/353677815.db2.gz PCKHRWQIKXSXCM-LBPRGKRZSA-N 1 2 238.331 1.954 20 30 BDEDLO CCC[C@H](C(=O)OCC)[NH+]1CCC(C#N)CC1 ZINC000096593505 353677822 /nfs/dbraw/zinc/67/78/22/353677822.db2.gz PCKHRWQIKXSXCM-GFCCVEGCSA-N 1 2 238.331 1.954 20 30 BDEDLO C=C[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000291223003 353683705 /nfs/dbraw/zinc/68/37/05/353683705.db2.gz WBKNVMGIHXQULN-SNVBAGLBSA-N 1 2 233.315 1.623 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000291117162 353689274 /nfs/dbraw/zinc/68/92/74/353689274.db2.gz LZBLNZLASUGFAE-JTQLQIEISA-N 1 2 234.303 1.257 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000291117162 353689275 /nfs/dbraw/zinc/68/92/75/353689275.db2.gz LZBLNZLASUGFAE-JTQLQIEISA-N 1 2 234.303 1.257 20 30 BDEDLO C=CCC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000292240405 353707788 /nfs/dbraw/zinc/70/77/88/353707788.db2.gz LLMAYWFIGDBUTR-UHFFFAOYSA-N 1 2 221.304 1.602 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000292400570 353713140 /nfs/dbraw/zinc/71/31/40/353713140.db2.gz TVTOPYMJHIMLBM-LLVKDONJSA-N 1 2 234.299 1.158 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000292400570 353713142 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ZINC000369406960 134222874 /nfs/dbraw/zinc/22/28/74/134222874.db2.gz DHSAEKHOVKUSDC-YRGRVCCFSA-N 1 2 247.342 1.929 20 30 BDEDLO Cc1c([C@@H]2CCC[N@@H+]2CCC#N)cnn1C ZINC000371378737 134228486 /nfs/dbraw/zinc/22/84/86/134228486.db2.gz KYWFYVYUGJHDND-LBPRGKRZSA-N 1 2 218.304 1.779 20 30 BDEDLO Cc1c([C@@H]2CCC[N@H+]2CCC#N)cnn1C ZINC000371378737 134228487 /nfs/dbraw/zinc/22/84/87/134228487.db2.gz KYWFYVYUGJHDND-LBPRGKRZSA-N 1 2 218.304 1.779 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610448647 357942705 /nfs/dbraw/zinc/94/27/05/357942705.db2.gz KCUPJLJILDAUQD-LLVKDONJSA-N 1 2 241.331 1.605 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610448647 357942708 /nfs/dbraw/zinc/94/27/08/357942708.db2.gz KCUPJLJILDAUQD-LLVKDONJSA-N 1 2 241.331 1.605 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1 ZINC000304913207 134238873 /nfs/dbraw/zinc/23/88/73/134238873.db2.gz WTBLDUPDZFZGSS-OLZOCXBDSA-N 1 2 248.326 1.660 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000304913207 134238874 /nfs/dbraw/zinc/23/88/74/134238874.db2.gz WTBLDUPDZFZGSS-OLZOCXBDSA-N 1 2 248.326 1.660 20 30 BDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)co1 ZINC000584843947 358200692 /nfs/dbraw/zinc/20/06/92/358200692.db2.gz XBPFSHOYASLYRZ-LBPRGKRZSA-N 1 2 235.287 1.162 20 30 BDEDLO C=C(C)CCc1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000351229040 366455349 /nfs/dbraw/zinc/45/53/49/366455349.db2.gz RKVDTHPXDKCHGC-SNVBAGLBSA-N 1 2 237.303 1.581 20 30 BDEDLO C=C(C)CCc1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000351229040 366455358 /nfs/dbraw/zinc/45/53/58/366455358.db2.gz RKVDTHPXDKCHGC-SNVBAGLBSA-N 1 2 237.303 1.581 20 30 BDEDLO C=C(CC)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307749362 358441141 /nfs/dbraw/zinc/44/11/41/358441141.db2.gz GJFKXSWOGWUTNS-GXFFZTMASA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(CC)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307749362 358441144 /nfs/dbraw/zinc/44/11/44/358441144.db2.gz GJFKXSWOGWUTNS-GXFFZTMASA-N 1 2 201.335 1.405 20 30 BDEDLO C[N@H+](CCCC#N)CC(=O)Nc1ccccc1 ZINC000045915279 358567163 /nfs/dbraw/zinc/56/71/63/358567163.db2.gz CZHYMNNYEJCRHW-UHFFFAOYSA-N 1 2 231.299 1.861 20 30 BDEDLO C[N@@H+](CCCC#N)CC(=O)Nc1ccccc1 ZINC000045915279 358567167 /nfs/dbraw/zinc/56/71/67/358567167.db2.gz CZHYMNNYEJCRHW-UHFFFAOYSA-N 1 2 231.299 1.861 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000042897870 358532281 /nfs/dbraw/zinc/53/22/81/358532281.db2.gz MNGPBZAISAPKPY-LLVKDONJSA-N 1 2 249.318 1.074 20 30 BDEDLO CC(C)C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000049973423 358707874 /nfs/dbraw/zinc/70/78/74/358707874.db2.gz KKMKXWLDFDTKMJ-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176255625 134289782 /nfs/dbraw/zinc/28/97/82/134289782.db2.gz JUMGFTIYLXFPQS-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176255625 134289783 /nfs/dbraw/zinc/28/97/83/134289783.db2.gz JUMGFTIYLXFPQS-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057983 358880048 /nfs/dbraw/zinc/88/00/48/358880048.db2.gz WOXOXXXIBCHJCM-SNVBAGLBSA-N 1 2 236.315 1.711 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057983 358880052 /nfs/dbraw/zinc/88/00/52/358880052.db2.gz WOXOXXXIBCHJCM-SNVBAGLBSA-N 1 2 236.315 1.711 20 30 BDEDLO CCC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611153954 358897797 /nfs/dbraw/zinc/89/77/97/358897797.db2.gz VVSAACKBFIEOQR-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CCC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000611153954 358897801 /nfs/dbraw/zinc/89/78/01/358897801.db2.gz VVSAACKBFIEOQR-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[N@@H+](CC(=O)NCc1ccco1)C[C@@H](C)C#N ZINC000072031603 359084364 /nfs/dbraw/zinc/08/43/64/359084364.db2.gz RLVDMRQXXFDPKN-NSHDSACASA-N 1 2 249.314 1.377 20 30 BDEDLO CC[N@H+](CC(=O)NCc1ccco1)C[C@@H](C)C#N ZINC000072031603 359084367 /nfs/dbraw/zinc/08/43/67/359084367.db2.gz RLVDMRQXXFDPKN-NSHDSACASA-N 1 2 249.314 1.377 20 30 BDEDLO N#CC1(NC(=O)C[N@H+]2CC=CCC2)CCCCC1 ZINC000611517184 359386760 /nfs/dbraw/zinc/38/67/60/359386760.db2.gz GUHFEAUKVKNQHA-UHFFFAOYSA-N 1 2 247.342 1.591 20 30 BDEDLO N#CC1(NC(=O)C[N@@H+]2CC=CCC2)CCCCC1 ZINC000611517184 359386763 /nfs/dbraw/zinc/38/67/63/359386763.db2.gz GUHFEAUKVKNQHA-UHFFFAOYSA-N 1 2 247.342 1.591 20 30 BDEDLO C=C[C@](C)(O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063129 359629909 /nfs/dbraw/zinc/62/99/09/359629909.db2.gz FPUNXJARWUMUDL-ZDUSSCGKSA-N 1 2 249.314 1.053 20 30 BDEDLO C=C[C@](C)(O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063129 359629912 /nfs/dbraw/zinc/62/99/12/359629912.db2.gz FPUNXJARWUMUDL-ZDUSSCGKSA-N 1 2 249.314 1.053 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613842524 363664564 /nfs/dbraw/zinc/66/45/64/363664564.db2.gz NOCYABBRVRTMHE-GHMZBOCLSA-N 1 2 233.315 1.558 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160152 359711612 /nfs/dbraw/zinc/71/16/12/359711612.db2.gz GOIOPKGZJUMYJD-AWEZNQCLSA-N 1 2 249.358 1.480 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160152 359711618 /nfs/dbraw/zinc/71/16/18/359711618.db2.gz GOIOPKGZJUMYJD-AWEZNQCLSA-N 1 2 249.358 1.480 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000450804734 202269825 /nfs/dbraw/zinc/26/98/25/202269825.db2.gz NMTYGPIRVGJHRU-NEPJUHHUSA-N 1 2 245.326 1.921 20 30 BDEDLO COC[C@H]1C[N@H+](CC2(C#N)CCC2)C[C@@H](C)O1 ZINC000450834318 202282152 /nfs/dbraw/zinc/28/21/52/202282152.db2.gz ZKYHSCZVIXKVLE-VXGBXAGGSA-N 1 2 238.331 1.416 20 30 BDEDLO COC[C@H]1C[N@@H+](CC2(C#N)CCC2)C[C@@H](C)O1 ZINC000450834318 202282153 /nfs/dbraw/zinc/28/21/53/202282153.db2.gz ZKYHSCZVIXKVLE-VXGBXAGGSA-N 1 2 238.331 1.416 20 30 BDEDLO N#CCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000613906748 363689873 /nfs/dbraw/zinc/68/98/73/363689873.db2.gz VBZDHBHZHHJTTI-UHFFFAOYSA-N 1 2 229.283 1.032 20 30 BDEDLO CC[N@H+](CC#Cc1ccccc1)C1COC1 ZINC000451282208 202393206 /nfs/dbraw/zinc/39/32/06/202393206.db2.gz BGMWOJJIIDXGGK-UHFFFAOYSA-N 1 2 215.296 1.759 20 30 BDEDLO CC[N@@H+](CC#Cc1ccccc1)C1COC1 ZINC000451282208 202393208 /nfs/dbraw/zinc/39/32/08/202393208.db2.gz BGMWOJJIIDXGGK-UHFFFAOYSA-N 1 2 215.296 1.759 20 30 BDEDLO CC[N@H+](Cc1cccc(C#N)c1F)C1COC1 ZINC000451286866 202393383 /nfs/dbraw/zinc/39/33/83/202393383.db2.gz OZRTZLWLOZTZIE-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO CC[N@@H+](Cc1cccc(C#N)c1F)C1COC1 ZINC000451286866 202393385 /nfs/dbraw/zinc/39/33/85/202393385.db2.gz OZRTZLWLOZTZIE-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO N#CC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000088751202 359976063 /nfs/dbraw/zinc/97/60/63/359976063.db2.gz ZJJHWWQDAGJTFQ-UHFFFAOYSA-N 1 2 218.260 1.110 20 30 BDEDLO N#CC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000088751202 359976068 /nfs/dbraw/zinc/97/60/68/359976068.db2.gz ZJJHWWQDAGJTFQ-UHFFFAOYSA-N 1 2 218.260 1.110 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000058506505 360071154 /nfs/dbraw/zinc/07/11/54/360071154.db2.gz HPRUFJFNUFCPHG-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000058506505 360071158 /nfs/dbraw/zinc/07/11/58/360071158.db2.gz HPRUFJFNUFCPHG-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO CC[C@@H](CC#N)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000613049387 360299851 /nfs/dbraw/zinc/29/98/51/360299851.db2.gz CNLPSUWKCUPORR-JTQLQIEISA-N 1 2 242.286 1.766 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(CCC)CC1)C(=O)OC ZINC000300771261 360486276 /nfs/dbraw/zinc/48/62/76/360486276.db2.gz BFNGHPVAMCURFV-SNVBAGLBSA-N 1 2 211.305 1.884 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614209029 363744375 /nfs/dbraw/zinc/74/43/75/363744375.db2.gz FAMJYAVKHDBLLE-SNVBAGLBSA-N 1 2 233.315 1.597 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614209029 363744382 /nfs/dbraw/zinc/74/43/82/363744382.db2.gz FAMJYAVKHDBLLE-SNVBAGLBSA-N 1 2 233.315 1.597 20 30 BDEDLO C=CC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000034431705 360460051 /nfs/dbraw/zinc/46/00/51/360460051.db2.gz VVYWSEKJVXXTQL-UHFFFAOYSA-N 1 2 219.284 1.848 20 30 BDEDLO C=CC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000034431705 360460057 /nfs/dbraw/zinc/46/00/57/360460057.db2.gz VVYWSEKJVXXTQL-UHFFFAOYSA-N 1 2 219.284 1.848 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000161865498 360722049 /nfs/dbraw/zinc/72/20/49/360722049.db2.gz DOWQUEABKRJWBM-VHSXEESVSA-N 1 2 211.309 1.039 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccnn2C)nn1 ZINC000424294227 200900512 /nfs/dbraw/zinc/90/05/12/200900512.db2.gz JZXZKBIMZYSSDQ-SNVBAGLBSA-N 1 2 246.318 1.048 20 30 BDEDLO C=Cn1cc(C[NH2+][C@@H](CC)CC#N)cn1 ZINC000194352856 361218623 /nfs/dbraw/zinc/21/86/23/361218623.db2.gz JEGXLEIMOYQCOS-NSHDSACASA-N 1 2 204.277 1.765 20 30 BDEDLO CC[N@H+](CCC#N)C[C@](C)(O)C(F)(F)F ZINC000336658631 361320794 /nfs/dbraw/zinc/32/07/94/361320794.db2.gz BCSZRBNERZEPDT-QMMMGPOBSA-N 1 2 224.226 1.535 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@](C)(O)C(F)(F)F ZINC000336658631 361320799 /nfs/dbraw/zinc/32/07/99/361320799.db2.gz BCSZRBNERZEPDT-QMMMGPOBSA-N 1 2 224.226 1.535 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@H](C)[C@H](C)O1 ZINC000615000388 364343960 /nfs/dbraw/zinc/34/39/60/364343960.db2.gz NWRKMYUUANFZRS-UTUOFQBUSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@H](C)[C@H](C)O1 ZINC000615000388 364343965 /nfs/dbraw/zinc/34/39/65/364343965.db2.gz NWRKMYUUANFZRS-UTUOFQBUSA-N 1 2 245.326 1.951 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000623632920 364679867 /nfs/dbraw/zinc/67/98/67/364679867.db2.gz VJTNZQYCZJBGQN-NSHDSACASA-N 1 2 248.330 1.528 20 30 BDEDLO CC#CC[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157592637 193003585 /nfs/dbraw/zinc/00/35/85/193003585.db2.gz PSMDFVRTLMFYCK-UHFFFAOYSA-N 1 2 249.383 1.905 20 30 BDEDLO Cc1cccc(C[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000554552270 325726845 /nfs/dbraw/zinc/72/68/45/325726845.db2.gz PEWWSQSFQBFCQO-LBPRGKRZSA-N 1 2 228.299 1.923 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cncc(C#N)n1 ZINC000575177046 365230510 /nfs/dbraw/zinc/23/05/10/365230510.db2.gz OYLRNVZONSLZJY-SECBINFHSA-N 1 2 242.286 1.738 20 30 BDEDLO CC[C@@H](C)NC(=O)C[NH2+][C@H](CC)CC#N ZINC000575327421 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/nfs/dbraw/zinc/88/51/41/384885141.db2.gz OFGBPJCFTONXKB-UHFFFAOYSA-N 1 2 222.288 1.971 20 30 BDEDLO C=CC[N@H+](Cc1cc(COC)on1)C1CC1 ZINC000297665914 384885146 /nfs/dbraw/zinc/88/51/46/384885146.db2.gz OFGBPJCFTONXKB-UHFFFAOYSA-N 1 2 222.288 1.971 20 30 BDEDLO C=CCN(CCC#N)Cc1cc[nH+]c(N)c1 ZINC000336672877 384850590 /nfs/dbraw/zinc/85/05/90/384850590.db2.gz OFIHOFMFCWFRIZ-UHFFFAOYSA-N 1 2 216.288 1.396 20 30 BDEDLO C=CCOC[C@H]([NH2+]C[C@@H](C)CC)C(=O)OC ZINC000309993781 385007833 /nfs/dbraw/zinc/00/78/33/385007833.db2.gz BRXURKHDCNFMJN-QWRGUYRKSA-N 1 2 229.320 1.366 20 30 BDEDLO C[C@H]1C[N@H+](CCNc2cnccc2C#N)CCO1 ZINC000539844215 385019004 /nfs/dbraw/zinc/01/90/04/385019004.db2.gz FPIYUMQCAFXVFN-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1C[N@@H+](CCNc2cnccc2C#N)CCO1 ZINC000539844215 385019011 /nfs/dbraw/zinc/01/90/11/385019011.db2.gz FPIYUMQCAFXVFN-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176252930 385049839 /nfs/dbraw/zinc/04/98/39/385049839.db2.gz RZCZSIZKQDZGAK-LLVKDONJSA-N 1 2 237.347 1.527 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176252930 385049851 /nfs/dbraw/zinc/04/98/51/385049851.db2.gz RZCZSIZKQDZGAK-LLVKDONJSA-N 1 2 237.347 1.527 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491542782 385124039 /nfs/dbraw/zinc/12/40/39/385124039.db2.gz BYVCBQAKCNBNGI-ZJUUUORDSA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491542782 385124043 /nfs/dbraw/zinc/12/40/43/385124043.db2.gz BYVCBQAKCNBNGI-ZJUUUORDSA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@@H](CCC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000233296139 259661576 /nfs/dbraw/zinc/66/15/76/259661576.db2.gz PKVANGMGCMZAEG-WDEREUQCSA-N 1 2 209.289 1.330 20 30 BDEDLO CCCCOC(=O)C[NH+]1CCC(C#N)CC1 ZINC000061040324 385105134 /nfs/dbraw/zinc/10/51/34/385105134.db2.gz YCRSJYPMBDRMTL-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO C=CCO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000165330521 385107533 /nfs/dbraw/zinc/10/75/33/385107533.db2.gz BGFJFVIHJVSGHO-UHFFFAOYSA-N 1 2 220.272 1.713 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cncc(F)c1 ZINC000491219940 385149055 /nfs/dbraw/zinc/14/90/55/385149055.db2.gz IQZDTZDXKMGSFX-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cncc(F)c1 ZINC000491219940 385149061 /nfs/dbraw/zinc/14/90/61/385149061.db2.gz IQZDTZDXKMGSFX-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO CC#CCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000165865141 385203194 /nfs/dbraw/zinc/20/31/94/385203194.db2.gz IWWJUINATYKSNF-UHFFFAOYSA-N 1 2 248.282 1.364 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000491268384 385288851 /nfs/dbraw/zinc/28/88/51/385288851.db2.gz ZCMWDRZJDQPJGP-QWHCGFSZSA-N 1 2 234.343 1.248 20 30 BDEDLO C[C@@H](O)CCC[N@H+](CC#N)C1CCCC1 ZINC000308943347 385299991 /nfs/dbraw/zinc/29/99/91/385299991.db2.gz VMKFEZBSOJJPDL-LLVKDONJSA-N 1 2 210.321 1.916 20 30 BDEDLO C[C@@H](O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000308943347 385299997 /nfs/dbraw/zinc/29/99/97/385299997.db2.gz VMKFEZBSOJJPDL-LLVKDONJSA-N 1 2 210.321 1.916 20 30 BDEDLO CCOC(=O)[C@@H]([NH2+]CCCC#N)[C@@H](C)CC ZINC000181649829 385411668 /nfs/dbraw/zinc/41/16/68/385411668.db2.gz ADMYXSPPDVKVRZ-QWRGUYRKSA-N 1 2 226.320 1.858 20 30 BDEDLO C[C@@H]1CCN(CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156498797 385454851 /nfs/dbraw/zinc/45/48/51/385454851.db2.gz AYUWMGVZQWBESC-MNOVXSKESA-N 1 2 204.277 1.290 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC000491691410 385485564 /nfs/dbraw/zinc/48/55/64/385485564.db2.gz DXYCIWBZKKIAKT-QMMMGPOBSA-N 1 2 223.301 1.035 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000491691410 385485568 /nfs/dbraw/zinc/48/55/68/385485568.db2.gz DXYCIWBZKKIAKT-QMMMGPOBSA-N 1 2 223.301 1.035 20 30 BDEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000362354127 385506961 /nfs/dbraw/zinc/50/69/61/385506961.db2.gz TUYRTGVULSLQBZ-LBPRGKRZSA-N 1 2 216.284 1.257 20 30 BDEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000362354127 385506962 /nfs/dbraw/zinc/50/69/62/385506962.db2.gz TUYRTGVULSLQBZ-LBPRGKRZSA-N 1 2 216.284 1.257 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171927813 385534113 /nfs/dbraw/zinc/53/41/13/385534113.db2.gz BJCLXKHQHASSBZ-JTQLQIEISA-N 1 2 242.282 1.708 20 30 BDEDLO C=CC[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000185815902 385740096 /nfs/dbraw/zinc/74/00/96/385740096.db2.gz NUVQBZFSXICTOT-NSHDSACASA-N 1 2 245.282 1.001 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CC12CCC2 ZINC000491739808 385756717 /nfs/dbraw/zinc/75/67/17/385756717.db2.gz NXQFROJKUWKEIS-JTQLQIEISA-N 1 2 206.289 1.052 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CC12CCC2 ZINC000491739808 385756723 /nfs/dbraw/zinc/75/67/23/385756723.db2.gz NXQFROJKUWKEIS-JTQLQIEISA-N 1 2 206.289 1.052 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340199334 385904621 /nfs/dbraw/zinc/90/46/21/385904621.db2.gz LHACBEKBRBFRIO-RKDXNWHRSA-N 1 2 236.237 1.678 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340199334 385904627 /nfs/dbraw/zinc/90/46/27/385904627.db2.gz LHACBEKBRBFRIO-RKDXNWHRSA-N 1 2 236.237 1.678 20 30 BDEDLO Cc1cc(CNC(=O)[C@@]2(C#N)C[C@H]2C)cc(C)[nH+]1 ZINC000335059202 385960905 /nfs/dbraw/zinc/96/09/05/385960905.db2.gz RPDQVMKGEGOUFH-YMTOWFKASA-N 1 2 243.310 1.864 20 30 BDEDLO Cc1cc(NC[C@@H](C)C[C@H](C)O)c(C#N)c[nH+]1 ZINC000398986207 386321373 /nfs/dbraw/zinc/32/13/73/386321373.db2.gz IAWIJSZXPIUETM-ONGXEEELSA-N 1 2 233.315 1.503 20 30 BDEDLO Cc1cc(NC[C@H](C)C[C@@H](C)O)c(C#N)c[nH+]1 ZINC000398986206 386321611 /nfs/dbraw/zinc/32/16/11/386321611.db2.gz IAWIJSZXPIUETM-MWLCHTKSSA-N 1 2 233.315 1.503 20 30 BDEDLO Cc1cc(NC[C@@]2(O)CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000398994224 386408302 /nfs/dbraw/zinc/40/83/02/386408302.db2.gz NLSAMKZZBDCXIF-YGRLFVJLSA-N 1 2 245.326 1.647 20 30 BDEDLO CC#CC[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000645406042 386482156 /nfs/dbraw/zinc/48/21/56/386482156.db2.gz PBGQSRKGBJUBMH-NSHDSACASA-N 1 2 243.310 1.181 20 30 BDEDLO Cc1nonc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000265163239 386492476 /nfs/dbraw/zinc/49/24/76/386492476.db2.gz WQOINFORIZUJDH-UHFFFAOYSA-N 1 2 242.282 1.882 20 30 BDEDLO Cc1nonc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000265163239 386492480 /nfs/dbraw/zinc/49/24/80/386492480.db2.gz WQOINFORIZUJDH-UHFFFAOYSA-N 1 2 242.282 1.882 20 30 BDEDLO Cc1cc(N(C)CC(C)(C)O)c(C#N)c[nH+]1 ZINC000399008574 386504906 /nfs/dbraw/zinc/50/49/06/386504906.db2.gz BMPMCGDMIAHYFD-UHFFFAOYSA-N 1 2 219.288 1.469 20 30 BDEDLO Cc1cc(NCCC2(CO)CC2)c(C#N)c[nH+]1 ZINC000399002437 386505016 /nfs/dbraw/zinc/50/50/16/386505016.db2.gz TVZCFGKNIFTPMG-UHFFFAOYSA-N 1 2 231.299 1.258 20 30 BDEDLO CC[C@H](CC#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000277627222 386453483 /nfs/dbraw/zinc/45/34/83/386453483.db2.gz BWDZEIJJCMQIOZ-CDAZIORVSA-N 1 2 218.260 1.231 20 30 BDEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)CC2(CCC2)O1 ZINC000335465113 386550461 /nfs/dbraw/zinc/55/04/61/386550461.db2.gz SUBGGCTYBYXQQC-NSHDSACASA-N 1 2 220.316 1.934 20 30 BDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)CC2(CCC2)O1 ZINC000335465113 386550463 /nfs/dbraw/zinc/55/04/63/386550463.db2.gz SUBGGCTYBYXQQC-NSHDSACASA-N 1 2 220.316 1.934 20 30 BDEDLO O=C(NC[C@H](O)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328945096 386649934 /nfs/dbraw/zinc/64/99/34/386649934.db2.gz LZKOGDVQZKLJCA-JQWIXIFHSA-N 1 2 249.314 1.173 20 30 BDEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCO1 ZINC000328982018 386666194 /nfs/dbraw/zinc/66/61/94/386666194.db2.gz YKAQQQRURKWNOH-GZMMTYOYSA-N 1 2 235.287 1.403 20 30 BDEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCO1 ZINC000328982018 386666199 /nfs/dbraw/zinc/66/61/99/386666199.db2.gz YKAQQQRURKWNOH-GZMMTYOYSA-N 1 2 235.287 1.403 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C(=O)CCCC#N ZINC000292732060 386717234 /nfs/dbraw/zinc/71/72/34/386717234.db2.gz UQPRTFPUNPNHJW-UHFFFAOYSA-N 1 2 220.276 1.072 20 30 BDEDLO C#CCN(CC#C)Cc1c[nH+]c2c(C)cccn12 ZINC000093475519 386834379 /nfs/dbraw/zinc/83/43/79/386834379.db2.gz ZLHDZHAXSRMRSH-UHFFFAOYSA-N 1 2 237.306 1.711 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC000335749193 386872661 /nfs/dbraw/zinc/87/26/61/386872661.db2.gz YIXWYKRGMRCWJK-SECBINFHSA-N 1 2 244.298 1.392 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CCC1 ZINC000335749193 386872666 /nfs/dbraw/zinc/87/26/66/386872666.db2.gz YIXWYKRGMRCWJK-SECBINFHSA-N 1 2 244.298 1.392 20 30 BDEDLO Cc1cc(N[C@@H](C)C[C@@H](C)O)c(C#N)c[nH+]1 ZINC000399153089 387002566 /nfs/dbraw/zinc/00/25/66/387002566.db2.gz CCUSDFAEKSLLIB-VHSXEESVSA-N 1 2 219.288 1.255 20 30 BDEDLO Cc1cc(NCC2([S@](C)=O)CC2)c(C#N)c[nH+]1 ZINC000399591561 387034180 /nfs/dbraw/zinc/03/41/80/387034180.db2.gz QVFGHEYNAYMXID-KRWDZBQOSA-N 1 2 249.339 1.007 20 30 BDEDLO CCCCOCCNc1cc(C)[nH+]cc1C#N ZINC000399622778 387053341 /nfs/dbraw/zinc/05/33/41/387053341.db2.gz ZMRGPJOKVNJKJX-UHFFFAOYSA-N 1 2 233.315 1.912 20 30 BDEDLO Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399567052 387014645 /nfs/dbraw/zinc/01/46/45/387014645.db2.gz IOKXYIPUQCHSJW-VXGBXAGGSA-N 1 2 245.326 1.911 20 30 BDEDLO CO[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000399706501 387118798 /nfs/dbraw/zinc/11/87/98/387118798.db2.gz DRAKCKYQPQBPRY-SECBINFHSA-N 1 2 205.261 1.130 20 30 BDEDLO N#CC1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000057907284 387148796 /nfs/dbraw/zinc/14/87/96/387148796.db2.gz XRIZGTLIDHPSTA-UHFFFAOYSA-N 1 2 235.331 1.281 20 30 BDEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514717358 387277182 /nfs/dbraw/zinc/27/71/82/387277182.db2.gz MEZKHBSPYXIEKN-TVQRCGJNSA-N 1 2 240.266 1.823 20 30 BDEDLO C[C@H](CC(=O)NC(C)(C)C#N)n1cc[nH+]c1 ZINC000572246591 387278276 /nfs/dbraw/zinc/27/82/76/387278276.db2.gz HOOHJUJKFGXHOP-SECBINFHSA-N 1 2 220.276 1.253 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(CC#N)CC1 ZINC000514798095 387294576 /nfs/dbraw/zinc/29/45/76/387294576.db2.gz HOCWWYWOPZFDKM-JTQLQIEISA-N 1 2 246.314 1.398 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(CC#N)CC1 ZINC000514798095 387294579 /nfs/dbraw/zinc/29/45/79/387294579.db2.gz HOCWWYWOPZFDKM-JTQLQIEISA-N 1 2 246.314 1.398 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000266033329 387401911 /nfs/dbraw/zinc/40/19/11/387401911.db2.gz SOGIERRLHJAODA-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000266033329 387401917 /nfs/dbraw/zinc/40/19/17/387401917.db2.gz SOGIERRLHJAODA-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cnn(C)c1 ZINC000352811103 387513927 /nfs/dbraw/zinc/51/39/27/387513927.db2.gz QJHNYVOIAPLGHF-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2ncccc2O)n1 ZINC000352892456 387517308 /nfs/dbraw/zinc/51/73/08/387517308.db2.gz LJTNJSDYBZSMGQ-UHFFFAOYSA-N 1 2 246.295 1.405 20 30 BDEDLO C#CCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000277079646 387528780 /nfs/dbraw/zinc/52/87/80/387528780.db2.gz JBOGQFWWJZYCGN-UHFFFAOYSA-N 1 2 205.261 1.138 20 30 BDEDLO C=CC[C@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277686308 387538479 /nfs/dbraw/zinc/53/84/79/387538479.db2.gz FMIYTXMNJXEBJX-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO C=CC[C@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277686308 387538486 /nfs/dbraw/zinc/53/84/86/387538486.db2.gz FMIYTXMNJXEBJX-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO COC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000293697444 387546998 /nfs/dbraw/zinc/54/69/98/387546998.db2.gz WVLUABDMFGVCGF-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@H]1CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000293697444 387547001 /nfs/dbraw/zinc/54/70/01/387547001.db2.gz WVLUABDMFGVCGF-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO COC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399548250 387553257 /nfs/dbraw/zinc/55/32/57/387553257.db2.gz ZFCKWAKJLOCHRY-UHFFFAOYSA-N 1 2 231.299 1.877 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccnc2)nn1 ZINC000424135114 387653152 /nfs/dbraw/zinc/65/31/52/387653152.db2.gz IWBQWTFZQZKUDG-NSHDSACASA-N 1 2 243.314 1.710 20 30 BDEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ncnn1C ZINC000353185995 387745357 /nfs/dbraw/zinc/74/53/57/387745357.db2.gz XMEAIMDMKQPCJU-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO CC[N@H+](CC(=O)OC)Cc1cccc(C#N)c1 ZINC000049947665 387801482 /nfs/dbraw/zinc/80/14/82/387801482.db2.gz IZNAZPRGOPZKJQ-UHFFFAOYSA-N 1 2 232.283 1.553 20 30 BDEDLO CC[N@@H+](CC(=O)OC)Cc1cccc(C#N)c1 ZINC000049947665 387801484 /nfs/dbraw/zinc/80/14/84/387801484.db2.gz IZNAZPRGOPZKJQ-UHFFFAOYSA-N 1 2 232.283 1.553 20 30 BDEDLO N#CCCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334841 387804745 /nfs/dbraw/zinc/80/47/45/387804745.db2.gz WMCPVXBEUKCYKK-UHFFFAOYSA-N 1 2 232.287 1.852 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000448712578 387914348 /nfs/dbraw/zinc/91/43/48/387914348.db2.gz ZGYSYIYEUFSVLB-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000424297131 387957990 /nfs/dbraw/zinc/95/79/90/387957990.db2.gz PXTGZSQTJAYPTA-VIFPVBQESA-N 1 2 232.291 1.038 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@H+](C)[C@H](C)CC#N)C1=O ZINC000245583429 387963406 /nfs/dbraw/zinc/96/34/06/387963406.db2.gz DGDGLLRCWHYWDC-VXGBXAGGSA-N 1 2 237.347 1.620 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@@H+](C)[C@H](C)CC#N)C1=O ZINC000245583429 387963410 /nfs/dbraw/zinc/96/34/10/387963410.db2.gz DGDGLLRCWHYWDC-VXGBXAGGSA-N 1 2 237.347 1.620 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cn1 ZINC000042338287 388087543 /nfs/dbraw/zinc/08/75/43/388087543.db2.gz APYQADDPSZEDMI-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C=CCCCC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000449267634 388164978 /nfs/dbraw/zinc/16/49/78/388164978.db2.gz APJXTQXHWVXKMD-QJPTWQEYSA-N 1 2 243.347 1.633 20 30 BDEDLO N#Cc1cc(C[N@H+](C2CC2)C2COC2)ccn1 ZINC000590745284 388129235 /nfs/dbraw/zinc/12/92/35/388129235.db2.gz LLLOJEFXWQXXCT-UHFFFAOYSA-N 1 2 229.283 1.316 20 30 BDEDLO N#Cc1cc(C[N@@H+](C2CC2)C2COC2)ccn1 ZINC000590745284 388129236 /nfs/dbraw/zinc/12/92/36/388129236.db2.gz LLLOJEFXWQXXCT-UHFFFAOYSA-N 1 2 229.283 1.316 20 30 BDEDLO C=CCC[C@@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000455039044 388146221 /nfs/dbraw/zinc/14/62/21/388146221.db2.gz UPPDQKZQACAMDD-NSHDSACASA-N 1 2 249.314 1.261 20 30 BDEDLO C#C[C@H](CCC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000490715377 388249653 /nfs/dbraw/zinc/24/96/53/388249653.db2.gz WPIUWYRJDPZGRJ-SNVBAGLBSA-N 1 2 219.288 1.260 20 30 BDEDLO C#C[C@H](CCC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000490715377 388249656 /nfs/dbraw/zinc/24/96/56/388249656.db2.gz WPIUWYRJDPZGRJ-SNVBAGLBSA-N 1 2 219.288 1.260 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC[C@@H](C)C1 ZINC000490715224 388249948 /nfs/dbraw/zinc/24/99/48/388249948.db2.gz VIMNETFMULUCBR-CQSZACIVSA-N 1 2 246.354 1.203 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC[C@@H](C)C1 ZINC000490715224 388249949 /nfs/dbraw/zinc/24/99/49/388249949.db2.gz VIMNETFMULUCBR-CQSZACIVSA-N 1 2 246.354 1.203 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccncc1 ZINC000489398204 388210565 /nfs/dbraw/zinc/21/05/65/388210565.db2.gz ICBRMRHJHDBAMU-CYBMUJFWSA-N 1 2 245.326 1.483 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccncc1 ZINC000489398204 388210566 /nfs/dbraw/zinc/21/05/66/388210566.db2.gz ICBRMRHJHDBAMU-CYBMUJFWSA-N 1 2 245.326 1.483 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c(C)nn(C)c1C ZINC000490915086 388259869 /nfs/dbraw/zinc/25/98/69/388259869.db2.gz LTGYBAGOVIHROU-UHFFFAOYSA-N 1 2 229.327 1.495 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c(C)nn(C)c1C ZINC000490915086 388259871 /nfs/dbraw/zinc/25/98/71/388259871.db2.gz LTGYBAGOVIHROU-UHFFFAOYSA-N 1 2 229.327 1.495 20 30 BDEDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000459445221 388244841 /nfs/dbraw/zinc/24/48/41/388244841.db2.gz BPLLWKSRORXGOC-MWLCHTKSSA-N 1 2 246.314 1.526 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@H](CC)C1=O ZINC000491338022 388286611 /nfs/dbraw/zinc/28/66/11/388286611.db2.gz FRUZDAUJOUVVHO-QWRGUYRKSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@H](CC)C1=O ZINC000491338022 388286613 /nfs/dbraw/zinc/28/66/13/388286613.db2.gz FRUZDAUJOUVVHO-QWRGUYRKSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000491348678 388286822 /nfs/dbraw/zinc/28/68/22/388286822.db2.gz DVWUDOQMGIWWSR-NSHDSACASA-N 1 2 233.315 1.127 20 30 BDEDLO C#CC(C)(C)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000491375621 388289951 /nfs/dbraw/zinc/28/99/51/388289951.db2.gz WWWTZLHMONIWRK-FPLPWBNLSA-N 1 2 231.299 1.444 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOc1ccccc1 ZINC000491438333 388294285 /nfs/dbraw/zinc/29/42/85/388294285.db2.gz BRAFFHLQIRBHKB-ZDUSSCGKSA-N 1 2 231.295 1.399 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOc1ccccc1 ZINC000491438333 388294286 /nfs/dbraw/zinc/29/42/86/388294286.db2.gz BRAFFHLQIRBHKB-ZDUSSCGKSA-N 1 2 231.295 1.399 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000491441521 388294966 /nfs/dbraw/zinc/29/49/66/388294966.db2.gz WKOBCFUOZNKQAZ-CYBMUJFWSA-N 1 2 201.269 1.521 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000491441521 388294967 /nfs/dbraw/zinc/29/49/67/388294967.db2.gz WKOBCFUOZNKQAZ-CYBMUJFWSA-N 1 2 201.269 1.521 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1sccc1C ZINC000491484932 388298173 /nfs/dbraw/zinc/29/81/73/388298173.db2.gz LTWGWHACJISLQV-LLVKDONJSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1sccc1C ZINC000491484932 388298174 /nfs/dbraw/zinc/29/81/74/388298174.db2.gz LTWGWHACJISLQV-LLVKDONJSA-N 1 2 221.325 1.891 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)oc1C ZINC000491516197 388300051 /nfs/dbraw/zinc/30/00/51/388300051.db2.gz RREFMTYPDNBXLI-UHFFFAOYSA-N 1 2 221.256 1.440 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)oc1C ZINC000491516197 388300052 /nfs/dbraw/zinc/30/00/52/388300052.db2.gz RREFMTYPDNBXLI-UHFFFAOYSA-N 1 2 221.256 1.440 20 30 BDEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)C1CC1 ZINC000491635568 388307131 /nfs/dbraw/zinc/30/71/31/388307131.db2.gz KSKBXIYAFAWVCC-UHFFFAOYSA-N 1 2 244.338 1.922 20 30 BDEDLO C#CC[N@H+](CC(=O)c1cc(C)n(C)c1C)C1CC1 ZINC000491635568 388307132 /nfs/dbraw/zinc/30/71/32/388307132.db2.gz KSKBXIYAFAWVCC-UHFFFAOYSA-N 1 2 244.338 1.922 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000491638285 388307433 /nfs/dbraw/zinc/30/74/33/388307433.db2.gz VODDGQXPHLXMLC-SSDOTTSWSA-N 1 2 231.221 1.882 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000491638285 388307434 /nfs/dbraw/zinc/30/74/34/388307434.db2.gz VODDGQXPHLXMLC-SSDOTTSWSA-N 1 2 231.221 1.882 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000491694065 388311485 /nfs/dbraw/zinc/31/14/85/388311485.db2.gz ADRBBKZHTNLABH-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000491694065 388311486 /nfs/dbraw/zinc/31/14/86/388311486.db2.gz ADRBBKZHTNLABH-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CCC(C)(C)C1=O ZINC000491703354 388312841 /nfs/dbraw/zinc/31/28/41/388312841.db2.gz SMZCULBYUDNNKB-JTQLQIEISA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CCC(C)(C)C1=O ZINC000491703354 388312842 /nfs/dbraw/zinc/31/28/42/388312842.db2.gz SMZCULBYUDNNKB-JTQLQIEISA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1C(=O)OCC ZINC000491725370 388315017 /nfs/dbraw/zinc/31/50/17/388315017.db2.gz DMVOWGRXTDCDCM-SNVBAGLBSA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(C)nc1C(=O)OCC ZINC000491725370 388315018 /nfs/dbraw/zinc/31/50/18/388315018.db2.gz DMVOWGRXTDCDCM-SNVBAGLBSA-N 1 2 249.314 1.050 20 30 BDEDLO C#CCN(CC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491729690 388315730 /nfs/dbraw/zinc/31/57/30/388315730.db2.gz NWVPBJZJDXXQLZ-NSHDSACASA-N 1 2 248.330 1.629 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491750420 388317464 /nfs/dbraw/zinc/31/74/64/388317464.db2.gz RYJKCYBQPLMLGL-NXEZZACHSA-N 1 2 219.288 1.068 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491750420 388317465 /nfs/dbraw/zinc/31/74/65/388317465.db2.gz RYJKCYBQPLMLGL-NXEZZACHSA-N 1 2 219.288 1.068 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000491753550 388318136 /nfs/dbraw/zinc/31/81/36/388318136.db2.gz OQNLMCXWBXWZMT-LLVKDONJSA-N 1 2 206.289 1.260 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000491753550 388318137 /nfs/dbraw/zinc/31/81/37/388318137.db2.gz OQNLMCXWBXWZMT-LLVKDONJSA-N 1 2 206.289 1.260 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn2ccsc2n1 ZINC000491781105 388320281 /nfs/dbraw/zinc/32/02/81/388320281.db2.gz FVAHCFHEUXLFPQ-SECBINFHSA-N 1 2 219.313 1.849 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn2ccsc2n1 ZINC000491781105 388320282 /nfs/dbraw/zinc/32/02/82/388320282.db2.gz FVAHCFHEUXLFPQ-SECBINFHSA-N 1 2 219.313 1.849 20 30 BDEDLO C#C[C@@H](CC)NC(=O)NCc1[nH+]ccn1CC ZINC000491780249 388320351 /nfs/dbraw/zinc/32/03/51/388320351.db2.gz KJCXVOCRNZDJRI-JTQLQIEISA-N 1 2 234.303 1.114 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccn(CCC)c1 ZINC000491815484 388323307 /nfs/dbraw/zinc/32/33/07/388323307.db2.gz FVQOWTJJNXBVIJ-AWEZNQCLSA-N 1 2 232.327 1.732 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccn(CCC)c1 ZINC000491815484 388323308 /nfs/dbraw/zinc/32/33/08/388323308.db2.gz FVQOWTJJNXBVIJ-AWEZNQCLSA-N 1 2 232.327 1.732 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000336712679 256620687 /nfs/dbraw/zinc/62/06/87/256620687.db2.gz OKKSOOKGIJJEBF-NWDGAFQWSA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000336712679 256620689 /nfs/dbraw/zinc/62/06/89/256620689.db2.gz OKKSOOKGIJJEBF-NWDGAFQWSA-N 1 2 237.347 1.477 20 30 BDEDLO C#CCN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491230794 388278414 /nfs/dbraw/zinc/27/84/14/388278414.db2.gz PALWGXWJCSPJLU-UHFFFAOYSA-N 1 2 228.255 1.431 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC#N)ccn12 ZINC000572778409 388375813 /nfs/dbraw/zinc/37/58/13/388375813.db2.gz HTJDRSXZQLNVFE-SECBINFHSA-N 1 2 242.282 1.675 20 30 BDEDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000293234403 388388187 /nfs/dbraw/zinc/38/81/87/388388187.db2.gz QORZBLKOTQDOGW-SECBINFHSA-N 1 2 241.298 1.836 20 30 BDEDLO C=CCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492257630 388339505 /nfs/dbraw/zinc/33/95/05/388339505.db2.gz FQKPPPYMWWLIOL-AATRIKPKSA-N 1 2 205.261 1.218 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC)[C@@H]1CCc2ccccc21 ZINC000078047376 388487130 /nfs/dbraw/zinc/48/71/30/388487130.db2.gz DMPXNMQHBHEGJD-CQSZACIVSA-N 1 2 243.306 1.782 20 30 BDEDLO C#CC[N@H+](CC(=O)OC)[C@@H]1CCc2ccccc21 ZINC000078047376 388487132 /nfs/dbraw/zinc/48/71/32/388487132.db2.gz DMPXNMQHBHEGJD-CQSZACIVSA-N 1 2 243.306 1.782 20 30 BDEDLO N#Cc1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000301057649 388608835 /nfs/dbraw/zinc/60/88/35/388608835.db2.gz BRYVJNIJTVVFTN-UHFFFAOYSA-N 1 2 249.339 1.378 20 30 BDEDLO CC#CC[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185240779 388585686 /nfs/dbraw/zinc/58/56/86/388585686.db2.gz VUWONHLBDDPMGQ-HNNXBMFYSA-N 1 2 227.373 1.633 20 30 BDEDLO CC#CC[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185240779 388585688 /nfs/dbraw/zinc/58/56/88/388585688.db2.gz VUWONHLBDDPMGQ-HNNXBMFYSA-N 1 2 227.373 1.633 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C#N)[nH]1 ZINC000519717635 388667143 /nfs/dbraw/zinc/66/71/43/388667143.db2.gz YHYQCODABXYHMC-UHFFFAOYSA-N 1 2 243.270 1.033 20 30 BDEDLO C[C@@H]1C[C@H](Nc2ccncc2C#N)c2[nH+]ccn21 ZINC000520338305 388668602 /nfs/dbraw/zinc/66/86/02/388668602.db2.gz KJZPRWDORZALSK-SKDRFNHKSA-N 1 2 239.282 1.690 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NC1CCCCCCC1 ZINC000192221721 388676842 /nfs/dbraw/zinc/67/68/42/388676842.db2.gz OVABHRSHSKUBKL-UHFFFAOYSA-N 1 2 236.359 1.781 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NC1CCCCCCC1 ZINC000192221721 388676844 /nfs/dbraw/zinc/67/68/44/388676844.db2.gz OVABHRSHSKUBKL-UHFFFAOYSA-N 1 2 236.359 1.781 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NCCC1CCCCC1 ZINC000192223073 388677005 /nfs/dbraw/zinc/67/70/05/388677005.db2.gz GMXYISFXABSECF-UHFFFAOYSA-N 1 2 236.359 1.638 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NCCC1CCCCC1 ZINC000192223073 388677006 /nfs/dbraw/zinc/67/70/06/388677006.db2.gz GMXYISFXABSECF-UHFFFAOYSA-N 1 2 236.359 1.638 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000192226858 388677543 /nfs/dbraw/zinc/67/75/43/388677543.db2.gz RXAVNPYYRWSXDY-UHFFFAOYSA-N 1 2 245.257 1.941 20 30 BDEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000192226858 388677544 /nfs/dbraw/zinc/67/75/44/388677544.db2.gz RXAVNPYYRWSXDY-UHFFFAOYSA-N 1 2 245.257 1.941 20 30 BDEDLO N#CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000126745720 388700282 /nfs/dbraw/zinc/70/02/82/388700282.db2.gz CRXDQZNAQOYQEJ-UHFFFAOYSA-N 1 2 240.266 1.185 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cnc2cnccn12 ZINC000127603594 388726807 /nfs/dbraw/zinc/72/68/07/388726807.db2.gz NLOQRWNLYSLITJ-UHFFFAOYSA-N 1 2 229.287 1.465 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cnc2cnccn12 ZINC000127603594 388726811 /nfs/dbraw/zinc/72/68/11/388726811.db2.gz NLOQRWNLYSLITJ-UHFFFAOYSA-N 1 2 229.287 1.465 20 30 BDEDLO C=C(CC)C[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000540202097 388799945 /nfs/dbraw/zinc/79/99/45/388799945.db2.gz HRYSTJJSBGZYJP-NSHDSACASA-N 1 2 243.372 1.933 20 30 BDEDLO C=C(CC)C[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000540202097 388799949 /nfs/dbraw/zinc/79/99/49/388799949.db2.gz HRYSTJJSBGZYJP-NSHDSACASA-N 1 2 243.372 1.933 20 30 BDEDLO Cc1cc(N[C@@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000333427981 388814943 /nfs/dbraw/zinc/81/49/43/388814943.db2.gz KKQONMFBSWTTBM-LLVKDONJSA-N 1 2 217.272 1.275 20 30 BDEDLO C=CCN1CC[C@H]([NH+]2CC(C(F)(F)F)C2)C1=O ZINC000556218931 388870744 /nfs/dbraw/zinc/87/07/44/388870744.db2.gz WKYHDKFPZMGSHQ-VIFPVBQESA-N 1 2 248.248 1.267 20 30 BDEDLO C=CCN(CCC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565314465 388937613 /nfs/dbraw/zinc/93/76/13/388937613.db2.gz MZUJAIGOHODBOC-LLVKDONJSA-N 1 2 246.314 1.517 20 30 BDEDLO C=CCN(CCC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565314465 388937616 /nfs/dbraw/zinc/93/76/16/388937616.db2.gz MZUJAIGOHODBOC-LLVKDONJSA-N 1 2 246.314 1.517 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000565483777 388948562 /nfs/dbraw/zinc/94/85/62/388948562.db2.gz OUUILGBNCFFGCH-WDEREUQCSA-N 1 2 244.360 1.188 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000565483777 388948565 /nfs/dbraw/zinc/94/85/65/388948565.db2.gz OUUILGBNCFFGCH-WDEREUQCSA-N 1 2 244.360 1.188 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1ccc(C#N)nc1)CC2 ZINC000359903796 132300484 /nfs/dbraw/zinc/30/04/84/132300484.db2.gz SVRWAHAFWHTXFQ-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO Cc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284472172 133563039 /nfs/dbraw/zinc/56/30/39/133563039.db2.gz RIMLKOHEXFRCJJ-LBPRGKRZSA-N 1 2 234.299 1.963 20 30 BDEDLO C[N@H+](CCc1cnccn1)CC1(C#N)CC1 ZINC000329212669 133962308 /nfs/dbraw/zinc/96/23/08/133962308.db2.gz ICCZBEJKALNXNX-UHFFFAOYSA-N 1 2 216.288 1.255 20 30 BDEDLO C[N@@H+](CCc1cnccn1)CC1(C#N)CC1 ZINC000329212669 133962309 /nfs/dbraw/zinc/96/23/09/133962309.db2.gz ICCZBEJKALNXNX-UHFFFAOYSA-N 1 2 216.288 1.255 20 30 BDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C)C#N)cn2c1 ZINC000335999044 134043937 /nfs/dbraw/zinc/04/39/37/134043937.db2.gz ITSKNPVROVZFRG-SNVBAGLBSA-N 1 2 242.282 1.419 20 30 BDEDLO C[C@H]1OCC[N@H+](CC2(C#N)CCC2)[C@@H]1C ZINC000336195788 134125946 /nfs/dbraw/zinc/12/59/46/134125946.db2.gz DSYIHPVVZDMRRK-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H]1OCC[N@@H+](CC2(C#N)CCC2)[C@@H]1C ZINC000336195788 134125947 /nfs/dbraw/zinc/12/59/47/134125947.db2.gz DSYIHPVVZDMRRK-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 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ZINC000368880995 134220789 /nfs/dbraw/zinc/22/07/89/134220789.db2.gz WKYMZBRAXZHMQC-MNOVXSKESA-N 1 2 246.314 1.206 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369009243 134221470 /nfs/dbraw/zinc/22/14/70/134221470.db2.gz KXIZHLKNSZVVPT-JTQLQIEISA-N 1 2 249.274 1.342 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369009243 134221471 /nfs/dbraw/zinc/22/14/71/134221471.db2.gz KXIZHLKNSZVVPT-JTQLQIEISA-N 1 2 249.274 1.342 20 30 BDEDLO C#CCCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000370751270 134226841 /nfs/dbraw/zinc/22/68/41/134226841.db2.gz XKPFNMWZIVBEPK-UHFFFAOYSA-N 1 2 240.310 1.905 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1 ZINC000304913213 134238675 /nfs/dbraw/zinc/23/86/75/134238675.db2.gz WTBLDUPDZFZGSS-STQMWFEESA-N 1 2 248.326 1.660 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000304913213 134238676 /nfs/dbraw/zinc/23/86/76/134238676.db2.gz WTBLDUPDZFZGSS-STQMWFEESA-N 1 2 248.326 1.660 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000375230495 134238776 /nfs/dbraw/zinc/23/87/76/134238776.db2.gz UWZKLUKGEMVION-NWDGAFQWSA-N 1 2 236.315 1.360 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000375230495 134238777 /nfs/dbraw/zinc/23/87/77/134238777.db2.gz UWZKLUKGEMVION-NWDGAFQWSA-N 1 2 236.315 1.360 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000375799503 134240810 /nfs/dbraw/zinc/24/08/10/134240810.db2.gz VZJJAPRUIZMCSR-JTQLQIEISA-N 1 2 234.303 1.296 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000375799503 134240811 /nfs/dbraw/zinc/24/08/11/134240811.db2.gz VZJJAPRUIZMCSR-JTQLQIEISA-N 1 2 234.303 1.296 20 30 BDEDLO N#C[C@H]1COCCN1Cc1c[nH+]c2ccccn12 ZINC000177330834 134299384 /nfs/dbraw/zinc/29/93/84/134299384.db2.gz UPYTYXSSKFRRRB-NSHDSACASA-N 1 2 242.282 1.059 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](CC)C[C@H](C)C#N)C1=O ZINC000337132906 135001559 /nfs/dbraw/zinc/00/15/59/135001559.db2.gz KNAJCDOPYKPJTL-VXGBXAGGSA-N 1 2 235.331 1.255 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](CC)C[C@H](C)C#N)C1=O ZINC000337132906 135001560 /nfs/dbraw/zinc/00/15/60/135001560.db2.gz KNAJCDOPYKPJTL-VXGBXAGGSA-N 1 2 235.331 1.255 20 30 BDEDLO C=CC[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337209638 135007127 /nfs/dbraw/zinc/00/71/27/135007127.db2.gz SJIGCILEDACGRN-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO C=CC[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337209638 135007128 /nfs/dbraw/zinc/00/71/28/135007128.db2.gz SJIGCILEDACGRN-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)C#N)CCC2 ZINC000337623340 135020914 /nfs/dbraw/zinc/02/09/14/135020914.db2.gz IARRUIRDMUXCCK-ONGXEEELSA-N 1 2 246.314 1.345 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(C)C ZINC000249984059 135047748 /nfs/dbraw/zinc/04/77/48/135047748.db2.gz RYIKSIINHIIJBD-VXGBXAGGSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(C)C ZINC000249984059 135047750 /nfs/dbraw/zinc/04/77/50/135047750.db2.gz RYIKSIINHIIJBD-VXGBXAGGSA-N 1 2 239.363 1.629 20 30 BDEDLO C=CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092589 135057887 /nfs/dbraw/zinc/05/78/87/135057887.db2.gz VJEZAULOURFNNM-UHFFFAOYSA-N 1 2 222.244 1.918 20 30 BDEDLO C=CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092589 135057889 /nfs/dbraw/zinc/05/78/89/135057889.db2.gz VJEZAULOURFNNM-UHFFFAOYSA-N 1 2 222.244 1.918 20 30 BDEDLO COC[C@@H]1CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000339280199 135068421 /nfs/dbraw/zinc/06/84/21/135068421.db2.gz FZDAMHBOHPOYGN-MNOVXSKESA-N 1 2 207.277 1.151 20 30 BDEDLO COC[C@@H]1CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000339280199 135068422 /nfs/dbraw/zinc/06/84/22/135068422.db2.gz FZDAMHBOHPOYGN-MNOVXSKESA-N 1 2 207.277 1.151 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000339751197 135080390 /nfs/dbraw/zinc/08/03/90/135080390.db2.gz ILZLWEPTXKAJQV-OLZOCXBDSA-N 1 2 236.359 1.636 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000339751197 135080392 /nfs/dbraw/zinc/08/03/92/135080392.db2.gz ILZLWEPTXKAJQV-OLZOCXBDSA-N 1 2 236.359 1.636 20 30 BDEDLO CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000268583239 135159601 /nfs/dbraw/zinc/15/96/01/135159601.db2.gz CNENEVFMLALVMU-UHFFFAOYSA-N 1 2 244.678 1.624 20 30 BDEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000297988701 135197476 /nfs/dbraw/zinc/19/74/76/135197476.db2.gz WVUQBCGVKHMECU-LLVKDONJSA-N 1 2 249.314 1.984 20 30 BDEDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)cc(C#N)n1 ZINC000342419719 135267939 /nfs/dbraw/zinc/26/79/39/135267939.db2.gz VORBCQWWLWNFGK-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO N#CC1(C[N@@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000334382271 135381258 /nfs/dbraw/zinc/38/12/58/135381258.db2.gz KFTUMDUUJRQCQA-CQSZACIVSA-N 1 2 242.322 1.882 20 30 BDEDLO N#CC1(C[N@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000334382271 135381260 /nfs/dbraw/zinc/38/12/60/135381260.db2.gz KFTUMDUUJRQCQA-CQSZACIVSA-N 1 2 242.322 1.882 20 30 BDEDLO CC(C)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514759 135387316 /nfs/dbraw/zinc/38/73/16/135387316.db2.gz BAIAHRHOFCGDLS-UHFFFAOYSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514759 135387317 /nfs/dbraw/zinc/38/73/17/135387317.db2.gz BAIAHRHOFCGDLS-UHFFFAOYSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCC(=O)N[C@H]1CCC[N@H+](CCC#N)C1 ZINC000101565541 135586454 /nfs/dbraw/zinc/58/64/54/135586454.db2.gz VECIBBUEQDGJJH-NSHDSACASA-N 1 2 223.320 1.281 20 30 BDEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000101565541 135586457 /nfs/dbraw/zinc/58/64/57/135586457.db2.gz VECIBBUEQDGJJH-NSHDSACASA-N 1 2 223.320 1.281 20 30 BDEDLO CC(C)n1cc(C[NH+]2CCC(C#N)CC2)nn1 ZINC000347865370 136016437 /nfs/dbraw/zinc/01/64/37/136016437.db2.gz WVFNTBXURBGPKU-UHFFFAOYSA-N 1 2 233.319 1.595 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000335396704 136093136 /nfs/dbraw/zinc/09/31/36/136093136.db2.gz ZUCLKHSBMNZPHZ-DTWKUNHWSA-N 1 2 218.260 1.140 20 30 BDEDLO N#CC1(CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000590309470 397847873 /nfs/dbraw/zinc/84/78/73/397847873.db2.gz JVMBKRNETJTMFF-VIFPVBQESA-N 1 2 244.298 1.077 20 30 BDEDLO N#CC1(CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000590309470 397847876 /nfs/dbraw/zinc/84/78/76/397847876.db2.gz JVMBKRNETJTMFF-VIFPVBQESA-N 1 2 244.298 1.077 20 30 BDEDLO C=CCC[C@H]([NH2+]C1CSC1)C(=O)OCC ZINC000590661568 397909539 /nfs/dbraw/zinc/90/95/39/397909539.db2.gz ZCABVZZMCPFRDH-JTQLQIEISA-N 1 2 229.345 1.589 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000649529775 397919713 /nfs/dbraw/zinc/91/97/13/397919713.db2.gz UZBJDFGMKFTVIS-LLVKDONJSA-N 1 2 249.358 1.935 20 30 BDEDLO C[C@@H](NC(=O)NCCCC#N)c1[nH+]ccn1C ZINC000595579568 397990815 /nfs/dbraw/zinc/99/08/15/397990815.db2.gz JZXSBSSQZXROGF-SECBINFHSA-N 1 2 235.291 1.084 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC(C)(C)CC1=O ZINC000491616153 398048199 /nfs/dbraw/zinc/04/81/99/398048199.db2.gz ADIJEPMLKSAABU-JTQLQIEISA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC(C)(C)CC1=O ZINC000491616153 398048201 /nfs/dbraw/zinc/04/82/01/398048201.db2.gz ADIJEPMLKSAABU-JTQLQIEISA-N 1 2 208.305 1.156 20 30 BDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000598595149 398032088 /nfs/dbraw/zinc/03/20/88/398032088.db2.gz CEFZCEVFAFGYRB-NSHDSACASA-N 1 2 248.330 1.069 20 30 BDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000598595149 398032090 /nfs/dbraw/zinc/03/20/90/398032090.db2.gz CEFZCEVFAFGYRB-NSHDSACASA-N 1 2 248.330 1.069 20 30 BDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000598595149 398032093 /nfs/dbraw/zinc/03/20/93/398032093.db2.gz CEFZCEVFAFGYRB-NSHDSACASA-N 1 2 248.330 1.069 20 30 BDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000598595149 398032095 /nfs/dbraw/zinc/03/20/95/398032095.db2.gz CEFZCEVFAFGYRB-NSHDSACASA-N 1 2 248.330 1.069 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000491737567 398063836 /nfs/dbraw/zinc/06/38/36/398063836.db2.gz FFKWIHKUDOUEND-SKVAFPRGSA-N 1 2 231.299 1.396 20 30 BDEDLO C#CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000491640726 398052722 /nfs/dbraw/zinc/05/27/22/398052722.db2.gz YULXZTVZYUBHMA-JSGCOSHPSA-N 1 2 248.370 1.779 20 30 BDEDLO C#CC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000491640726 398052726 /nfs/dbraw/zinc/05/27/26/398052726.db2.gz YULXZTVZYUBHMA-JSGCOSHPSA-N 1 2 248.370 1.779 20 30 BDEDLO C#CC[N@H+](C)CC[S@](=O)c1ccccc1 ZINC000491655938 398055457 /nfs/dbraw/zinc/05/54/57/398055457.db2.gz SEYHAJGQOCLLCI-HNNXBMFYSA-N 1 2 221.325 1.359 20 30 BDEDLO C#CC[N@@H+](C)CC[S@](=O)c1ccccc1 ZINC000491655938 398055460 /nfs/dbraw/zinc/05/54/60/398055460.db2.gz SEYHAJGQOCLLCI-HNNXBMFYSA-N 1 2 221.325 1.359 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000279377493 166110452 /nfs/dbraw/zinc/11/04/52/166110452.db2.gz XQBCCGKWVUXVLU-SECBINFHSA-N 1 2 237.303 1.621 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000279377493 166110455 /nfs/dbraw/zinc/11/04/55/166110455.db2.gz XQBCCGKWVUXVLU-SECBINFHSA-N 1 2 237.303 1.621 20 30 BDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nccs1 ZINC000279157401 166110821 /nfs/dbraw/zinc/11/08/21/166110821.db2.gz AZPWOUVWPDTVGK-UHFFFAOYSA-N 1 2 237.328 1.425 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000279157401 166110822 /nfs/dbraw/zinc/11/08/22/166110822.db2.gz AZPWOUVWPDTVGK-UHFFFAOYSA-N 1 2 237.328 1.425 20 30 BDEDLO C=CC[N@H+](Cc1cnc[nH]1)[C@@H](C)COC ZINC000661239662 410400000 /nfs/dbraw/zinc/40/00/00/410400000.db2.gz INIJCHCRUULKEK-JTQLQIEISA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@@H+](Cc1cnc[nH]1)[C@@H](C)COC ZINC000661239662 410400004 /nfs/dbraw/zinc/40/00/04/410400004.db2.gz INIJCHCRUULKEK-JTQLQIEISA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@H+](Cc1c[nH]cn1)[C@@H](C)COC ZINC000661239662 410400011 /nfs/dbraw/zinc/40/00/11/410400011.db2.gz INIJCHCRUULKEK-JTQLQIEISA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@@H+](Cc1c[nH]cn1)[C@@H](C)COC ZINC000661239662 410400018 /nfs/dbraw/zinc/40/00/18/410400018.db2.gz INIJCHCRUULKEK-JTQLQIEISA-N 1 2 209.293 1.433 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nccn1C(C)C ZINC000267330215 166169569 /nfs/dbraw/zinc/16/95/69/166169569.db2.gz QNNDBIGAHKEDJW-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO C#CC[N@H+](CC)Cc1nccn1C(C)C ZINC000267330215 166169572 /nfs/dbraw/zinc/16/95/72/166169572.db2.gz QNNDBIGAHKEDJW-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO C#CCN(CC)Cc1[nH+]ccn1C(C)C ZINC000267330215 166169574 /nfs/dbraw/zinc/16/95/74/166169574.db2.gz QNNDBIGAHKEDJW-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO C=CCCCNC(=O)CCn1cc[nH+]c1 ZINC000279100130 166236635 /nfs/dbraw/zinc/23/66/35/166236635.db2.gz CPFFFXLVBFQKJZ-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264254779 166272702 /nfs/dbraw/zinc/27/27/02/166272702.db2.gz BUVAYDXLJOOUGF-JTQLQIEISA-N 1 2 237.303 1.018 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@@H](CC)C(=O)OCC ZINC000191098544 166341031 /nfs/dbraw/zinc/34/10/31/166341031.db2.gz WJKFSWIJMFEGFP-NSHDSACASA-N 1 2 229.320 1.463 20 30 BDEDLO C=CC[N@H+](CCOC)[C@@H](CC)C(=O)OCC ZINC000191098544 166341034 /nfs/dbraw/zinc/34/10/34/166341034.db2.gz WJKFSWIJMFEGFP-NSHDSACASA-N 1 2 229.320 1.463 20 30 BDEDLO C=CC[N@@H+](Cc1ncnn1CC)C1CC1 ZINC000278959129 166348779 /nfs/dbraw/zinc/34/87/79/166348779.db2.gz ZWBWPDQHCGXMSO-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268637943 166355823 /nfs/dbraw/zinc/35/58/23/166355823.db2.gz CYCKHFXCPAWXRD-GJZGRUSLSA-N 1 2 247.338 1.997 20 30 BDEDLO C=CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268637943 166355825 /nfs/dbraw/zinc/35/58/25/166355825.db2.gz CYCKHFXCPAWXRD-GJZGRUSLSA-N 1 2 247.338 1.997 20 30 BDEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000170695402 166362085 /nfs/dbraw/zinc/36/20/85/166362085.db2.gz LXEXCFJTAYAEPI-ZDUSSCGKSA-N 1 2 231.295 1.772 20 30 BDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000170695402 166362086 /nfs/dbraw/zinc/36/20/86/166362086.db2.gz LXEXCFJTAYAEPI-ZDUSSCGKSA-N 1 2 231.295 1.772 20 30 BDEDLO C=CCNC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000049800782 166366817 /nfs/dbraw/zinc/36/68/17/166366817.db2.gz SOAQBFQBHLXETB-UHFFFAOYSA-N 1 2 223.320 1.160 20 30 BDEDLO C=CCNC(=O)C[N@H+](CCC#N)CC(C)C ZINC000049800782 166366819 /nfs/dbraw/zinc/36/68/19/166366819.db2.gz SOAQBFQBHLXETB-UHFFFAOYSA-N 1 2 223.320 1.160 20 30 BDEDLO C=CCN(C)CC[N@@H+](CC)Cc1ncccc1O ZINC000653647379 411155921 /nfs/dbraw/zinc/15/59/21/411155921.db2.gz IWNMJYQSHNVLDA-UHFFFAOYSA-N 1 2 249.358 1.727 20 30 BDEDLO C=CCN(C)CC[N@H+](CC)Cc1ncccc1O ZINC000653647379 411155924 /nfs/dbraw/zinc/15/59/24/411155924.db2.gz IWNMJYQSHNVLDA-UHFFFAOYSA-N 1 2 249.358 1.727 20 30 BDEDLO C=CCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000656542973 411298901 /nfs/dbraw/zinc/29/89/01/411298901.db2.gz WNCYNAPGCMMOHZ-SNVBAGLBSA-N 1 2 222.292 1.147 20 30 BDEDLO CCC#C[C@H](C)[N@H+](C)Cc1cn(C)nn1 ZINC000661744315 411302038 /nfs/dbraw/zinc/30/20/38/411302038.db2.gz FQCHDZUWFLQKPN-JTQLQIEISA-N 1 2 206.293 1.049 20 30 BDEDLO CCC#C[C@H](C)[N@@H+](C)Cc1cn(C)nn1 ZINC000661744315 411302041 /nfs/dbraw/zinc/30/20/41/411302041.db2.gz FQCHDZUWFLQKPN-JTQLQIEISA-N 1 2 206.293 1.049 20 30 BDEDLO CC#CC[NH2+]Cc1cn(Cc2cccs2)nn1 ZINC000656432146 411249991 /nfs/dbraw/zinc/24/99/91/411249991.db2.gz ZPMXHNVOOXKAJS-UHFFFAOYSA-N 1 2 246.339 1.501 20 30 BDEDLO C=CCCn1cc(CNc2cccc[nH+]2)nn1 ZINC000656768512 411362516 /nfs/dbraw/zinc/36/25/16/411362516.db2.gz XTHPLFWIOQFUOB-UHFFFAOYSA-N 1 2 229.287 1.861 20 30 BDEDLO C=C(C)c1ccccc1[C@@H]1[NH2+]CCNC1=O ZINC000653510267 411416082 /nfs/dbraw/zinc/41/60/82/411416082.db2.gz VASQDJRXLBECKE-LBPRGKRZSA-N 1 2 216.284 1.480 20 30 BDEDLO C=CC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000659918767 411498313 /nfs/dbraw/zinc/49/83/13/411498313.db2.gz ZIQRYWJDYIPYGD-UHFFFAOYSA-N 1 2 206.293 1.245 20 30 BDEDLO CC#CC[N@H+](C)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000660646636 411611959 /nfs/dbraw/zinc/61/19/59/411611959.db2.gz KLEIHNPLKFKSKR-UHFFFAOYSA-N 1 2 233.315 1.418 20 30 BDEDLO CC#CC[N@@H+](C)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000660646636 411611960 /nfs/dbraw/zinc/61/19/60/411611960.db2.gz KLEIHNPLKFKSKR-UHFFFAOYSA-N 1 2 233.315 1.418 20 30 BDEDLO CCC#C[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847291 411656564 /nfs/dbraw/zinc/65/65/64/411656564.db2.gz PGIRSXWIBXFFOT-MRVPVSSYSA-N 1 2 209.249 1.009 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847291 411656567 /nfs/dbraw/zinc/65/65/67/411656567.db2.gz PGIRSXWIBXFFOT-MRVPVSSYSA-N 1 2 209.249 1.009 20 30 BDEDLO C=C(C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661047220 411693012 /nfs/dbraw/zinc/69/30/12/411693012.db2.gz IVLQCFRUSDZQOQ-UHFFFAOYSA-N 1 2 208.265 1.127 20 30 BDEDLO C=C(C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661047220 411693016 /nfs/dbraw/zinc/69/30/16/411693016.db2.gz IVLQCFRUSDZQOQ-UHFFFAOYSA-N 1 2 208.265 1.127 20 30 BDEDLO C=CC[N@@H+](Cc1cnnn1CC)[C@@H](C)COC ZINC000661239040 411739298 /nfs/dbraw/zinc/73/92/98/411739298.db2.gz BXJWOYBSCMVMQM-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1cnnn1CC)[C@@H](C)COC ZINC000661239040 411739302 /nfs/dbraw/zinc/73/93/02/411739302.db2.gz BXJWOYBSCMVMQM-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1nnc(C)o1)[C@@H](C)COC ZINC000661241368 411741641 /nfs/dbraw/zinc/74/16/41/411741641.db2.gz WPAMFDSIRNFAPD-VIFPVBQESA-N 1 2 225.292 1.401 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(C)o1)[C@@H](C)COC ZINC000661241368 411741644 /nfs/dbraw/zinc/74/16/44/411741644.db2.gz WPAMFDSIRNFAPD-VIFPVBQESA-N 1 2 225.292 1.401 20 30 BDEDLO C=CCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000665946459 487620573 /nfs/dbraw/zinc/62/05/73/487620573.db2.gz ZCGRWTKQIDPDLT-LLVKDONJSA-N 1 2 248.330 1.875 20 30 BDEDLO C=CCOCCCNc1cc(C)[nH+]cn1 ZINC000664386015 411937043 /nfs/dbraw/zinc/93/70/43/411937043.db2.gz NDLJUHSEXLGHBY-UHFFFAOYSA-N 1 2 207.277 1.790 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662259936 412052881 /nfs/dbraw/zinc/05/28/81/412052881.db2.gz FAVXNUCFVCHXMX-SNVBAGLBSA-N 1 2 241.360 1.605 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662259936 412052883 /nfs/dbraw/zinc/05/28/83/412052883.db2.gz FAVXNUCFVCHXMX-SNVBAGLBSA-N 1 2 241.360 1.605 20 30 BDEDLO CCn1ncnc1C[NH2+]Cc1cc(C#N)cs1 ZINC000355599101 172282438 /nfs/dbraw/zinc/28/24/38/172282438.db2.gz BNUCBUMGOAFZAR-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO CNc1ccc(Nc2cccc(C#N)n2)c[nH+]1 ZINC000339221504 173210097 /nfs/dbraw/zinc/21/00/97/173210097.db2.gz GFEJKASTEDTQQL-UHFFFAOYSA-N 1 2 225.255 1.555 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000179355586 173299021 /nfs/dbraw/zinc/29/90/21/173299021.db2.gz WZBYEGOMHHIFOH-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000179355586 173299022 /nfs/dbraw/zinc/29/90/22/173299022.db2.gz WZBYEGOMHHIFOH-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO COCC1(C#N)CC[NH+](Cc2ncccn2)CC1 ZINC000341988551 174084582 /nfs/dbraw/zinc/08/45/82/174084582.db2.gz IUDSAKAMJFWPMQ-UHFFFAOYSA-N 1 2 246.314 1.229 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000120511723 175376161 /nfs/dbraw/zinc/37/61/61/175376161.db2.gz QUFKIWIYYSWOFH-UHFFFAOYSA-N 1 2 242.238 1.542 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCNC(=O)C1 ZINC000189346699 176016487 /nfs/dbraw/zinc/01/64/87/176016487.db2.gz PRXIURZZNLCADZ-JTQLQIEISA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCNC(=O)C1 ZINC000189346699 176016489 /nfs/dbraw/zinc/01/64/89/176016489.db2.gz PRXIURZZNLCADZ-JTQLQIEISA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000189340678 176016853 /nfs/dbraw/zinc/01/68/53/176016853.db2.gz BKUVWHGROYZXLL-NSHDSACASA-N 1 2 216.284 1.951 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191203300 176301229 /nfs/dbraw/zinc/30/12/29/176301229.db2.gz OUGPVRFOQLJAQU-SNVBAGLBSA-N 1 2 219.288 1.117 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191203300 176301230 /nfs/dbraw/zinc/30/12/30/176301230.db2.gz OUGPVRFOQLJAQU-SNVBAGLBSA-N 1 2 219.288 1.117 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376958268 176551946 /nfs/dbraw/zinc/55/19/46/176551946.db2.gz OXXARXQVAMHGMV-MNOVXSKESA-N 1 2 246.314 1.064 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCNC(=O)C1 ZINC000189346721 177035818 /nfs/dbraw/zinc/03/58/18/177035818.db2.gz PRXIURZZNLCADZ-SNVBAGLBSA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCNC(=O)C1 ZINC000189346721 177035819 /nfs/dbraw/zinc/03/58/19/177035819.db2.gz PRXIURZZNLCADZ-SNVBAGLBSA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000127044609 177261823 /nfs/dbraw/zinc/26/18/23/177261823.db2.gz HRWOUPWDMFHNGH-AOOOYVTPSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000127044609 177261824 /nfs/dbraw/zinc/26/18/24/177261824.db2.gz HRWOUPWDMFHNGH-AOOOYVTPSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168762 177273469 /nfs/dbraw/zinc/27/34/69/177273469.db2.gz KYGOTXWHMQLDRR-QWRGUYRKSA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168762 177273470 /nfs/dbraw/zinc/27/34/70/177273470.db2.gz KYGOTXWHMQLDRR-QWRGUYRKSA-N 1 2 243.310 1.440 20 30 BDEDLO N#CCC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493210794 226156674 /nfs/dbraw/zinc/15/66/74/226156674.db2.gz XBTRUKQAULTVLL-OWOJBTEDSA-N 1 2 230.271 1.233 20 30 BDEDLO C[C@@H](NC(=O)c1cc(C#N)cn1C)c1[nH]cc[nH+]1 ZINC000557401897 322936915 /nfs/dbraw/zinc/93/69/15/322936915.db2.gz XFVOLQVFBPEKAH-MRVPVSSYSA-N 1 2 243.270 1.111 20 30 BDEDLO C=CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000557721192 322941451 /nfs/dbraw/zinc/94/14/51/322941451.db2.gz OSUFKYSRTQWORM-NSHDSACASA-N 1 2 221.304 1.744 20 30 BDEDLO Cc1cc(NC[C@@H]2CC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000398963484 267300339 /nfs/dbraw/zinc/30/03/39/267300339.db2.gz OWHORXDLWYYMQN-PWSUYJOCSA-N 1 2 231.299 1.257 20 30 BDEDLO C=C[C@@H]1CCCCN1c1nc[nH+]c2c1OCCN2 ZINC000665715278 487738192 /nfs/dbraw/zinc/73/81/92/487738192.db2.gz WFVQXMPOZSEFBH-SNVBAGLBSA-N 1 2 246.314 1.826 20 30 BDEDLO C=C[C@@H]1CCCCN1c1[nH+]cnc2c1OCCN2 ZINC000665715278 487738198 /nfs/dbraw/zinc/73/81/98/487738198.db2.gz WFVQXMPOZSEFBH-SNVBAGLBSA-N 1 2 246.314 1.826 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000674934005 487759354 /nfs/dbraw/zinc/75/93/54/487759354.db2.gz ONYATMSKUNCFAK-LLVKDONJSA-N 1 2 236.319 1.537 20 30 BDEDLO N#CCC1(Cn2cc(Cn3cc[nH+]c3)nn2)CC1 ZINC000594650722 487848451 /nfs/dbraw/zinc/84/84/51/487848451.db2.gz BWZNYNTYWRULSK-UHFFFAOYSA-N 1 2 242.286 1.217 20 30 BDEDLO C=CC[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000676504945 487858793 /nfs/dbraw/zinc/85/87/93/487858793.db2.gz HNVMOLPWRGGDMS-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO C=CC[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000676504945 487858796 /nfs/dbraw/zinc/85/87/96/487858796.db2.gz HNVMOLPWRGGDMS-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO CCc1nnc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595609949 487871510 /nfs/dbraw/zinc/87/15/10/487871510.db2.gz QPEIZYUZHUQYFQ-SNVBAGLBSA-N 1 2 234.303 1.758 20 30 BDEDLO CCc1nnc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595609949 487871516 /nfs/dbraw/zinc/87/15/16/487871516.db2.gz QPEIZYUZHUQYFQ-SNVBAGLBSA-N 1 2 234.303 1.758 20 30 BDEDLO CC(C)SCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569367481 322964789 /nfs/dbraw/zinc/96/47/89/322964789.db2.gz DBGMDUZIDKYJMB-LLVKDONJSA-N 1 2 243.376 1.088 20 30 BDEDLO CN(CCC#N)Cc1c[nH+]c2ccccn12 ZINC000160940647 323139630 /nfs/dbraw/zinc/13/96/30/323139630.db2.gz VOPPNMIAJKFMBU-UHFFFAOYSA-N 1 2 214.272 1.680 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCC(C)(C)C ZINC000571579018 323148442 /nfs/dbraw/zinc/14/84/42/323148442.db2.gz GDJZUWIDRNDFBS-LLVKDONJSA-N 1 2 239.363 1.821 20 30 BDEDLO Cc1cc(NC(=O)CSCC#N)c(C)c[nH+]1 ZINC000535036093 323164213 /nfs/dbraw/zinc/16/42/13/323164213.db2.gz KFUUQFGGZXBDDQ-UHFFFAOYSA-N 1 2 235.312 1.316 20 30 BDEDLO C=C(CC)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000309125283 323318157 /nfs/dbraw/zinc/31/81/57/323318157.db2.gz PIGDHQJMLLSHHH-GFCCVEGCSA-N 1 2 211.305 1.884 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000121392128 324009918 /nfs/dbraw/zinc/00/99/18/324009918.db2.gz BATZLNYXVQPKJN-UHFFFAOYSA-N 1 2 206.289 1.932 20 30 BDEDLO C=CC[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000121392128 324009919 /nfs/dbraw/zinc/00/99/19/324009919.db2.gz BATZLNYXVQPKJN-UHFFFAOYSA-N 1 2 206.289 1.932 20 30 BDEDLO CC#CCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000546645794 325297730 /nfs/dbraw/zinc/29/77/30/325297730.db2.gz WDYTVZFGZXHFGX-UHFFFAOYSA-N 1 2 231.299 1.460 20 30 BDEDLO CC1(C#N)CN(CCCC[NH+]2CC(C)(C#N)C2)C1 ZINC000567402008 326184007 /nfs/dbraw/zinc/18/40/07/326184007.db2.gz GLMUWKBOVNWNQM-UHFFFAOYSA-N 1 2 246.358 1.458 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccs1 ZINC000567419564 326187583 /nfs/dbraw/zinc/18/75/83/326187583.db2.gz GWTUDPMNSZXVBD-NSHDSACASA-N 1 2 237.328 1.322 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccs1 ZINC000567419563 326187661 /nfs/dbraw/zinc/18/76/61/326187661.db2.gz GWTUDPMNSZXVBD-LLVKDONJSA-N 1 2 237.328 1.322 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568197925 326324845 /nfs/dbraw/zinc/32/48/45/326324845.db2.gz NDIBXMPGEHFXRA-SNVBAGLBSA-N 1 2 237.347 1.383 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000568518440 326362383 /nfs/dbraw/zinc/36/23/83/326362383.db2.gz CSSRCVJRXLMMQM-RULNRJAQSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000568518440 326362384 /nfs/dbraw/zinc/36/23/84/326362384.db2.gz CSSRCVJRXLMMQM-RULNRJAQSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000568518438 326362095 /nfs/dbraw/zinc/36/20/95/326362095.db2.gz CSSRCVJRXLMMQM-GPCCPHFNSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000568518438 326362098 /nfs/dbraw/zinc/36/20/98/326362098.db2.gz CSSRCVJRXLMMQM-GPCCPHFNSA-N 1 2 214.334 1.131 20 30 BDEDLO Cn1cc([C@H]([NH2+]CCC#N)C2(CO)CCC2)cn1 ZINC000573206585 326435336 /nfs/dbraw/zinc/43/53/36/326435336.db2.gz FYROWCCRTBZPGH-LBPRGKRZSA-N 1 2 248.330 1.127 20 30 BDEDLO C=C(C)C[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000425590275 488013381 /nfs/dbraw/zinc/01/33/81/488013381.db2.gz RDPXGNDPVSIUAX-UHFFFAOYSA-N 1 2 238.287 1.862 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nccn1C(F)F ZINC000677477772 488047233 /nfs/dbraw/zinc/04/72/33/488047233.db2.gz XBWHMPFVLIZMFP-SECBINFHSA-N 1 2 245.273 1.647 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nccn1C(F)F ZINC000677477772 488047239 /nfs/dbraw/zinc/04/72/39/488047239.db2.gz XBWHMPFVLIZMFP-SECBINFHSA-N 1 2 245.273 1.647 20 30 BDEDLO C=C(C)CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081530 488067403 /nfs/dbraw/zinc/06/74/03/488067403.db2.gz CBHTUOOAWWRQEI-UHFFFAOYSA-N 1 2 234.303 1.267 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682549523 488117759 /nfs/dbraw/zinc/11/77/59/488117759.db2.gz YNJHRMPWUQMUFG-VHSXEESVSA-N 1 2 235.274 1.015 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682549523 488117764 /nfs/dbraw/zinc/11/77/64/488117764.db2.gz YNJHRMPWUQMUFG-VHSXEESVSA-N 1 2 235.274 1.015 20 30 BDEDLO COCC#CC[NH+]1Cc2ccccc2C1 ZINC000677816799 488130457 /nfs/dbraw/zinc/13/04/57/488130457.db2.gz AOKSKBSDIQHXED-UHFFFAOYSA-N 1 2 201.269 1.652 20 30 BDEDLO C=CC[C@H]1CCCN(c2nc[nH+]c(N)c2OC)C1 ZINC000664257239 487471374 /nfs/dbraw/zinc/47/13/74/487471374.db2.gz XCMUWHKGULHCFZ-JTQLQIEISA-N 1 2 248.330 1.860 20 30 BDEDLO C=CC[C@H]1CCCN(c2[nH+]cnc(N)c2OC)C1 ZINC000664257239 487471378 /nfs/dbraw/zinc/47/13/78/487471378.db2.gz XCMUWHKGULHCFZ-JTQLQIEISA-N 1 2 248.330 1.860 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000339757919 487489492 /nfs/dbraw/zinc/48/94/92/487489492.db2.gz XXPGMSUXTJMBBR-GFCCVEGCSA-N 1 2 248.370 1.731 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000339757919 487489497 /nfs/dbraw/zinc/48/94/97/487489497.db2.gz XXPGMSUXTJMBBR-GFCCVEGCSA-N 1 2 248.370 1.731 20 30 BDEDLO C=C[C@H]([NH2+][C@@H](C)CC(C)(C)OC)C(=O)OC ZINC000309634409 490045014 /nfs/dbraw/zinc/04/50/14/490045014.db2.gz IYXJMVGTGLXYFW-UWVGGRQHSA-N 1 2 229.320 1.507 20 30 BDEDLO C=C[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000678097229 488197477 /nfs/dbraw/zinc/19/74/77/488197477.db2.gz UYLSKUKLIJFHCS-VIFPVBQESA-N 1 2 219.288 1.816 20 30 BDEDLO C=CCNC(=O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000679004617 488302227 /nfs/dbraw/zinc/30/22/27/488302227.db2.gz DDYYFGMYBPXRER-UHFFFAOYSA-N 1 2 248.330 1.488 20 30 BDEDLO C#C[C@@H]1COCCN1Cc1cccc2[nH+]ccn21 ZINC000491662792 491080028 /nfs/dbraw/zinc/08/00/28/491080028.db2.gz GBEQFNANGOOEMR-GFCCVEGCSA-N 1 2 241.294 1.168 20 30 BDEDLO Cc1nc(N2CC(CC#N)C2)c(C)c(C)[nH+]1 ZINC000596434242 491081430 /nfs/dbraw/zinc/08/14/30/491081430.db2.gz XLDRLMPPZSDHEN-UHFFFAOYSA-N 1 2 216.288 1.752 20 30 BDEDLO C[C@H]([NH2+]CC(F)(F)CO)c1cccc(C#N)c1 ZINC000184712628 491120694 /nfs/dbraw/zinc/12/06/94/491120694.db2.gz FSBVOICOIQLJOZ-VIFPVBQESA-N 1 2 240.253 1.836 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000281953831 491120787 /nfs/dbraw/zinc/12/07/87/491120787.db2.gz IGDVYGSTFMZJMI-LLVKDONJSA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000281953831 491120788 /nfs/dbraw/zinc/12/07/88/491120788.db2.gz IGDVYGSTFMZJMI-LLVKDONJSA-N 1 2 219.288 1.116 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](CCC#N)CC(C)C ZINC000214621565 582488453 /nfs/dbraw/zinc/48/84/53/582488453.db2.gz YNXJDEZYPXWHJZ-SDQBBNPISA-N 1 2 238.331 1.977 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](CCC#N)CC(C)C ZINC000214621565 582488455 /nfs/dbraw/zinc/48/84/55/582488455.db2.gz YNXJDEZYPXWHJZ-SDQBBNPISA-N 1 2 238.331 1.977 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000251286664 535643278 /nfs/dbraw/zinc/64/32/78/535643278.db2.gz GYKKULNYMCGZGC-GRYCIOLGSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000251286664 535643290 /nfs/dbraw/zinc/64/32/90/535643290.db2.gz GYKKULNYMCGZGC-GRYCIOLGSA-N 1 2 239.363 1.771 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369045256 534436193 /nfs/dbraw/zinc/43/61/93/534436193.db2.gz GDKFNGMVDOFNSI-JTQLQIEISA-N 1 2 230.695 1.313 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369045256 534436202 /nfs/dbraw/zinc/43/62/02/534436202.db2.gz GDKFNGMVDOFNSI-JTQLQIEISA-N 1 2 230.695 1.313 20 30 BDEDLO C=C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000264467075 534465376 /nfs/dbraw/zinc/46/53/76/534465376.db2.gz MFUNLVCYWBJXRJ-CQSZACIVSA-N 1 2 249.358 1.693 20 30 BDEDLO C=C1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000341995671 534466020 /nfs/dbraw/zinc/46/60/20/534466020.db2.gz PYXNHVYPOKQTOS-UHFFFAOYSA-N 1 2 234.299 1.548 20 30 BDEDLO CC(C)(C)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000371328195 534604758 /nfs/dbraw/zinc/60/47/58/534604758.db2.gz SUALZNZYINUXEP-GFCCVEGCSA-N 1 2 221.348 1.705 20 30 BDEDLO CC(C)(C)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000371328195 534604760 /nfs/dbraw/zinc/60/47/60/534604760.db2.gz SUALZNZYINUXEP-GFCCVEGCSA-N 1 2 221.348 1.705 20 30 BDEDLO C=CCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000338643944 534618292 /nfs/dbraw/zinc/61/82/92/534618292.db2.gz IJUBKEDPNKSRRG-UHFFFAOYSA-N 1 2 229.283 1.917 20 30 BDEDLO C=CCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000175325622 534666072 /nfs/dbraw/zinc/66/60/72/534666072.db2.gz VQAJYUYUKRNKDB-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@](C)(CCC)C(=O)OC ZINC000128600104 534799665 /nfs/dbraw/zinc/79/96/65/534799665.db2.gz FLGYUDKFFKVVIJ-YPMHNXCESA-N 1 2 243.347 1.635 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)c1cccn1C ZINC000114724018 534828608 /nfs/dbraw/zinc/82/86/08/534828608.db2.gz QSDLAQNXNAJJJB-UHFFFAOYSA-N 1 2 218.300 1.882 20 30 BDEDLO C=CCN(CCOC)c1cc(C)[nH+]cn1 ZINC000302653520 534837022 /nfs/dbraw/zinc/83/70/22/534837022.db2.gz CGCRACSCJKUWNF-UHFFFAOYSA-N 1 2 207.277 1.424 20 30 BDEDLO C=CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336372717 534860129 /nfs/dbraw/zinc/86/01/29/534860129.db2.gz ZPJUDCVYKLRNAJ-SNVBAGLBSA-N 1 2 234.303 1.105 20 30 BDEDLO C=CCOC[C@H]([NH2+]CC1(C)CCC1)C(=O)OC ZINC000361113183 534880468 /nfs/dbraw/zinc/88/04/68/534880468.db2.gz KUMSMGMITARMAG-NSHDSACASA-N 1 2 241.331 1.510 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493270720 526606886 /nfs/dbraw/zinc/60/68/86/526606886.db2.gz XWXPVQVMNLEZDF-XNPJLODASA-N 1 2 232.287 1.477 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(CC)nc1 ZINC000491669010 526845299 /nfs/dbraw/zinc/84/52/99/526845299.db2.gz NGGKIUGYGSCCHJ-UHFFFAOYSA-N 1 2 212.296 1.712 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc2n[nH]c(C)c2c1 ZINC000490914313 526847436 /nfs/dbraw/zinc/84/74/36/526847436.db2.gz HHQYLOHJXPHQFM-UHFFFAOYSA-N 1 2 238.294 1.335 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1cccc(F)c1 ZINC000490677624 526864646 /nfs/dbraw/zinc/86/46/46/526864646.db2.gz LIPVPNGXGJORIC-HNNXBMFYSA-N 1 2 245.297 1.818 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1cccc(F)c1 ZINC000490677624 526864651 /nfs/dbraw/zinc/86/46/51/526864651.db2.gz LIPVPNGXGJORIC-HNNXBMFYSA-N 1 2 245.297 1.818 20 30 BDEDLO C=CC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493651960 526950477 /nfs/dbraw/zinc/95/04/77/526950477.db2.gz MUZUYGXLASLGOG-AATRIKPKSA-N 1 2 219.288 1.751 20 30 BDEDLO C=CC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492859216 526958673 /nfs/dbraw/zinc/95/86/73/526958673.db2.gz GGVUPZKXFVMNBB-ARJAWSKDSA-N 1 2 231.299 1.848 20 30 BDEDLO C=CCSCCNc1[nH+]cnc2c1cnn2C ZINC000194529751 527006134 /nfs/dbraw/zinc/00/61/34/527006134.db2.gz OVDWJOSZTBLRNS-UHFFFAOYSA-N 1 2 249.343 1.694 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000491695281 527311328 /nfs/dbraw/zinc/31/13/28/527311328.db2.gz MLPNJLJOBGFNBJ-HUUCEWRRSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000491695281 527311334 /nfs/dbraw/zinc/31/13/34/527311334.db2.gz MLPNJLJOBGFNBJ-HUUCEWRRSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@H](CCC)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000491428737 527369419 /nfs/dbraw/zinc/36/94/19/527369419.db2.gz QGPFEIOHUFMFDZ-LLVKDONJSA-N 1 2 248.330 1.064 20 30 BDEDLO C=C[C@@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000487309123 527402360 /nfs/dbraw/zinc/40/23/60/527402360.db2.gz VOFWLBHVFASXFG-LLVKDONJSA-N 1 2 236.319 1.489 20 30 BDEDLO C=CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493808739 527529940 /nfs/dbraw/zinc/52/99/40/527529940.db2.gz FZLKNHLHMGLVDU-AATRIKPKSA-N 1 2 217.272 1.600 20 30 BDEDLO C=CC[N@@H+](C)Cc1occc1C(=O)OC ZINC000494636140 527574528 /nfs/dbraw/zinc/57/45/28/527574528.db2.gz HFQMPZQGSMCTTM-UHFFFAOYSA-N 1 2 209.245 1.684 20 30 BDEDLO C=CC[N@H+](C)Cc1occc1C(=O)OC ZINC000494636140 527574531 /nfs/dbraw/zinc/57/45/31/527574531.db2.gz HFQMPZQGSMCTTM-UHFFFAOYSA-N 1 2 209.245 1.684 20 30 BDEDLO C=CC[N@@H+](C)CN1CC2(CCCC2)OC1=O ZINC000495569774 527575588 /nfs/dbraw/zinc/57/55/88/527575588.db2.gz DGOVFKVDTVTANS-UHFFFAOYSA-N 1 2 224.304 1.827 20 30 BDEDLO C=CC[N@H+](C)CN1CC2(CCCC2)OC1=O ZINC000495569774 527575594 /nfs/dbraw/zinc/57/55/94/527575594.db2.gz DGOVFKVDTVTANS-UHFFFAOYSA-N 1 2 224.304 1.827 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493456203 528687138 /nfs/dbraw/zinc/68/71/38/528687138.db2.gz RWYLABNDCUQXIS-UMCURTJPSA-N 1 2 232.287 1.431 20 30 BDEDLO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC#N)C1 ZINC000495488553 528983577 /nfs/dbraw/zinc/98/35/77/528983577.db2.gz WMCDQVPIFWWFTD-QWRGUYRKSA-N 1 2 239.319 1.357 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000356745104 534978933 /nfs/dbraw/zinc/97/89/33/534978933.db2.gz XJYGHFYPPNKYOM-GHMZBOCLSA-N 1 2 225.336 1.333 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000356745104 534978935 /nfs/dbraw/zinc/97/89/35/534978935.db2.gz XJYGHFYPPNKYOM-GHMZBOCLSA-N 1 2 225.336 1.333 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)CCn1cc[nH+]c1 ZINC000359775248 534999744 /nfs/dbraw/zinc/99/97/44/534999744.db2.gz ZDKQVYBTOQZFJA-UHFFFAOYSA-N 1 2 248.330 1.719 20 30 BDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352466403 535576620 /nfs/dbraw/zinc/57/66/20/535576620.db2.gz COUIHXCKVSGHBP-SNVBAGLBSA-N 1 2 241.310 1.229 20 30 BDEDLO CCn1nccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348708070 535868141 /nfs/dbraw/zinc/86/81/41/535868141.db2.gz KFFWDYRERZOVMK-UHFFFAOYSA-N 1 2 236.294 1.731 20 30 BDEDLO CC[C@H](CC#N)NC(=O)CCn1cc[nH+]c1 ZINC000273864020 536050228 /nfs/dbraw/zinc/05/02/28/536050228.db2.gz MXLVPRRVBAKTLB-SNVBAGLBSA-N 1 2 220.276 1.082 20 30 BDEDLO CC[C@H](CC#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356076947 536050252 /nfs/dbraw/zinc/05/02/52/536050252.db2.gz LMRXSNAMFPAADR-SECBINFHSA-N 1 2 220.276 1.151 20 30 BDEDLO CC[C@H](CC#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356076947 536050256 /nfs/dbraw/zinc/05/02/56/536050256.db2.gz LMRXSNAMFPAADR-SECBINFHSA-N 1 2 220.276 1.151 20 30 BDEDLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000336223781 536085745 /nfs/dbraw/zinc/08/57/45/536085745.db2.gz VTRGACVPQQJVCP-TVQRCGJNSA-N 1 2 229.283 1.554 20 30 BDEDLO CN(C)c1[nH+]cc(CNCC(C)(C)C#N)n1C ZINC000122222454 536161514 /nfs/dbraw/zinc/16/15/14/536161514.db2.gz VLZFGNDZNHCIAI-UHFFFAOYSA-N 1 2 235.335 1.125 20 30 BDEDLO CN(CCC#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336563058 536297442 /nfs/dbraw/zinc/29/74/42/536297442.db2.gz ZCRBQXYXRDNKRA-VIFPVBQESA-N 1 2 232.287 1.202 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CCC#N)n(C)c1C ZINC000310317518 536885640 /nfs/dbraw/zinc/88/56/40/536885640.db2.gz XWHSEHWPIVGZSZ-UHFFFAOYSA-N 1 2 235.287 1.123 20 30 BDEDLO COCCOc1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000893545418 583161214 /nfs/dbraw/zinc/16/12/14/583161214.db2.gz SDZSZWQDTYFYCH-JTQLQIEISA-N 1 2 238.287 1.554 20 30 BDEDLO CC#CCn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000852962054 588714857 /nfs/dbraw/zinc/71/48/57/588714857.db2.gz BHCZREDMGNRQFD-ZDUSSCGKSA-N 1 2 247.342 1.526 20 30 BDEDLO CC#CCn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000852962054 588714858 /nfs/dbraw/zinc/71/48/58/588714858.db2.gz BHCZREDMGNRQFD-ZDUSSCGKSA-N 1 2 247.342 1.526 20 30 BDEDLO Cn1c[nH+]c(/C=C2/CCn3nccc3C2=O)c1 ZINC000853009046 588715181 /nfs/dbraw/zinc/71/51/81/588715181.db2.gz DGTYESSTGBXJJV-TWGQIWQCSA-N 1 2 228.255 1.287 20 30 BDEDLO CCC(CC)NN=Cc1c[nH+]c2n1CCC2 ZINC000853308742 588731898 /nfs/dbraw/zinc/73/18/98/588731898.db2.gz UGONEIDSOAULGD-UHFFFAOYSA-N 1 2 220.320 1.941 20 30 BDEDLO FC(F)CON=Cc1c[nH+]c2n1CCC2 ZINC000853333081 588734134 /nfs/dbraw/zinc/73/41/34/588734134.db2.gz BLIMRBNGMYDLGM-UHFFFAOYSA-N 1 2 215.203 1.445 20 30 BDEDLO C(=NOC[C@@H]1CCOC1)c1c[nH+]c2n1CCC2 ZINC000853337807 588734914 /nfs/dbraw/zinc/73/49/14/588734914.db2.gz UFHWUOBBQFEOKJ-SNVBAGLBSA-N 1 2 235.287 1.216 20 30 BDEDLO CC[C@@H]1CC(=NNCCCn2cc[nH+]c2)CO1 ZINC000853372361 588738786 /nfs/dbraw/zinc/73/87/86/588738786.db2.gz LHZVHMFBPWCBJN-GFCCVEGCSA-N 1 2 236.319 1.418 20 30 BDEDLO C=C(Cl)CON=C(N)C[NH+]1CCSCC1 ZINC000853688042 588756646 /nfs/dbraw/zinc/75/66/46/588756646.db2.gz CZQMRIWYGHNNEI-UHFFFAOYSA-N 1 2 249.767 1.286 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854079023 588774108 /nfs/dbraw/zinc/77/41/08/588774108.db2.gz UHBXJBAHEQSQNN-ZJUUUORDSA-N 1 2 232.287 1.039 20 30 BDEDLO C=C(C)CONC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000854220014 588779991 /nfs/dbraw/zinc/77/99/91/588779991.db2.gz XMWMDFBBGOWVTC-SECBINFHSA-N 1 2 238.291 1.288 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000854692744 588801910 /nfs/dbraw/zinc/80/19/10/588801910.db2.gz GOGCBTSRXMWOHN-WCQYABFASA-N 1 2 233.315 1.752 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000854696577 588802632 /nfs/dbraw/zinc/80/26/32/588802632.db2.gz HYJQNCXILWIWCQ-AWEZNQCLSA-N 1 2 241.294 1.866 20 30 BDEDLO C#CCCCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135240 588823418 /nfs/dbraw/zinc/82/34/18/588823418.db2.gz GJMHBZBIRAZITE-UHFFFAOYSA-N 1 2 233.315 1.952 20 30 BDEDLO C#CCCCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135240 588823419 /nfs/dbraw/zinc/82/34/19/588823419.db2.gz GJMHBZBIRAZITE-UHFFFAOYSA-N 1 2 233.315 1.952 20 30 BDEDLO C[C@H]1CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000113243130 588828104 /nfs/dbraw/zinc/82/81/04/588828104.db2.gz CQYGMXPOFSZHHF-JTQLQIEISA-N 1 2 221.304 1.048 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000890551201 582472734 /nfs/dbraw/zinc/47/27/34/582472734.db2.gz XURQNQZAUXULSA-CMPLNLGQSA-N 1 2 233.315 1.765 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000890551201 582472735 /nfs/dbraw/zinc/47/27/35/582472735.db2.gz XURQNQZAUXULSA-CMPLNLGQSA-N 1 2 233.315 1.765 20 30 BDEDLO C#CCCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000859668766 582490347 /nfs/dbraw/zinc/49/03/47/582490347.db2.gz HQLZSEFRMMJVBF-GFCCVEGCSA-N 1 2 245.326 1.284 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000890654694 582493506 /nfs/dbraw/zinc/49/35/06/582493506.db2.gz GKVUFYCJRRMCOF-QWHCGFSZSA-N 1 2 245.326 1.849 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891729620 582714764 /nfs/dbraw/zinc/71/47/64/582714764.db2.gz UKAQIBJYJYAZLJ-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000891729620 582714765 /nfs/dbraw/zinc/71/47/65/582714765.db2.gz UKAQIBJYJYAZLJ-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO C[C@H](CC#N)N(C)Cc1[nH+]ccn1C1CC1 ZINC000891933852 582739636 /nfs/dbraw/zinc/73/96/36/582739636.db2.gz NENUZFPLIDFYRS-SNVBAGLBSA-N 1 2 218.304 1.952 20 30 BDEDLO C=C(C)CONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848245361 582750531 /nfs/dbraw/zinc/75/05/31/582750531.db2.gz XDDGSHXBBQGBFX-SECBINFHSA-N 1 2 223.276 1.212 20 30 BDEDLO C=C(C)CONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848245361 582750532 /nfs/dbraw/zinc/75/05/32/582750532.db2.gz XDDGSHXBBQGBFX-SECBINFHSA-N 1 2 223.276 1.212 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNc1ccnc(F)c1 ZINC000781132101 582851057 /nfs/dbraw/zinc/85/10/57/582851057.db2.gz IOJOFINXPAZESD-UHFFFAOYSA-N 1 2 219.223 1.698 20 30 BDEDLO Cc1cn2ccc(NC(=O)C#CC3CC3)cc2[nH+]1 ZINC000856287987 588867551 /nfs/dbraw/zinc/86/75/51/588867551.db2.gz LIKKZSXVTHHGEL-UHFFFAOYSA-N 1 2 239.278 1.995 20 30 BDEDLO C=CCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856278120 588866658 /nfs/dbraw/zinc/86/66/58/588866658.db2.gz XUFKFYFUPWZFIB-JTQLQIEISA-N 1 2 221.304 1.954 20 30 BDEDLO C[C@@H](NC(=O)C#CC1CC1)c1[nH+]ccn1C ZINC000856280632 588866918 /nfs/dbraw/zinc/86/69/18/588866918.db2.gz VVKDIFRWTNJPRN-SECBINFHSA-N 1 2 217.272 1.011 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1C ZINC000892765340 582978079 /nfs/dbraw/zinc/97/80/79/582978079.db2.gz UHYXKGRGMNKBCK-NSHDSACASA-N 1 2 246.314 1.117 20 30 BDEDLO 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ZINC000878821194 583405224 /nfs/dbraw/zinc/40/52/24/583405224.db2.gz SQZZTUIBYXYSAJ-SNVBAGLBSA-N 1 2 232.287 1.220 20 30 BDEDLO C#C[C@H]1CCCN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000894427859 583457165 /nfs/dbraw/zinc/45/71/65/583457165.db2.gz PNOOKEBJTMXRBR-VIFPVBQESA-N 1 2 243.314 1.181 20 30 BDEDLO C#C[C@H]1CCCN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000894427859 583457167 /nfs/dbraw/zinc/45/71/67/583457167.db2.gz PNOOKEBJTMXRBR-VIFPVBQESA-N 1 2 243.314 1.181 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)ccnc1N ZINC000894468763 583468702 /nfs/dbraw/zinc/46/87/02/583468702.db2.gz CPNXJVGEBKTCSQ-SNVBAGLBSA-N 1 2 218.304 1.754 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000894573725 583486496 /nfs/dbraw/zinc/48/64/96/583486496.db2.gz GKGDFIAJPRZCCG-SNVBAGLBSA-N 1 2 249.383 1.663 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000894573725 583486499 /nfs/dbraw/zinc/48/64/99/583486499.db2.gz GKGDFIAJPRZCCG-SNVBAGLBSA-N 1 2 249.383 1.663 20 30 BDEDLO C=C[C@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC000894622703 583496353 /nfs/dbraw/zinc/49/63/53/583496353.db2.gz AOEJXTZAYPOIGT-SNVBAGLBSA-N 1 2 221.304 1.560 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894829113 583527011 /nfs/dbraw/zinc/52/70/11/583527011.db2.gz XBNQJNUTFWGLQH-VXGBXAGGSA-N 1 2 248.326 1.975 20 30 BDEDLO C=C1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000894913243 583554679 /nfs/dbraw/zinc/55/46/79/583554679.db2.gz LVZBUJNVSGRAQM-UHFFFAOYSA-N 1 2 234.303 1.282 20 30 BDEDLO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1n[nH]c(=O)n1C ZINC000895178722 583616803 /nfs/dbraw/zinc/61/68/03/583616803.db2.gz XRPMASUYHSDCEY-GUBZILKMSA-N 1 2 249.318 1.254 20 30 BDEDLO Cc1ccnc(N)c1C[NH+]1CC(CC#N)C1 ZINC000895253144 583633527 /nfs/dbraw/zinc/63/35/27/583633527.db2.gz BRFQCCVRLSTTGU-UHFFFAOYSA-N 1 2 216.288 1.318 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000895253140 583633944 /nfs/dbraw/zinc/63/39/44/583633944.db2.gz BQDANPBIUXMEEA-UHFFFAOYSA-N 1 2 244.250 1.731 20 30 BDEDLO CN1CC[N@H+](Cc2csc(C#N)c2)CCC1=O ZINC000895401290 583665416 /nfs/dbraw/zinc/66/54/16/583665416.db2.gz ORKKKIOKZRDLEH-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO CN1CC[N@@H+](Cc2csc(C#N)c2)CCC1=O ZINC000895401290 583665417 /nfs/dbraw/zinc/66/54/17/583665417.db2.gz ORKKKIOKZRDLEH-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO C=CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895471878 583680161 /nfs/dbraw/zinc/68/01/61/583680161.db2.gz AMYJSJGFVPCWNM-UHFFFAOYSA-N 1 2 207.277 1.229 20 30 BDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000895846629 583735891 /nfs/dbraw/zinc/73/58/91/583735891.db2.gz XXIMTYCBGBOMHU-UHFFFAOYSA-N 1 2 249.314 1.319 20 30 BDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)o1 ZINC000857979698 588927570 /nfs/dbraw/zinc/92/75/70/588927570.db2.gz YZZJPNQIACHBBW-SECBINFHSA-N 1 2 242.238 1.223 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986506 588929547 /nfs/dbraw/zinc/92/95/47/588929547.db2.gz VZGGLZBAZUHURD-MNOVXSKESA-N 1 2 249.314 1.425 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)C(C)(C)C#N)CCN2 ZINC000857996533 588930028 /nfs/dbraw/zinc/93/00/28/588930028.db2.gz DCJXCGNAWQHCBO-UHFFFAOYSA-N 1 2 244.298 1.698 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H](C)C#N)CCN2 ZINC000857997326 588930496 /nfs/dbraw/zinc/93/04/96/588930496.db2.gz KDXDBGHXPLHULM-SECBINFHSA-N 1 2 230.271 1.308 20 30 BDEDLO CCn1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(C)n1 ZINC000896500725 583807126 /nfs/dbraw/zinc/80/71/26/583807126.db2.gz JDUPFQDOIPPVSZ-GFCCVEGCSA-N 1 2 232.331 1.947 20 30 BDEDLO CCn1cc(C[N@H+]2CCC[C@H](C#N)C2)c(C)n1 ZINC000896500725 583807127 /nfs/dbraw/zinc/80/71/27/583807127.db2.gz JDUPFQDOIPPVSZ-GFCCVEGCSA-N 1 2 232.331 1.947 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@H+](C)CCO3)n2)C1 ZINC000896876084 583843511 /nfs/dbraw/zinc/84/35/11/583843511.db2.gz BKDGDXTZQIVDBP-JTQLQIEISA-N 1 2 235.287 1.506 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@@H+](C)CCO3)n2)C1 ZINC000896876084 583843513 /nfs/dbraw/zinc/84/35/13/583843513.db2.gz BKDGDXTZQIVDBP-JTQLQIEISA-N 1 2 235.287 1.506 20 30 BDEDLO C#CCSCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000897295160 583911633 /nfs/dbraw/zinc/91/16/33/583911633.db2.gz LABBLQONYNADRQ-SNVBAGLBSA-N 1 2 249.339 1.440 20 30 BDEDLO C#CCSCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000897295159 583911846 /nfs/dbraw/zinc/91/18/46/583911846.db2.gz LABBLQONYNADRQ-JTQLQIEISA-N 1 2 249.339 1.440 20 30 BDEDLO O=C1C=C([NH2+]Nc2ccccc2F)[C@@H]2CCCN12 ZINC000799476471 583960670 /nfs/dbraw/zinc/96/06/70/583960670.db2.gz JQFMNVUUCARRES-LBPRGKRZSA-N 1 2 247.273 1.988 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898629811 584147032 /nfs/dbraw/zinc/14/70/32/584147032.db2.gz TYGIIQVBGRRUOA-VIFPVBQESA-N 1 2 222.292 1.184 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000898809594 584160001 /nfs/dbraw/zinc/16/00/01/584160001.db2.gz BTABSRPQVZHOOS-JTQLQIEISA-N 1 2 231.299 1.800 20 30 BDEDLO O=C1C[C@H](CC/[NH+]=C/c2cccc(O)c2O)CN1 ZINC000899225386 584184740 /nfs/dbraw/zinc/18/47/40/584184740.db2.gz ABPYSRPRDAEFSW-PFMRQGHBSA-N 1 2 248.282 1.043 20 30 BDEDLO C#CCCc1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000899355651 584201602 /nfs/dbraw/zinc/20/16/02/584201602.db2.gz CAKZKMOZJYATEX-UHFFFAOYSA-N 1 2 244.298 1.275 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2cnn(C)c2C)c1 ZINC000899367372 584208363 /nfs/dbraw/zinc/20/83/63/584208363.db2.gz ZZVZDLVUYCVVOR-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000899900020 584248008 /nfs/dbraw/zinc/24/80/08/584248008.db2.gz GGIHNHBKCBKADM-AWEZNQCLSA-N 1 2 233.311 1.436 20 30 BDEDLO C=C1C[NH+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC000899900236 584248611 /nfs/dbraw/zinc/24/86/11/584248611.db2.gz MMNQXEWHCSWWMR-GFCCVEGCSA-N 1 2 225.332 1.304 20 30 BDEDLO C=C1C[NH+](CCC(=O)Nc2cccnc2)C1 ZINC000899900148 584249139 /nfs/dbraw/zinc/24/91/39/584249139.db2.gz JPLNDBITGHDEAD-UHFFFAOYSA-N 1 2 217.272 1.282 20 30 BDEDLO CCN(CC#N)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000900361248 584295981 /nfs/dbraw/zinc/29/59/81/584295981.db2.gz FFSXCFFDISSJKO-UHFFFAOYSA-N 1 2 234.303 1.299 20 30 BDEDLO C=CCN(CC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900425617 584307304 /nfs/dbraw/zinc/30/73/04/584307304.db2.gz TYJQAODHWRMXQF-UHFFFAOYSA-N 1 2 247.220 1.529 20 30 BDEDLO CC(C)N(CCC#N)C(=O)Cc1c[nH+]c[nH]1 ZINC000900469098 584314489 /nfs/dbraw/zinc/31/44/89/584314489.db2.gz CTMAWVOLDDLIOB-UHFFFAOYSA-N 1 2 220.276 1.103 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@H]1CC12CC2 ZINC000901328512 584423972 /nfs/dbraw/zinc/42/39/72/584423972.db2.gz GZYUHJWFKYJZEX-SECBINFHSA-N 1 2 216.288 1.791 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2nccn2C)[nH+]c1C ZINC000901475747 584448717 /nfs/dbraw/zinc/44/87/17/584448717.db2.gz XDRQYCBKJMIADM-SNAWJCMRSA-N 1 2 230.271 1.656 20 30 BDEDLO Cc1nn(C)cc1C(=O)/C=C/c1[nH]c(C)c(C)[nH+]1 ZINC000901461801 584451089 /nfs/dbraw/zinc/45/10/89/584451089.db2.gz MTWMBJMUTVIBHH-AATRIKPKSA-N 1 2 244.298 1.965 20 30 BDEDLO CC(C)c1c[nH]c(C=CC(=O)c2cnnn2C)[nH+]1 ZINC000901514048 584461572 /nfs/dbraw/zinc/46/15/72/584461572.db2.gz YGLZPLBZIWLJQN-PLNGDYQASA-N 1 2 245.286 1.558 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@]1(C)CCCCO1)C(=O)OC ZINC000901606902 584469069 /nfs/dbraw/zinc/46/90/69/584469069.db2.gz YACFIJIKXVRGLO-AAEUAGOBSA-N 1 2 241.331 1.653 20 30 BDEDLO CCn1ncnc1CNc1cc(CC#N)cc[nH+]1 ZINC000902068244 584519147 /nfs/dbraw/zinc/51/91/47/584519147.db2.gz ZUERHADATVXZKX-UHFFFAOYSA-N 1 2 242.286 1.371 20 30 BDEDLO CC#CCO[NH+]=C(N)Cc1ccccc1F ZINC000902622865 584645320 /nfs/dbraw/zinc/64/53/20/584645320.db2.gz JYRLNAHVQFQVML-UHFFFAOYSA-N 1 2 220.247 1.890 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902999802 584715679 /nfs/dbraw/zinc/71/56/79/584715679.db2.gz ZACWCYUIVLKDQW-NSHDSACASA-N 1 2 241.310 1.182 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902999802 584715680 /nfs/dbraw/zinc/71/56/80/584715680.db2.gz ZACWCYUIVLKDQW-NSHDSACASA-N 1 2 241.310 1.182 20 30 BDEDLO N#CCN1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000730434168 584911024 /nfs/dbraw/zinc/91/10/24/584911024.db2.gz HEAURWQDIMFNJG-LFIBNONCSA-N 1 2 243.310 1.799 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@@H](C)C(F)(F)F ZINC000835003531 584917492 /nfs/dbraw/zinc/91/74/92/584917492.db2.gz ZEJNIBKKYWYEPS-LURJTMIESA-N 1 2 220.198 1.592 20 30 BDEDLO O=C1c2cccc(O)c2C/C1=C/c1[nH]cc[nH+]1 ZINC000731156477 584922738 /nfs/dbraw/zinc/92/27/38/584922738.db2.gz GESCYLGTZADEIG-FPLPWBNLSA-N 1 2 226.235 1.938 20 30 BDEDLO COc1ccc([NH2+]CCCC(=O)OCC#N)cc1 ZINC000736837535 585017144 /nfs/dbraw/zinc/01/71/44/585017144.db2.gz UNSMTRHZWTZLBA-UHFFFAOYSA-N 1 2 248.282 1.954 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(CC)n1)C1CCCC1 ZINC000838854514 585075173 /nfs/dbraw/zinc/07/51/73/585075173.db2.gz QCCZBSDHOOFLRM-UHFFFAOYSA-N 1 2 232.331 1.676 20 30 BDEDLO C#CC[N@H+](Cc1cnn(CC)n1)C1CCCC1 ZINC000838854514 585075174 /nfs/dbraw/zinc/07/51/74/585075174.db2.gz QCCZBSDHOOFLRM-UHFFFAOYSA-N 1 2 232.331 1.676 20 30 BDEDLO C#CCN1CC[N@H+](CC#C)C[C@H]1c1ccccc1 ZINC000839029730 585088289 /nfs/dbraw/zinc/08/82/89/585088289.db2.gz IYBQGNJIDVIFJY-INIZCTEOSA-N 1 2 238.334 1.612 20 30 BDEDLO C#CCN1CC[N@@H+](CC#C)C[C@H]1c1ccccc1 ZINC000839029730 585088290 /nfs/dbraw/zinc/08/82/90/585088290.db2.gz IYBQGNJIDVIFJY-INIZCTEOSA-N 1 2 238.334 1.612 20 30 BDEDLO C#CCN1CC[N@H+](CC#C)C[C@@H]1c1ccccc1 ZINC000839029736 585088491 /nfs/dbraw/zinc/08/84/91/585088491.db2.gz IYBQGNJIDVIFJY-MRXNPFEDSA-N 1 2 238.334 1.612 20 30 BDEDLO C#CCN1CC[N@@H+](CC#C)C[C@@H]1c1ccccc1 ZINC000839029736 585088492 /nfs/dbraw/zinc/08/84/92/585088492.db2.gz IYBQGNJIDVIFJY-MRXNPFEDSA-N 1 2 238.334 1.612 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCCC)C(=O)OC ZINC000839167466 585095333 /nfs/dbraw/zinc/09/53/33/585095333.db2.gz DVZGAPYTOVMASU-MNOVXSKESA-N 1 2 211.305 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(=O)OC ZINC000839167310 585095347 /nfs/dbraw/zinc/09/53/47/585095347.db2.gz FBSQMDKAJSTDDC-CHWFTXMASA-N 1 2 209.289 1.185 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(=O)OC ZINC000839169960 585096007 /nfs/dbraw/zinc/09/60/07/585096007.db2.gz VDPJNFAVUSNRKN-DCAQKATOSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C(=O)OC ZINC000839169963 585096101 /nfs/dbraw/zinc/09/61/01/585096101.db2.gz VDPJNFAVUSNRKN-VWYCJHECSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)OC ZINC000839169197 585096180 /nfs/dbraw/zinc/09/61/80/585096180.db2.gz PRPCHIABYZLSFR-MXWKQRLJSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000839169144 585096224 /nfs/dbraw/zinc/09/62/24/585096224.db2.gz QPRWFWYMXZJVTD-QCNOEVLYSA-N 1 2 239.315 1.097 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)OC ZINC000839169199 585096226 /nfs/dbraw/zinc/09/62/26/585096226.db2.gz PRPCHIABYZLSFR-VWYCJHECSA-N 1 2 209.289 1.330 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)ccc1O ZINC000839186282 585096864 /nfs/dbraw/zinc/09/68/64/585096864.db2.gz FTLAOZQIGIKZIQ-CYBMUJFWSA-N 1 2 231.295 1.535 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000839186282 585096865 /nfs/dbraw/zinc/09/68/65/585096865.db2.gz FTLAOZQIGIKZIQ-CYBMUJFWSA-N 1 2 231.295 1.535 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC000741691644 585116622 /nfs/dbraw/zinc/11/66/22/585116622.db2.gz NZNAJBUZPJNMHD-GFCCVEGCSA-N 1 2 246.310 1.161 20 30 BDEDLO CC(=O)N1CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000743334227 585135225 /nfs/dbraw/zinc/13/52/25/585135225.db2.gz RKFKVBVSHQKFJH-GDNBJRDFSA-N 1 2 246.310 1.822 20 30 BDEDLO C=CCn1nnn(C[N@@H+](C)CC(C)C)c1=S ZINC000744151525 585144582 /nfs/dbraw/zinc/14/45/82/585144582.db2.gz KDVDTCJNBGGHPP-UHFFFAOYSA-N 1 2 241.364 1.540 20 30 BDEDLO C=CCn1nnn(C[N@H+](C)CC(C)C)c1=S ZINC000744151525 585144583 /nfs/dbraw/zinc/14/45/83/585144583.db2.gz KDVDTCJNBGGHPP-UHFFFAOYSA-N 1 2 241.364 1.540 20 30 BDEDLO C=C(Cl)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000748457282 585193326 /nfs/dbraw/zinc/19/33/26/585193326.db2.gz LVMQDBCMGODRHJ-VIFPVBQESA-N 1 2 233.695 1.003 20 30 BDEDLO C=C(Cl)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000748457282 585193327 /nfs/dbraw/zinc/19/33/27/585193327.db2.gz LVMQDBCMGODRHJ-VIFPVBQESA-N 1 2 233.695 1.003 20 30 BDEDLO CCN(CCC#N)C(=O)c1cccc2[nH+]ccn21 ZINC000749304532 585200991 /nfs/dbraw/zinc/20/09/91/585200991.db2.gz JOAGJXRVHCBNJE-UHFFFAOYSA-N 1 2 242.282 1.710 20 30 BDEDLO CO[C@H](C)C(C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753937009 585272064 /nfs/dbraw/zinc/27/20/64/585272064.db2.gz XWKBPAMOLFKNFU-VWYCJHECSA-N 1 2 238.335 1.257 20 30 BDEDLO C#CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000753987875 585274495 /nfs/dbraw/zinc/27/44/95/585274495.db2.gz YUAYNGGBBJKTER-SECBINFHSA-N 1 2 203.245 1.097 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000754374057 585283420 /nfs/dbraw/zinc/28/34/20/585283420.db2.gz TVLZEPKGIFLWKT-OTXQMUPVSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000754374057 585283421 /nfs/dbraw/zinc/28/34/21/585283421.db2.gz TVLZEPKGIFLWKT-OTXQMUPVSA-N 1 2 236.315 1.730 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)c1ccc(C#N)nc1 ZINC000754686117 585289574 /nfs/dbraw/zinc/28/95/74/585289574.db2.gz YDNBKFTWXVDRAK-UHFFFAOYSA-N 1 2 242.238 1.044 20 30 BDEDLO CCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755626936 585302487 /nfs/dbraw/zinc/30/24/87/585302487.db2.gz GJTPXBUOCKRAHD-UHFFFAOYSA-N 1 2 241.316 1.350 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c[nH]2)o1 ZINC000755660972 585303785 /nfs/dbraw/zinc/30/37/85/585303785.db2.gz KVEFCPOBINLRKV-UHFFFAOYSA-N 1 2 216.204 1.024 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2c[nH]c[nH+]2)o1 ZINC000755660972 585303786 /nfs/dbraw/zinc/30/37/86/585303786.db2.gz KVEFCPOBINLRKV-UHFFFAOYSA-N 1 2 216.204 1.024 20 30 BDEDLO Cn1c[nH+]cc1C=NNCCc1ccccc1F ZINC000755774663 585306826 /nfs/dbraw/zinc/30/68/26/585306826.db2.gz JPQPJKSKMNNKTG-UHFFFAOYSA-N 1 2 246.289 1.725 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000756996287 585326316 /nfs/dbraw/zinc/32/63/16/585326316.db2.gz PRGBPLUPERKTKH-AWEZNQCLSA-N 1 2 240.310 1.669 20 30 BDEDLO NC(=[NH2+])NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758097685 585348945 /nfs/dbraw/zinc/34/89/45/585348945.db2.gz GRFZLDCCPGICLL-UHFFFAOYSA-N 1 2 247.085 1.516 20 30 BDEDLO Cc1cc(=O)nc(NN=C2CCC[N@@H+](C)CC2)[nH]1 ZINC000758089962 585348981 /nfs/dbraw/zinc/34/89/81/585348981.db2.gz MQWXBTJEMLCBAS-UHFFFAOYSA-N 1 2 249.318 1.374 20 30 BDEDLO Cc1cc(=O)nc(NN=C2CCC[N@H+](C)CC2)[nH]1 ZINC000758089962 585348982 /nfs/dbraw/zinc/34/89/82/585348982.db2.gz MQWXBTJEMLCBAS-UHFFFAOYSA-N 1 2 249.318 1.374 20 30 BDEDLO Cc1cc(=O)[nH]c(N=NC2CCC[N@@H+](C)CC2)n1 ZINC000758089962 585348983 /nfs/dbraw/zinc/34/89/83/585348983.db2.gz MQWXBTJEMLCBAS-UHFFFAOYSA-N 1 2 249.318 1.374 20 30 BDEDLO Cc1cc(=O)[nH]c(N=NC2CCC[N@H+](C)CC2)n1 ZINC000758089962 585348984 /nfs/dbraw/zinc/34/89/84/585348984.db2.gz MQWXBTJEMLCBAS-UHFFFAOYSA-N 1 2 249.318 1.374 20 30 BDEDLO COC(=O)c1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000758141703 585350667 /nfs/dbraw/zinc/35/06/67/585350667.db2.gz VICAQMGFJSCFAU-UHFFFAOYSA-N 1 2 245.242 1.037 20 30 BDEDLO Nc1ncc(C=[NH+]OCc2ccc(F)cc2)cn1 ZINC000758145453 585350740 /nfs/dbraw/zinc/35/07/40/585350740.db2.gz XHPYCUDGQSSPBS-UHFFFAOYSA-N 1 2 246.245 1.749 20 30 BDEDLO C#CCCNc1ccccc1C[NH+]1CCOCC1 ZINC000760292619 585389348 /nfs/dbraw/zinc/38/93/48/585389348.db2.gz RRXNFRAAHHIESX-UHFFFAOYSA-N 1 2 244.338 1.954 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1csc(CC)n1 ZINC000761108351 585409978 /nfs/dbraw/zinc/40/99/78/585409978.db2.gz LDIWWLGSDTTYRU-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1csc(CC)n1 ZINC000761108351 585409979 /nfs/dbraw/zinc/40/99/79/585409979.db2.gz LDIWWLGSDTTYRU-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000761113385 585410305 /nfs/dbraw/zinc/41/03/05/585410305.db2.gz HCVNONVYLBDVOH-SECBINFHSA-N 1 2 223.276 1.021 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000761113385 585410306 /nfs/dbraw/zinc/41/03/06/585410306.db2.gz HCVNONVYLBDVOH-SECBINFHSA-N 1 2 223.276 1.021 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000762919044 585439443 /nfs/dbraw/zinc/43/94/43/585439443.db2.gz RQXMGLDGVFGLPH-ZDUSSCGKSA-N 1 2 234.299 1.770 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000762919044 585439444 /nfs/dbraw/zinc/43/94/44/585439444.db2.gz RQXMGLDGVFGLPH-ZDUSSCGKSA-N 1 2 234.299 1.770 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763672752 585452050 /nfs/dbraw/zinc/45/20/50/585452050.db2.gz AYMNZCWIPGDCAM-UWVGGRQHSA-N 1 2 222.288 1.174 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763672752 585452051 /nfs/dbraw/zinc/45/20/51/585452051.db2.gz AYMNZCWIPGDCAM-UWVGGRQHSA-N 1 2 222.288 1.174 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763672754 585452077 /nfs/dbraw/zinc/45/20/77/585452077.db2.gz AYMNZCWIPGDCAM-ZJUUUORDSA-N 1 2 222.288 1.174 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763672754 585452078 /nfs/dbraw/zinc/45/20/78/585452078.db2.gz AYMNZCWIPGDCAM-ZJUUUORDSA-N 1 2 222.288 1.174 20 30 BDEDLO COCC#CCO[NH+]=C(N)c1ccccc1 ZINC000764213477 585461571 /nfs/dbraw/zinc/46/15/71/585461571.db2.gz RTPMHMGMSNGMFH-UHFFFAOYSA-N 1 2 218.256 1.183 20 30 BDEDLO CC#CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000764339787 585463555 /nfs/dbraw/zinc/46/35/55/585463555.db2.gz ZAGFSEIZODRNDT-UHFFFAOYSA-N 1 2 225.251 1.834 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000766632421 585504482 /nfs/dbraw/zinc/50/44/82/585504482.db2.gz PZYSCYQWFAGXFO-JTQLQIEISA-N 1 2 242.282 1.612 20 30 BDEDLO C#CCCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000766894352 585509500 /nfs/dbraw/zinc/50/95/00/585509500.db2.gz BMQDGIHSKZTECR-LLVKDONJSA-N 1 2 241.356 1.380 20 30 BDEDLO C#CCCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000766894352 585509501 /nfs/dbraw/zinc/50/95/01/585509501.db2.gz BMQDGIHSKZTECR-LLVKDONJSA-N 1 2 241.356 1.380 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000767438987 585520288 /nfs/dbraw/zinc/52/02/88/585520288.db2.gz AYPCYGNSGSCFHH-JTQLQIEISA-N 1 2 227.271 1.120 20 30 BDEDLO C=CCOCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770927832 585584368 /nfs/dbraw/zinc/58/43/68/585584368.db2.gz VGBHHXZZRSSGSJ-UHFFFAOYSA-N 1 2 246.266 1.580 20 30 BDEDLO C#CCCCCC(=O)OCC[NH+]1CCOCC1 ZINC000773636150 585641761 /nfs/dbraw/zinc/64/17/61/585641761.db2.gz SNIFXZVLCLDHGN-UHFFFAOYSA-N 1 2 239.315 1.055 20 30 BDEDLO CC#CCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000773864247 585645146 /nfs/dbraw/zinc/64/51/46/585645146.db2.gz MAVROQSAGMNIHS-UHFFFAOYSA-N 1 2 228.251 1.443 20 30 BDEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC1(C#N)CCC1 ZINC000774483438 585660324 /nfs/dbraw/zinc/66/03/24/585660324.db2.gz PTAHEQARRAAUJM-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC1(C#N)CCC1 ZINC000774483438 585660325 /nfs/dbraw/zinc/66/03/25/585660325.db2.gz PTAHEQARRAAUJM-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(C)no1)[C@@H]1CCCO1 ZINC000775795700 585685178 /nfs/dbraw/zinc/68/51/78/585685178.db2.gz PJRIKOIFKLVNPD-LSJOCFKGSA-N 1 2 235.287 1.209 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN1CCCC1=O ZINC000776725858 585703552 /nfs/dbraw/zinc/70/35/52/585703552.db2.gz FNOJIVIYETWCOT-UHFFFAOYSA-N 1 2 231.299 1.931 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1cccc(OC)n1 ZINC000779819779 585767156 /nfs/dbraw/zinc/76/71/56/585767156.db2.gz VPXPYYRBNNHQIA-UHFFFAOYSA-N 1 2 245.286 1.753 20 30 BDEDLO CC[C@@H](C#N)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000781179275 585792340 /nfs/dbraw/zinc/79/23/40/585792340.db2.gz SUUBUKYBYSEBTE-JTQLQIEISA-N 1 2 229.239 1.793 20 30 BDEDLO CC[C@@H](C#N)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000781195558 585792965 /nfs/dbraw/zinc/79/29/65/585792965.db2.gz VTBUTWLYCGSTQI-JTQLQIEISA-N 1 2 233.271 1.442 20 30 BDEDLO N#C[C@H]1C[N@H+](CC[C@@H]2CCOC2)CCN1C1CC1 ZINC000783567325 585837227 /nfs/dbraw/zinc/83/72/27/585837227.db2.gz NEGNZFYBORMXHI-OCCSQVGLSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCN1C1CC1 ZINC000783567325 585837228 /nfs/dbraw/zinc/83/72/28/585837228.db2.gz NEGNZFYBORMXHI-OCCSQVGLSA-N 1 2 249.358 1.085 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784453299 585860278 /nfs/dbraw/zinc/86/02/78/585860278.db2.gz JFIRTHXVIGECNR-HQIZRNBFSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784453299 585860279 /nfs/dbraw/zinc/86/02/79/585860279.db2.gz JFIRTHXVIGECNR-HQIZRNBFSA-N 1 2 236.315 1.731 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H](C#N)COC ZINC000785178386 585871582 /nfs/dbraw/zinc/87/15/82/585871582.db2.gz XFXXMNAJUCHCDF-VIFPVBQESA-N 1 2 249.270 1.127 20 30 BDEDLO NC(=[NH+]OCCC1(O)CC1)c1ccc(F)cc1 ZINC000785516684 585874843 /nfs/dbraw/zinc/87/48/43/585874843.db2.gz CTCXXYUDPLCZHI-UHFFFAOYSA-N 1 2 238.262 1.378 20 30 BDEDLO Cc1cc(NC(=O)NCCC#N)c(C)c[nH+]1 ZINC000785896399 585882610 /nfs/dbraw/zinc/88/26/10/585882610.db2.gz QYPNOXZNVZYJHK-UHFFFAOYSA-N 1 2 218.260 1.156 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncnn1C(C)C)[C@@H]1CCCO1 ZINC000789306527 585939151 /nfs/dbraw/zinc/93/91/51/585939151.db2.gz JWAGDGXZMKILQV-NEPJUHHUSA-N 1 2 248.330 1.129 20 30 BDEDLO N#Cc1ccccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789606989 585946172 /nfs/dbraw/zinc/94/61/72/585946172.db2.gz AVQJESIUDXMYIF-LBPRGKRZSA-N 1 2 245.282 1.736 20 30 BDEDLO CC(=Cc1[nH]cc[nH+]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789828859 585951219 /nfs/dbraw/zinc/95/12/19/585951219.db2.gz GBERQDJQBCARHT-FNORWQNLSA-N 1 2 241.254 1.234 20 30 BDEDLO CC(N=Nc1cnccn1)c1[nH]cc[nH+]1 ZINC000790154094 585958807 /nfs/dbraw/zinc/95/88/07/585958807.db2.gz OYBOGGJSWBBYCL-UHFFFAOYSA-N 1 2 202.221 1.036 20 30 BDEDLO CC(N=Nc1ccccn1)c1[nH]cc[nH+]1 ZINC000790147431 585958825 /nfs/dbraw/zinc/95/88/25/585958825.db2.gz FKHCGEZEMSICSG-UHFFFAOYSA-N 1 2 201.233 1.641 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cn(C(C)C)nn1)[C@H]1CCCO1 ZINC000808406985 585960534 /nfs/dbraw/zinc/96/05/34/585960534.db2.gz PYPANZVOACXLOA-CHWSQXEVSA-N 1 2 248.330 1.129 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn(C(C)C)nn1)[C@@H]1CCCO1 ZINC000808406988 585960952 /nfs/dbraw/zinc/96/09/52/585960952.db2.gz PYPANZVOACXLOA-STQMWFEESA-N 1 2 248.330 1.129 20 30 BDEDLO COc1cccc(C=NNc2[nH+]ccn2C)c1O ZINC000790300532 585962863 /nfs/dbraw/zinc/96/28/63/585962863.db2.gz VGYPLVKQOGLFCJ-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO O=[N+]([O-])c1c(F)cccc1N=NCc1[nH]cc[nH+]1 ZINC000790310746 585963753 /nfs/dbraw/zinc/96/37/53/585963753.db2.gz NWBFSSZEFPMBGW-UHFFFAOYSA-N 1 2 249.205 1.903 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)CCCn1cc[nH+]c1 ZINC000791743310 585987029 /nfs/dbraw/zinc/98/70/29/585987029.db2.gz VIVHIYHLGJWPAG-LBPRGKRZSA-N 1 2 233.315 1.581 20 30 BDEDLO N#Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)c[nH]1 ZINC000792235039 585998337 /nfs/dbraw/zinc/99/83/37/585998337.db2.gz MOXUFWVCLYAQCR-UHFFFAOYSA-N 1 2 242.238 1.221 20 30 BDEDLO Clc1cccc(N=NCc2c[nH+]c[nH]2)n1 ZINC000793160443 586012190 /nfs/dbraw/zinc/01/21/90/586012190.db2.gz AZURKCWNYRHLJD-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO Clc1cccc(N=NCc2c[nH]c[nH+]2)n1 ZINC000793160443 586012191 /nfs/dbraw/zinc/01/21/91/586012191.db2.gz AZURKCWNYRHLJD-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO Clc1cccc(N=NCc2[nH]cc[nH+]2)n1 ZINC000793163137 586012332 /nfs/dbraw/zinc/01/23/32/586012332.db2.gz GIASFWBDCUWNLA-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000794451962 586040198 /nfs/dbraw/zinc/04/01/98/586040198.db2.gz KHQPSJWIEIRXOV-UHFFFAOYSA-N 1 2 245.242 1.774 20 30 BDEDLO Cc1ccnc(N=NCc2cn(C)c[nH+]2)c1 ZINC000794517013 586041320 /nfs/dbraw/zinc/04/13/20/586041320.db2.gz NNXZCGHTDFRPTA-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO CC(C)c1nccnc1N=NCc1cn(C)c[nH+]1 ZINC000794536912 586042501 /nfs/dbraw/zinc/04/25/01/586042501.db2.gz DDBOHWBUHBJWOK-UHFFFAOYSA-N 1 2 244.302 1.780 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)CCC ZINC000794574601 586044664 /nfs/dbraw/zinc/04/46/64/586044664.db2.gz KFPCTVFADLCJAQ-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)CCC ZINC000794574601 586044665 /nfs/dbraw/zinc/04/46/65/586044665.db2.gz KFPCTVFADLCJAQ-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO Cn1c[nH+]c(/C=C2/CCc3c(cnn3C)C2=O)c1 ZINC000798231458 586141197 /nfs/dbraw/zinc/14/11/97/586141197.db2.gz LOVFFDSMARXVNV-UITAMQMPSA-N 1 2 242.282 1.366 20 30 BDEDLO CCn1cc(C(=O)/C=C\c2cn(C)c[nH+]2)cn1 ZINC000798231460 586141408 /nfs/dbraw/zinc/14/14/08/586141408.db2.gz LOYUVBNDEKYLGK-PLNGDYQASA-N 1 2 230.271 1.533 20 30 BDEDLO C#CCC[C@@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000798421084 586143749 /nfs/dbraw/zinc/14/37/49/586143749.db2.gz ISJNXHCMIPBGGI-SNVBAGLBSA-N 1 2 244.298 1.453 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799305254 586170372 /nfs/dbraw/zinc/17/03/72/586170372.db2.gz RVQUVGLOWJUHBZ-CABZTGNLSA-N 1 2 237.278 1.488 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799305254 586170374 /nfs/dbraw/zinc/17/03/74/586170374.db2.gz RVQUVGLOWJUHBZ-CABZTGNLSA-N 1 2 237.278 1.488 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799305253 586170658 /nfs/dbraw/zinc/17/06/58/586170658.db2.gz RVQUVGLOWJUHBZ-BXKDBHETSA-N 1 2 237.278 1.488 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799305253 586170659 /nfs/dbraw/zinc/17/06/59/586170659.db2.gz RVQUVGLOWJUHBZ-BXKDBHETSA-N 1 2 237.278 1.488 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859336056 589032533 /nfs/dbraw/zinc/03/25/33/589032533.db2.gz JWVBNSHWRWNYRO-JTQLQIEISA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859336056 589032535 /nfs/dbraw/zinc/03/25/35/589032535.db2.gz JWVBNSHWRWNYRO-JTQLQIEISA-N 1 2 237.734 1.919 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cc(O)cc(O)c2)c1 ZINC000800794714 586229548 /nfs/dbraw/zinc/22/95/48/586229548.db2.gz OKRAWJVOZGXWOK-NSCUHMNNSA-N 1 2 244.250 1.727 20 30 BDEDLO C=CCOCC(=O)OCCCc1[nH+]ccn1C ZINC000802788501 586314018 /nfs/dbraw/zinc/31/40/18/586314018.db2.gz ZGGWCKDGRGANSD-UHFFFAOYSA-N 1 2 238.287 1.099 20 30 BDEDLO N#CC1CC[NH+](CN2C[C@H]3CCC[C@@H]3C2=O)CC1 ZINC000839978997 586315048 /nfs/dbraw/zinc/31/50/48/586315048.db2.gz JOYIJAXUDYBHKF-OLZOCXBDSA-N 1 2 247.342 1.438 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840047790 586395987 /nfs/dbraw/zinc/39/59/87/586395987.db2.gz MVPGCWHIIROVAM-OLZOCXBDSA-N 1 2 234.343 1.709 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840047790 586395990 /nfs/dbraw/zinc/39/59/90/586395990.db2.gz MVPGCWHIIROVAM-OLZOCXBDSA-N 1 2 234.343 1.709 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840050030 586399301 /nfs/dbraw/zinc/39/93/01/586399301.db2.gz WQFROMGTFMAZOV-QWRGUYRKSA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840050030 586399303 /nfs/dbraw/zinc/39/93/03/586399303.db2.gz WQFROMGTFMAZOV-QWRGUYRKSA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840050027 586399552 /nfs/dbraw/zinc/39/95/52/586399552.db2.gz WQFROMGTFMAZOV-MNOVXSKESA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840050027 586399553 /nfs/dbraw/zinc/39/95/53/586399553.db2.gz WQFROMGTFMAZOV-MNOVXSKESA-N 1 2 208.305 1.320 20 30 BDEDLO CC1(C)CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000808176081 586466640 /nfs/dbraw/zinc/46/66/40/586466640.db2.gz AKFQODXORFWAMN-UHFFFAOYSA-N 1 2 249.358 1.828 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cnnn1-c1ccccc1 ZINC000808733595 586485750 /nfs/dbraw/zinc/48/57/50/586485750.db2.gz VPULFGOUBMYOOG-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO C#CC[N@H+](CC)Cc1cnnn1-c1ccccc1 ZINC000808733595 586485752 /nfs/dbraw/zinc/48/57/52/586485752.db2.gz VPULFGOUBMYOOG-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000809648725 586510854 /nfs/dbraw/zinc/51/08/54/586510854.db2.gz KUZVLIWKZFTTFU-GFCCVEGCSA-N 1 2 242.322 1.330 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000809648725 586510855 /nfs/dbraw/zinc/51/08/55/586510855.db2.gz KUZVLIWKZFTTFU-GFCCVEGCSA-N 1 2 242.322 1.330 20 30 BDEDLO Cc1cn[nH]c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000810155229 586536285 /nfs/dbraw/zinc/53/62/85/586536285.db2.gz ZIQRSBZZBKKBOL-UHFFFAOYSA-N 1 2 227.271 1.275 20 30 BDEDLO Cc1c[nH]nc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000810155229 586536288 /nfs/dbraw/zinc/53/62/88/586536288.db2.gz ZIQRSBZZBKKBOL-UHFFFAOYSA-N 1 2 227.271 1.275 20 30 BDEDLO COc1cccc(O)c1/C=N\Cc1c[nH+]cn1C ZINC000811624624 586562117 /nfs/dbraw/zinc/56/21/17/586562117.db2.gz LHGGBVVXBQGTQC-ZSOIEALJSA-N 1 2 245.282 1.753 20 30 BDEDLO C=C(C)CNN=C(C)c1cn(C)c(C)[nH+]1 ZINC000811650001 586562817 /nfs/dbraw/zinc/56/28/17/586562817.db2.gz HFTHWDFGLHKSDZ-UHFFFAOYSA-N 1 2 206.293 1.618 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNC[C@H]1CCSC1 ZINC000811661679 586564826 /nfs/dbraw/zinc/56/48/26/586564826.db2.gz QFWGUJXZOOCMNM-SECBINFHSA-N 1 2 224.333 1.395 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811769148 586566702 /nfs/dbraw/zinc/56/67/02/586566702.db2.gz RJKDUSXXJGKOLU-LLVKDONJSA-N 1 2 222.332 1.709 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811769148 586566703 /nfs/dbraw/zinc/56/67/03/586566703.db2.gz RJKDUSXXJGKOLU-LLVKDONJSA-N 1 2 222.332 1.709 20 30 BDEDLO C#CCO[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000812233718 586571279 /nfs/dbraw/zinc/57/12/79/586571279.db2.gz VJUBMBKSIYGIGQ-UHFFFAOYSA-N 1 2 233.227 1.551 20 30 BDEDLO CC(=NOCCOC(C)C)c1cn(C)c(C)[nH+]1 ZINC000812237845 586571846 /nfs/dbraw/zinc/57/18/46/586571846.db2.gz FVLSZKCYUNYUEE-UHFFFAOYSA-N 1 2 239.319 1.894 20 30 BDEDLO Cn1cc[nH+]c1CCCOC(=O)CCCC#N ZINC000813088707 586591124 /nfs/dbraw/zinc/59/11/24/586591124.db2.gz ZXTANACMLDTYJO-UHFFFAOYSA-N 1 2 235.287 1.590 20 30 BDEDLO C=CCC(C)(C)C(=O)NC1=[NH+]CCS1 ZINC000814257136 586620780 /nfs/dbraw/zinc/62/07/80/586620780.db2.gz FGSMZZZRDCBOMG-UHFFFAOYSA-N 1 2 212.318 1.808 20 30 BDEDLO C=C[C@@H](O)C(=O)OCc1ccc(C)[nH+]c1C ZINC000814547211 586624583 /nfs/dbraw/zinc/62/45/83/586624583.db2.gz UYGIXMTTYLVWLS-LLVKDONJSA-N 1 2 221.256 1.289 20 30 BDEDLO CC(=Nn1cnnc1)c1ccc(C)[nH+]c1C ZINC000814683223 586628839 /nfs/dbraw/zinc/62/88/39/586628839.db2.gz UXEKTXGGXFDVQO-UHFFFAOYSA-N 1 2 215.260 1.562 20 30 BDEDLO CN(C)c1ncc(C=[NH+]OCC(F)F)cn1 ZINC000814904206 586647669 /nfs/dbraw/zinc/64/76/69/586647669.db2.gz YAOZWLXNCSXSAR-UHFFFAOYSA-N 1 2 230.218 1.158 20 30 BDEDLO C#CC[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000817298842 586793829 /nfs/dbraw/zinc/79/38/29/586793829.db2.gz QDQZRVMTFIZLSD-ZDUSSCGKSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CC[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000817298842 586793830 /nfs/dbraw/zinc/79/38/30/586793830.db2.gz QDQZRVMTFIZLSD-ZDUSSCGKSA-N 1 2 234.343 1.390 20 30 BDEDLO CON1CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000817708323 586818420 /nfs/dbraw/zinc/81/84/20/586818420.db2.gz WPPUENNQXQEIBT-UVTDQMKNSA-N 1 2 234.299 1.837 20 30 BDEDLO CC#CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000819249058 586943292 /nfs/dbraw/zinc/94/32/92/586943292.db2.gz BIRYGFIODWMSBF-UHFFFAOYSA-N 1 2 227.267 1.430 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000819972127 587008912 /nfs/dbraw/zinc/00/89/12/587008912.db2.gz WPGQOUOKDCMJKD-LBPRGKRZSA-N 1 2 247.342 1.998 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000820436062 587048911 /nfs/dbraw/zinc/04/89/11/587048911.db2.gz RVWUZEDKOPBICR-LLVKDONJSA-N 1 2 246.314 1.251 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)O ZINC000820599257 587058293 /nfs/dbraw/zinc/05/82/93/587058293.db2.gz RMGHPXXAPVKYBX-NSHDSACASA-N 1 2 234.299 1.667 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822407051 587166361 /nfs/dbraw/zinc/16/63/61/587166361.db2.gz LRJWYDQYTMFZPN-STQMWFEESA-N 1 2 247.342 1.998 20 30 BDEDLO CO[C@@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000822622119 587177976 /nfs/dbraw/zinc/17/79/76/587177976.db2.gz STXRUDRRAANGME-KBPBESRZSA-N 1 2 249.358 1.084 20 30 BDEDLO CO[C@@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000822622119 587177977 /nfs/dbraw/zinc/17/79/77/587177977.db2.gz STXRUDRRAANGME-KBPBESRZSA-N 1 2 249.358 1.084 20 30 BDEDLO C#CCC[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000823679819 587235976 /nfs/dbraw/zinc/23/59/76/587235976.db2.gz BGVSPHNWNCDIOC-UHFFFAOYSA-N 1 2 236.271 1.309 20 30 BDEDLO C=CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000826074694 587350387 /nfs/dbraw/zinc/35/03/87/587350387.db2.gz GUIUXMHFFOHVOF-UHFFFAOYSA-N 1 2 207.277 1.375 20 30 BDEDLO CC(C)c1nc(N2CC[C@](O)(CC#N)C2)cc[nH+]1 ZINC000826618773 587356601 /nfs/dbraw/zinc/35/66/01/587356601.db2.gz QIHCOSSQOWVHOO-CYBMUJFWSA-N 1 2 246.314 1.455 20 30 BDEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CC#N ZINC000826703636 587359475 /nfs/dbraw/zinc/35/94/75/587359475.db2.gz GRWWNRLRPRPSGA-LBPRGKRZSA-N 1 2 229.283 1.203 20 30 BDEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CC#N ZINC000826703636 587359476 /nfs/dbraw/zinc/35/94/76/587359476.db2.gz GRWWNRLRPRPSGA-LBPRGKRZSA-N 1 2 229.283 1.203 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000827056790 587369514 /nfs/dbraw/zinc/36/95/14/587369514.db2.gz SCVGYCUJBAPPPA-BTDICHCPSA-N 1 2 243.310 1.305 20 30 BDEDLO C[S@](=O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000827873090 587406293 /nfs/dbraw/zinc/40/62/93/587406293.db2.gz NSFCXSBUMPNQHF-HNNXBMFYSA-N 1 2 230.377 1.627 20 30 BDEDLO C[S@](=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000827873090 587406294 /nfs/dbraw/zinc/40/62/94/587406294.db2.gz NSFCXSBUMPNQHF-HNNXBMFYSA-N 1 2 230.377 1.627 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000829773619 587515375 /nfs/dbraw/zinc/51/53/75/587515375.db2.gz GXPBDCKGRPLZFS-LLVKDONJSA-N 1 2 219.288 1.613 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000829773619 587515376 /nfs/dbraw/zinc/51/53/76/587515376.db2.gz GXPBDCKGRPLZFS-LLVKDONJSA-N 1 2 219.288 1.613 20 30 BDEDLO C#CC1CC[NH+](Cc2noc(COC)n2)CC1 ZINC000830345800 587546906 /nfs/dbraw/zinc/54/69/06/587546906.db2.gz UCWGFBBKHJVRJS-UHFFFAOYSA-N 1 2 235.287 1.061 20 30 BDEDLO C#CC1CC[NH+](Cc2ncnn2CC)CC1 ZINC000830345664 587547014 /nfs/dbraw/zinc/54/70/14/587547014.db2.gz MDHOIVTWXWBZIE-UHFFFAOYSA-N 1 2 218.304 1.143 20 30 BDEDLO C#CCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000831642711 587625508 /nfs/dbraw/zinc/62/55/08/587625508.db2.gz KDQFHMJMUPJFAK-NSHDSACASA-N 1 2 211.305 1.576 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)OCCC ZINC000831678914 587627412 /nfs/dbraw/zinc/62/74/12/587627412.db2.gz LIZWJONDPDWDTJ-AXFHLTTASA-N 1 2 227.304 1.261 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000834386359 587754022 /nfs/dbraw/zinc/75/40/22/587754022.db2.gz USGCBFRONFLTKN-ZJUUUORDSA-N 1 2 231.299 1.043 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000834386359 587754023 /nfs/dbraw/zinc/75/40/23/587754023.db2.gz USGCBFRONFLTKN-ZJUUUORDSA-N 1 2 231.299 1.043 20 30 BDEDLO C#CCCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000836330294 587830912 /nfs/dbraw/zinc/83/09/12/587830912.db2.gz OVYYKVJKSNCOOY-LLVKDONJSA-N 1 2 248.330 1.677 20 30 BDEDLO C=CC(C)(C)CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836521698 587834646 /nfs/dbraw/zinc/83/46/46/587834646.db2.gz FETNKQUUQFJVMZ-SNVBAGLBSA-N 1 2 248.330 1.839 20 30 BDEDLO CN(C)c1ccc(CNC(=O)C#CC2CC2)c[nH+]1 ZINC000837338479 587867699 /nfs/dbraw/zinc/86/76/99/587867699.db2.gz XMVAOMWMVSUBCS-UHFFFAOYSA-N 1 2 243.310 1.177 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C#CC(C)(C)C ZINC000837343907 587868249 /nfs/dbraw/zinc/86/82/49/587868249.db2.gz BXWIVKLDQJJOAG-LLVKDONJSA-N 1 2 233.315 1.437 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C#CC(C)(C)C ZINC000837343908 587868483 /nfs/dbraw/zinc/86/84/83/587868483.db2.gz BXWIVKLDQJJOAG-NSHDSACASA-N 1 2 233.315 1.437 20 30 BDEDLO CN(C)c1[nH+]cccc1NC(=O)C#CC1CC1 ZINC000837359104 587869138 /nfs/dbraw/zinc/86/91/38/587869138.db2.gz DKOGMXXCKJARDO-UHFFFAOYSA-N 1 2 229.283 1.500 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000837631189 587886635 /nfs/dbraw/zinc/88/66/35/587886635.db2.gz NOEHOJBBNHMGRI-LLVKDONJSA-N 1 2 245.326 1.364 20 30 BDEDLO C#CCC(CC#C)C(=O)OCCc1c[nH+]cn1C ZINC000837716818 587892097 /nfs/dbraw/zinc/89/20/97/587892097.db2.gz RWWUNPXUIAQLAD-UHFFFAOYSA-N 1 2 244.294 1.169 20 30 BDEDLO NC(C[NH+]1CCSCC1)=NOCC1CCC1 ZINC000121488387 587930907 /nfs/dbraw/zinc/93/09/07/587930907.db2.gz KWEIJYUMWRELBS-UHFFFAOYSA-N 1 2 243.376 1.124 20 30 BDEDLO CCn1c[nH+]cc1C=NNCC(F)F ZINC000841626252 587961705 /nfs/dbraw/zinc/96/17/05/587961705.db2.gz PPCKHHJXPWTNTC-UHFFFAOYSA-N 1 2 202.208 1.092 20 30 BDEDLO CCOCCON=CC(C)(C)[NH+]1CCOCC1 ZINC000841634030 587963357 /nfs/dbraw/zinc/96/33/57/587963357.db2.gz OAEURJVKBXGAHN-UHFFFAOYSA-N 1 2 244.335 1.136 20 30 BDEDLO CC(C)(C=NOC/C=C\Cl)[NH+]1CCOCC1 ZINC000841639448 587964986 /nfs/dbraw/zinc/96/49/86/587964986.db2.gz RAZAWXMTMMJIBE-GNRXQETOSA-N 1 2 246.738 1.852 20 30 BDEDLO CCCON=CC(C)(C)[NH+]1CCOCC1 ZINC000842558464 588042337 /nfs/dbraw/zinc/04/23/37/588042337.db2.gz XUKOVNVTTNAKHO-UHFFFAOYSA-N 1 2 214.309 1.510 20 30 BDEDLO C#CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000842634203 588047820 /nfs/dbraw/zinc/04/78/20/588047820.db2.gz QRDCFNYJECYTDP-UHFFFAOYSA-N 1 2 234.259 1.094 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000844004824 588154991 /nfs/dbraw/zinc/15/49/91/588154991.db2.gz GMEBNIPNRRVKPI-LBPRGKRZSA-N 1 2 245.326 1.523 20 30 BDEDLO C#CCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844408812 588190365 /nfs/dbraw/zinc/19/03/65/588190365.db2.gz IPEQQRNKCCXMFN-NSHDSACASA-N 1 2 219.288 1.364 20 30 BDEDLO CCC/C(C)=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844529126 588200790 /nfs/dbraw/zinc/20/07/90/588200790.db2.gz NTUBQMHHBMZLGD-YKWSONSWSA-N 1 2 237.347 1.693 20 30 BDEDLO C[C@@H](C#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278868 588225555 /nfs/dbraw/zinc/22/55/55/588225555.db2.gz WPCICTFMJIRXGY-IUCAKERBSA-N 1 2 207.233 1.289 20 30 BDEDLO C#CCOCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845490311 588230442 /nfs/dbraw/zinc/23/04/42/588230442.db2.gz NVZJPMTYTGWGEB-LLVKDONJSA-N 1 2 236.271 1.027 20 30 BDEDLO C=C[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845522737 588231947 /nfs/dbraw/zinc/23/19/47/588231947.db2.gz OGCIKDPVYOALBW-JTQLQIEISA-N 1 2 234.299 1.880 20 30 BDEDLO C=C(C)CONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000846662763 588281342 /nfs/dbraw/zinc/28/13/42/588281342.db2.gz HRBHDOXWNITPKW-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000847018745 588301376 /nfs/dbraw/zinc/30/13/76/588301376.db2.gz MKZNEICBCRWKHC-JTQLQIEISA-N 1 2 205.261 1.223 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000847018745 588301377 /nfs/dbraw/zinc/30/13/77/588301377.db2.gz MKZNEICBCRWKHC-JTQLQIEISA-N 1 2 205.261 1.223 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000847022126 588302475 /nfs/dbraw/zinc/30/24/75/588302475.db2.gz SJSSSKNJRISORM-QWRGUYRKSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000847022126 588302476 /nfs/dbraw/zinc/30/24/76/588302476.db2.gz SJSSSKNJRISORM-QWRGUYRKSA-N 1 2 249.314 1.622 20 30 BDEDLO C#CCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000847046510 588304908 /nfs/dbraw/zinc/30/49/08/588304908.db2.gz YWQUUUOIXIHVSZ-UHFFFAOYSA-N 1 2 214.268 1.464 20 30 BDEDLO C#CCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000847046510 588304909 /nfs/dbraw/zinc/30/49/09/588304909.db2.gz YWQUUUOIXIHVSZ-UHFFFAOYSA-N 1 2 214.268 1.464 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848245482 588367310 /nfs/dbraw/zinc/36/73/10/588367310.db2.gz MAZHLCYITTYOGF-IUCAKERBSA-N 1 2 223.276 1.211 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848245482 588367312 /nfs/dbraw/zinc/36/73/12/588367312.db2.gz MAZHLCYITTYOGF-IUCAKERBSA-N 1 2 223.276 1.211 20 30 BDEDLO CS[C@H]1CCC1=NNCCCn1cc[nH+]c1 ZINC000848416813 588381308 /nfs/dbraw/zinc/38/13/08/588381308.db2.gz ZJMNUJBKLXAFTK-NSHDSACASA-N 1 2 238.360 1.744 20 30 BDEDLO Cc1cnccc1C=NNCCCn1cc[nH+]c1 ZINC000848416400 588381371 /nfs/dbraw/zinc/38/13/71/588381371.db2.gz KAAKOCLFYLLTSI-UHFFFAOYSA-N 1 2 243.314 1.600 20 30 BDEDLO Cc1cnc(C=NNCCCn2cc[nH+]c2)o1 ZINC000848416315 588381738 /nfs/dbraw/zinc/38/17/38/588381738.db2.gz GOYSBZVIFBKMQN-UHFFFAOYSA-N 1 2 233.275 1.193 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccoc1 ZINC000848418018 588382313 /nfs/dbraw/zinc/38/23/13/588382313.db2.gz IQQHGZZJNDYFFE-UHFFFAOYSA-N 1 2 232.287 1.880 20 30 BDEDLO C#C[C@H]([NH2+][C@H]1CCCn2ccnc21)[C@@H]1CCCO1 ZINC000848545433 588394992 /nfs/dbraw/zinc/39/49/92/588394992.db2.gz FRNIZJXKJJOJGH-AVGNSLFASA-N 1 2 245.326 1.488 20 30 BDEDLO C#CC[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000848707076 588407092 /nfs/dbraw/zinc/40/70/92/588407092.db2.gz CCYYNOWRASKIPL-SNVBAGLBSA-N 1 2 233.315 1.570 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000848750396 588411316 /nfs/dbraw/zinc/41/13/16/588411316.db2.gz FPWXWTSVQGDCCB-NSHDSACASA-N 1 2 242.326 1.901 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000848750396 588411317 /nfs/dbraw/zinc/41/13/17/588411317.db2.gz FPWXWTSVQGDCCB-NSHDSACASA-N 1 2 242.326 1.901 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)C#N)ccn12 ZINC000848780939 588413707 /nfs/dbraw/zinc/41/37/07/588413707.db2.gz VAULDYZRWIKYET-VIFPVBQESA-N 1 2 229.239 1.712 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cnc(Cl)n1C ZINC000848883659 588416758 /nfs/dbraw/zinc/41/67/58/588416758.db2.gz PSXUMNQIZNPQDS-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CC[N@H+](CC)Cc1cnc(Cl)n1C ZINC000848883659 588416760 /nfs/dbraw/zinc/41/67/60/588416760.db2.gz PSXUMNQIZNPQDS-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(Cl)n1C ZINC000848903347 588418322 /nfs/dbraw/zinc/41/83/22/588418322.db2.gz QDXWVDSVDLUQIM-QMMMGPOBSA-N 1 2 226.711 1.855 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc(Cl)n1C ZINC000848907985 588419754 /nfs/dbraw/zinc/41/97/54/588419754.db2.gz WHADPQHDKKDSDT-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848907985 588419755 /nfs/dbraw/zinc/41/97/55/588419755.db2.gz WHADPQHDKKDSDT-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(CC)c1O ZINC000848917901 588421147 /nfs/dbraw/zinc/42/11/47/588421147.db2.gz ZYQBFAKNTPXWTK-CQSZACIVSA-N 1 2 245.322 1.789 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848917901 588421148 /nfs/dbraw/zinc/42/11/48/588421148.db2.gz ZYQBFAKNTPXWTK-CQSZACIVSA-N 1 2 245.322 1.789 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCCc1c[nH+]cn1C ZINC000849850938 588504239 /nfs/dbraw/zinc/50/42/39/588504239.db2.gz AOFOCLVOBKUQPF-VIFPVBQESA-N 1 2 221.260 1.056 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851744427 588621821 /nfs/dbraw/zinc/62/18/21/588621821.db2.gz FEQBNBZMFLJXQG-CMPLNLGQSA-N 1 2 219.288 1.206 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851744427 588621822 /nfs/dbraw/zinc/62/18/22/588621822.db2.gz FEQBNBZMFLJXQG-CMPLNLGQSA-N 1 2 219.288 1.206 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851793475 588629278 /nfs/dbraw/zinc/62/92/78/588629278.db2.gz FEXWOUKNUWULMK-BFHYXJOUSA-N 1 2 244.338 1.002 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@H]1CCCO1 ZINC000851949199 588647115 /nfs/dbraw/zinc/64/71/15/588647115.db2.gz BIVDPKFTYGVFIX-TZMCWYRMSA-N 1 2 246.310 1.822 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cc(C2CC2)no1)[C@H]1CCCO1 ZINC000851949196 588647254 /nfs/dbraw/zinc/64/72/54/588647254.db2.gz BIVDPKFTYGVFIX-GXTWGEPZSA-N 1 2 246.310 1.822 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(C2CC2)n1 ZINC000852099594 588662614 /nfs/dbraw/zinc/66/26/14/588662614.db2.gz NGQPPNDYDOSMDL-LBPRGKRZSA-N 1 2 219.288 1.839 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(COC)no1 ZINC000852101767 588662956 /nfs/dbraw/zinc/66/29/56/588662956.db2.gz SLJUCBHVTVBISK-LLVKDONJSA-N 1 2 223.276 1.108 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(N(C)C)no1 ZINC000852103227 588663345 /nfs/dbraw/zinc/66/33/45/588663345.db2.gz ARHYEMVFEQRUKC-NSHDSACASA-N 1 2 222.292 1.027 20 30 BDEDLO C=C(Cl)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852122772 588665505 /nfs/dbraw/zinc/66/55/05/588665505.db2.gz HXWUAGVCFGMLEZ-QMMMGPOBSA-N 1 2 242.710 1.533 20 30 BDEDLO CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328536 588678625 /nfs/dbraw/zinc/67/86/25/588678625.db2.gz HHPFVLUZXUKCKV-ZDUSSCGKSA-N 1 2 215.300 1.959 20 30 BDEDLO CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328536 588678626 /nfs/dbraw/zinc/67/86/26/588678626.db2.gz HHPFVLUZXUKCKV-ZDUSSCGKSA-N 1 2 215.300 1.959 20 30 BDEDLO COCC[N@@H+](CC#Cc1ccccc1)CCF ZINC000852480852 588684110 /nfs/dbraw/zinc/68/41/10/588684110.db2.gz DMPBPYTYGZUTEI-UHFFFAOYSA-N 1 2 235.302 1.956 20 30 BDEDLO COCC[N@H+](CC#Cc1ccccc1)CCF ZINC000852480852 588684111 /nfs/dbraw/zinc/68/41/11/588684111.db2.gz DMPBPYTYGZUTEI-UHFFFAOYSA-N 1 2 235.302 1.956 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000852714528 588697613 /nfs/dbraw/zinc/69/76/13/588697613.db2.gz TYVVANBMMBSZQV-LLVKDONJSA-N 1 2 243.310 1.575 20 30 BDEDLO N#CC1(C[NH+]2CCC(N3CCOC3=O)CC2)CC1 ZINC000852721270 588697851 /nfs/dbraw/zinc/69/78/51/588697851.db2.gz KGTHEANFCKCKPM-UHFFFAOYSA-N 1 2 249.314 1.207 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@]1(C)CCCS1)C(=O)OC ZINC000862392358 589207663 /nfs/dbraw/zinc/20/76/63/589207663.db2.gz KWXACUPURNVREV-PWSUYJOCSA-N 1 2 241.356 1.427 20 30 BDEDLO C[C@@H]1CCC(=[NH+]n2cccn2)[C@@H](n2cncn2)C1 ZINC000863163697 589266020 /nfs/dbraw/zinc/26/60/20/589266020.db2.gz MOFVGKFTGLBJIB-PWSUYJOCSA-N 1 2 244.302 1.740 20 30 BDEDLO C[C@H]1CCC(=[NH+]n2cccn2)[C@@H](n2cncn2)C1 ZINC000863163696 589266061 /nfs/dbraw/zinc/26/60/61/589266061.db2.gz MOFVGKFTGLBJIB-JQWIXIFHSA-N 1 2 244.302 1.740 20 30 BDEDLO COC1CC(O[NH+]=C(N)c2ccc(F)cc2)C1 ZINC000863454257 589289069 /nfs/dbraw/zinc/28/90/69/589289069.db2.gz IXPAGTCVHPTHQW-UHFFFAOYSA-N 1 2 238.262 1.640 20 30 BDEDLO CO[C@H]1C[C@@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000864346068 589353935 /nfs/dbraw/zinc/35/39/35/589353935.db2.gz NEBRJHDQISJABP-PMSNGJROSA-N 1 2 235.283 1.942 20 30 BDEDLO C=C1CC(C)(C(=O)NC2=[NH+]CCS2)C1 ZINC000864603767 589382264 /nfs/dbraw/zinc/38/22/64/589382264.db2.gz GXHVLEUFKNFTHX-UHFFFAOYSA-N 1 2 210.302 1.562 20 30 BDEDLO Cc1cc(C#N)cc(-n2c[nH+]c(CCCO)c2)n1 ZINC000865524776 589443414 /nfs/dbraw/zinc/44/34/14/589443414.db2.gz PPIMCKYNCTTZJR-UHFFFAOYSA-N 1 2 242.282 1.372 20 30 BDEDLO CCOCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866239043 589482159 /nfs/dbraw/zinc/48/21/59/589482159.db2.gz TUWOOSPRBWKGFS-SNVBAGLBSA-N 1 2 234.299 1.951 20 30 BDEDLO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866355923 589487834 /nfs/dbraw/zinc/48/78/34/589487834.db2.gz GWPFPVJAIWOGDX-QWRGUYRKSA-N 1 2 247.342 1.865 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C#CC1CC1 ZINC000868679246 589572454 /nfs/dbraw/zinc/57/24/54/589572454.db2.gz SGVOZIHTUZYXAF-SNVBAGLBSA-N 1 2 231.299 1.494 20 30 BDEDLO C=C(Br)C[NH2+][C@H](C)CC#N ZINC000122306240 589577929 /nfs/dbraw/zinc/57/79/29/589577929.db2.gz LFBDFDSZXTZQPB-SSDOTTSWSA-N 1 2 203.083 1.787 20 30 BDEDLO C[C@H](NC(=O)c1coc(C#N)c1)c1[nH+]ccn1C ZINC000869301914 589597081 /nfs/dbraw/zinc/59/70/81/589597081.db2.gz NXVJJAHSOHVQJW-QMMMGPOBSA-N 1 2 244.254 1.376 20 30 BDEDLO COCCCON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872375460 589925777 /nfs/dbraw/zinc/92/57/77/589925777.db2.gz FJQZTNJQRBBEHE-UHFFFAOYSA-N 1 2 234.259 1.297 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872601326 589956039 /nfs/dbraw/zinc/95/60/39/589956039.db2.gz PCNGRMIDWXLGLK-NWDGAFQWSA-N 1 2 235.331 1.188 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872601326 589956041 /nfs/dbraw/zinc/95/60/41/589956041.db2.gz PCNGRMIDWXLGLK-NWDGAFQWSA-N 1 2 235.331 1.188 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H](CC)CCC)CC1 ZINC000874467412 590113466 /nfs/dbraw/zinc/11/34/66/590113466.db2.gz NALIUBUOLOXSHG-CYBMUJFWSA-N 1 2 236.359 1.590 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000876560716 590215989 /nfs/dbraw/zinc/21/59/89/590215989.db2.gz KDAUNGYFSHIUQL-SNVBAGLBSA-N 1 2 237.690 1.173 20 30 BDEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000876560716 590215990 /nfs/dbraw/zinc/21/59/90/590215990.db2.gz KDAUNGYFSHIUQL-SNVBAGLBSA-N 1 2 237.690 1.173 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C)cc1O ZINC000877585546 590367381 /nfs/dbraw/zinc/36/73/81/590367381.db2.gz JEEOMPYSXHCHAM-CYBMUJFWSA-N 1 2 231.295 1.535 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877585546 590367383 /nfs/dbraw/zinc/36/73/83/590367383.db2.gz JEEOMPYSXHCHAM-CYBMUJFWSA-N 1 2 231.295 1.535 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@@H]1C[C@H]1C ZINC000877710925 590398945 /nfs/dbraw/zinc/39/89/45/590398945.db2.gz ZHJHPMZTDMFAML-ZJUUUORDSA-N 1 2 210.277 1.031 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H]1C[C@H]1C ZINC000877710925 590398950 /nfs/dbraw/zinc/39/89/50/590398950.db2.gz ZHJHPMZTDMFAML-ZJUUUORDSA-N 1 2 210.277 1.031 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000878409287 590562148 /nfs/dbraw/zinc/56/21/48/590562148.db2.gz IQHXALFZERWHTA-GHMZBOCLSA-N 1 2 229.320 1.365 20 30 BDEDLO C#CCN(Cc1[nH+]ccn1CC(F)F)C1CC1 ZINC000878434583 590567019 /nfs/dbraw/zinc/56/70/19/590567019.db2.gz NQMICQOUCHJLSH-UHFFFAOYSA-N 1 2 239.269 1.746 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nocc1C)[C@@H]1CCCO1 ZINC000878453970 590570240 /nfs/dbraw/zinc/57/02/40/590570240.db2.gz QCSYCMJKJKGPAM-PWSUYJOCSA-N 1 2 220.272 1.253 20 30 BDEDLO C=CC[C@@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493530 590579514 /nfs/dbraw/zinc/57/95/14/590579514.db2.gz OCLNOWSKEGJOSM-BDAKNGLRSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493530 590579515 /nfs/dbraw/zinc/57/95/15/590579515.db2.gz OCLNOWSKEGJOSM-BDAKNGLRSA-N 1 2 205.248 1.653 20 30 BDEDLO N#Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000878629341 590597943 /nfs/dbraw/zinc/59/79/43/590597943.db2.gz VSJYCKWNXILLDT-UHFFFAOYSA-N 1 2 228.255 1.433 20 30 BDEDLO CC#CCN(C)Cc1[nH+]ccn1CC(F)F ZINC000878655960 590603356 /nfs/dbraw/zinc/60/33/56/590603356.db2.gz DJUOLJGFFPAFEE-UHFFFAOYSA-N 1 2 227.258 1.603 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878813390 590627000 /nfs/dbraw/zinc/62/70/00/590627000.db2.gz WYASLMWLYYWSST-HRDYMLBCSA-N 1 2 231.242 1.301 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878813390 590627001 /nfs/dbraw/zinc/62/70/01/590627001.db2.gz WYASLMWLYYWSST-HRDYMLBCSA-N 1 2 231.242 1.301 20 30 BDEDLO C#CC[N@@H+](C/C=C/Cl)C1CSC1 ZINC000878912471 590636768 /nfs/dbraw/zinc/63/67/68/590636768.db2.gz FKXZAYAXUWXNHH-ONEGZZNKSA-N 1 2 201.722 1.790 20 30 BDEDLO C#CC[N@H+](C/C=C/Cl)C1CSC1 ZINC000878912471 590636771 /nfs/dbraw/zinc/63/67/71/590636771.db2.gz FKXZAYAXUWXNHH-ONEGZZNKSA-N 1 2 201.722 1.790 20 30 BDEDLO C#CC1(F)CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000878909073 590644514 /nfs/dbraw/zinc/64/45/14/590644514.db2.gz JRIHNKKEYLMILD-UHFFFAOYSA-N 1 2 247.273 1.887 20 30 BDEDLO C#CC[N@@H+](Cc1nccnc1C)C1CSC1 ZINC000878909601 590645697 /nfs/dbraw/zinc/64/56/97/590645697.db2.gz VJECEWIYLIFRMY-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CC[N@H+](Cc1nccnc1C)C1CSC1 ZINC000878909601 590645698 /nfs/dbraw/zinc/64/56/98/590645698.db2.gz VJECEWIYLIFRMY-UHFFFAOYSA-N 1 2 233.340 1.336 20 30 BDEDLO C#CC[N@@H+](Cc1cccnc1C)C1CSC1 ZINC000878910082 590646717 /nfs/dbraw/zinc/64/67/17/590646717.db2.gz HHMQHGGTCVAIGJ-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@H+](Cc1cccnc1C)C1CSC1 ZINC000878910082 590646718 /nfs/dbraw/zinc/64/67/18/590646718.db2.gz HHMQHGGTCVAIGJ-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO CC[N@H+](CCc1ccc(C(N)=O)cc1)[C@H](C)C#N ZINC000878987239 590669352 /nfs/dbraw/zinc/66/93/52/590669352.db2.gz DUAQUIVORRXMML-LLVKDONJSA-N 1 2 245.326 1.562 20 30 BDEDLO CC[N@@H+](CCc1ccc(C(N)=O)cc1)[C@H](C)C#N ZINC000878987239 590669354 /nfs/dbraw/zinc/66/93/54/590669354.db2.gz DUAQUIVORRXMML-LLVKDONJSA-N 1 2 245.326 1.562 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nocc1C ZINC000878999519 590674538 /nfs/dbraw/zinc/67/45/38/590674538.db2.gz OMPASTXVJNBLDK-UHFFFAOYSA-N 1 2 222.288 1.455 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nocc1C ZINC000878999519 590674544 /nfs/dbraw/zinc/67/45/44/590674544.db2.gz OMPASTXVJNBLDK-UHFFFAOYSA-N 1 2 222.288 1.455 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000879225343 590717852 /nfs/dbraw/zinc/71/78/52/590717852.db2.gz YYAKRWHQRHUKOT-JTQLQIEISA-N 1 2 247.342 1.986 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000879225343 590717855 /nfs/dbraw/zinc/71/78/55/590717855.db2.gz YYAKRWHQRHUKOT-JTQLQIEISA-N 1 2 247.342 1.986 20 30 BDEDLO C=CC(C)(C)CC(=O)NCCc1c[nH+]cn1C ZINC000879441701 590771331 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/nfs/dbraw/zinc/67/98/68/631679868.db2.gz ROHHBUTZCCXWPG-UWVGGRQHSA-N 1 2 237.328 1.624 20 30 BDEDLO O=C1c2ccc(O)cc2C/C1=C\c1[nH]cc[nH+]1 ZINC000780186911 631776843 /nfs/dbraw/zinc/77/68/43/631776843.db2.gz QABBFDASFGBCPM-VQHVLOKHSA-N 1 2 226.235 1.938 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(COC)no1 ZINC000934462522 631854126 /nfs/dbraw/zinc/85/41/26/631854126.db2.gz XFXVTWJRLLNAEN-SECBINFHSA-N 1 2 223.276 1.366 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(COC)no1 ZINC000934462522 631854128 /nfs/dbraw/zinc/85/41/28/631854128.db2.gz XFXVTWJRLLNAEN-SECBINFHSA-N 1 2 223.276 1.366 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cccnn1 ZINC000934462947 631856225 /nfs/dbraw/zinc/85/62/25/631856225.db2.gz SDSXJGDNCKBFHE-JTQLQIEISA-N 1 2 232.287 1.066 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cccnn1 ZINC000934462947 631856228 /nfs/dbraw/zinc/85/62/28/631856228.db2.gz SDSXJGDNCKBFHE-JTQLQIEISA-N 1 2 232.287 1.066 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000934463499 631856845 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/nfs/dbraw/zinc/00/10/54/633001054.db2.gz ZBEUENKUZFCJMY-UHFFFAOYSA-N 1 2 228.336 1.867 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OCC ZINC000895591631 636165278 /nfs/dbraw/zinc/16/52/78/636165278.db2.gz CJFPZBUZZZGFOG-TUAOUCFPSA-N 1 2 243.347 1.897 20 30 BDEDLO CCC[C@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931328646 634350697 /nfs/dbraw/zinc/35/06/97/634350697.db2.gz FOGKZNVENNECQJ-SNVBAGLBSA-N 1 2 242.282 1.985 20 30 BDEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000893552410 635149084 /nfs/dbraw/zinc/14/90/84/635149084.db2.gz SZGCPRAPKDIHIH-UHFFFAOYSA-N 1 2 208.261 1.928 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907640 636250844 /nfs/dbraw/zinc/25/08/44/636250844.db2.gz PYOVJTLEFYTZMZ-SECBINFHSA-N 1 2 220.276 1.193 20 30 BDEDLO COC(=O)CCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000079830776 636725211 /nfs/dbraw/zinc/72/52/11/636725211.db2.gz CLSRCSZNSUIDMX-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO COC(=O)CCC[N@H+]1CCC[C@H](C#N)C1 ZINC000079830776 636725220 /nfs/dbraw/zinc/72/52/20/636725220.db2.gz CLSRCSZNSUIDMX-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO CC(C)(CNC(=O)CCCCC#N)n1cc[nH+]c1 ZINC000898910566 637063208 /nfs/dbraw/zinc/06/32/08/637063208.db2.gz SVODSKOJXCFMJG-UHFFFAOYSA-N 1 2 248.330 1.818 20 30 BDEDLO CN(C(=O)CNc1cccc[nH+]1)C1(C#N)CCC1 ZINC000900355143 637180050 /nfs/dbraw/zinc/18/00/50/637180050.db2.gz RUSHJCUULXBBFT-UHFFFAOYSA-N 1 2 244.298 1.398 20 30 BDEDLO C=CC[C@@H]([NH2+]CCSC)C(=O)OC ZINC000905746946 637897009 /nfs/dbraw/zinc/89/70/09/637897009.db2.gz FZNGYQPMOZVMES-MRVPVSSYSA-N 1 2 203.307 1.057 20 30 BDEDLO Cc1cc(C)c(C(=O)N(C)[C@@H](C)C#N)c(C)[nH+]1 ZINC000905727815 637899992 /nfs/dbraw/zinc/89/99/92/637899992.db2.gz GMGXKZWTEKCFPH-JTQLQIEISA-N 1 2 231.299 1.991 20 30 BDEDLO C=CC[C@H]([NH2+]CCC(C)(C)OC)C(=O)OC ZINC000905779792 637908755 /nfs/dbraw/zinc/90/87/55/637908755.db2.gz ZNBNPPYJJVIXEF-JTQLQIEISA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)C(=O)OC ZINC000905760438 637914117 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ZINC000905770946 637924480 /nfs/dbraw/zinc/92/44/80/637924480.db2.gz GLZMMKRQECOKNP-NSHDSACASA-N 1 2 241.331 1.389 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H]1C(C)C)C(=O)OC ZINC000905772394 637926483 /nfs/dbraw/zinc/92/64/83/637926483.db2.gz OBIARKIKNUAMNW-GARJFASQSA-N 1 2 211.305 1.738 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C(=O)OC ZINC000905771989 637926668 /nfs/dbraw/zinc/92/66/68/637926668.db2.gz BGSIGFOIDDYZMI-PSASIEDQSA-N 1 2 233.258 1.739 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000905773933 637929653 /nfs/dbraw/zinc/92/96/53/637929653.db2.gz LNPLKAKEIYHPJW-DTWKUNHWSA-N 1 2 247.285 1.985 20 30 BDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907949801 638520333 /nfs/dbraw/zinc/52/03/33/638520333.db2.gz ZUNPEHUUJBTRGX-ZWNOBZJWSA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@@H](NC(=O)CNc1cccc[nH+]1)C(C)(C)C ZINC000908225066 638603897 /nfs/dbraw/zinc/60/38/97/638603897.db2.gz MDWVRPGZOHUZKC-LLVKDONJSA-N 1 2 245.326 1.658 20 30 BDEDLO CC(C)(CC#N)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000909880722 639252608 /nfs/dbraw/zinc/25/26/08/639252608.db2.gz SBQNNJPYAJJMMX-UHFFFAOYSA-N 1 2 220.276 1.008 20 30 BDEDLO C#CC1(O)CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC000931145414 640077886 /nfs/dbraw/zinc/07/78/86/640077886.db2.gz RACCREFFJUGMFB-SNVBAGLBSA-N 1 2 249.314 1.153 20 30 BDEDLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCCC#N)C2 ZINC000931312182 640147307 /nfs/dbraw/zinc/14/73/07/640147307.db2.gz QEBGZPLWKNFNRE-UHFFFAOYSA-N 1 2 218.260 1.110 20 30 BDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCCC#N)C2 ZINC000931312182 640147317 /nfs/dbraw/zinc/14/73/17/640147317.db2.gz QEBGZPLWKNFNRE-UHFFFAOYSA-N 1 2 218.260 1.110 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000912706897 640172812 /nfs/dbraw/zinc/17/28/12/640172812.db2.gz DCKOHDAWZBQPQV-TXEJJXNPSA-N 1 2 231.299 1.662 20 30 BDEDLO CC#CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932077610 640422188 /nfs/dbraw/zinc/42/21/88/640422188.db2.gz CVMIGMDEKPLPEI-MRVPVSSYSA-N 1 2 223.263 1.989 20 30 BDEDLO CC#CC[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932077610 640422191 /nfs/dbraw/zinc/42/21/91/640422191.db2.gz CVMIGMDEKPLPEI-MRVPVSSYSA-N 1 2 223.263 1.989 20 30 BDEDLO Cn1ccc([C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000932139321 640436861 /nfs/dbraw/zinc/43/68/61/640436861.db2.gz MUQQAYADOVFJRT-NSHDSACASA-N 1 2 218.304 1.513 20 30 BDEDLO Cn1ccc([C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000932139321 640436865 /nfs/dbraw/zinc/43/68/65/640436865.db2.gz MUQQAYADOVFJRT-NSHDSACASA-N 1 2 218.304 1.513 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)n(C)n1)C(C)C ZINC000932383768 640512015 /nfs/dbraw/zinc/51/20/15/640512015.db2.gz LIAONVNSGBNPSG-UHFFFAOYSA-N 1 2 205.305 1.572 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)n(C)n1)C(C)C ZINC000932383768 640512021 /nfs/dbraw/zinc/51/20/21/640512021.db2.gz LIAONVNSGBNPSG-UHFFFAOYSA-N 1 2 205.305 1.572 20 30 BDEDLO COCC#CC[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932357591 640498629 /nfs/dbraw/zinc/49/86/29/640498629.db2.gz PLYGKKXMKQGMMA-LBPRGKRZSA-N 1 2 231.299 1.167 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(C)[nH]1)C(C)(C)C ZINC000932462461 640534607 /nfs/dbraw/zinc/53/46/07/640534607.db2.gz ZSMRTMJDZUPANC-UHFFFAOYSA-N 1 2 206.293 1.347 20 30 BDEDLO C#CC[N@H+](Cc1nnc(C)[nH]1)C(C)(C)C ZINC000932462461 640534609 /nfs/dbraw/zinc/53/46/09/640534609.db2.gz ZSMRTMJDZUPANC-UHFFFAOYSA-N 1 2 206.293 1.347 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(CC)o1)C(C)(C)C ZINC000932465869 640538893 /nfs/dbraw/zinc/53/88/93/640538893.db2.gz ONRSYYVOHKFBGS-UHFFFAOYSA-N 1 2 221.304 1.866 20 30 BDEDLO C#CC[N@H+](Cc1nnc(CC)o1)C(C)(C)C ZINC000932465869 640538896 /nfs/dbraw/zinc/53/88/96/640538896.db2.gz ONRSYYVOHKFBGS-UHFFFAOYSA-N 1 2 221.304 1.866 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CC(C)(F)F)CC1 ZINC000950084249 640664195 /nfs/dbraw/zinc/66/41/95/640664195.db2.gz DQVILDCJGOBMLA-UHFFFAOYSA-N 1 2 244.285 1.199 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001030198890 640673533 /nfs/dbraw/zinc/67/35/33/640673533.db2.gz VZFBNEDRWVMPEC-UHFFFAOYSA-N 1 2 248.370 1.492 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC001030359680 640788249 /nfs/dbraw/zinc/78/82/49/640788249.db2.gz OMQHJIAVMHNOFY-OLZOCXBDSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001030501236 640886529 /nfs/dbraw/zinc/88/65/29/640886529.db2.gz ROLBDBQFDPNKRO-JTQLQIEISA-N 1 2 244.285 1.408 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001030564142 640918013 /nfs/dbraw/zinc/91/80/13/640918013.db2.gz CFMMMTLPKUFXQS-DYEKYZERSA-N 1 2 248.370 1.799 20 30 BDEDLO C=C(Br)C[NH+]1CCC(C)(O)CC1 ZINC000087781516 641038798 /nfs/dbraw/zinc/03/87/98/641038798.db2.gz FIGLFJFUBODRJE-UHFFFAOYSA-N 1 2 234.137 1.742 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934257183 641115273 /nfs/dbraw/zinc/11/52/73/641115273.db2.gz YRJQFYHZQCOOQN-VXGBXAGGSA-N 1 2 244.766 1.270 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934257183 641115275 /nfs/dbraw/zinc/11/52/75/641115275.db2.gz YRJQFYHZQCOOQN-VXGBXAGGSA-N 1 2 244.766 1.270 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CC)no1 ZINC000934469999 641164136 /nfs/dbraw/zinc/16/41/36/641164136.db2.gz AKXNFUOKDBOQPP-VIFPVBQESA-N 1 2 207.277 1.782 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CC)no1 ZINC000934469999 641164142 /nfs/dbraw/zinc/16/41/42/641164142.db2.gz AKXNFUOKDBOQPP-VIFPVBQESA-N 1 2 207.277 1.782 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1CCCCS(C)(=O)=O ZINC000934511950 641178472 /nfs/dbraw/zinc/17/84/72/641178472.db2.gz AZBFJLGIOSEDCI-GFCCVEGCSA-N 1 2 243.372 1.299 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1CCCCS(C)(=O)=O ZINC000934511950 641178477 /nfs/dbraw/zinc/17/84/77/641178477.db2.gz AZBFJLGIOSEDCI-GFCCVEGCSA-N 1 2 243.372 1.299 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)ccc1C#N ZINC000934570251 641199228 /nfs/dbraw/zinc/19/92/28/641199228.db2.gz CTDWGGUTEXYGFN-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)ccc1C#N ZINC000934570251 641199235 /nfs/dbraw/zinc/19/92/35/641199235.db2.gz CTDWGGUTEXYGFN-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001030869426 641392002 /nfs/dbraw/zinc/39/20/02/641392002.db2.gz PBAUPGSHABXKOY-QWHCGFSZSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCC[C@@H]2C)C1 ZINC001030909056 641415910 /nfs/dbraw/zinc/41/59/10/641415910.db2.gz OTXNKUIZQSQJPF-SWLSCSKDSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001030971506 641537680 /nfs/dbraw/zinc/53/76/80/641537680.db2.gz MOFGDIUNGNMOGI-UHFFFAOYSA-N 1 2 248.330 1.017 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031007241 641584318 /nfs/dbraw/zinc/58/43/18/641584318.db2.gz CWNPZOMXCKQLDO-NSHDSACASA-N 1 2 220.316 1.163 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C(C2CC2)C2CC2)C1 ZINC001031229080 641831053 /nfs/dbraw/zinc/83/10/53/641831053.db2.gz HVLDEINRTUAALM-UHFFFAOYSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001031236407 641834776 /nfs/dbraw/zinc/83/47/76/641834776.db2.gz WBZRDRCGUHBDGH-LBPRGKRZSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000950714488 641940034 /nfs/dbraw/zinc/94/00/34/641940034.db2.gz AOCOTYNYSUYHKK-LLVKDONJSA-N 1 2 220.316 1.117 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H](C(C)C)CC1=O ZINC000154975747 642336549 /nfs/dbraw/zinc/33/65/49/642336549.db2.gz VYGPNVSOKAJGCF-LLVKDONJSA-N 1 2 210.321 1.566 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H](C(C)C)CC1=O ZINC000154975747 642336556 /nfs/dbraw/zinc/33/65/56/642336556.db2.gz VYGPNVSOKAJGCF-LLVKDONJSA-N 1 2 210.321 1.566 20 30 BDEDLO CCn1c[nH+]c2c1CCN(CCO[C@H](C)C#N)C2 ZINC000933254821 642424301 /nfs/dbraw/zinc/42/43/01/642424301.db2.gz UREZJTZYGGXOBP-LLVKDONJSA-N 1 2 248.330 1.190 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(C)=O)C1 ZINC000964509376 642753899 /nfs/dbraw/zinc/75/38/99/642753899.db2.gz HKKARTRBKOGGLM-LDYMZIIASA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(C)=O)C1 ZINC000964509374 642753724 /nfs/dbraw/zinc/75/37/24/642753724.db2.gz HKKARTRBKOGGLM-KCJUWKMLSA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(C)=O)C1 ZINC000964509374 642753731 /nfs/dbraw/zinc/75/37/31/642753731.db2.gz HKKARTRBKOGGLM-KCJUWKMLSA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(C)=O)C1 ZINC000964509376 642753889 /nfs/dbraw/zinc/75/38/89/642753889.db2.gz HKKARTRBKOGGLM-LDYMZIIASA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016059965 642948289 /nfs/dbraw/zinc/94/82/89/642948289.db2.gz JRNOPJFGGNTKCU-SNVBAGLBSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001016059965 642948296 /nfs/dbraw/zinc/94/82/96/642948296.db2.gz JRNOPJFGGNTKCU-SNVBAGLBSA-N 1 2 244.766 1.976 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001017289722 642969485 /nfs/dbraw/zinc/96/94/85/642969485.db2.gz VYSRDJKJNCJXET-BETUJISGSA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001017289722 642969491 /nfs/dbraw/zinc/96/94/91/642969491.db2.gz VYSRDJKJNCJXET-BETUJISGSA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001017973415 642984189 /nfs/dbraw/zinc/98/41/89/642984189.db2.gz NZLDMGFITHPKJE-YIYPIFLZSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001017973415 642984191 /nfs/dbraw/zinc/98/41/91/642984191.db2.gz NZLDMGFITHPKJE-YIYPIFLZSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@H+](Cc1nnc2n1CCCC2)C(C)(C)C ZINC000932463725 643271196 /nfs/dbraw/zinc/27/11/96/643271196.db2.gz MONIJDLHSHZGIH-UHFFFAOYSA-N 1 2 246.358 1.848 20 30 BDEDLO C#CC[N@@H+](Cc1nnc2n1CCCC2)C(C)(C)C ZINC000932463725 643271200 /nfs/dbraw/zinc/27/12/00/643271200.db2.gz MONIJDLHSHZGIH-UHFFFAOYSA-N 1 2 246.358 1.848 20 30 BDEDLO C=C(C)CNC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044139010 643539951 /nfs/dbraw/zinc/53/99/51/643539951.db2.gz PONPKQVLMOMMAC-JTQLQIEISA-N 1 2 238.360 1.312 20 30 BDEDLO Cn1ccc(C[NH2+]Cc2csc(C#N)c2)n1 ZINC000921949109 643831830 /nfs/dbraw/zinc/83/18/30/643831830.db2.gz VUSHVANMVJVMRS-UHFFFAOYSA-N 1 2 232.312 1.643 20 30 BDEDLO C#CCCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922582474 644034969 /nfs/dbraw/zinc/03/49/69/644034969.db2.gz UOJKVTMHCXYNQW-UHFFFAOYSA-N 1 2 232.283 1.901 20 30 BDEDLO N#CCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922743565 644086492 /nfs/dbraw/zinc/08/64/92/644086492.db2.gz SNAVRRLCOIRUQP-UHFFFAOYSA-N 1 2 219.244 1.401 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000957798933 644754401 /nfs/dbraw/zinc/75/44/01/644754401.db2.gz JDSXKHOXIVWVKZ-LBPRGKRZSA-N 1 2 236.359 1.753 20 30 BDEDLO CC[C@H]([NH2+]C/C=C\CO)c1cccc(C#N)c1O ZINC000926689211 645358323 /nfs/dbraw/zinc/35/83/23/645358323.db2.gz NRCWBHBJTIOMSX-SCOBNMCVSA-N 1 2 246.310 1.853 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000847017251 645415486 /nfs/dbraw/zinc/41/54/86/645415486.db2.gz AKAYOOJWRZMGAF-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000847017251 645415488 /nfs/dbraw/zinc/41/54/88/645415488.db2.gz AKAYOOJWRZMGAF-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](CC=C(Cl)Cl)C1 ZINC000852205385 645472475 /nfs/dbraw/zinc/47/24/75/645472475.db2.gz LCZZVDWIRBDFJB-VIFPVBQESA-N 1 2 235.114 1.656 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852205385 645472483 /nfs/dbraw/zinc/47/24/83/645472483.db2.gz LCZZVDWIRBDFJB-VIFPVBQESA-N 1 2 235.114 1.656 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000855007152 645517122 /nfs/dbraw/zinc/51/71/22/645517122.db2.gz MBRPGGLQEHJLMX-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927779253 645657955 /nfs/dbraw/zinc/65/79/55/645657955.db2.gz WZMUMNQYRQZNGT-JTQLQIEISA-N 1 2 249.314 1.261 20 30 BDEDLO C#C[C@H]1CC[C@H](Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000872779272 645769023 /nfs/dbraw/zinc/76/90/23/645769023.db2.gz UFAKDMKNVWZCTQ-MGCOHNPYSA-N 1 2 231.303 1.366 20 30 BDEDLO C#C[C@H]1CC[C@H](Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000872779272 645769028 /nfs/dbraw/zinc/76/90/28/645769028.db2.gz UFAKDMKNVWZCTQ-MGCOHNPYSA-N 1 2 231.303 1.366 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@@H+](C)C[C@H](C)O3)n2)C1 ZINC000924122572 645986130 /nfs/dbraw/zinc/98/61/30/645986130.db2.gz NFIWMVXAINUTJM-ONGXEEELSA-N 1 2 249.314 1.895 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@H+](C)C[C@H](C)O3)n2)C1 ZINC000924122572 645986141 /nfs/dbraw/zinc/98/61/41/645986141.db2.gz NFIWMVXAINUTJM-ONGXEEELSA-N 1 2 249.314 1.895 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(N)nc1 ZINC000929720905 646274200 /nfs/dbraw/zinc/27/42/00/646274200.db2.gz UAKITGFNOWDICC-UHFFFAOYSA-N 1 2 213.284 1.122 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(N)nc1 ZINC000929720905 646274203 /nfs/dbraw/zinc/27/42/03/646274203.db2.gz UAKITGFNOWDICC-UHFFFAOYSA-N 1 2 213.284 1.122 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)c1ccc(F)nc1 ZINC000929759104 646292321 /nfs/dbraw/zinc/29/23/21/646292321.db2.gz WIBYGYLLMPQCNB-LLVKDONJSA-N 1 2 216.259 1.850 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000929785871 646313577 /nfs/dbraw/zinc/31/35/77/646313577.db2.gz FRBHAVOLYNOQPJ-OLZOCXBDSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000929785871 646313582 /nfs/dbraw/zinc/31/35/82/646313582.db2.gz FRBHAVOLYNOQPJ-OLZOCXBDSA-N 1 2 234.274 1.847 20 30 BDEDLO C[C@@H](O)c1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000393749184 711677107 /nfs/dbraw/zinc/67/71/07/711677107.db2.gz MWBZPYDFUPXMMK-MRVPVSSYSA-N 1 2 237.328 1.590 20 30 BDEDLO C#CC[N@@H+](Cc1cnc(OC)s1)C(C)C ZINC000897170775 711784929 /nfs/dbraw/zinc/78/49/29/711784929.db2.gz HJWDFCIGTYFKAS-UHFFFAOYSA-N 1 2 224.329 1.995 20 30 BDEDLO C#CC[N@H+](Cc1cnc(OC)s1)C(C)C ZINC000897170775 711784930 /nfs/dbraw/zinc/78/49/30/711784930.db2.gz HJWDFCIGTYFKAS-UHFFFAOYSA-N 1 2 224.329 1.995 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038051972 711818038 /nfs/dbraw/zinc/81/80/38/711818038.db2.gz HWVOJZAIHXSHAF-CHWSQXEVSA-N 1 2 232.327 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038051972 711818040 /nfs/dbraw/zinc/81/80/40/711818040.db2.gz HWVOJZAIHXSHAF-CHWSQXEVSA-N 1 2 232.327 1.166 20 30 BDEDLO COc1cncc(C[NH2+]C[C@@H](C)C#N)c1 ZINC000700091350 711986110 /nfs/dbraw/zinc/98/61/10/711986110.db2.gz GMGXCLAVDOBDCY-VIFPVBQESA-N 1 2 205.261 1.339 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000380206797 712725068 /nfs/dbraw/zinc/72/50/68/712725068.db2.gz WWARUFYQVWVSMI-UHFFFAOYSA-N 1 2 205.236 1.614 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCCCC1 ZINC001038001566 712897908 /nfs/dbraw/zinc/89/79/08/712897908.db2.gz CBYIXCOSBDBJJQ-CYBMUJFWSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCCCC1 ZINC001038001566 712897909 /nfs/dbraw/zinc/89/79/09/712897909.db2.gz CBYIXCOSBDBJJQ-CYBMUJFWSA-N 1 2 234.343 1.390 20 30 BDEDLO Nc1ncccc1C=[NH+]O[C@@H]1CCCCO1 ZINC000381279314 710615995 /nfs/dbraw/zinc/61/59/95/710615995.db2.gz XSXASJMUUZQXGF-SNVBAGLBSA-N 1 2 221.260 1.541 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1onc(C)c1C ZINC001038388563 710684458 /nfs/dbraw/zinc/68/44/58/710684458.db2.gz BOZJAYJLDSBIAC-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1onc(C)c1C ZINC001038388563 710684462 /nfs/dbraw/zinc/68/44/62/710684462.db2.gz BOZJAYJLDSBIAC-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038612334 710699620 /nfs/dbraw/zinc/69/96/20/710699620.db2.gz WLGSYLHNLBCNBP-OLZOCXBDSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038612334 710699622 /nfs/dbraw/zinc/69/96/22/710699622.db2.gz WLGSYLHNLBCNBP-OLZOCXBDSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001038675447 710700771 /nfs/dbraw/zinc/70/07/71/710700771.db2.gz YFONCAOUUXMOQY-CHWSQXEVSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001038675447 710700775 /nfs/dbraw/zinc/70/07/75/710700775.db2.gz YFONCAOUUXMOQY-CHWSQXEVSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001038680576 710701934 /nfs/dbraw/zinc/70/19/34/710701934.db2.gz JPOLQSCBPKSCGR-JHJVBQTASA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001038680576 710701935 /nfs/dbraw/zinc/70/19/35/710701935.db2.gz JPOLQSCBPKSCGR-JHJVBQTASA-N 1 2 234.343 1.246 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001038674149 710702324 /nfs/dbraw/zinc/70/23/24/710702324.db2.gz LZRPLKKYCGSLAC-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001038674149 710702327 /nfs/dbraw/zinc/70/23/27/710702327.db2.gz LZRPLKKYCGSLAC-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001038682732 710702386 /nfs/dbraw/zinc/70/23/86/710702386.db2.gz SRNWWNJKBSQUMW-GFCCVEGCSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001038682732 710702390 /nfs/dbraw/zinc/70/23/90/710702390.db2.gz SRNWWNJKBSQUMW-GFCCVEGCSA-N 1 2 232.327 1.000 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccoc2)C1 ZINC001042474632 710786852 /nfs/dbraw/zinc/78/68/52/710786852.db2.gz ZWKLNXZNRDLWMI-UHFFFAOYSA-N 1 2 234.299 1.612 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccs2)C1 ZINC001042433013 710783320 /nfs/dbraw/zinc/78/33/20/710783320.db2.gz MMVLDPCPHCMLCO-UHFFFAOYSA-N 1 2 248.351 1.528 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001043157149 710804106 /nfs/dbraw/zinc/80/41/06/710804106.db2.gz GCTZNKVJRZLHCA-XQQFMLRXSA-N 1 2 248.370 1.751 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2C[C@@H]2C)C1 ZINC001043741021 710812124 /nfs/dbraw/zinc/81/21/24/710812124.db2.gz JCQLDGGYXLFUPU-NWDGAFQWSA-N 1 2 236.359 1.751 20 30 BDEDLO Cc1ncncc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903107083 710893193 /nfs/dbraw/zinc/89/31/93/710893193.db2.gz ZWXUGZZQRADTCP-SECBINFHSA-N 1 2 216.288 1.739 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](O)C(C)C ZINC000380854752 710592306 /nfs/dbraw/zinc/59/23/06/710592306.db2.gz CLNGQUBUFREDNQ-LLVKDONJSA-N 1 2 229.320 1.054 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](O)C(C)C ZINC000380854752 710592311 /nfs/dbraw/zinc/59/23/11/710592311.db2.gz CLNGQUBUFREDNQ-LLVKDONJSA-N 1 2 229.320 1.054 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001038184470 711474767 /nfs/dbraw/zinc/47/47/67/711474767.db2.gz DIGAEPQOMSXCHO-AWEZNQCLSA-N 1 2 246.354 1.701 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001038184470 711474769 /nfs/dbraw/zinc/47/47/69/711474769.db2.gz DIGAEPQOMSXCHO-AWEZNQCLSA-N 1 2 246.354 1.701 20 30 BDEDLO C#C[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000845498839 711484350 /nfs/dbraw/zinc/48/43/50/711484350.db2.gz KCFREFPQOLPRRJ-ZYHUDNBSSA-N 1 2 232.283 1.789 20 30 BDEDLO N#CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335333067 711724041 /nfs/dbraw/zinc/72/40/41/711724041.db2.gz SCUKIBJMAIQCIA-JTQLQIEISA-N 1 2 247.302 1.212 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000894759113 711772143 /nfs/dbraw/zinc/77/21/43/711772143.db2.gz RRAJGFUWSQEHBY-MNOVXSKESA-N 1 2 229.320 1.245 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1occc1C ZINC001038066218 711807540 /nfs/dbraw/zinc/80/75/40/711807540.db2.gz XWEJZKYJNWJTOQ-NSHDSACASA-N 1 2 234.299 1.578 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C ZINC001038066218 711807541 /nfs/dbraw/zinc/80/75/41/711807541.db2.gz XWEJZKYJNWJTOQ-NSHDSACASA-N 1 2 234.299 1.578 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C ZINC001038051567 711818006 /nfs/dbraw/zinc/81/80/06/711818006.db2.gz QQPZMYJUSLZDGA-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C ZINC001038051567 711818007 /nfs/dbraw/zinc/81/80/07/711818007.db2.gz QQPZMYJUSLZDGA-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CC1 ZINC001032464758 711919564 /nfs/dbraw/zinc/91/95/64/711919564.db2.gz XLBPGLYDGMGEEE-STQMWFEESA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CC1 ZINC001032464758 711919566 /nfs/dbraw/zinc/91/95/66/711919566.db2.gz XLBPGLYDGMGEEE-STQMWFEESA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(=C)C1 ZINC001032616406 711929264 /nfs/dbraw/zinc/92/92/64/711929264.db2.gz GJYLJEJJLPYEIR-STQMWFEESA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(=C)C1 ZINC001032616406 711929265 /nfs/dbraw/zinc/92/92/65/711929265.db2.gz GJYLJEJJLPYEIR-STQMWFEESA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCC2 ZINC001032655693 711931637 /nfs/dbraw/zinc/93/16/37/711931637.db2.gz VNYRSINZHCTKSP-AVGNSLFASA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCC2 ZINC001032655693 711931639 /nfs/dbraw/zinc/93/16/39/711931639.db2.gz VNYRSINZHCTKSP-AVGNSLFASA-N 1 2 244.338 1.095 20 30 BDEDLO Nc1cnccc1C=[NH+]NCC(F)(F)F ZINC000819811838 712590569 /nfs/dbraw/zinc/59/05/69/712590569.db2.gz DMVVDXHMNGDQIH-UHFFFAOYSA-N 1 2 218.182 1.150 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC=C[C@@H]2CO)c(F)c1 ZINC000880484243 712633355 /nfs/dbraw/zinc/63/33/55/712633355.db2.gz NJBFPCPUKMOGFR-GFCCVEGCSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC=C[C@@H]2CO)c(F)c1 ZINC000880484243 712633357 /nfs/dbraw/zinc/63/33/57/712633357.db2.gz NJBFPCPUKMOGFR-GFCCVEGCSA-N 1 2 232.258 1.430 20 30 BDEDLO C=CCC1(O)CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000717869773 712695578 /nfs/dbraw/zinc/69/55/78/712695578.db2.gz MVNFCSVLARGADO-UHFFFAOYSA-N 1 2 248.330 1.426 20 30 BDEDLO C=CCC1(O)CCN(c2cc(NC)nc[nH+]2)CC1 ZINC000717869773 712695579 /nfs/dbraw/zinc/69/55/79/712695579.db2.gz MVNFCSVLARGADO-UHFFFAOYSA-N 1 2 248.330 1.426 20 30 BDEDLO CC(C)=CC[NH+]1CC(NC(=O)C#CC(C)C)C1 ZINC001268297503 961548021 /nfs/dbraw/zinc/54/80/21/961548021.db2.gz VLLXOYCWZWVKTJ-UHFFFAOYSA-N 1 2 234.343 1.412 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NC1C[NH+](CC(=C)C)C1 ZINC001268437125 961773067 /nfs/dbraw/zinc/77/30/67/961773067.db2.gz HAIZAVFLCDIKBY-LBPRGKRZSA-N 1 2 236.359 1.965 20 30 BDEDLO CCC1(O)CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047217 965461411 /nfs/dbraw/zinc/46/14/11/965461411.db2.gz RVQQUWTUSHKESM-UHFFFAOYSA-N 1 2 233.315 1.623 20 30 BDEDLO Cn1ccnc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001205138163 967368841 /nfs/dbraw/zinc/36/88/41/967368841.db2.gz ZRVFJMZKXCZBOB-NSHDSACASA-N 1 2 218.304 1.546 20 30 BDEDLO C=CCOC[C@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252452945 968710564 /nfs/dbraw/zinc/71/05/64/968710564.db2.gz FOUKYNAYPSKIMJ-LLVKDONJSA-N 1 2 249.301 1.671 20 30 BDEDLO C=CCOC[C@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252452945 968710571 /nfs/dbraw/zinc/71/05/71/968710571.db2.gz FOUKYNAYPSKIMJ-LLVKDONJSA-N 1 2 249.301 1.671 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252549045 968785699 /nfs/dbraw/zinc/78/56/99/968785699.db2.gz ZTKOAGYVGMRGOL-NXEZZACHSA-N 1 2 219.275 1.901 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252549045 968785706 /nfs/dbraw/zinc/78/57/06/968785706.db2.gz ZTKOAGYVGMRGOL-NXEZZACHSA-N 1 2 219.275 1.901 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)o1 ZINC001333035444 975378765 /nfs/dbraw/zinc/37/87/65/975378765.db2.gz CGNPJDORTZHJRW-GFCCVEGCSA-N 1 2 218.256 1.516 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@]23CCOC3)o1 ZINC001333035444 975378770 /nfs/dbraw/zinc/37/87/70/975378770.db2.gz CGNPJDORTZHJRW-GFCCVEGCSA-N 1 2 218.256 1.516 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1nnc(C2CC2)s1 ZINC001334999563 976820219 /nfs/dbraw/zinc/82/02/19/976820219.db2.gz BCDSJXKJXMFGRN-SECBINFHSA-N 1 2 239.344 1.706 20 30 BDEDLO C#CC1(O)C[NH+](CCC[C@H](C)CCC)C1 ZINC001176793866 978179812 /nfs/dbraw/zinc/17/98/12/978179812.db2.gz XBTVRLRIBKCGDY-GFCCVEGCSA-N 1 2 209.333 1.883 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1cccnc1Cl ZINC001341254234 979296206 /nfs/dbraw/zinc/29/62/06/979296206.db2.gz ADKBXBJODDSUON-UHFFFAOYSA-N 1 2 238.718 1.817 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1cccnc1Cl ZINC001341254234 979296218 /nfs/dbraw/zinc/29/62/18/979296218.db2.gz ADKBXBJODDSUON-UHFFFAOYSA-N 1 2 238.718 1.817 20 30 BDEDLO C=C(C)CCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001196018092 982382587 /nfs/dbraw/zinc/38/25/87/982382587.db2.gz IVASAYCZJYEMQI-UHFFFAOYSA-N 1 2 242.338 1.847 20 30 BDEDLO C=C(C)CCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196018092 982382594 /nfs/dbraw/zinc/38/25/94/982382594.db2.gz IVASAYCZJYEMQI-UHFFFAOYSA-N 1 2 242.338 1.847 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OCC ZINC001331728947 974805385 /nfs/dbraw/zinc/80/53/85/974805385.db2.gz QNEPAVJGSKEVKS-GRYCIOLGSA-N 1 2 241.331 1.651 20 30 BDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CC)C(=O)OCC ZINC001257434421 971342312 /nfs/dbraw/zinc/34/23/12/971342312.db2.gz ZOHUBVWTSQKUAH-UMNHJUIQSA-N 1 2 211.305 1.882 20 30 BDEDLO C#Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001158767534 971451729 /nfs/dbraw/zinc/45/17/29/971451729.db2.gz LWLBQHCNBSWDFE-UHFFFAOYSA-N 1 2 239.278 1.962 20 30 BDEDLO C#Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001158767534 971451734 /nfs/dbraw/zinc/45/17/34/971451734.db2.gz LWLBQHCNBSWDFE-UHFFFAOYSA-N 1 2 239.278 1.962 20 30 BDEDLO COC(=O)C1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001257860163 971503255 /nfs/dbraw/zinc/50/32/55/971503255.db2.gz LZZMPTSJHMRGDI-MCIGGMRASA-N 1 2 236.315 1.706 20 30 BDEDLO COC(=O)C1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001257860163 971503257 /nfs/dbraw/zinc/50/32/57/971503257.db2.gz LZZMPTSJHMRGDI-MCIGGMRASA-N 1 2 236.315 1.706 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)CCc1[nH+]ccn1C ZINC001346392353 957525796 /nfs/dbraw/zinc/52/57/96/957525796.db2.gz WCWQHPLUDKVKDQ-NSHDSACASA-N 1 2 248.330 1.407 20 30 BDEDLO CN1C[C@@H](Nc2[nH+]cccc2CC#N)CCC1=O ZINC001167235034 957568025 /nfs/dbraw/zinc/56/80/25/957568025.db2.gz UVQUFIWDYQBBRI-NSHDSACASA-N 1 2 244.298 1.180 20 30 BDEDLO Cc1[nH+]cc(Nc2cncc(C#N)c2)cc1N ZINC001210286712 957715270 /nfs/dbraw/zinc/71/52/70/957715270.db2.gz FDORHWXCPQYZQH-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO C#Cc1cc(Nc2ccnc(C(C)=O)c2)cc[nH+]1 ZINC001210590174 957811491 /nfs/dbraw/zinc/81/14/91/957811491.db2.gz JDSLYUWPYAKEIF-UHFFFAOYSA-N 1 2 237.262 1.826 20 30 BDEDLO C#Cc1cc(Nc2cc(F)ncc2OC)cc[nH+]1 ZINC001215803909 958324971 /nfs/dbraw/zinc/32/49/71/958324971.db2.gz SNNGVTUVVWADBR-UHFFFAOYSA-N 1 2 243.241 1.771 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@H](C=C)C(=O)OC)C1 ZINC000692316438 958328661 /nfs/dbraw/zinc/32/86/61/958328661.db2.gz JMYPAGMKHBUZOF-WDEREUQCSA-N 1 2 207.273 1.059 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@H](C=C)C(=O)OC)C1 ZINC000692316438 958328677 /nfs/dbraw/zinc/32/86/77/958328677.db2.gz JMYPAGMKHBUZOF-WDEREUQCSA-N 1 2 207.273 1.059 20 30 BDEDLO C#CCC1([NH2+][C@H](C)C(=O)OCC)CCC1 ZINC000933300587 958351540 /nfs/dbraw/zinc/35/15/40/958351540.db2.gz ASDQGEDSAYLYDS-SNVBAGLBSA-N 1 2 209.289 1.474 20 30 BDEDLO Cc1cc(C#N)cnc1NCc1cc[nH+]c(N)c1 ZINC001167617495 959089309 /nfs/dbraw/zinc/08/93/09/959089309.db2.gz OXGQGKDPFNYHEY-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C#CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000692404554 959262165 /nfs/dbraw/zinc/26/21/65/959262165.db2.gz SPPBONULZPVSGQ-UHFFFAOYSA-N 1 2 231.299 1.145 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H](C=C)CC)C1 ZINC001267656661 960180770 /nfs/dbraw/zinc/18/07/70/960180770.db2.gz TYBCGRXJQVYXHJ-LBPRGKRZSA-N 1 2 234.343 1.412 20 30 BDEDLO C=CC[C@H](C)C(=O)NCCOc1cc[nH+]cc1 ZINC001144027337 972497353 /nfs/dbraw/zinc/49/73/53/972497353.db2.gz BMOJNZIDBWQWEJ-NSHDSACASA-N 1 2 234.299 1.789 20 30 BDEDLO C=C(C)CCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001353724800 960448678 /nfs/dbraw/zinc/44/86/78/960448678.db2.gz AAQDTPDWQLBWBM-NSHDSACASA-N 1 2 233.315 1.670 20 30 BDEDLO Cn1cnc2ccc(C[N@@H+]3CC[C@@H](C#N)C3)cc21 ZINC001140738663 960538267 /nfs/dbraw/zinc/53/82/67/960538267.db2.gz KRKYCIPMVQXDAB-LBPRGKRZSA-N 1 2 240.310 1.919 20 30 BDEDLO Cn1cnc2ccc(C[N@H+]3CC[C@@H](C#N)C3)cc21 ZINC001140738663 960538291 /nfs/dbraw/zinc/53/82/91/960538291.db2.gz KRKYCIPMVQXDAB-LBPRGKRZSA-N 1 2 240.310 1.919 20 30 BDEDLO N#C[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)CCO1 ZINC001141046586 960832608 /nfs/dbraw/zinc/83/26/08/960832608.db2.gz GXZQAOBAQNGGJK-GFCCVEGCSA-N 1 2 242.282 1.059 20 30 BDEDLO C#C[C@H](C)N(C)c1nccn2c[nH+]cc12 ZINC000893529093 960860909 /nfs/dbraw/zinc/86/09/09/960860909.db2.gz RKIILKUWSNKEIC-VIFPVBQESA-N 1 2 200.245 1.187 20 30 BDEDLO COC[C@@](C)(O)CC/[NH+]=C/c1ccccc1O ZINC000840706838 961187787 /nfs/dbraw/zinc/18/77/87/961187787.db2.gz LEWQBIQOSDACSR-FYQHACEVSA-N 1 2 237.299 1.599 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C#N)CC1 ZINC001142634553 961548091 /nfs/dbraw/zinc/54/80/91/961548091.db2.gz PUUMYWMOCWRNQW-UHFFFAOYSA-N 1 2 232.287 1.023 20 30 BDEDLO C=C(C)C(=O)OC[C@@H](C)Oc1cc[nH+]cc1 ZINC001225291471 962050216 /nfs/dbraw/zinc/05/02/16/962050216.db2.gz UYJFXTLYEGDTLX-SNVBAGLBSA-N 1 2 221.256 1.968 20 30 BDEDLO C=C(C)CCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156543188 963378394 /nfs/dbraw/zinc/37/83/94/963378394.db2.gz GQOJIRORTGDRHN-UHFFFAOYSA-N 1 2 221.304 1.945 20 30 BDEDLO C=C(C)CCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156543188 963378402 /nfs/dbraw/zinc/37/84/02/963378402.db2.gz GQOJIRORTGDRHN-UHFFFAOYSA-N 1 2 221.304 1.945 20 30 BDEDLO CCc1[nH]c(CNC(=O)CCCC#N)c[nH+]1 ZINC001156538395 963382355 /nfs/dbraw/zinc/38/23/55/963382355.db2.gz TXXIRJRRVBXINV-UHFFFAOYSA-N 1 2 220.276 1.282 20 30 BDEDLO CCc1[nH]cc(CNC(=O)CCCC#N)[nH+]1 ZINC001156538395 963382360 /nfs/dbraw/zinc/38/23/60/963382360.db2.gz TXXIRJRRVBXINV-UHFFFAOYSA-N 1 2 220.276 1.282 20 30 BDEDLO CN(Cc1ccno1)c1cc(CC#N)cc[nH+]1 ZINC001157354247 963582803 /nfs/dbraw/zinc/58/28/03/963582803.db2.gz URAKPDPNIRAUTD-UHFFFAOYSA-N 1 2 228.255 1.772 20 30 BDEDLO CO[C@@H]1COCC[C@H]1Nc1cc(CC#N)cc[nH+]1 ZINC001157410222 963601900 /nfs/dbraw/zinc/60/19/00/963601900.db2.gz QMYPWZPPTCLBKI-VXGBXAGGSA-N 1 2 247.298 1.363 20 30 BDEDLO CCN(CCn1cc[nH+]c1)c1ncccc1C#N ZINC001157459562 963619755 /nfs/dbraw/zinc/61/97/55/963619755.db2.gz AJPALIHJWSBWGO-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO CCN(CCn1cc[nH+]c1)c1nccnc1C#N ZINC001157460156 963620494 /nfs/dbraw/zinc/62/04/94/963620494.db2.gz QAHJMSKEMMZJBP-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO Nc1cc(NCC#Cc2ccccc2)[nH+]cn1 ZINC001159376313 964070001 /nfs/dbraw/zinc/07/00/01/964070001.db2.gz 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/nfs/dbraw/zinc/41/74/25/965417425.db2.gz MCEHTSMRPBZTIV-ZFWWWQNUSA-N 1 2 246.354 1.557 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001483673035 965417433 /nfs/dbraw/zinc/41/74/33/965417433.db2.gz MCEHTSMRPBZTIV-ZFWWWQNUSA-N 1 2 246.354 1.557 20 30 BDEDLO CC1(F)CN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001164589075 965930226 /nfs/dbraw/zinc/93/02/26/965930226.db2.gz LTOHEFLYUQHZQN-UHFFFAOYSA-N 1 2 230.246 1.983 20 30 BDEDLO C=CC(N[C@@H](C)C(=O)N(CC)CC)=[NH+]COC ZINC001164610161 965933145 /nfs/dbraw/zinc/93/31/45/965933145.db2.gz JNUQCBANHIFRHW-JTQLQIEISA-N 1 2 241.335 1.021 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cnc(Cl)n1C ZINC001203523396 966673918 /nfs/dbraw/zinc/67/39/18/966673918.db2.gz ZAEJRYSAPDXYIG-SSDOTTSWSA-N 1 2 212.684 1.465 20 30 BDEDLO C=CCN1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001204579432 967073081 /nfs/dbraw/zinc/07/30/81/967073081.db2.gz JSZPELLLCACDRW-UHFFFAOYSA-N 1 2 234.347 1.032 20 30 BDEDLO Cc1[nH+]c[nH]c1CN1C[C@@H](F)C[C@H]1C#N ZINC001204592933 967090868 /nfs/dbraw/zinc/09/08/68/967090868.db2.gz CMZAEELNAGQLOZ-IUCAKERBSA-N 1 2 208.240 1.154 20 30 BDEDLO N#CCCCc1cnn(CC[NH+]2CCOCC2)c1 ZINC001250061312 967325831 /nfs/dbraw/zinc/32/58/31/967325831.db2.gz YXUSMGUEEMCNDQ-UHFFFAOYSA-N 1 2 248.330 1.062 20 30 BDEDLO Cn1ccnc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001205138163 967368837 /nfs/dbraw/zinc/36/88/37/967368837.db2.gz ZRVFJMZKXCZBOB-NSHDSACASA-N 1 2 218.304 1.546 20 30 BDEDLO COC[C@@H](Nc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001161723910 967620561 /nfs/dbraw/zinc/62/05/61/967620561.db2.gz VJMHGDIMPCDZLH-GFCCVEGCSA-N 1 2 231.299 1.985 20 30 BDEDLO COc1cc2[nH+]ccn2cc1NCC#N ZINC001163187584 968002422 /nfs/dbraw/zinc/00/24/22/968002422.db2.gz NJLXDSLYLTZPAO-UHFFFAOYSA-N 1 2 202.217 1.278 20 30 BDEDLO C[C@@H](C(=O)NCC1(C#N)CCCC1)n1cc[nH+]c1 ZINC001118337228 968124430 /nfs/dbraw/zinc/12/44/30/968124430.db2.gz JMJQSXKMVKAJKZ-NSHDSACASA-N 1 2 246.314 1.644 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC001206233429 968157260 /nfs/dbraw/zinc/15/72/60/968157260.db2.gz YEYXUPPXEAEQMX-RHYQMDGZSA-N 1 2 221.300 1.330 20 30 BDEDLO C#CCOC[C@@H](O)CNc1ccc(C)[nH+]c1C ZINC001251819314 968350554 /nfs/dbraw/zinc/35/05/54/968350554.db2.gz MTUJSOSHEXMCLQ-LBPRGKRZSA-N 1 2 234.299 1.121 20 30 BDEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4C[C@H]3CO4)c12 ZINC001166757067 968384800 /nfs/dbraw/zinc/38/48/00/968384800.db2.gz ZYYSFXYKZSVJLM-UWVGGRQHSA-N 1 2 240.266 1.412 20 30 BDEDLO C#C[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001206837886 968493998 /nfs/dbraw/zinc/49/39/98/968493998.db2.gz IWNCLRJABSHFMI-SSDOTTSWSA-N 1 2 243.665 1.268 20 30 BDEDLO C#CCN(Cc1c[nH+]cn1CCC)C1CSC1 ZINC001207218672 968687878 /nfs/dbraw/zinc/68/78/78/968687878.db2.gz QTCUAJWYIIIICB-UHFFFAOYSA-N 1 2 249.383 1.844 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252549048 968786638 /nfs/dbraw/zinc/78/66/38/968786638.db2.gz ZTKOAGYVGMRGOL-ZJUUUORDSA-N 1 2 219.275 1.901 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252549048 968786644 /nfs/dbraw/zinc/78/66/44/968786644.db2.gz ZTKOAGYVGMRGOL-ZJUUUORDSA-N 1 2 219.275 1.901 20 30 BDEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252560721 968808003 /nfs/dbraw/zinc/80/80/03/968808003.db2.gz VSVIROXWRHTXGW-SECBINFHSA-N 1 2 233.258 1.033 20 30 BDEDLO C=C[C@](C)(O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252567584 968818250 /nfs/dbraw/zinc/81/82/50/968818250.db2.gz AWZLZPXQUAWUTM-NSHDSACASA-N 1 2 225.292 1.220 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001252579114 968833118 /nfs/dbraw/zinc/83/31/18/968833118.db2.gz UJNGDBWZFWDRJZ-JQWIXIFHSA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](CC=C)C(=O)OC ZINC001252617702 968878576 /nfs/dbraw/zinc/87/85/76/968878576.db2.gz IXFRNIKLXFKGBD-QWRGUYRKSA-N 1 2 227.304 1.021 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001252620739 968881229 /nfs/dbraw/zinc/88/12/29/968881229.db2.gz YYEIKNRZKSBDCV-WDEREUQCSA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001252620738 968879932 /nfs/dbraw/zinc/87/99/32/968879932.db2.gz YYEIKNRZKSBDCV-QWRGUYRKSA-N 1 2 229.320 1.245 20 30 BDEDLO COC[C@@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC001252810160 968999049 /nfs/dbraw/zinc/99/90/49/968999049.db2.gz KAHSOLBIUVKUDE-AWEZNQCLSA-N 1 2 248.326 1.410 20 30 BDEDLO COC[C@@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001252810160 968999053 /nfs/dbraw/zinc/99/90/53/968999053.db2.gz KAHSOLBIUVKUDE-AWEZNQCLSA-N 1 2 248.326 1.410 20 30 BDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@@H](O)C=C)[C@@H](C)CC ZINC001253599881 969293836 /nfs/dbraw/zinc/29/38/36/969293836.db2.gz AHDIBFFGNFCRET-SRVKXCTJSA-N 1 2 241.331 1.267 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979250 969297665 /nfs/dbraw/zinc/29/76/65/969297665.db2.gz XUCZYFDCRMDBQQ-GMTAPVOTSA-N 1 2 225.292 1.714 20 30 BDEDLO N#CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168978289 969299317 /nfs/dbraw/zinc/29/93/17/969299317.db2.gz QSQCYGSEWDCLDS-GHMZBOCLSA-N 1 2 237.303 1.858 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001253605564 969301634 /nfs/dbraw/zinc/30/16/34/969301634.db2.gz UHNWJWIEGIIJNI-RYUDHWBXSA-N 1 2 241.331 1.245 20 30 BDEDLO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209267111 969418244 /nfs/dbraw/zinc/41/82/44/969418244.db2.gz AHMCGLDHAKTPBV-UHFFFAOYSA-N 1 2 238.331 1.910 20 30 BDEDLO C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209267111 969418248 /nfs/dbraw/zinc/41/82/48/969418248.db2.gz AHMCGLDHAKTPBV-UHFFFAOYSA-N 1 2 238.331 1.910 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209419221 969481122 /nfs/dbraw/zinc/48/11/22/969481122.db2.gz VYNWGVJRWGGOEU-WCABBAIRSA-N 1 2 223.341 1.917 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209419221 969481126 /nfs/dbraw/zinc/48/11/26/969481126.db2.gz VYNWGVJRWGGOEU-WCABBAIRSA-N 1 2 223.341 1.917 20 30 BDEDLO C=Cc1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156328031 969704082 /nfs/dbraw/zinc/70/40/82/969704082.db2.gz YMTIWRBUOKEOGC-NSHDSACASA-N 1 2 214.272 1.026 20 30 BDEDLO C[N@H+](CCC#N)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601105 969743961 /nfs/dbraw/zinc/74/39/61/969743961.db2.gz ZLJOYOUZPIYJCJ-CYBMUJFWSA-N 1 2 245.282 1.907 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601105 969743967 /nfs/dbraw/zinc/74/39/67/969743967.db2.gz ZLJOYOUZPIYJCJ-CYBMUJFWSA-N 1 2 245.282 1.907 20 30 BDEDLO C#Cc1cc(Nc2cncc(C#N)c2)cc[nH+]1 ZINC001210082995 969788924 /nfs/dbraw/zinc/78/89/24/969788924.db2.gz IBTPBWDGIGTUNM-UHFFFAOYSA-N 1 2 220.235 1.495 20 30 BDEDLO C[C@@H](OCC[NH+]1CCOCC1)[C@H](C)S ZINC001210224692 969836206 /nfs/dbraw/zinc/83/62/06/969836206.db2.gz DMGOLVHMJQXAQU-ZJUUUORDSA-N 1 2 219.350 1.042 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001169779250 969851269 /nfs/dbraw/zinc/85/12/69/969851269.db2.gz AFSGCVKVYWNBSQ-LBPRGKRZSA-N 1 2 244.298 1.285 20 30 BDEDLO Cc1[nH+]cc(Nc2ncn(C)c2C#N)cc1N ZINC001210288259 969856376 /nfs/dbraw/zinc/85/63/76/969856376.db2.gz GNLHCIFVWDQCOF-UHFFFAOYSA-N 1 2 228.259 1.321 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169934184 969884853 /nfs/dbraw/zinc/88/48/53/969884853.db2.gz FGBZOBVULCFMEI-NEPJUHHUSA-N 1 2 236.315 1.660 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169934184 969884858 /nfs/dbraw/zinc/88/48/58/969884858.db2.gz FGBZOBVULCFMEI-NEPJUHHUSA-N 1 2 236.315 1.660 20 30 BDEDLO N#CCc1cc[nH+]c(NC2CC(=O)C2)c1 ZINC001156616623 969946679 /nfs/dbraw/zinc/94/66/79/969946679.db2.gz MPOFXTSLWVDZJE-UHFFFAOYSA-N 1 2 201.229 1.291 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)n1 ZINC001255160850 969968701 /nfs/dbraw/zinc/96/87/01/969968701.db2.gz QSBLFFLRTMGULR-JTQLQIEISA-N 1 2 249.314 1.881 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cncnc1C ZINC001255164999 969975860 /nfs/dbraw/zinc/97/58/60/969975860.db2.gz SAJWHLMLAHYSKO-LLVKDONJSA-N 1 2 204.277 1.567 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001255165011 969976822 /nfs/dbraw/zinc/97/68/22/969976822.db2.gz RPYNMYQNSJWLSK-UWVGGRQHSA-N 1 2 227.308 1.188 20 30 BDEDLO COCCn1c[nH+]c(NC2=CC(=O)C[C@@H](C)C2)c1 ZINC001210772191 970025331 /nfs/dbraw/zinc/02/53/31/970025331.db2.gz ZVSYNDFISOLWGH-JTQLQIEISA-N 1 2 249.314 1.824 20 30 BDEDLO CCN(c1nccc(F)c1C#N)C1C[NH+](C)C1 ZINC001157455853 970322623 /nfs/dbraw/zinc/32/26/23/970322623.db2.gz FUBXTOADHGJSOT-UHFFFAOYSA-N 1 2 234.278 1.233 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001113215253 970386604 /nfs/dbraw/zinc/38/66/04/970386604.db2.gz KNHOFSFLMQDKOT-AWNIVKPZSA-N 1 2 234.343 1.839 20 30 BDEDLO CC(C)[NH+]1CC(Nc2ncc(C#N)cc2F)C1 ZINC001157532135 970411606 /nfs/dbraw/zinc/41/16/06/970411606.db2.gz UFQZDOHHZDGOKN-UHFFFAOYSA-N 1 2 234.278 1.597 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CC(C)C)CC1 ZINC001113463556 970440810 /nfs/dbraw/zinc/44/08/10/970440810.db2.gz ACKHQBURTRFTPH-CYBMUJFWSA-N 1 2 238.375 1.999 20 30 BDEDLO N#Cc1cccc(C#N)c1N1CC(n2cc[nH+]c2)C1 ZINC001255902514 970559153 /nfs/dbraw/zinc/55/91/53/970559153.db2.gz TUFIFEDXSDDHDS-UHFFFAOYSA-N 1 2 249.277 1.688 20 30 BDEDLO C=CCCCNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001170296638 970672415 /nfs/dbraw/zinc/67/24/15/970672415.db2.gz RZXIGVOFRFFCGV-UHFFFAOYSA-N 1 2 233.271 1.791 20 30 BDEDLO C=CCC(C)(C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001144076974 972554739 /nfs/dbraw/zinc/55/47/39/972554739.db2.gz SVXWEINBQONRKY-UHFFFAOYSA-N 1 2 235.331 1.979 20 30 BDEDLO N#Cc1c(F)cccc1N1CCc2[nH+]c[nH]c2C1 ZINC001327918402 972810292 /nfs/dbraw/zinc/81/02/92/972810292.db2.gz VUBQBWZJKMIXCT-UHFFFAOYSA-N 1 2 242.257 1.983 20 30 BDEDLO CC(C)C1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001246590171 972999945 /nfs/dbraw/zinc/99/99/45/972999945.db2.gz BCXTWXIIICTVQF-RUXDESIVSA-N 1 2 235.375 1.999 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001276893321 973095622 /nfs/dbraw/zinc/09/56/22/973095622.db2.gz YLKVOOKZBCSOML-CYBMUJFWSA-N 1 2 248.370 1.781 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001276893321 973095629 /nfs/dbraw/zinc/09/56/29/973095629.db2.gz YLKVOOKZBCSOML-CYBMUJFWSA-N 1 2 248.370 1.781 20 30 BDEDLO C[C@H](CC(=O)N1CCC(C#N)CC1)n1cc[nH+]c1 ZINC001328670970 973249516 /nfs/dbraw/zinc/24/95/16/973249516.db2.gz MYUVRIJJKYRQAM-LLVKDONJSA-N 1 2 246.314 1.596 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001329173981 973539823 /nfs/dbraw/zinc/53/98/23/973539823.db2.gz ZFPVZCROQXMEKI-RYUDHWBXSA-N 1 2 231.299 1.316 20 30 BDEDLO Cc1cc(NNC=C2CC2(F)F)[nH+]c(N)n1 ZINC001329672069 973870621 /nfs/dbraw/zinc/87/06/21/973870621.db2.gz KIKPSJHDVAKOOI-LURJTMIESA-N 1 2 227.218 1.420 20 30 BDEDLO CCCC[N@H+](CC#N)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172027604 974288908 /nfs/dbraw/zinc/28/89/08/974288908.db2.gz XJRUXAILYCNHOZ-ZDUSSCGKSA-N 1 2 249.358 1.765 20 30 BDEDLO CCCC[N@@H+](CC#N)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172027604 974288920 /nfs/dbraw/zinc/28/89/20/974288920.db2.gz XJRUXAILYCNHOZ-ZDUSSCGKSA-N 1 2 249.358 1.765 20 30 BDEDLO CCCC[N@H+](CC#N)[C@@H]1CCN(CC)C(=O)C1 ZINC001172045674 974326554 /nfs/dbraw/zinc/32/65/54/974326554.db2.gz IMLXEMKHJZFALM-GFCCVEGCSA-N 1 2 237.347 1.623 20 30 BDEDLO 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C#Cc1cc(Nc2ccc(N)cc2F)cc[nH+]1 ZINC001174479057 976801418 /nfs/dbraw/zinc/80/14/18/976801418.db2.gz CSLNWFHSHZMGKF-UHFFFAOYSA-N 1 2 227.242 1.950 20 30 BDEDLO C#CC[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC001335587066 977164629 /nfs/dbraw/zinc/16/46/29/977164629.db2.gz BENCQDJTTODUQV-UHFFFAOYSA-N 1 2 234.259 1.094 20 30 BDEDLO C#CC[N@@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC001335587066 977164638 /nfs/dbraw/zinc/16/46/38/977164638.db2.gz BENCQDJTTODUQV-UHFFFAOYSA-N 1 2 234.259 1.094 20 30 BDEDLO CN(C)c1ccc(Nc2cnn(C)c2C#N)c[nH+]1 ZINC001175341383 977361221 /nfs/dbraw/zinc/36/12/21/977361221.db2.gz JJMSDAVBJQRCDT-UHFFFAOYSA-N 1 2 242.286 1.496 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231669513 977684412 /nfs/dbraw/zinc/68/44/12/977684412.db2.gz YMXPGQLZCGXOBM-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231669513 977684422 /nfs/dbraw/zinc/68/44/22/977684422.db2.gz YMXPGQLZCGXOBM-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO 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BDEDLO CC(=O)/C=C(/C)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177413316 978351008 /nfs/dbraw/zinc/35/10/08/978351008.db2.gz ATXUPFOUDOXALF-NTMALXAHSA-N 1 2 247.298 1.127 20 30 BDEDLO C[C@@H]1COCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046620 978429927 /nfs/dbraw/zinc/42/99/27/978429927.db2.gz ZYYCBINVWASTCA-JTQLQIEISA-N 1 2 219.288 1.355 20 30 BDEDLO C[C@@H]1COCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046620 978429932 /nfs/dbraw/zinc/42/99/32/978429932.db2.gz ZYYCBINVWASTCA-JTQLQIEISA-N 1 2 219.288 1.355 20 30 BDEDLO C[N@H+](Cc1[nH]ccc1C#N)[C@@H]1CCCOC1 ZINC001233049460 978441397 /nfs/dbraw/zinc/44/13/97/978441397.db2.gz PNHGRGNNYOPMKS-LLVKDONJSA-N 1 2 219.288 1.497 20 30 BDEDLO C[N@@H+](Cc1[nH]ccc1C#N)[C@@H]1CCCOC1 ZINC001233049460 978441408 /nfs/dbraw/zinc/44/14/08/978441408.db2.gz PNHGRGNNYOPMKS-LLVKDONJSA-N 1 2 219.288 1.497 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001337650500 978442250 /nfs/dbraw/zinc/44/22/50/978442250.db2.gz ROKXUFRYQNYAIP-JTQLQIEISA-N 1 2 223.276 1.155 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001337650500 978442261 /nfs/dbraw/zinc/44/22/61/978442261.db2.gz ROKXUFRYQNYAIP-JTQLQIEISA-N 1 2 223.276 1.155 20 30 BDEDLO C[C@]1(C#N)CN(c2cc[nH+]cc2)CCO1 ZINC001337680718 978456280 /nfs/dbraw/zinc/45/62/80/978456280.db2.gz XNYYDHNJZMCDQX-NSHDSACASA-N 1 2 203.245 1.200 20 30 BDEDLO CC(C)C[C@@](C)(C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000585 978488373 /nfs/dbraw/zinc/48/83/73/978488373.db2.gz VEYVEAJPIOLKDV-ZDUSSCGKSA-N 1 2 248.330 1.787 20 30 BDEDLO N#Cc1ccc(C[NH+]2CCC(=O)CC2)c(O)c1 ZINC001233383431 978591251 /nfs/dbraw/zinc/59/12/51/978591251.db2.gz HSJNTOOQSXOYQA-UHFFFAOYSA-N 1 2 230.267 1.429 20 30 BDEDLO C[C@H](C#N)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922660 978645207 /nfs/dbraw/zinc/64/52/07/978645207.db2.gz RWDSOAQYLVVNLD-MRVPVSSYSA-N 1 2 232.287 1.064 20 30 BDEDLO N#CC1(C[NH2+]Cc2cncs2)CCC1 ZINC001179776191 978750517 /nfs/dbraw/zinc/75/05/17/978750517.db2.gz KXTBPQQLZSSGGQ-UHFFFAOYSA-N 1 2 207.302 1.927 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC001179888622 978773384 /nfs/dbraw/zinc/77/33/84/978773384.db2.gz JWYUFZHBALATPI-MRVPVSSYSA-N 1 2 214.228 1.432 20 30 BDEDLO C[C@H](C#N)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001179901260 978783325 /nfs/dbraw/zinc/78/33/25/978783325.db2.gz KVPGZSVGMGUZSV-SECBINFHSA-N 1 2 232.287 1.384 20 30 BDEDLO C=CCC[C@@H](CCC)[NH2+][C@H](COC)C(=O)OC ZINC001180954499 978970054 /nfs/dbraw/zinc/97/00/54/978970054.db2.gz XMYYJVRNMGUYET-VXGBXAGGSA-N 1 2 243.347 1.899 20 30 BDEDLO C=CCC[C@H](CCC)[NH2+][C@H](COC)C(=O)OC ZINC001180954497 978970768 /nfs/dbraw/zinc/97/07/68/978970768.db2.gz XMYYJVRNMGUYET-NWDGAFQWSA-N 1 2 243.347 1.899 20 30 BDEDLO CC[C@H](CC#N)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181280404 979031620 /nfs/dbraw/zinc/03/16/20/979031620.db2.gz ZGEMYEVGSXCCPZ-SNVBAGLBSA-N 1 2 232.287 1.015 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2cc(F)ccc2[nH]1 ZINC001235698537 979125342 /nfs/dbraw/zinc/12/53/42/979125342.db2.gz VZQGHNWKBHKITP-UHFFFAOYSA-N 1 2 217.247 1.767 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2cc(F)ccc2[nH]1 ZINC001235698537 979125338 /nfs/dbraw/zinc/12/53/38/979125338.db2.gz VZQGHNWKBHKITP-UHFFFAOYSA-N 1 2 217.247 1.767 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](CC2OC=CC2=S)C1 ZINC001237189346 979842148 /nfs/dbraw/zinc/84/21/48/979842148.db2.gz CHHSWNHWCMPZKF-QMMMGPOBSA-N 1 2 208.286 1.914 20 30 BDEDLO N#C[C@@H]1CC[N@H+](CC2OC=CC2=S)C1 ZINC001237189346 979842154 /nfs/dbraw/zinc/84/21/54/979842154.db2.gz CHHSWNHWCMPZKF-QMMMGPOBSA-N 1 2 208.286 1.914 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(O)cc(F)c2)CC1 ZINC001237281777 979861452 /nfs/dbraw/zinc/86/14/52/979861452.db2.gz SMXOCISCAZPURC-UHFFFAOYSA-N 1 2 248.301 1.282 20 30 BDEDLO N#CCCCCNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935546 979901894 /nfs/dbraw/zinc/90/18/94/979901894.db2.gz KELNVENQPJBSBI-UHFFFAOYSA-N 1 2 246.314 1.406 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CC2(C)CCC2)CC1 ZINC001185101083 980171668 /nfs/dbraw/zinc/17/16/68/980171668.db2.gz MFYMTCZPUZUIOT-UHFFFAOYSA-N 1 2 236.359 1.897 20 30 BDEDLO COc1cc(C[N@H+](C)CC(C)=O)ccc1C#N ZINC001238409888 980246211 /nfs/dbraw/zinc/24/62/11/980246211.db2.gz KMKRVHRETMQDSL-UHFFFAOYSA-N 1 2 232.283 1.588 20 30 BDEDLO COc1cc(C[N@@H+](C)CC(C)=O)ccc1C#N ZINC001238409888 980246217 /nfs/dbraw/zinc/24/62/17/980246217.db2.gz KMKRVHRETMQDSL-UHFFFAOYSA-N 1 2 232.283 1.588 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cnccn1 ZINC001331486356 980290444 /nfs/dbraw/zinc/29/04/44/980290444.db2.gz SFKDRJLYHVIDOP-JTQLQIEISA-N 1 2 239.282 1.594 20 30 BDEDLO Cn1c[nH+]cc1CCCOC(=O)CCCC#N ZINC001345059301 980535410 /nfs/dbraw/zinc/53/54/10/980535410.db2.gz GSUJJOZGFJQLGR-UHFFFAOYSA-N 1 2 235.287 1.590 20 30 BDEDLO C=CCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001345801433 980689968 /nfs/dbraw/zinc/68/99/68/980689968.db2.gz HYJVXQHAYVSMGR-UHFFFAOYSA-N 1 2 234.303 1.499 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)CCc1[nH+]ccn1C ZINC001346282613 980805420 /nfs/dbraw/zinc/80/54/20/980805420.db2.gz DAEFIQIOFUWCHL-NSHDSACASA-N 1 2 248.330 1.361 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ncon1 ZINC001346311348 980809269 /nfs/dbraw/zinc/80/92/69/980809269.db2.gz GBWZJWOHMDROJZ-BDAKNGLRSA-N 1 2 238.291 1.021 20 30 BDEDLO C=C(CC(C)C)C(=O)NCCc1[nH]cc[nH+]1 ZINC001346482596 980849303 /nfs/dbraw/zinc/84/93/03/980849303.db2.gz CSYMDKNIERIGSR-UHFFFAOYSA-N 1 2 221.304 1.671 20 30 BDEDLO C=C(CC(C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001347174061 981003009 /nfs/dbraw/zinc/00/30/09/981003009.db2.gz VDPWKKIEGOTDJT-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)CCc1[nH+]ccn1C ZINC001347591095 981122253 /nfs/dbraw/zinc/12/22/53/981122253.db2.gz AMLCIXDNDCOUGG-JTQLQIEISA-N 1 2 234.303 1.113 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C#N)CC1 ZINC001348457490 981366873 /nfs/dbraw/zinc/36/68/73/981366873.db2.gz FGFGTMYYEUTONM-SNVBAGLBSA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C#N)CC1 ZINC001348457490 981366876 /nfs/dbraw/zinc/36/68/76/981366876.db2.gz FGFGTMYYEUTONM-SNVBAGLBSA-N 1 2 246.314 1.350 20 30 BDEDLO Cc1cnc(C#N)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240504581 981431301 /nfs/dbraw/zinc/43/13/01/981431301.db2.gz RLORCTNOMNWFKH-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO N#CCc1ccnc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001588042477 982109442 /nfs/dbraw/zinc/10/94/42/982109442.db2.gz IITODRWZEREEPE-UHFFFAOYSA-N 1 2 241.254 1.052 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785121 982595910 /nfs/dbraw/zinc/59/59/10/982595910.db2.gz AWAWUCIQOLOZSQ-AAEUAGOBSA-N 1 2 249.358 1.731 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785121 982595918 /nfs/dbraw/zinc/59/59/18/982595918.db2.gz AWAWUCIQOLOZSQ-AAEUAGOBSA-N 1 2 249.358 1.731 20 30 BDEDLO C=CCNC(=S)Nc1ccn2cc[nH+]c2c1 ZINC001200281731 982799900 /nfs/dbraw/zinc/79/99/00/982799900.db2.gz BFFNFMIUTDUPMZ-UHFFFAOYSA-N 1 2 232.312 1.807 20 30 BDEDLO C#C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001353310945 982831392 /nfs/dbraw/zinc/83/13/92/982831392.db2.gz MYZBCRTYJQOZKL-LLVKDONJSA-N 1 2 204.229 1.227 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC001590419694 982943053 /nfs/dbraw/zinc/94/30/53/982943053.db2.gz PIBCAODZLYTLHB-MRVPVSSYSA-N 1 2 246.274 1.242 20 30 BDEDLO CC(=[NH+]N[C@H](C)CC#N)c1csc(N)n1 ZINC000379807385 983029117 /nfs/dbraw/zinc/02/91/17/983029117.db2.gz OJHYYIAKFLOWGQ-ZCFIWIBFSA-N 1 2 223.305 1.171 20 30 BDEDLO Cc1nc(C#N)ccc1Nc1ccc(N)[nH+]c1 ZINC001201279505 983157204 /nfs/dbraw/zinc/15/72/04/983157204.db2.gz WOCMTXLBGXIDBX-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO N#Cc1cccc(O)c1Nc1ccc(N)[nH+]c1 ZINC001201292054 983170229 /nfs/dbraw/zinc/17/02/29/983170229.db2.gz IHPPBRZAZQMPDH-UHFFFAOYSA-N 1 2 226.239 1.985 20 30 BDEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)ccc1O ZINC001201293096 983172073 /nfs/dbraw/zinc/17/20/73/983172073.db2.gz XWVZGLWEJQYDFL-UHFFFAOYSA-N 1 2 226.239 1.985 20 30 BDEDLO C#Cc1cc(NC2=CCSCC2)cc[nH+]1 ZINC001201325970 983184758 /nfs/dbraw/zinc/18/47/58/983184758.db2.gz APWQMCUIKGIBRI-UHFFFAOYSA-N 1 2 216.309 1.918 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1ncc(C#N)cc1C#N ZINC001242070885 983304955 /nfs/dbraw/zinc/30/49/55/983304955.db2.gz OECXLXKAULYIGZ-UHFFFAOYSA-N 1 2 235.250 1.778 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1nccc(C#N)n1 ZINC001242071014 983306430 /nfs/dbraw/zinc/30/64/30/983306430.db2.gz QYGYRGYKLNZGSU-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(CC)no1 ZINC000691816458 983797923 /nfs/dbraw/zinc/79/79/23/983797923.db2.gz JSAMSRACHMKTQE-LLVKDONJSA-N 1 2 207.277 1.524 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@H](O)CCC)C(=O)OC ZINC001252808916 983905024 /nfs/dbraw/zinc/90/50/24/983905024.db2.gz WXKDFCBIIZSLAD-ZYHUDNBSSA-N 1 2 229.320 1.245 20 30 BDEDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274032586 984241741 /nfs/dbraw/zinc/24/17/41/984241741.db2.gz SPZXDJHREVFCLV-CHWSQXEVSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274032586 984241765 /nfs/dbraw/zinc/24/17/65/984241765.db2.gz SPZXDJHREVFCLV-CHWSQXEVSA-N 1 2 249.358 1.621 20 30 BDEDLO COC[C@@H](C[N@@H+]1CC[C@@](F)(C#N)C1)C(C)C ZINC000930253550 984950820 /nfs/dbraw/zinc/95/08/20/984950820.db2.gz VTLRTYMMESWLQP-VXGBXAGGSA-N 1 2 228.311 1.843 20 30 BDEDLO COC[C@@H](C[N@H+]1CC[C@@](F)(C#N)C1)C(C)C ZINC000930253550 984950837 /nfs/dbraw/zinc/95/08/37/984950837.db2.gz VTLRTYMMESWLQP-VXGBXAGGSA-N 1 2 228.311 1.843 20 30 BDEDLO N#CCc1cncc(-c2ccc[nH+]c2N)c1 ZINC001243476136 985027458 /nfs/dbraw/zinc/02/74/58/985027458.db2.gz OYGABBORDVRXDY-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO N#Cc1cc(-c2ccc[nH+]c2N)cnc1F ZINC001243475201 985031272 /nfs/dbraw/zinc/03/12/72/985031272.db2.gz FRTBDPXYOXOKKL-UHFFFAOYSA-N 1 2 214.203 1.737 20 30 BDEDLO Cc1c[nH+]c(Nc2ccnc(C#N)c2)c(N)c1 ZINC001206594098 985577223 /nfs/dbraw/zinc/57/72/23/985577223.db2.gz JBMABRJLNIZGRC-UHFFFAOYSA-N 1 2 225.255 1.404 20 30 BDEDLO Cc1nc(C#N)cnc1C1=C[NH2+]CCC1 ZINC001243948610 985626938 /nfs/dbraw/zinc/62/69/38/985626938.db2.gz BBIUPLJILYLRCD-UHFFFAOYSA-N 1 2 200.245 1.381 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCSC)C(=O)OC ZINC001258209474 985637351 /nfs/dbraw/zinc/63/73/51/985637351.db2.gz WGIPWBPFURKUDV-UWVGGRQHSA-N 1 2 229.345 1.283 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001253579056 986134333 /nfs/dbraw/zinc/13/43/33/986134333.db2.gz MIWMDJUDJLESAJ-LLVKDONJSA-N 1 2 247.294 1.336 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001253579056 986134396 /nfs/dbraw/zinc/13/43/96/986134396.db2.gz MIWMDJUDJLESAJ-LLVKDONJSA-N 1 2 247.294 1.336 20 30 BDEDLO C=C[C@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001253600433 986232472 /nfs/dbraw/zinc/23/24/72/986232472.db2.gz APIFYTSEYQKNAI-JTQLQIEISA-N 1 2 237.274 1.188 20 30 BDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038002381 986242545 /nfs/dbraw/zinc/24/25/45/986242545.db2.gz KEGLTKKCEKKNMN-JTQLQIEISA-N 1 2 249.339 1.330 20 30 BDEDLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038002381 986242557 /nfs/dbraw/zinc/24/25/57/986242557.db2.gz KEGLTKKCEKKNMN-JTQLQIEISA-N 1 2 249.339 1.330 20 30 BDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001038005518 986244311 /nfs/dbraw/zinc/24/43/11/986244311.db2.gz ZLAVGSLGLZPSPL-AWEZNQCLSA-N 1 2 243.310 1.269 20 30 BDEDLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001038005518 986244323 /nfs/dbraw/zinc/24/43/23/986244323.db2.gz ZLAVGSLGLZPSPL-AWEZNQCLSA-N 1 2 243.310 1.269 20 30 BDEDLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038002383 986245319 /nfs/dbraw/zinc/24/53/19/986245319.db2.gz KEGLTKKCEKKNMN-SNVBAGLBSA-N 1 2 249.339 1.330 20 30 BDEDLO CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038002383 986245332 /nfs/dbraw/zinc/24/53/32/986245332.db2.gz KEGLTKKCEKKNMN-SNVBAGLBSA-N 1 2 249.339 1.330 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccoc2)C1 ZINC001042647965 986329919 /nfs/dbraw/zinc/32/99/19/986329919.db2.gz CRDBTPITXHJJQH-UHFFFAOYSA-N 1 2 234.299 1.151 20 30 BDEDLO C=CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001465174068 986695744 /nfs/dbraw/zinc/69/57/44/986695744.db2.gz XAFRHTUHDGJFQN-QMMMGPOBSA-N 1 2 207.277 1.341 20 30 BDEDLO C#CCN(CC#C)Cc1[nH+]c2ccccn2c1C ZINC001137275955 986709016 /nfs/dbraw/zinc/70/90/16/986709016.db2.gz QWYXVCMMLDUSNF-UHFFFAOYSA-N 1 2 237.306 1.711 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCCC2(C1)OCCO2 ZINC001255176001 986871214 /nfs/dbraw/zinc/87/12/14/986871214.db2.gz UJPZEEBIRCQFQR-LLVKDONJSA-N 1 2 224.304 1.518 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCCC2(C1)OCCO2 ZINC001255176001 986871219 /nfs/dbraw/zinc/87/12/19/986871219.db2.gz UJPZEEBIRCQFQR-LLVKDONJSA-N 1 2 224.304 1.518 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001255178365 986872535 /nfs/dbraw/zinc/87/25/35/986872535.db2.gz FOTPYYVCNDMXOD-VXGBXAGGSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCOC[C@@H]1C1CC1 ZINC001255178365 986872541 /nfs/dbraw/zinc/87/25/41/986872541.db2.gz FOTPYYVCNDMXOD-VXGBXAGGSA-N 1 2 208.305 1.789 20 30 BDEDLO Cc1ccc(C[C@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001255787160 987072128 /nfs/dbraw/zinc/07/21/28/987072128.db2.gz GYAUFTXOJOLDCH-ZFWWWQNUSA-N 1 2 243.354 1.723 20 30 BDEDLO C=CCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101541305 987188412 /nfs/dbraw/zinc/18/84/12/987188412.db2.gz YJQRKANZXLRHQD-UHFFFAOYSA-N 1 2 248.330 1.622 20 30 BDEDLO N=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC001246218136 987618207 /nfs/dbraw/zinc/61/82/07/987618207.db2.gz MGYBUURPVLMILG-JVHMLUBASA-N 1 2 236.344 1.131 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001116541976 987621087 /nfs/dbraw/zinc/62/10/87/987621087.db2.gz OEXHFVGQTQWYLL-JTQLQIEISA-N 1 2 237.303 1.409 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2nnc(CC)o2)C1 ZINC001116541976 987621092 /nfs/dbraw/zinc/62/10/92/987621092.db2.gz OEXHFVGQTQWYLL-JTQLQIEISA-N 1 2 237.303 1.409 20 30 BDEDLO C=CCOC[C@H]([NH2+]CC(CC)CC)C(=O)OC ZINC001474477700 987734362 /nfs/dbraw/zinc/73/43/62/987734362.db2.gz ONOXGEGKALYYCQ-LBPRGKRZSA-N 1 2 243.347 1.756 20 30 BDEDLO C[C@@H](C(=O)N(C)CC(C)(C)C#N)n1cc[nH+]c1 ZINC001117768175 987897677 /nfs/dbraw/zinc/89/76/77/987897677.db2.gz PJZROQRMJVKVQB-JTQLQIEISA-N 1 2 234.303 1.452 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC001118224298 988128736 /nfs/dbraw/zinc/12/87/36/988128736.db2.gz CPOASJAMAVWTPL-UHFFFAOYSA-N 1 2 247.342 1.301 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC001118224298 988128749 /nfs/dbraw/zinc/12/87/49/988128749.db2.gz CPOASJAMAVWTPL-UHFFFAOYSA-N 1 2 247.342 1.301 20 30 BDEDLO C=C[C@@H](COC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001118240735 988143994 /nfs/dbraw/zinc/14/39/94/988143994.db2.gz SWZIGYJKAPGGSW-QWRGUYRKSA-N 1 2 237.303 1.151 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(CC)CC ZINC001494679336 988171438 /nfs/dbraw/zinc/17/14/38/988171438.db2.gz IAKQEPQKJJSPSV-KBPBESRZSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(CC)CC ZINC001494679336 988171458 /nfs/dbraw/zinc/17/14/58/988171458.db2.gz IAKQEPQKJJSPSV-KBPBESRZSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001323093372 988450660 /nfs/dbraw/zinc/45/06/60/988450660.db2.gz HOGYCMURVZTUEV-VIFPVBQESA-N 1 2 223.276 1.021 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC001323093372 988450668 /nfs/dbraw/zinc/45/06/68/988450668.db2.gz HOGYCMURVZTUEV-VIFPVBQESA-N 1 2 223.276 1.021 20 30 BDEDLO CN1C[C@@H](C[N@@H+]2CCC[C@@](C)(C#N)C2)OC1=O ZINC001324266284 988766502 /nfs/dbraw/zinc/76/65/02/988766502.db2.gz JWEZAUSIIUQETQ-JQWIXIFHSA-N 1 2 237.303 1.063 20 30 BDEDLO CN1C[C@@H](C[N@H+]2CCC[C@@](C)(C#N)C2)OC1=O ZINC001324266284 988766511 /nfs/dbraw/zinc/76/65/11/988766511.db2.gz JWEZAUSIIUQETQ-JQWIXIFHSA-N 1 2 237.303 1.063 20 30 BDEDLO C=CCCNC(=S)Nc1cc[nH+]cc1C ZINC001247586592 988934827 /nfs/dbraw/zinc/93/48/27/988934827.db2.gz ZXTWNKCYHJKTKD-UHFFFAOYSA-N 1 2 221.329 1.674 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)CC1 ZINC001119376383 989017948 /nfs/dbraw/zinc/01/79/48/989017948.db2.gz QJSUSTNAUZKMPW-GFCCVEGCSA-N 1 2 242.326 1.960 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H](c3ncccn3)C2)CC1 ZINC001119376383 989017957 /nfs/dbraw/zinc/01/79/57/989017957.db2.gz QJSUSTNAUZKMPW-GFCCVEGCSA-N 1 2 242.326 1.960 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ocnc1C)[C@@H]1CCCO1 ZINC001119445909 989083752 /nfs/dbraw/zinc/08/37/52/989083752.db2.gz RLPKGFQYHQBDEE-MNOVXSKESA-N 1 2 220.272 1.253 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nnc(C)o2)C1 ZINC001325223341 989126966 /nfs/dbraw/zinc/12/69/66/989126966.db2.gz NSXOQJFGZMIOEH-SNVBAGLBSA-N 1 2 223.276 1.155 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nnc(C)o2)C1 ZINC001325223341 989126969 /nfs/dbraw/zinc/12/69/69/989126969.db2.gz NSXOQJFGZMIOEH-SNVBAGLBSA-N 1 2 223.276 1.155 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248823730 989182491 /nfs/dbraw/zinc/18/24/91/989182491.db2.gz JQQVUBWUBPZUKB-LLVKDONJSA-N 1 2 215.300 1.780 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001248823730 989182500 /nfs/dbraw/zinc/18/25/00/989182500.db2.gz JQQVUBWUBPZUKB-LLVKDONJSA-N 1 2 215.300 1.780 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC001119606166 989226719 /nfs/dbraw/zinc/22/67/19/989226719.db2.gz KXFLSXWYCXVQDP-WDEREUQCSA-N 1 2 238.335 1.540 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001326324576 989495106 /nfs/dbraw/zinc/49/51/06/989495106.db2.gz DIBSDJFONDAFEV-SECBINFHSA-N 1 2 235.287 1.040 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001326324576 989495121 /nfs/dbraw/zinc/49/51/21/989495121.db2.gz DIBSDJFONDAFEV-SECBINFHSA-N 1 2 235.287 1.040 20 30 BDEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001120008505 989562591 /nfs/dbraw/zinc/56/25/91/989562591.db2.gz TVYZZUNEEUVHSU-NWDGAFQWSA-N 1 2 235.331 1.990 20 30 BDEDLO N#CCCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001326814224 989732668 /nfs/dbraw/zinc/73/26/68/989732668.db2.gz ZGZFKJIJWBSDPM-LLVKDONJSA-N 1 2 246.314 1.398 20 30 BDEDLO C=C(CC)C(=O)NCCCNc1cccc[nH+]1 ZINC001123575721 990617156 /nfs/dbraw/zinc/61/71/56/990617156.db2.gz ZKVPUYCTHWCHPB-UHFFFAOYSA-N 1 2 233.315 1.966 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001542735204 990670386 /nfs/dbraw/zinc/67/03/86/990670386.db2.gz SPLJIWRMEOPVIB-GXFFZTMASA-N 1 2 246.314 1.254 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001542735206 990671601 /nfs/dbraw/zinc/67/16/01/990671601.db2.gz SPLJIWRMEOPVIB-ZWNOBZJWSA-N 1 2 246.314 1.254 20 30 BDEDLO C=C[C@H](O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001543046920 990680812 /nfs/dbraw/zinc/68/08/12/990680812.db2.gz PEQDPWGVLUAPHO-LBPRGKRZSA-N 1 2 243.266 1.358 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001543487479 990695308 /nfs/dbraw/zinc/69/53/08/990695308.db2.gz UIZSTOSZRLBEDJ-JTQLQIEISA-N 1 2 242.282 1.566 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001543487480 990695942 /nfs/dbraw/zinc/69/59/42/990695942.db2.gz UIZSTOSZRLBEDJ-SNVBAGLBSA-N 1 2 242.282 1.566 20 30 BDEDLO C=C(CC)C(=O)NCCc1[nH+]ccn1C ZINC001123930029 990705323 /nfs/dbraw/zinc/70/53/23/990705323.db2.gz KBDBFICUNPAKGQ-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO C=CCC(F)(F)C(=O)NCCc1[nH+]ccn1C ZINC001124010866 990733463 /nfs/dbraw/zinc/73/34/63/990733463.db2.gz MRJMMQJXEBUGKN-UHFFFAOYSA-N 1 2 243.257 1.290 20 30 BDEDLO COc1ccc(C[NH+]2CCC2)c(C#N)c1 ZINC001137698254 990841430 /nfs/dbraw/zinc/84/14/30/990841430.db2.gz PVQMUHWIRQHZDV-UHFFFAOYSA-N 1 2 202.257 1.773 20 30 BDEDLO COCC1C[NH+](Cc2ccc(OC)cc2C#N)C1 ZINC001137698183 990842712 /nfs/dbraw/zinc/84/27/12/990842712.db2.gz MZFVXRPGJYOUTK-UHFFFAOYSA-N 1 2 246.310 1.645 20 30 BDEDLO Cn1c[nH+]c(CCNC(=O)C#CC(C)(C)C)c1 ZINC001556945468 990865339 /nfs/dbraw/zinc/86/53/39/990865339.db2.gz GEQAZDTYNWJAHI-UHFFFAOYSA-N 1 2 233.315 1.128 20 30 BDEDLO C=CC[N@@H+](C)Cc1cnc(OC)nc1OC ZINC001139232804 991210615 /nfs/dbraw/zinc/21/06/15/991210615.db2.gz FHVXLVOGLBKMQU-UHFFFAOYSA-N 1 2 223.276 1.112 20 30 BDEDLO C=CC[N@H+](C)Cc1cnc(OC)nc1OC ZINC001139232804 991210631 /nfs/dbraw/zinc/21/06/31/991210631.db2.gz FHVXLVOGLBKMQU-UHFFFAOYSA-N 1 2 223.276 1.112 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(N)c(OC)ccc1OC ZINC001139280362 991219313 /nfs/dbraw/zinc/21/93/13/991219313.db2.gz OGKHPVGYATXSDK-UHFFFAOYSA-N 1 2 234.299 1.351 20 30 BDEDLO C#CC[N@H+](C)Cc1c(N)c(OC)ccc1OC ZINC001139280362 991219323 /nfs/dbraw/zinc/21/93/23/991219323.db2.gz OGKHPVGYATXSDK-UHFFFAOYSA-N 1 2 234.299 1.351 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)CCC(=O)OC)C(=O)OC ZINC001258352523 991285095 /nfs/dbraw/zinc/28/50/95/991285095.db2.gz GKIBABXWIWJRMV-UWVGGRQHSA-N 1 2 243.303 1.035 20 30 BDEDLO COCCN(CC#N)Cc1cccc(N(C)C)[nH+]1 ZINC001559889177 991307956 /nfs/dbraw/zinc/30/79/56/991307956.db2.gz XFRAATYLSGABQK-UHFFFAOYSA-N 1 2 248.330 1.120 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCCC23COC3)cn1 ZINC001139770453 991364993 /nfs/dbraw/zinc/36/49/93/991364993.db2.gz NTAQTYKQBNBESA-UHFFFAOYSA-N 1 2 233.315 1.434 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCCC23COC3)cn1 ZINC001139770453 991364997 /nfs/dbraw/zinc/36/49/97/991364997.db2.gz NTAQTYKQBNBESA-UHFFFAOYSA-N 1 2 233.315 1.434 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC001139772840 991366155 /nfs/dbraw/zinc/36/61/55/991366155.db2.gz QQCVDDKQAZHRKH-UHFFFAOYSA-N 1 2 243.314 1.281 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCn3cncc3C2)cn1 ZINC001139772840 991366169 /nfs/dbraw/zinc/36/61/69/991366169.db2.gz QQCVDDKQAZHRKH-UHFFFAOYSA-N 1 2 243.314 1.281 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CC1CC1 ZINC001258447535 991389729 /nfs/dbraw/zinc/38/97/29/991389729.db2.gz RVDIMGOOUDLFBY-WPRPVWTQSA-N 1 2 231.361 1.626 20 30 BDEDLO C#CC1(O)C[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001560204157 991417992 /nfs/dbraw/zinc/41/79/92/991417992.db2.gz ZPLQQPNWOQEYBT-UHFFFAOYSA-N 1 2 229.323 1.792 20 30 BDEDLO CC1(C)CC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001258600540 991502456 /nfs/dbraw/zinc/50/24/56/991502456.db2.gz LSEPAKIDGWKNSW-WDEREUQCSA-N 1 2 207.321 1.362 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC ZINC001318196744 991634649 /nfs/dbraw/zinc/63/46/49/991634649.db2.gz YRUOMXQHEJRKMP-AGIUHOORSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC ZINC001318196744 991634654 /nfs/dbraw/zinc/63/46/54/991634654.db2.gz YRUOMXQHEJRKMP-AGIUHOORSA-N 1 2 234.343 1.341 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)CCCC1=O ZINC001140539963 991666214 /nfs/dbraw/zinc/66/62/14/991666214.db2.gz FNEDLPDDDBIGKO-LLVKDONJSA-N 1 2 243.310 1.754 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)CCCC1=O ZINC001140539963 991666217 /nfs/dbraw/zinc/66/62/17/991666217.db2.gz FNEDLPDDDBIGKO-LLVKDONJSA-N 1 2 243.310 1.754 20 30 BDEDLO C=CCC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001258726348 991667291 /nfs/dbraw/zinc/66/72/91/991667291.db2.gz RKSXSSMZGYTGEN-VWYCJHECSA-N 1 2 229.295 1.927 20 30 BDEDLO C=CCC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001258726348 991667296 /nfs/dbraw/zinc/66/72/96/991667296.db2.gz RKSXSSMZGYTGEN-VWYCJHECSA-N 1 2 229.295 1.927 20 30 BDEDLO N#CCc1cccc(NCc2ccc[nH+]c2N)n1 ZINC001560983892 991677397 /nfs/dbraw/zinc/67/73/97/991677397.db2.gz LAWBXHUQZGYYCA-UHFFFAOYSA-N 1 2 239.282 1.737 20 30 BDEDLO Cn1c[nH+]cc1C[S@](=O)CCCCC#N ZINC001319606544 991909433 /nfs/dbraw/zinc/90/94/33/991909433.db2.gz SZXWMNQSTGNVCQ-OAHLLOKOSA-N 1 2 225.317 1.363 20 30 BDEDLO CC(C)C(C#N)=CNNc1cc[nH+]cc1 ZINC001320771155 992348430 /nfs/dbraw/zinc/34/84/30/992348430.db2.gz RZNDXWMPUQIZEO-SNVBAGLBSA-N 1 2 202.261 1.697 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C=C(C)C)C1 ZINC001569481992 992393999 /nfs/dbraw/zinc/39/39/99/992393999.db2.gz NMBRXSZJFQDPFP-UHFFFAOYSA-N 1 2 208.305 1.281 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC001321094168 992454499 /nfs/dbraw/zinc/45/44/99/992454499.db2.gz HOWQKZCPRLUYTE-ZDUSSCGKSA-N 1 2 242.322 1.677 20 30 BDEDLO C#C[C@@H]1CCCCN1c1cc(N)[nH+]cn1 ZINC001262708740 993051173 /nfs/dbraw/zinc/05/11/73/993051173.db2.gz MMMHBTISFDXODM-SECBINFHSA-N 1 2 202.261 1.051 20 30 BDEDLO C#CCOCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001262735560 993055465 /nfs/dbraw/zinc/05/54/65/993055465.db2.gz HGHFJJJKCPPLNG-UHFFFAOYSA-N 1 2 245.326 1.748 20 30 BDEDLO N#CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001297147710 994851954 /nfs/dbraw/zinc/85/19/54/994851954.db2.gz ILARNIWOXCOUMS-UHFFFAOYSA-N 1 2 214.228 1.206 20 30 BDEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(=O)[nH]n1 ZINC001339191119 995257761 /nfs/dbraw/zinc/25/77/61/995257761.db2.gz AHPJUYRQEHQMCO-MRVPVSSYSA-N 1 2 220.276 1.383 20 30 BDEDLO N#Cc1cnc(NCc2ccc(N)[nH+]c2)c(F)c1 ZINC001307096948 995285528 /nfs/dbraw/zinc/28/55/28/995285528.db2.gz MEICVSSQWRFSFM-UHFFFAOYSA-N 1 2 243.245 1.682 20 30 BDEDLO C=CC[N@H+]1CCN(CCC)C(=O)C1(C)C ZINC000187851454 136208227 /nfs/dbraw/zinc/20/82/27/136208227.db2.gz YRJMZBFYJVYZQG-UHFFFAOYSA-N 1 2 210.321 1.505 20 30 BDEDLO C=CC[N@@H+]1CCN(CCC)C(=O)C1(C)C ZINC000187851454 136208228 /nfs/dbraw/zinc/20/82/28/136208228.db2.gz YRJMZBFYJVYZQG-UHFFFAOYSA-N 1 2 210.321 1.505 20 30 BDEDLO CC(C)C[C@@H](C(=O)N[C@@H](C)CC#N)n1cc[nH+]c1 ZINC000602086464 349434504 /nfs/dbraw/zinc/43/45/04/349434504.db2.gz RLNNEUJILZCIFR-RYUDHWBXSA-N 1 2 248.330 1.889 20 30 BDEDLO CC[C@@H](C#N)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602087720 349434855 /nfs/dbraw/zinc/43/48/55/349434855.db2.gz DNSBYXQXQSBYES-RYUDHWBXSA-N 1 2 248.330 1.889 20 30 BDEDLO CC(C)C[C@@H](C(=O)NCCCC#N)n1cc[nH+]c1 ZINC000602130230 349457820 /nfs/dbraw/zinc/45/78/20/349457820.db2.gz LMFOSKDAXBCMJG-LBPRGKRZSA-N 1 2 248.330 1.890 20 30 BDEDLO N#CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000602162712 349466177 /nfs/dbraw/zinc/46/61/77/349466177.db2.gz DPUZZFBDCLOETR-NXEZZACHSA-N 1 2 244.298 1.323 20 30 BDEDLO N#CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000602162712 349466178 /nfs/dbraw/zinc/46/61/78/349466178.db2.gz DPUZZFBDCLOETR-NXEZZACHSA-N 1 2 244.298 1.323 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@H](C#N)C2)[nH+]1 ZINC000602166852 349467373 /nfs/dbraw/zinc/46/73/73/349467373.db2.gz LAYLDHLOCNEVIE-GXSJLCMTSA-N 1 2 246.314 1.323 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC=CCC1 ZINC000602333763 349508645 /nfs/dbraw/zinc/50/86/45/349508645.db2.gz PDUYNSONPFIAEY-CQSZACIVSA-N 1 2 249.358 1.693 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)no1)C1CC1 ZINC000274191803 398150206 /nfs/dbraw/zinc/15/02/06/398150206.db2.gz QGIMIFSOSFHEGB-UHFFFAOYSA-N 1 2 233.271 1.019 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1cc(C)no1)C1CC1 ZINC000274191803 398150212 /nfs/dbraw/zinc/15/02/12/398150212.db2.gz QGIMIFSOSFHEGB-UHFFFAOYSA-N 1 2 233.271 1.019 20 30 BDEDLO C=CCCCCNC(=O)NCc1c[nH+]cn1C ZINC000292536162 398166948 /nfs/dbraw/zinc/16/69/48/398166948.db2.gz PVMGRCXGISVVMF-UHFFFAOYSA-N 1 2 236.319 1.576 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CF)nc1 ZINC000576409280 365589571 /nfs/dbraw/zinc/58/95/71/365589571.db2.gz OAUCCOZAVMYCFX-LBPRGKRZSA-N 1 2 219.263 1.887 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CF)nc1 ZINC000576409280 365589578 /nfs/dbraw/zinc/58/95/78/365589578.db2.gz OAUCCOZAVMYCFX-LBPRGKRZSA-N 1 2 219.263 1.887 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000076343307 398236169 /nfs/dbraw/zinc/23/61/69/398236169.db2.gz VRXONENHSWZYQZ-UHFFFAOYSA-N 1 2 244.338 1.446 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602438005 349524771 /nfs/dbraw/zinc/52/47/71/349524771.db2.gz MLNVCXFUVHXJAI-UHFFFAOYSA-N 1 2 249.314 1.845 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602438005 349524774 /nfs/dbraw/zinc/52/47/74/349524774.db2.gz MLNVCXFUVHXJAI-UHFFFAOYSA-N 1 2 249.314 1.845 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127893671 136226688 /nfs/dbraw/zinc/22/66/88/136226688.db2.gz PBMNULKBYAZPHS-NSHDSACASA-N 1 2 233.315 1.377 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127893671 136226689 /nfs/dbraw/zinc/22/66/89/136226689.db2.gz PBMNULKBYAZPHS-NSHDSACASA-N 1 2 233.315 1.377 20 30 BDEDLO CC[C@H](C)[C@@H](C[N@@H+](CCC#N)CCOC)OC ZINC000602466036 349538636 /nfs/dbraw/zinc/53/86/36/349538636.db2.gz UQCARGWAAQVURV-QWHCGFSZSA-N 1 2 242.363 1.910 20 30 BDEDLO CC[C@H](C)[C@@H](C[N@H+](CCC#N)CCOC)OC ZINC000602466036 349538637 /nfs/dbraw/zinc/53/86/37/349538637.db2.gz UQCARGWAAQVURV-QWHCGFSZSA-N 1 2 242.363 1.910 20 30 BDEDLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576706919 365665937 /nfs/dbraw/zinc/66/59/37/365665937.db2.gz FAKUYBAVNDWDQM-RTXFEEFZSA-N 1 2 237.347 1.383 20 30 BDEDLO C[C@H](C#N)CN(C)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602446750 349547678 /nfs/dbraw/zinc/54/76/78/349547678.db2.gz IXXJOINOPOJNLU-PWSUYJOCSA-N 1 2 232.331 1.963 20 30 BDEDLO COC(=O)c1ccc(C[N@H+](C)C[C@@H](C)C#N)n1C ZINC000602449349 349550891 /nfs/dbraw/zinc/55/08/91/349550891.db2.gz ZGDFHRSHGGFQCP-JTQLQIEISA-N 1 2 249.314 1.403 20 30 BDEDLO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)n1C ZINC000602449349 349550897 /nfs/dbraw/zinc/55/08/97/349550897.db2.gz ZGDFHRSHGGFQCP-JTQLQIEISA-N 1 2 249.314 1.403 20 30 BDEDLO Cc1ccc(C#N)c(NCc2ccc(N)[nH+]c2)n1 ZINC000308393014 178364039 /nfs/dbraw/zinc/36/40/39/178364039.db2.gz QNXRMSNKZLHFHQ-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO Cc1ccc(C#N)c(NCCn2cc[nH+]c2)n1 ZINC000043395664 178364602 /nfs/dbraw/zinc/36/46/02/178364602.db2.gz YHBDAGBGTUVQFC-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000091670686 178365045 /nfs/dbraw/zinc/36/50/45/178365045.db2.gz IDEUEQHZIACXMH-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000091670686 178365049 /nfs/dbraw/zinc/36/50/49/178365049.db2.gz IDEUEQHZIACXMH-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO N#CC1(C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000600153073 342692092 /nfs/dbraw/zinc/69/20/92/342692092.db2.gz INOHDDABKWYHDK-UHFFFAOYSA-N 1 2 217.272 1.945 20 30 BDEDLO Cn1ncnc1C[NH+]1CCC(CCC#N)CC1 ZINC000399788329 342741975 /nfs/dbraw/zinc/74/19/75/342741975.db2.gz XHOLMOFFJCOBLD-UHFFFAOYSA-N 1 2 233.319 1.331 20 30 BDEDLO CC(C)Oc1ncccc1C[NH2+]CCC#N ZINC000042391749 342774722 /nfs/dbraw/zinc/77/47/22/342774722.db2.gz AFVUZEKVYZLEPI-UHFFFAOYSA-N 1 2 219.288 1.872 20 30 BDEDLO N#CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281603515 342796413 /nfs/dbraw/zinc/79/64/13/342796413.db2.gz GLFQWUGGPRBNLY-QWHCGFSZSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281603515 342796414 /nfs/dbraw/zinc/79/64/14/342796414.db2.gz GLFQWUGGPRBNLY-QWHCGFSZSA-N 1 2 234.274 1.847 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H]1CCCO1 ZINC000356088337 398289360 /nfs/dbraw/zinc/28/93/60/398289360.db2.gz OJZJCJGGEMTAQC-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H]1CCCO1 ZINC000356088337 398289363 /nfs/dbraw/zinc/28/93/63/398289363.db2.gz OJZJCJGGEMTAQC-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO CCOC(=O)c1cc(C[NH2+]C[C@H](C)C#N)on1 ZINC000602607073 349628821 /nfs/dbraw/zinc/62/88/21/349628821.db2.gz GLIQJGJDGVHUQW-MRVPVSSYSA-N 1 2 237.259 1.101 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)Cc1cccc(C#N)c1 ZINC000109829379 398296717 /nfs/dbraw/zinc/29/67/17/398296717.db2.gz MPXLBPZXYCFSRS-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)Cc1cccc(C#N)c1 ZINC000109829379 398296718 /nfs/dbraw/zinc/29/67/18/398296718.db2.gz MPXLBPZXYCFSRS-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc(C#N)c1 ZINC000109829379 398296719 /nfs/dbraw/zinc/29/67/19/398296719.db2.gz MPXLBPZXYCFSRS-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO N#CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000035113707 342883976 /nfs/dbraw/zinc/88/39/76/342883976.db2.gz POKSJCXLYZFASV-UHFFFAOYSA-N 1 2 240.310 1.935 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000584003390 342900106 /nfs/dbraw/zinc/90/01/06/342900106.db2.gz CXDAGIFXFWTYFJ-CYBMUJFWSA-N 1 2 235.331 1.137 20 30 BDEDLO COC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000227352644 536628242 /nfs/dbraw/zinc/62/82/42/536628242.db2.gz RXCXECHJTAJPHE-VIFPVBQESA-N 1 2 210.277 1.174 20 30 BDEDLO C=CC[N@@H+](C)Cc1cc(C(=O)OC)no1 ZINC000602622755 349641116 /nfs/dbraw/zinc/64/11/16/349641116.db2.gz MCTLOGXDZSDXRK-UHFFFAOYSA-N 1 2 210.233 1.079 20 30 BDEDLO C=CC[N@H+](C)Cc1cc(C(=O)OC)no1 ZINC000602622755 349641118 /nfs/dbraw/zinc/64/11/18/349641118.db2.gz MCTLOGXDZSDXRK-UHFFFAOYSA-N 1 2 210.233 1.079 20 30 BDEDLO Cn1nc2c(c1C[NH2+]CC1(C#N)CC1)CCCC2 ZINC000602642318 349654340 /nfs/dbraw/zinc/65/43/40/349654340.db2.gz INNQARSDWOBFBP-UHFFFAOYSA-N 1 2 244.342 1.692 20 30 BDEDLO CC[C@](C)(C[N@@H+]1CC[C@@](F)(C#N)C1)OC ZINC000602629948 349665248 /nfs/dbraw/zinc/66/52/48/349665248.db2.gz NBUNXPKGHVQMKA-GHMZBOCLSA-N 1 2 214.284 1.739 20 30 BDEDLO CC[C@](C)(C[N@H+]1CC[C@@](F)(C#N)C1)OC ZINC000602629948 349665250 /nfs/dbraw/zinc/66/52/50/349665250.db2.gz NBUNXPKGHVQMKA-GHMZBOCLSA-N 1 2 214.284 1.739 20 30 BDEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC(C)(C#N)C1 ZINC000602691644 349689111 /nfs/dbraw/zinc/68/91/11/349689111.db2.gz YFZYVLMLVKXTGW-NSHDSACASA-N 1 2 230.315 1.717 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000602734424 349719834 /nfs/dbraw/zinc/71/98/34/349719834.db2.gz ODNDGJLYAHTGGA-QWRGUYRKSA-N 1 2 241.331 1.651 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccns2)CC1 ZINC000602748065 349711692 /nfs/dbraw/zinc/71/16/92/349711692.db2.gz KASWRDVULGIFPB-UHFFFAOYSA-N 1 2 236.344 1.174 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000602733835 349718781 /nfs/dbraw/zinc/71/87/81/349718781.db2.gz LKYZSRQMAZPDMY-ZJUUUORDSA-N 1 2 215.293 1.119 20 30 BDEDLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000602817214 349758488 /nfs/dbraw/zinc/75/84/88/349758488.db2.gz UDVMTFYMUOCGSN-DCAQKATOSA-N 1 2 212.268 1.349 20 30 BDEDLO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@](F)(C#N)C1 ZINC000602817214 349758491 /nfs/dbraw/zinc/75/84/91/349758491.db2.gz UDVMTFYMUOCGSN-DCAQKATOSA-N 1 2 212.268 1.349 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1cccs1 ZINC000602860737 349772583 /nfs/dbraw/zinc/77/25/83/349772583.db2.gz DULLDYRYTKLSOM-VIFPVBQESA-N 1 2 237.328 1.256 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602860720 349772598 /nfs/dbraw/zinc/77/25/98/349772598.db2.gz FNGAKQILCDDEPP-QWRGUYRKSA-N 1 2 225.336 1.573 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000602863136 349774761 /nfs/dbraw/zinc/77/47/61/349774761.db2.gz LSDXHUBLDHTSHA-GHMZBOCLSA-N 1 2 237.347 1.716 20 30 BDEDLO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602860717 349772317 /nfs/dbraw/zinc/77/23/17/349772317.db2.gz FNGAKQILCDDEPP-GHMZBOCLSA-N 1 2 225.336 1.573 20 30 BDEDLO COc1ccnc(C[NH2+][C@@H](C)CC#N)c1 ZINC000602863790 349790125 /nfs/dbraw/zinc/79/01/25/349790125.db2.gz PSILXSXYRFLHCA-VIFPVBQESA-N 1 2 205.261 1.482 20 30 BDEDLO Cc1cnc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC000602848896 349784736 /nfs/dbraw/zinc/78/47/36/349784736.db2.gz IPIBGSCOTYLBJM-QWRGUYRKSA-N 1 2 248.330 1.401 20 30 BDEDLO C=CCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000628058307 343064751 /nfs/dbraw/zinc/06/47/51/343064751.db2.gz FVWXMFTVXDROHT-LLVKDONJSA-N 1 2 233.315 1.446 20 30 BDEDLO COCc1cnc(C[NH2+]CC2(C#N)CC2)s1 ZINC000309849731 343066113 /nfs/dbraw/zinc/06/61/13/343066113.db2.gz INMBCZRUMKFTOZ-UHFFFAOYSA-N 1 2 237.328 1.683 20 30 BDEDLO C=CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114471805 136266623 /nfs/dbraw/zinc/26/66/23/136266623.db2.gz IXTRDZNZTWUFIJ-VIFPVBQESA-N 1 2 237.328 1.732 20 30 BDEDLO C=CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114471805 136266624 /nfs/dbraw/zinc/26/66/24/136266624.db2.gz IXTRDZNZTWUFIJ-VIFPVBQESA-N 1 2 237.328 1.732 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1CCCCCC1 ZINC000602864163 349796343 /nfs/dbraw/zinc/79/63/43/349796343.db2.gz QESMRSOXKXKWCT-LLVKDONJSA-N 1 2 237.347 1.717 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000602865462 349797691 /nfs/dbraw/zinc/79/76/91/349797691.db2.gz VMQRUPFCXLJLDX-WOPDTQHZSA-N 1 2 237.347 1.668 20 30 BDEDLO CC(C)[N@H+](CCOCCC#N)CC(F)F ZINC000339024576 136271212 /nfs/dbraw/zinc/27/12/12/136271212.db2.gz UXVMUVVLNHHDPU-UHFFFAOYSA-N 1 2 220.263 1.892 20 30 BDEDLO CC(C)[N@@H+](CCOCCC#N)CC(F)F ZINC000339024576 136271213 /nfs/dbraw/zinc/27/12/13/136271213.db2.gz UXVMUVVLNHHDPU-UHFFFAOYSA-N 1 2 220.263 1.892 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1nncn1C ZINC000050418841 343153026 /nfs/dbraw/zinc/15/30/26/343153026.db2.gz AVJIAOZZOKNMGV-IUCAKERBSA-N 1 2 207.281 1.158 20 30 BDEDLO C=CCOCCC[NH2+]C(C)(C)C(=O)OC ZINC000308932906 136274223 /nfs/dbraw/zinc/27/42/23/136274223.db2.gz KAJIVHCZWOQTTN-UHFFFAOYSA-N 1 2 215.293 1.120 20 30 BDEDLO CC#CCN(C)c1nc(C)[nH+]c(C)c1C ZINC000338827459 136279642 /nfs/dbraw/zinc/27/96/42/136279642.db2.gz JKRUBHSECSGXHS-UHFFFAOYSA-N 1 2 203.289 1.861 20 30 BDEDLO C=CC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000051961087 343281943 /nfs/dbraw/zinc/28/19/43/343281943.db2.gz JTZXUOQFYXBCDT-NSHDSACASA-N 1 2 211.305 1.884 20 30 BDEDLO Cc1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602873110 349804261 /nfs/dbraw/zinc/80/42/61/349804261.db2.gz LMPYGBPHDOIVKO-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO Cc1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602873110 349804263 /nfs/dbraw/zinc/80/42/63/349804263.db2.gz LMPYGBPHDOIVKO-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO N#CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC000078288520 343367938 /nfs/dbraw/zinc/36/79/38/343367938.db2.gz YHQLOCUNCVYYPL-UHFFFAOYSA-N 1 2 232.287 1.226 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000151360613 343371003 /nfs/dbraw/zinc/37/10/03/343371003.db2.gz BHAIKYMIIDBWQA-WDEREUQCSA-N 1 2 243.347 1.491 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000602916765 349808713 /nfs/dbraw/zinc/80/87/13/349808713.db2.gz QGEUALXDMGVEGQ-ZDUSSCGKSA-N 1 2 239.315 1.054 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000602916765 349808717 /nfs/dbraw/zinc/80/87/17/349808717.db2.gz QGEUALXDMGVEGQ-ZDUSSCGKSA-N 1 2 239.315 1.054 20 30 BDEDLO C[N@H+](CCOCCC#N)Cc1nccs1 ZINC000292887724 136375792 /nfs/dbraw/zinc/37/57/92/136375792.db2.gz UUPOIYYEZLLXNM-UHFFFAOYSA-N 1 2 225.317 1.505 20 30 BDEDLO C[N@@H+](CCOCCC#N)Cc1nccs1 ZINC000292887724 136375793 /nfs/dbraw/zinc/37/57/93/136375793.db2.gz UUPOIYYEZLLXNM-UHFFFAOYSA-N 1 2 225.317 1.505 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](O)C1 ZINC000070849707 343514173 /nfs/dbraw/zinc/51/41/73/343514173.db2.gz CORIOMUKRBIBSL-LBPRGKRZSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](O)C1 ZINC000070849707 343514175 /nfs/dbraw/zinc/51/41/75/343514175.db2.gz CORIOMUKRBIBSL-LBPRGKRZSA-N 1 2 220.247 1.264 20 30 BDEDLO COCC[N@H+](CCC#N)CCc1ccncc1 ZINC000071230888 343636712 /nfs/dbraw/zinc/63/67/12/343636712.db2.gz LQJYDRQHZQHZDS-UHFFFAOYSA-N 1 2 233.315 1.486 20 30 BDEDLO COCC[N@@H+](CCC#N)CCc1ccncc1 ZINC000071230888 343636713 /nfs/dbraw/zinc/63/67/13/343636713.db2.gz LQJYDRQHZQHZDS-UHFFFAOYSA-N 1 2 233.315 1.486 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000602942207 349825495 /nfs/dbraw/zinc/82/54/95/349825495.db2.gz LNNJHHTYOPJIPN-PWSUYJOCSA-N 1 2 218.304 1.842 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000602942207 349825500 /nfs/dbraw/zinc/82/55/00/349825500.db2.gz LNNJHHTYOPJIPN-PWSUYJOCSA-N 1 2 218.304 1.842 20 30 BDEDLO C[C@@](CO)([NH2+]CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000602965546 349827109 /nfs/dbraw/zinc/82/71/09/349827109.db2.gz IDMTZMSFVXEKKM-LBPRGKRZSA-N 1 2 249.270 1.306 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981244 349830658 /nfs/dbraw/zinc/83/06/58/349830658.db2.gz ADMLMFCEIUBRNP-YPMHNXCESA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981244 349830661 /nfs/dbraw/zinc/83/06/61/349830661.db2.gz ADMLMFCEIUBRNP-YPMHNXCESA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981242 349830723 /nfs/dbraw/zinc/83/07/23/349830723.db2.gz ADMLMFCEIUBRNP-DGCLKSJQSA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981242 349830725 /nfs/dbraw/zinc/83/07/25/349830725.db2.gz ADMLMFCEIUBRNP-DGCLKSJQSA-N 1 2 232.331 1.853 20 30 BDEDLO C[N@H+](CC(=O)NCC1CCC1)[C@H]1CCC[C@H]1C#N ZINC000602976971 349842234 /nfs/dbraw/zinc/84/22/34/349842234.db2.gz VWFNMKHGCQMNPJ-STQMWFEESA-N 1 2 249.358 1.527 20 30 BDEDLO C[N@@H+](CC(=O)NCC1CCC1)[C@H]1CCC[C@H]1C#N ZINC000602976971 349842238 /nfs/dbraw/zinc/84/22/38/349842238.db2.gz VWFNMKHGCQMNPJ-STQMWFEESA-N 1 2 249.358 1.527 20 30 BDEDLO C=CCOCC[N@@H+](CC(=O)OCC)C1CC1 ZINC000338952482 343692497 /nfs/dbraw/zinc/69/24/97/343692497.db2.gz CMQRUUJDPGMJQU-UHFFFAOYSA-N 1 2 227.304 1.217 20 30 BDEDLO C=CCOCC[N@H+](CC(=O)OCC)C1CC1 ZINC000338952482 343692498 /nfs/dbraw/zinc/69/24/98/343692498.db2.gz CMQRUUJDPGMJQU-UHFFFAOYSA-N 1 2 227.304 1.217 20 30 BDEDLO CN(Cc1c[nH+]cn1C)[C@@H]1CCC[C@H]1C#N ZINC000602978498 349843530 /nfs/dbraw/zinc/84/35/30/349843530.db2.gz RVPKQOLMWMDYSZ-CMPLNLGQSA-N 1 2 218.304 1.544 20 30 BDEDLO C[N@H+](CC(=O)NC1CCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602975020 349839511 /nfs/dbraw/zinc/83/95/11/349839511.db2.gz XNYKKHCPCYMCKV-WCQYABFASA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@@H+](CC(=O)NC1CCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602975020 349839514 /nfs/dbraw/zinc/83/95/14/349839514.db2.gz XNYKKHCPCYMCKV-WCQYABFASA-N 1 2 249.358 1.669 20 30 BDEDLO CCN(C)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976914 349841498 /nfs/dbraw/zinc/84/14/98/349841498.db2.gz VHVLVRNBBHSIQP-QWRGUYRKSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976914 349841499 /nfs/dbraw/zinc/84/14/99/349841499.db2.gz VHVLVRNBBHSIQP-QWRGUYRKSA-N 1 2 223.320 1.089 20 30 BDEDLO CN1C[C@H](C[N@H+](CCC#N)CC2CC2)OC1=O ZINC000496774923 529824930 /nfs/dbraw/zinc/82/49/30/529824930.db2.gz FRHTYMOJTSFSBK-LLVKDONJSA-N 1 2 237.303 1.063 20 30 BDEDLO CN1C[C@H](C[N@@H+](CCC#N)CC2CC2)OC1=O ZINC000496774923 529824931 /nfs/dbraw/zinc/82/49/31/529824931.db2.gz FRHTYMOJTSFSBK-LLVKDONJSA-N 1 2 237.303 1.063 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)[C@H]1CCC[C@@H]1C#N ZINC000602980002 349845041 /nfs/dbraw/zinc/84/50/41/349845041.db2.gz KKQYODWKSXEJCT-MNOVXSKESA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)[C@H]1CCC[C@@H]1C#N ZINC000602980002 349845045 /nfs/dbraw/zinc/84/50/45/349845045.db2.gz KKQYODWKSXEJCT-MNOVXSKESA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602980672 349846607 /nfs/dbraw/zinc/84/66/07/349846607.db2.gz SYBBBGNDGYCJQG-VGMNWLOBSA-N 1 2 236.237 1.534 20 30 BDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602980672 349846611 /nfs/dbraw/zinc/84/66/11/349846611.db2.gz SYBBBGNDGYCJQG-VGMNWLOBSA-N 1 2 236.237 1.534 20 30 BDEDLO C=CCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584235202 343777087 /nfs/dbraw/zinc/77/70/87/343777087.db2.gz KQFYNNDFGIGDEZ-LLVKDONJSA-N 1 2 221.304 1.917 20 30 BDEDLO C#CCNc1nc(C)[nH+]c(C)c1Br ZINC000306410077 343778719 /nfs/dbraw/zinc/77/87/19/343778719.db2.gz MROHDSWOGYJZFK-UHFFFAOYSA-N 1 2 240.104 1.901 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000603159408 349879009 /nfs/dbraw/zinc/87/90/09/349879009.db2.gz KKFZQFPMHIOOLH-UWVGGRQHSA-N 1 2 234.303 1.773 20 30 BDEDLO CCO[C@@H]1C[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000393634061 343903371 /nfs/dbraw/zinc/90/33/71/343903371.db2.gz RWGYSAKVKZGOIK-DTWKUNHWSA-N 1 2 223.301 1.282 20 30 BDEDLO Cc1cc(NC[C@H]2CC23CC3)c(C#N)c[nH+]1 ZINC000335120340 343929506 /nfs/dbraw/zinc/92/95/06/343929506.db2.gz XMRDYSINEASJKW-LLVKDONJSA-N 1 2 213.284 1.896 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1cccc(OC)c1 ZINC000306057337 343966207 /nfs/dbraw/zinc/96/62/07/343966207.db2.gz VVHVVHDAECFGJP-CYBMUJFWSA-N 1 2 249.310 1.855 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(OC)c1 ZINC000306057337 343966210 /nfs/dbraw/zinc/96/62/10/343966210.db2.gz VVHVVHDAECFGJP-CYBMUJFWSA-N 1 2 249.310 1.855 20 30 BDEDLO N#CCCCCNc1cc(CO)cc[nH+]1 ZINC000603289641 349907900 /nfs/dbraw/zinc/90/79/00/349907900.db2.gz ZTKKJMXQYKCZKG-UHFFFAOYSA-N 1 2 205.261 1.102 20 30 BDEDLO C=CCCOCC[NH2+]Cc1csnn1 ZINC000133548951 344319596 /nfs/dbraw/zinc/31/95/96/344319596.db2.gz QGZBFMWTLAIYNV-UHFFFAOYSA-N 1 2 213.306 1.220 20 30 BDEDLO COc1ccc(C[NH2+][C@H](C)CC#N)cn1 ZINC000062070744 344333437 /nfs/dbraw/zinc/33/34/37/344333437.db2.gz UWPJDSBYYZCHTN-SECBINFHSA-N 1 2 205.261 1.482 20 30 BDEDLO CC[N@@H+](CC#N)CCCOCC(F)(F)F ZINC000045061898 344557172 /nfs/dbraw/zinc/55/71/72/344557172.db2.gz YTSFURFVIIFOIF-UHFFFAOYSA-N 1 2 224.226 1.801 20 30 BDEDLO CC[N@H+](CC#N)CCCOCC(F)(F)F ZINC000045061898 344557175 /nfs/dbraw/zinc/55/71/75/344557175.db2.gz YTSFURFVIIFOIF-UHFFFAOYSA-N 1 2 224.226 1.801 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000625953100 344591498 /nfs/dbraw/zinc/59/14/98/344591498.db2.gz JKWDEVXGGWSTCQ-STQMWFEESA-N 1 2 225.332 1.526 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000625953100 344591500 /nfs/dbraw/zinc/59/15/00/344591500.db2.gz JKWDEVXGGWSTCQ-STQMWFEESA-N 1 2 225.332 1.526 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000181589790 347065333 /nfs/dbraw/zinc/06/53/33/347065333.db2.gz GXTVHOBRMBSMMB-SECBINFHSA-N 1 2 240.278 1.806 20 30 BDEDLO COc1cccc(C(N)=[NH+]OC[C@@H](C)OC)c1 ZINC000181671499 347068417 /nfs/dbraw/zinc/06/84/17/347068417.db2.gz VGLIIYUWIWRQBB-SECBINFHSA-N 1 2 238.287 1.367 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819084 344751371 /nfs/dbraw/zinc/75/13/71/344751371.db2.gz FGEXNABUXGUPPV-CYBMUJFWSA-N 1 2 237.347 1.087 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819084 344751374 /nfs/dbraw/zinc/75/13/74/344751374.db2.gz FGEXNABUXGUPPV-CYBMUJFWSA-N 1 2 237.347 1.087 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626066238 344710347 /nfs/dbraw/zinc/71/03/47/344710347.db2.gz BNPWYHRIXXAECA-GXSJLCMTSA-N 1 2 233.315 1.445 20 30 BDEDLO Cc1cc(NC(=O)N2CCO[C@@H](C#N)C2)cc[nH+]1 ZINC000119634031 344856756 /nfs/dbraw/zinc/85/67/56/344856756.db2.gz JFHRZWRYVVSWKR-NSHDSACASA-N 1 2 246.270 1.146 20 30 BDEDLO N#Cc1ccc(C[N@H+](C2CC2)C2COC2)nc1 ZINC000574528084 344891048 /nfs/dbraw/zinc/89/10/48/344891048.db2.gz ARFGMMUZJWXANK-UHFFFAOYSA-N 1 2 229.283 1.316 20 30 BDEDLO N#Cc1ccc(C[N@@H+](C2CC2)C2COC2)nc1 ZINC000574528084 344891051 /nfs/dbraw/zinc/89/10/51/344891051.db2.gz ARFGMMUZJWXANK-UHFFFAOYSA-N 1 2 229.283 1.316 20 30 BDEDLO C[N@@H+](Cc1cccnc1)C[C@@H](C#N)CCC#N ZINC000121000829 344907571 /nfs/dbraw/zinc/90/75/71/344907571.db2.gz FWTOXXYHSSIULX-GFCCVEGCSA-N 1 2 228.299 1.957 20 30 BDEDLO C[N@H+](Cc1cccnc1)C[C@@H](C#N)CCC#N ZINC000121000829 344907573 /nfs/dbraw/zinc/90/75/73/344907573.db2.gz FWTOXXYHSSIULX-GFCCVEGCSA-N 1 2 228.299 1.957 20 30 BDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CC#N)c1 ZINC000153614020 344926435 /nfs/dbraw/zinc/92/64/35/344926435.db2.gz XGWWONOIQWXQIE-UHFFFAOYSA-N 1 2 240.266 1.939 20 30 BDEDLO Cc1cccc(C)c1CO[NH+]=C(N)CCO ZINC000121347575 344921520 /nfs/dbraw/zinc/92/15/20/344921520.db2.gz CJMIEYUWQIDJGW-UHFFFAOYSA-N 1 2 222.288 1.475 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(C)[nH+]cc1C#N ZINC000425243748 192085386 /nfs/dbraw/zinc/08/53/86/192085386.db2.gz GBQZUUJVIFOSCR-LLVKDONJSA-N 1 2 231.299 1.280 20 30 BDEDLO Cc1cc(N2CC[C@@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000425245125 192085659 /nfs/dbraw/zinc/08/56/59/192085659.db2.gz WBKVDMYDSCXXEM-CQSZACIVSA-N 1 2 243.310 1.879 20 30 BDEDLO Cc1cc(N(C)Cc2ccnn2C)c(C#N)c[nH+]1 ZINC000425259570 192085893 /nfs/dbraw/zinc/08/58/93/192085893.db2.gz MKPVYCXKKGUQKO-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N(C)Cc1[nH+]ccn1C ZINC000136246211 345492740 /nfs/dbraw/zinc/49/27/40/345492740.db2.gz LFPPCHANJMQNOI-GFCCVEGCSA-N 1 2 234.303 1.318 20 30 BDEDLO CO[C@H](C)c1noc(C[N@H+](C)CCCC#N)n1 ZINC000081560130 345478878 /nfs/dbraw/zinc/47/88/78/345478878.db2.gz HUPDPBMQZBWWNS-SECBINFHSA-N 1 2 238.291 1.513 20 30 BDEDLO CO[C@H](C)c1noc(C[N@@H+](C)CCCC#N)n1 ZINC000081560130 345478879 /nfs/dbraw/zinc/47/88/79/345478879.db2.gz HUPDPBMQZBWWNS-SECBINFHSA-N 1 2 238.291 1.513 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000081514178 345482230 /nfs/dbraw/zinc/48/22/30/345482230.db2.gz MVRMJESKCLNIAI-ZDUSSCGKSA-N 1 2 249.358 1.811 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000081514178 345482232 /nfs/dbraw/zinc/48/22/32/345482232.db2.gz MVRMJESKCLNIAI-ZDUSSCGKSA-N 1 2 249.358 1.811 20 30 BDEDLO C#CC[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000089592765 345561518 /nfs/dbraw/zinc/56/15/18/345561518.db2.gz XLVXVBLTMLXKRZ-UHFFFAOYSA-N 1 2 248.355 1.171 20 30 BDEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)nn1 ZINC000091424931 345592443 /nfs/dbraw/zinc/59/24/43/345592443.db2.gz CFPVHFXAGYWTJL-UHFFFAOYSA-N 1 2 228.259 1.047 20 30 BDEDLO C=CCCn1cc[nH+]c1CN1CCOCC1 ZINC000641722446 362638173 /nfs/dbraw/zinc/63/81/73/362638173.db2.gz MLJMIJVBAFYQRB-UHFFFAOYSA-N 1 2 221.304 1.291 20 30 BDEDLO C=CCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635871342 346092956 /nfs/dbraw/zinc/09/29/56/346092956.db2.gz DQWGCDOWAXYTLD-UHFFFAOYSA-N 1 2 221.304 1.597 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635891830 346103434 /nfs/dbraw/zinc/10/34/34/346103434.db2.gz PFRVIJNMKASSOQ-SNVBAGLBSA-N 1 2 235.331 1.986 20 30 BDEDLO C=CCN(CCOC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628251723 346221809 /nfs/dbraw/zinc/22/18/09/346221809.db2.gz SVRFIDBNYZMPRF-UHFFFAOYSA-N 1 2 223.320 1.661 20 30 BDEDLO N#CC[C@@]1(O)CCN(c2cc[nH+]cc2F)C1 ZINC000603394528 349945695 /nfs/dbraw/zinc/94/56/95/349945695.db2.gz BLMCDIWEQRQGCC-LLVKDONJSA-N 1 2 221.235 1.076 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000588985350 346276752 /nfs/dbraw/zinc/27/67/52/346276752.db2.gz MZNOFSPGJGEPKF-YPMHNXCESA-N 1 2 241.331 1.199 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@](CO)(CCC)C1 ZINC000588985350 346276755 /nfs/dbraw/zinc/27/67/55/346276755.db2.gz MZNOFSPGJGEPKF-YPMHNXCESA-N 1 2 241.331 1.199 20 30 BDEDLO C=CC[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000052179375 346283678 /nfs/dbraw/zinc/28/36/78/346283678.db2.gz AECQOBSPCNTUDX-LLVKDONJSA-N 1 2 227.304 1.120 20 30 BDEDLO N#CCCN1CCN(c2cc[nH+]cc2F)CC1 ZINC000603419280 349964380 /nfs/dbraw/zinc/96/43/80/349964380.db2.gz SMMFRAVURHUQLK-UHFFFAOYSA-N 1 2 234.278 1.256 20 30 BDEDLO Cc1cc(NC(=O)c2cccc(C#N)n2)cc[nH+]1 ZINC000589261249 346681870 /nfs/dbraw/zinc/68/18/70/346681870.db2.gz BNUJRZLKMHCQHR-UHFFFAOYSA-N 1 2 238.250 1.331 20 30 BDEDLO CC(C)CN1CC[N@H+](CCCC#N)[C@@H](C)C1=O ZINC000361841978 346699357 /nfs/dbraw/zinc/69/93/57/346699357.db2.gz INMRCFRBEGPMBP-LBPRGKRZSA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)CN1CC[N@@H+](CCCC#N)[C@@H](C)C1=O ZINC000361841978 346699360 /nfs/dbraw/zinc/69/93/60/346699360.db2.gz INMRCFRBEGPMBP-LBPRGKRZSA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1CC1(C#N)CC1 ZINC000590184452 346788894 /nfs/dbraw/zinc/78/88/94/346788894.db2.gz PZONCCPNABPMQT-GFCCVEGCSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1CC1(C#N)CC1 ZINC000590184452 346788896 /nfs/dbraw/zinc/78/88/96/346788896.db2.gz PZONCCPNABPMQT-GFCCVEGCSA-N 1 2 249.358 1.527 20 30 BDEDLO COCCCO[NH+]=C(N)COc1ccccc1 ZINC000183241207 347122460 /nfs/dbraw/zinc/12/24/60/347122460.db2.gz BZSLFNPZBIMOSZ-UHFFFAOYSA-N 1 2 238.287 1.391 20 30 BDEDLO COCCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000183246419 347123165 /nfs/dbraw/zinc/12/31/65/347123165.db2.gz IXGPOAMCOHFGTD-UHFFFAOYSA-N 1 2 240.278 1.808 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cc1nnn(C)n1 ZINC000193379283 347396715 /nfs/dbraw/zinc/39/67/15/347396715.db2.gz VDHPHVTWFWQOFS-UHFFFAOYSA-N 1 2 223.324 1.388 20 30 BDEDLO C=CCCCCC[N@H+](C)Cc1nnn(C)n1 ZINC000193379283 347396719 /nfs/dbraw/zinc/39/67/19/347396719.db2.gz VDHPHVTWFWQOFS-UHFFFAOYSA-N 1 2 223.324 1.388 20 30 BDEDLO Cc1cc(C)c(NC(=O)N2CC(C#N)C2)c(C)[nH+]1 ZINC000590836298 347571818 /nfs/dbraw/zinc/57/18/18/347571818.db2.gz JNQDYWDPPZQYDM-UHFFFAOYSA-N 1 2 244.298 1.994 20 30 BDEDLO Cc1cc(N[C@H](C)C[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000591821437 347701418 /nfs/dbraw/zinc/70/14/18/347701418.db2.gz XMDXYIMDCYSVID-VXGBXAGGSA-N 1 2 245.326 1.911 20 30 BDEDLO C=CCOCCNC(=O)Nc1cc[nH+]cc1C ZINC000679568275 488358531 /nfs/dbraw/zinc/35/85/31/488358531.db2.gz FLYVZCCTKMJGJU-UHFFFAOYSA-N 1 2 235.287 1.136 20 30 BDEDLO COCC[N@H+](C)Cc1ccncc1C#N ZINC000592064143 347726262 /nfs/dbraw/zinc/72/62/62/347726262.db2.gz MXUVAWLCPOPQMS-UHFFFAOYSA-N 1 2 205.261 1.031 20 30 BDEDLO COCC[N@@H+](C)Cc1ccncc1C#N ZINC000592064143 347726265 /nfs/dbraw/zinc/72/62/65/347726265.db2.gz MXUVAWLCPOPQMS-UHFFFAOYSA-N 1 2 205.261 1.031 20 30 BDEDLO CO[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592067508 347726665 /nfs/dbraw/zinc/72/66/65/347726665.db2.gz XOCLNCUTQUASPI-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO CO[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592067508 347726669 /nfs/dbraw/zinc/72/66/69/347726669.db2.gz XOCLNCUTQUASPI-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccncc1C#N ZINC000592115057 347736252 /nfs/dbraw/zinc/73/62/52/347736252.db2.gz DSHBXNGOKLEEJD-AOOOYVTPSA-N 1 2 201.273 1.936 20 30 BDEDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccncc1C#N ZINC000592115057 347736254 /nfs/dbraw/zinc/73/62/54/347736254.db2.gz DSHBXNGOKLEEJD-AOOOYVTPSA-N 1 2 201.273 1.936 20 30 BDEDLO CC(C)n1ccnc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150706 347741819 /nfs/dbraw/zinc/74/18/19/347741819.db2.gz HNTVWOOIUILKOY-ZDUSSCGKSA-N 1 2 248.330 1.314 20 30 BDEDLO CC(C)n1ccnc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150706 347741821 /nfs/dbraw/zinc/74/18/21/347741821.db2.gz HNTVWOOIUILKOY-ZDUSSCGKSA-N 1 2 248.330 1.314 20 30 BDEDLO CC(C)n1cc[nH+]c1CN1CC[C@@](O)(CC#N)C1 ZINC000592150706 347741823 /nfs/dbraw/zinc/74/18/23/347741823.db2.gz HNTVWOOIUILKOY-ZDUSSCGKSA-N 1 2 248.330 1.314 20 30 BDEDLO C[C@H](CC(=O)NCC(C)(C)CC#N)n1cc[nH+]c1 ZINC000593172163 347868204 /nfs/dbraw/zinc/86/82/04/347868204.db2.gz JONYIOZJKUWDAW-LLVKDONJSA-N 1 2 248.330 1.890 20 30 BDEDLO CC[C@H](C#N)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593445504 347891909 /nfs/dbraw/zinc/89/19/09/347891909.db2.gz YKEGWPBJWDCKLI-SNVBAGLBSA-N 1 2 246.314 1.180 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000593510928 347902043 /nfs/dbraw/zinc/90/20/43/347902043.db2.gz ZCFLPPDAWPLOAJ-JTQLQIEISA-N 1 2 246.314 1.665 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000593510928 347902046 /nfs/dbraw/zinc/90/20/46/347902046.db2.gz ZCFLPPDAWPLOAJ-JTQLQIEISA-N 1 2 246.314 1.665 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cn1 ZINC000593966748 347973517 /nfs/dbraw/zinc/97/35/17/347973517.db2.gz XFYLLEJUGFNSOT-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cn1 ZINC000593966748 347973520 /nfs/dbraw/zinc/97/35/20/347973520.db2.gz XFYLLEJUGFNSOT-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000594010831 347985937 /nfs/dbraw/zinc/98/59/37/347985937.db2.gz PCRQPQOJILASRG-LBPRGKRZSA-N 1 2 249.358 1.573 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)CCCCC#N ZINC000594366631 348042883 /nfs/dbraw/zinc/04/28/83/348042883.db2.gz FMZWVKCSHWOZHQ-UHFFFAOYSA-N 1 2 234.303 1.603 20 30 BDEDLO C=C[C@@H]([NH2+]CCCC1CCC1)C(=O)OC ZINC000594726424 348107736 /nfs/dbraw/zinc/10/77/36/348107736.db2.gz MAYARTJUZVQZST-LLVKDONJSA-N 1 2 211.305 1.884 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)Cc1ncc[nH]1 ZINC000595402154 348239256 /nfs/dbraw/zinc/23/92/56/348239256.db2.gz RCMSSHUUNWNWHA-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)Cc1ncc[nH]1 ZINC000595402154 348239258 /nfs/dbraw/zinc/23/92/58/348239258.db2.gz RCMSSHUUNWNWHA-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO CN(CCC(C)(C)C#N)Cc1[nH]cc[nH+]1 ZINC000595402154 348239260 /nfs/dbraw/zinc/23/92/60/348239260.db2.gz RCMSSHUUNWNWHA-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO COC[C@@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000595464169 348257158 /nfs/dbraw/zinc/25/71/58/348257158.db2.gz DRMSUHPFDSDSOX-VXGBXAGGSA-N 1 2 240.347 1.662 20 30 BDEDLO COC[C@@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000595464169 348257159 /nfs/dbraw/zinc/25/71/59/348257159.db2.gz DRMSUHPFDSDSOX-VXGBXAGGSA-N 1 2 240.347 1.662 20 30 BDEDLO C[C@]1(C(N)=O)CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595468354 348258490 /nfs/dbraw/zinc/25/84/90/348258490.db2.gz YQJCUVUNKHKLHQ-JSGCOSHPSA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@]1(C(N)=O)CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595468354 348258492 /nfs/dbraw/zinc/25/84/92/348258492.db2.gz YQJCUVUNKHKLHQ-JSGCOSHPSA-N 1 2 243.310 1.449 20 30 BDEDLO CC(C)CNC(=O)CCC[NH+]1CC(C)(C#N)C1 ZINC000595467958 348258761 /nfs/dbraw/zinc/25/87/61/348258761.db2.gz VKYDYQIVVPJXOX-UHFFFAOYSA-N 1 2 237.347 1.384 20 30 BDEDLO CCC(CC)C[N@H+](CCC#N)CCc1c[nH]nn1 ZINC000595348592 348236376 /nfs/dbraw/zinc/23/63/76/348236376.db2.gz UAHZJAMTHMJPJX-UHFFFAOYSA-N 1 2 249.362 1.999 20 30 BDEDLO CCC(CC)C[N@@H+](CCC#N)CCc1c[nH]nn1 ZINC000595348592 348236379 /nfs/dbraw/zinc/23/63/79/348236379.db2.gz UAHZJAMTHMJPJX-UHFFFAOYSA-N 1 2 249.362 1.999 20 30 BDEDLO C=CCN(CCC#N)Cc1cn(C)c[nH+]1 ZINC000595500626 348263838 /nfs/dbraw/zinc/26/38/38/348263838.db2.gz FLYSIRAQUWGSDT-UHFFFAOYSA-N 1 2 204.277 1.322 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)Cc1n[nH]c(=O)o1 ZINC000595546872 348267902 /nfs/dbraw/zinc/26/79/02/348267902.db2.gz JYPLEUILTSDARC-UHFFFAOYSA-N 1 2 224.264 1.147 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)Cc1n[nH]c(=O)o1 ZINC000595546872 348267905 /nfs/dbraw/zinc/26/79/05/348267905.db2.gz JYPLEUILTSDARC-UHFFFAOYSA-N 1 2 224.264 1.147 20 30 BDEDLO C[N@@H+](Cc1cnc[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000595593328 348278374 /nfs/dbraw/zinc/27/83/74/348278374.db2.gz VCPWTDRCQYJXSU-KOLCDFICSA-N 1 2 204.277 1.534 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](CCc1cn[nH]n1)C2 ZINC000595561953 348281225 /nfs/dbraw/zinc/28/12/25/348281225.db2.gz RDKIJFCGKZJKSZ-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](CCc1cn[nH]n1)C2 ZINC000595561953 348281228 /nfs/dbraw/zinc/28/12/28/348281228.db2.gz RDKIJFCGKZJKSZ-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CNC(=O)C1)C2 ZINC000595563043 348281852 /nfs/dbraw/zinc/28/18/52/348281852.db2.gz XXSWLXJIJHBCPC-JTQLQIEISA-N 1 2 241.294 1.010 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CNC(=O)C1)C2 ZINC000595563043 348281855 /nfs/dbraw/zinc/28/18/55/348281855.db2.gz XXSWLXJIJHBCPC-JTQLQIEISA-N 1 2 241.294 1.010 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000595613488 348288405 /nfs/dbraw/zinc/28/84/05/348288405.db2.gz DBWIEGRMLWBNGR-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000595613488 348288407 /nfs/dbraw/zinc/28/84/07/348288407.db2.gz DBWIEGRMLWBNGR-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595641901 348304099 /nfs/dbraw/zinc/30/40/99/348304099.db2.gz BIQPYHWTWQSGMX-VHSXEESVSA-N 1 2 247.302 1.243 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595641901 348304102 /nfs/dbraw/zinc/30/41/02/348304102.db2.gz BIQPYHWTWQSGMX-VHSXEESVSA-N 1 2 247.302 1.243 20 30 BDEDLO CC[N@H+](CCC(=O)N1CCC[C@@H]1C)[C@H](C)C#N ZINC000595813068 348352986 /nfs/dbraw/zinc/35/29/86/348352986.db2.gz JWXWYVWBUUIABP-NWDGAFQWSA-N 1 2 237.347 1.621 20 30 BDEDLO CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)[C@H](C)C#N ZINC000595813068 348352987 /nfs/dbraw/zinc/35/29/87/348352987.db2.gz JWXWYVWBUUIABP-NWDGAFQWSA-N 1 2 237.347 1.621 20 30 BDEDLO C[C@H](C#N)CNc1[nH+]cnc2[nH]ccc21 ZINC000308983723 323183462 /nfs/dbraw/zinc/18/34/62/323183462.db2.gz IYUOGNZKALOTPX-SSDOTTSWSA-N 1 2 201.233 1.529 20 30 BDEDLO COC(=O)[C@](C)(CCF)[NH2+]CCCCC#N ZINC000595769714 348335783 /nfs/dbraw/zinc/33/57/83/348335783.db2.gz OSVVEKKAEOIZAT-NSHDSACASA-N 1 2 230.283 1.561 20 30 BDEDLO C=CCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595770748 348336711 /nfs/dbraw/zinc/33/67/11/348336711.db2.gz UOUSUYSRAAQQMI-NSHDSACASA-N 1 2 217.284 1.834 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781004 348344155 /nfs/dbraw/zinc/34/41/55/348344155.db2.gz OSKHODXXHDWBCH-OUAUKWLOSA-N 1 2 227.304 1.213 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781004 348344158 /nfs/dbraw/zinc/34/41/58/348344158.db2.gz OSKHODXXHDWBCH-OUAUKWLOSA-N 1 2 227.304 1.213 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595838498 348371976 /nfs/dbraw/zinc/37/19/76/348371976.db2.gz VMWWAQOKGNUOLP-OCCSQVGLSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595838498 348371979 /nfs/dbraw/zinc/37/19/79/348371979.db2.gz VMWWAQOKGNUOLP-OCCSQVGLSA-N 1 2 249.358 1.621 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccn2)C1 ZINC000595838692 348372615 /nfs/dbraw/zinc/37/26/15/348372615.db2.gz CXMNJEJJZXWMLY-GFCCVEGCSA-N 1 2 201.273 1.817 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccn2)C1 ZINC000595838692 348372617 /nfs/dbraw/zinc/37/26/17/348372617.db2.gz CXMNJEJJZXWMLY-GFCCVEGCSA-N 1 2 201.273 1.817 20 30 BDEDLO Cc1noc(CCC[N@@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595840330 348373514 /nfs/dbraw/zinc/37/35/14/348373514.db2.gz NRKYJKOKVBHDHR-GFCCVEGCSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1noc(CCC[N@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595840330 348373517 /nfs/dbraw/zinc/37/35/17/348373517.db2.gz NRKYJKOKVBHDHR-GFCCVEGCSA-N 1 2 234.303 1.546 20 30 BDEDLO COc1cncc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841061 348375335 /nfs/dbraw/zinc/37/53/35/348375335.db2.gz GSYHXXNDMVQSCZ-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cncc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841061 348375337 /nfs/dbraw/zinc/37/53/37/348375337.db2.gz GSYHXXNDMVQSCZ-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO C[C@](O)(C[N@@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC000595844526 348381783 /nfs/dbraw/zinc/38/17/83/348381783.db2.gz UNPXNANFXCYJRS-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@](O)(C[N@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC000595844526 348381785 /nfs/dbraw/zinc/38/17/85/348381785.db2.gz UNPXNANFXCYJRS-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO Cc1nccn1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844251 348381861 /nfs/dbraw/zinc/38/18/61/348381861.db2.gz RTWMCMDNWJZRLR-GFCCVEGCSA-N 1 2 218.304 1.427 20 30 BDEDLO Cc1nccn1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844251 348381863 /nfs/dbraw/zinc/38/18/63/348381863.db2.gz RTWMCMDNWJZRLR-GFCCVEGCSA-N 1 2 218.304 1.427 20 30 BDEDLO C=CCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000263720121 187397124 /nfs/dbraw/zinc/39/71/24/187397124.db2.gz XWAXBHYUUIRLBG-UHFFFAOYSA-N 1 2 243.310 1.959 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)s1 ZINC000595886325 348389372 /nfs/dbraw/zinc/38/93/72/348389372.db2.gz UTFKVFZZBXMAKW-ZJUUUORDSA-N 1 2 236.344 1.971 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)s1 ZINC000595886325 348389374 /nfs/dbraw/zinc/38/93/74/348389374.db2.gz UTFKVFZZBXMAKW-ZJUUUORDSA-N 1 2 236.344 1.971 20 30 BDEDLO N#CCC[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000596069337 348437691 /nfs/dbraw/zinc/43/76/91/348437691.db2.gz DKAHHSJOZTZQPE-CYBMUJFWSA-N 1 2 245.326 1.789 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1nccs1 ZINC000266882662 187399040 /nfs/dbraw/zinc/39/90/40/187399040.db2.gz ATTGKKOCQCMSHC-SECBINFHSA-N 1 2 237.328 1.425 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1nccs1 ZINC000266882662 187399042 /nfs/dbraw/zinc/39/90/42/187399042.db2.gz ATTGKKOCQCMSHC-SECBINFHSA-N 1 2 237.328 1.425 20 30 BDEDLO Cc1cc(N2C[C@H](C)[C@](C)(CO)C2)c(C#N)c[nH+]1 ZINC000596545719 348584986 /nfs/dbraw/zinc/58/49/86/348584986.db2.gz URHGJRYEKOQDEB-HZMBPMFUSA-N 1 2 245.326 1.716 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597042558 348649422 /nfs/dbraw/zinc/64/94/22/348649422.db2.gz SUUSHARNICUPOJ-HBNTYKKESA-N 1 2 246.314 1.332 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597042557 348649538 /nfs/dbraw/zinc/64/95/38/348649538.db2.gz SUUSHARNICUPOJ-GMTAPVOTSA-N 1 2 246.314 1.332 20 30 BDEDLO COC(=O)c1oc(C[NH2+]C[C@@H](C)C#N)cc1C ZINC000597082872 348658521 /nfs/dbraw/zinc/65/85/21/348658521.db2.gz MUXLAGAPMBQXEG-QMMMGPOBSA-N 1 2 236.271 1.624 20 30 BDEDLO Cn1cc(C[NH+]2CC(CC#N)C2)c(C(F)F)n1 ZINC000597203755 348677735 /nfs/dbraw/zinc/67/77/35/348677735.db2.gz OHSSTKFGENQNMQ-UHFFFAOYSA-N 1 2 240.257 1.703 20 30 BDEDLO C[C@H](CC#N)C(=O)NCCCCn1cc[nH+]c1 ZINC000597224287 348694312 /nfs/dbraw/zinc/69/43/12/348694312.db2.gz DBUIWQROFCFHBT-LLVKDONJSA-N 1 2 234.303 1.329 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)CC#N ZINC000597734816 348799979 /nfs/dbraw/zinc/79/99/79/348799979.db2.gz DQBSGKPNCJCSPU-UWVGGRQHSA-N 1 2 234.303 1.630 20 30 BDEDLO C=CCCSCCNC(=O)Cn1cc[nH+]c1 ZINC000597971354 348856203 /nfs/dbraw/zinc/85/62/03/348856203.db2.gz XEQWKZQAHWOHQC-UHFFFAOYSA-N 1 2 239.344 1.309 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465345 348977948 /nfs/dbraw/zinc/97/79/48/348977948.db2.gz QLHLILJRNRGFDV-IUCAKERBSA-N 1 2 220.276 1.147 20 30 BDEDLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598715105 349025795 /nfs/dbraw/zinc/02/57/95/349025795.db2.gz NCVVBVOHXWUQRN-NSHDSACASA-N 1 2 236.319 1.109 20 30 BDEDLO Cc1cc(NC[C@H]2COCC[N@H+]2C)cc(C#N)n1 ZINC000599160372 349108534 /nfs/dbraw/zinc/10/85/34/349108534.db2.gz GRBOFVHPADTSRJ-ZDUSSCGKSA-N 1 2 246.314 1.004 20 30 BDEDLO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000598895102 349059526 /nfs/dbraw/zinc/05/95/26/349059526.db2.gz SBTUCZKGLDZZOS-ZJUUUORDSA-N 1 2 211.309 1.183 20 30 BDEDLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)cc(C#N)n1 ZINC000599160372 349108535 /nfs/dbraw/zinc/10/85/35/349108535.db2.gz GRBOFVHPADTSRJ-ZDUSSCGKSA-N 1 2 246.314 1.004 20 30 BDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599236371 349129783 /nfs/dbraw/zinc/12/97/83/349129783.db2.gz BAGRSXXYYSKPFO-MNOVXSKESA-N 1 2 246.314 1.172 20 30 BDEDLO COc1cncc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000599367009 349160628 /nfs/dbraw/zinc/16/06/28/349160628.db2.gz SQHFGWIOJLKILX-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1CCCSC1)C(=O)OC ZINC000308937911 349169593 /nfs/dbraw/zinc/16/95/93/349169593.db2.gz LIKJGSTVABUBAX-VHSXEESVSA-N 1 2 229.345 1.447 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000307257897 349256748 /nfs/dbraw/zinc/25/67/48/349256748.db2.gz BPCDHMZWKUYBCO-SNVBAGLBSA-N 1 2 201.697 1.850 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000307257897 349256750 /nfs/dbraw/zinc/25/67/50/349256750.db2.gz BPCDHMZWKUYBCO-SNVBAGLBSA-N 1 2 201.697 1.850 20 30 BDEDLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C#N ZINC000601812872 349348374 /nfs/dbraw/zinc/34/83/74/349348374.db2.gz ZNGYBGGNHLLTSW-NWDGAFQWSA-N 1 2 246.314 1.424 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601815822 349350448 /nfs/dbraw/zinc/35/04/48/349350448.db2.gz KHDVMYNUQOZNKD-ZYHUDNBSSA-N 1 2 246.314 1.411 20 30 BDEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCC[C@H]1C#N ZINC000601818122 349351825 /nfs/dbraw/zinc/35/18/25/349351825.db2.gz NKFMHRLDJFGOPV-WDEREUQCSA-N 1 2 232.287 1.034 20 30 BDEDLO C[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)c1[nH]cc[nH+]1 ZINC000601597272 349306452 /nfs/dbraw/zinc/30/64/52/349306452.db2.gz XPIHPPAGFPRAPI-SECBINFHSA-N 1 2 244.298 1.671 20 30 BDEDLO N#C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973730 349409465 /nfs/dbraw/zinc/40/94/65/349409465.db2.gz NCMVQEAPHFRJSG-HZSPNIEDSA-N 1 2 228.295 1.829 20 30 BDEDLO N#C[C@H](c1ccccc1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973730 349409469 /nfs/dbraw/zinc/40/94/69/349409469.db2.gz NCMVQEAPHFRJSG-HZSPNIEDSA-N 1 2 228.295 1.829 20 30 BDEDLO C=C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000130645184 490348621 /nfs/dbraw/zinc/34/86/21/490348621.db2.gz LLPLXEQOKYSFBR-ZETCQYMHSA-N 1 2 203.249 1.350 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC000176921064 166321871 /nfs/dbraw/zinc/32/18/71/166321871.db2.gz GXIZHUGWDUFISF-UHFFFAOYSA-N 1 2 222.292 1.083 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC000176921064 166321873 /nfs/dbraw/zinc/32/18/73/166321873.db2.gz GXIZHUGWDUFISF-UHFFFAOYSA-N 1 2 222.292 1.083 20 30 BDEDLO CC#CCN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365401402 350267615 /nfs/dbraw/zinc/26/76/15/350267615.db2.gz FFCVAPDBZYSHNA-UHFFFAOYSA-N 1 2 217.316 1.675 20 30 BDEDLO CC#CC[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000365401402 350267618 /nfs/dbraw/zinc/26/76/18/350267618.db2.gz FFCVAPDBZYSHNA-UHFFFAOYSA-N 1 2 217.316 1.675 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000365401402 350267620 /nfs/dbraw/zinc/26/76/20/350267620.db2.gz FFCVAPDBZYSHNA-UHFFFAOYSA-N 1 2 217.316 1.675 20 30 BDEDLO C=C[C@H]([NH2+]CCCc1ccccc1)C(=O)OC ZINC000304209012 350407273 /nfs/dbraw/zinc/40/72/73/350407273.db2.gz GMKXEQPKXQJANC-ZDUSSCGKSA-N 1 2 233.311 1.936 20 30 BDEDLO C[C@H](O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000336688749 350445054 /nfs/dbraw/zinc/44/50/54/350445054.db2.gz YTDOCEZPBKTGCB-NSHDSACASA-N 1 2 222.288 1.766 20 30 BDEDLO C[C@H](O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000336688749 350445056 /nfs/dbraw/zinc/44/50/56/350445056.db2.gz YTDOCEZPBKTGCB-NSHDSACASA-N 1 2 222.288 1.766 20 30 BDEDLO CCn1ccnc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000581721918 350762734 /nfs/dbraw/zinc/76/27/34/350762734.db2.gz WQUYYMSVQAYROP-NWDGAFQWSA-N 1 2 245.330 1.997 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC[C@@H](C#N)CCC#N ZINC000581721918 350762739 /nfs/dbraw/zinc/76/27/39/350762739.db2.gz WQUYYMSVQAYROP-NWDGAFQWSA-N 1 2 245.330 1.997 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000052241676 350940592 /nfs/dbraw/zinc/94/05/92/350940592.db2.gz PZXBEQGAABQBMC-UHFFFAOYSA-N 1 2 246.310 1.287 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000389838779 350887829 /nfs/dbraw/zinc/88/78/29/350887829.db2.gz HGSCJJYRAVUXNK-AEJSXWLSSA-N 1 2 211.309 1.181 20 30 BDEDLO CC(C)c1nc(N(C)C)nc(NCCCC#N)[nH+]1 ZINC000273274124 351514497 /nfs/dbraw/zinc/51/44/97/351514497.db2.gz CDIQBGVOJCTFAA-UHFFFAOYSA-N 1 2 248.334 1.777 20 30 BDEDLO CC(C)c1nc(NCCCC#N)nc(N(C)C)[nH+]1 ZINC000273274124 351514500 /nfs/dbraw/zinc/51/45/00/351514500.db2.gz CDIQBGVOJCTFAA-UHFFFAOYSA-N 1 2 248.334 1.777 20 30 BDEDLO COc1cccc(/C=[NH+]/CCC(C)(C)O)c1O ZINC000274762013 351580569 /nfs/dbraw/zinc/58/05/69/351580569.db2.gz INCOXCXYKKSBSN-NTEUORMPSA-N 1 2 237.299 1.981 20 30 BDEDLO N#CCC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278335274 351757814 /nfs/dbraw/zinc/75/78/14/351757814.db2.gz OXDGOWDHENKFBR-UHFFFAOYSA-N 1 2 249.289 1.978 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577855397 366081597 /nfs/dbraw/zinc/08/15/97/366081597.db2.gz PAZGUQFIRZIBGO-WDEREUQCSA-N 1 2 234.303 1.452 20 30 BDEDLO CC#CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000336540127 351929340 /nfs/dbraw/zinc/92/93/40/351929340.db2.gz NDQLLTFSQJWVRF-UHFFFAOYSA-N 1 2 242.282 1.788 20 30 BDEDLO NC(=[NH+]OC/C(Cl)=C/Cl)[C@H]1CCCO1 ZINC000284388005 351996606 /nfs/dbraw/zinc/99/66/06/351996606.db2.gz MKPJRPSEMMENCL-FXXDRWHHSA-N 1 2 239.102 1.773 20 30 BDEDLO NC(=[NH+]OCc1ccccn1)[C@@H]1CCCO1 ZINC000284477291 351997643 /nfs/dbraw/zinc/99/76/43/351997643.db2.gz RONMKTHKYNXXOD-JTQLQIEISA-N 1 2 221.260 1.049 20 30 BDEDLO C#CCCNc1nc(NCCC#C)c(OC)c[nH+]1 ZINC000287340748 352122777 /nfs/dbraw/zinc/12/27/77/352122777.db2.gz MZEIENYBYHXAGS-UHFFFAOYSA-N 1 2 244.298 1.356 20 30 BDEDLO C=CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000291865602 352292380 /nfs/dbraw/zinc/29/23/80/352292380.db2.gz KOYYPWSRKDVZCP-UHFFFAOYSA-N 1 2 226.301 1.790 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000292074428 352300774 /nfs/dbraw/zinc/30/07/74/352300774.db2.gz CYKJQQJKFCVPPA-LBPRGKRZSA-N 1 2 248.326 1.874 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000292074428 352300778 /nfs/dbraw/zinc/30/07/78/352300778.db2.gz CYKJQQJKFCVPPA-LBPRGKRZSA-N 1 2 248.326 1.874 20 30 BDEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(N)=O)cc1 ZINC000292094665 352301886 /nfs/dbraw/zinc/30/18/86/352301886.db2.gz FUUYAKVXBXUVGS-UHFFFAOYSA-N 1 2 243.310 1.687 20 30 BDEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(N)=O)cc1 ZINC000292094665 352301888 /nfs/dbraw/zinc/30/18/88/352301888.db2.gz FUUYAKVXBXUVGS-UHFFFAOYSA-N 1 2 243.310 1.687 20 30 BDEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)ncn1 ZINC000292519521 352322985 /nfs/dbraw/zinc/32/29/85/352322985.db2.gz OBVKSQIGVVFXKN-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)ncn1 ZINC000292519521 352322989 /nfs/dbraw/zinc/32/29/89/352322989.db2.gz OBVKSQIGVVFXKN-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000411772061 191209831 /nfs/dbraw/zinc/20/98/31/191209831.db2.gz PWEIMEMHUSWOGM-CYBMUJFWSA-N 1 2 244.338 1.993 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000411772061 191209833 /nfs/dbraw/zinc/20/98/33/191209833.db2.gz PWEIMEMHUSWOGM-CYBMUJFWSA-N 1 2 244.338 1.993 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000334332522 352969636 /nfs/dbraw/zinc/96/96/36/352969636.db2.gz QWNISWFZCQUGPA-LLVKDONJSA-N 1 2 242.282 1.612 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000160108253 353138511 /nfs/dbraw/zinc/13/85/11/353138511.db2.gz IOASFEVWWDESLS-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000160108253 353138513 /nfs/dbraw/zinc/13/85/13/353138513.db2.gz IOASFEVWWDESLS-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO N#Cc1ncn(Cc2c[nH+]c3ccccn23)c1C#N ZINC000125939125 188085757 /nfs/dbraw/zinc/08/57/57/188085757.db2.gz OVYHVYONXJKWNB-UHFFFAOYSA-N 1 2 248.249 1.322 20 30 BDEDLO C#CCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000270470706 188089357 /nfs/dbraw/zinc/08/93/57/188089357.db2.gz BYBZMRHAFUFONF-CYBMUJFWSA-N 1 2 228.295 1.183 20 30 BDEDLO C#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000270470706 188089359 /nfs/dbraw/zinc/08/93/59/188089359.db2.gz BYBZMRHAFUFONF-CYBMUJFWSA-N 1 2 228.295 1.183 20 30 BDEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000329535255 538109231 /nfs/dbraw/zinc/10/92/31/538109231.db2.gz ZDXCAUINLJNQEY-JOYOIKCWSA-N 1 2 237.303 1.866 20 30 BDEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000329535255 538109232 /nfs/dbraw/zinc/10/92/32/538109232.db2.gz ZDXCAUINLJNQEY-JOYOIKCWSA-N 1 2 237.303 1.866 20 30 BDEDLO C#CC[N@@H+](Cc1ccoc1C(=O)OC)C1CC1 ZINC000274147106 188091748 /nfs/dbraw/zinc/09/17/48/188091748.db2.gz KLRFORCIGNBHRE-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO C#CC[N@H+](Cc1ccoc1C(=O)OC)C1CC1 ZINC000274147106 188091750 /nfs/dbraw/zinc/09/17/50/188091750.db2.gz KLRFORCIGNBHRE-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1nccs1)C1CC1 ZINC000274116421 188092062 /nfs/dbraw/zinc/09/20/62/188092062.db2.gz GFVCRZJUSWIGBS-UHFFFAOYSA-N 1 2 235.312 1.179 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1nccs1)C1CC1 ZINC000274116421 188092064 /nfs/dbraw/zinc/09/20/64/188092064.db2.gz GFVCRZJUSWIGBS-UHFFFAOYSA-N 1 2 235.312 1.179 20 30 BDEDLO CC#CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000276017113 188093759 /nfs/dbraw/zinc/09/37/59/188093759.db2.gz JVUKYBOFVIAVHS-UHFFFAOYSA-N 1 2 217.272 1.843 20 30 BDEDLO C=C1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000276855914 188094272 /nfs/dbraw/zinc/09/42/72/188094272.db2.gz VROOSNPMAZTQDM-SNVBAGLBSA-N 1 2 233.319 1.721 20 30 BDEDLO C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000329528669 538109111 /nfs/dbraw/zinc/10/91/11/538109111.db2.gz IEDVKWFCLTZLEF-NSHDSACASA-N 1 2 223.276 1.478 20 30 BDEDLO C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000329528669 538109112 /nfs/dbraw/zinc/10/91/12/538109112.db2.gz IEDVKWFCLTZLEF-NSHDSACASA-N 1 2 223.276 1.478 20 30 BDEDLO C=CC[C@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265273169 188087428 /nfs/dbraw/zinc/08/74/28/188087428.db2.gz GKNMNQWXIBFFLX-WDEREUQCSA-N 1 2 236.319 1.535 20 30 BDEDLO C=CCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000267347741 188088183 /nfs/dbraw/zinc/08/81/83/188088183.db2.gz ULYPBXPBMWSQPU-GFCCVEGCSA-N 1 2 235.331 1.992 20 30 BDEDLO COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000330833825 353184697 /nfs/dbraw/zinc/18/46/97/353184697.db2.gz KQMSIIPEZLULEA-ZWNOBZJWSA-N 1 2 231.299 1.872 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330886599 353191834 /nfs/dbraw/zinc/19/18/34/353191834.db2.gz RVJZEMSFHKVLTC-GHMZBOCLSA-N 1 2 246.314 1.254 20 30 BDEDLO CC[C@@H](C#N)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330940388 353202113 /nfs/dbraw/zinc/20/21/13/353202113.db2.gz CIHKJESQWGBXTG-QMMMGPOBSA-N 1 2 220.276 1.106 20 30 BDEDLO C[C@H](CC#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330952128 353203144 /nfs/dbraw/zinc/20/31/44/353203144.db2.gz KXODZFSXVFHPKQ-BDAKNGLRSA-N 1 2 232.287 1.248 20 30 BDEDLO C[C@H](CC#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330952128 353203145 /nfs/dbraw/zinc/20/31/45/353203145.db2.gz KXODZFSXVFHPKQ-BDAKNGLRSA-N 1 2 232.287 1.248 20 30 BDEDLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](C)O ZINC000331360984 353246793 /nfs/dbraw/zinc/24/67/93/353246793.db2.gz YMFSVMFPKGIKRI-XPUUQOCRSA-N 1 2 211.265 1.182 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](O)c1c(F)cccc1F ZINC000076185626 353332132 /nfs/dbraw/zinc/33/21/32/353332132.db2.gz WBEYDTGJAMDCSN-ZDUSSCGKSA-N 1 2 249.260 1.567 20 30 BDEDLO C=CC[N@@H+](Cc1nccc(N)n1)C1CC1 ZINC000336772290 353319975 /nfs/dbraw/zinc/31/99/75/353319975.db2.gz YAZHLKQBZLPJGO-UHFFFAOYSA-N 1 2 204.277 1.040 20 30 BDEDLO C=CC[N@H+](Cc1nccc(N)n1)C1CC1 ZINC000336772290 353319976 /nfs/dbraw/zinc/31/99/76/353319976.db2.gz YAZHLKQBZLPJGO-UHFFFAOYSA-N 1 2 204.277 1.040 20 30 BDEDLO COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054825479 353346928 /nfs/dbraw/zinc/34/69/28/353346928.db2.gz GGWQPUOQYLCAOO-ZYHUDNBSSA-N 1 2 231.299 1.872 20 30 BDEDLO C#CC[N@@H+](C)[C@H](CC(C)C)C(=O)OCC ZINC000190308259 353392817 /nfs/dbraw/zinc/39/28/17/353392817.db2.gz VXMVAFBRCOAFPZ-LLVKDONJSA-N 1 2 211.305 1.529 20 30 BDEDLO C#CC[N@H+](C)[C@H](CC(C)C)C(=O)OCC ZINC000190308259 353392819 /nfs/dbraw/zinc/39/28/19/353392819.db2.gz VXMVAFBRCOAFPZ-LLVKDONJSA-N 1 2 211.305 1.529 20 30 BDEDLO C#CC[N@@H+](CCc1ccccc1)CC(=O)OC ZINC000180569080 353399189 /nfs/dbraw/zinc/39/91/89/353399189.db2.gz ODPFDINASJONCH-UHFFFAOYSA-N 1 2 231.295 1.337 20 30 BDEDLO C#CC[N@H+](CCc1ccccc1)CC(=O)OC ZINC000180569080 353399192 /nfs/dbraw/zinc/39/91/92/353399192.db2.gz ODPFDINASJONCH-UHFFFAOYSA-N 1 2 231.295 1.337 20 30 BDEDLO CC#CC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191172432 353442062 /nfs/dbraw/zinc/44/20/62/353442062.db2.gz YWGHUBLLCFNTMS-LBPRGKRZSA-N 1 2 235.356 1.533 20 30 BDEDLO CC#CC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191172432 353442064 /nfs/dbraw/zinc/44/20/64/353442064.db2.gz YWGHUBLLCFNTMS-LBPRGKRZSA-N 1 2 235.356 1.533 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000281353300 353435894 /nfs/dbraw/zinc/43/58/94/353435894.db2.gz KKJMLIRVRXUYOJ-JQWIXIFHSA-N 1 2 249.314 1.429 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)C/C=C/Cl)C1=O ZINC000281356630 353435908 /nfs/dbraw/zinc/43/59/08/353435908.db2.gz NNXZEOFKFJKDBQ-DFVUYQKZSA-N 1 2 228.723 1.458 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)C/C=C/Cl)C1=O ZINC000281356630 353435910 /nfs/dbraw/zinc/43/59/10/353435910.db2.gz NNXZEOFKFJKDBQ-DFVUYQKZSA-N 1 2 228.723 1.458 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000060462890 353470529 /nfs/dbraw/zinc/47/05/29/353470529.db2.gz BQJWBQJBXOHGJF-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000060462890 353470531 /nfs/dbraw/zinc/47/05/31/353470531.db2.gz BQJWBQJBXOHGJF-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285685457 353539149 /nfs/dbraw/zinc/53/91/49/353539149.db2.gz OCRPIOVBISHEPV-JTQLQIEISA-N 1 2 205.261 1.538 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285685457 353539151 /nfs/dbraw/zinc/53/91/51/353539151.db2.gz OCRPIOVBISHEPV-JTQLQIEISA-N 1 2 205.261 1.538 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCC1)Cc1ccccc1 ZINC000285464670 353543840 /nfs/dbraw/zinc/54/38/40/353543840.db2.gz AWDSLKZPIPCMPC-UHFFFAOYSA-N 1 2 242.322 1.354 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCC1)Cc1ccccc1 ZINC000285464670 353543843 /nfs/dbraw/zinc/54/38/43/353543843.db2.gz AWDSLKZPIPCMPC-UHFFFAOYSA-N 1 2 242.322 1.354 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)[C@@H](C)C(=O)OCCC ZINC000286134813 353557514 /nfs/dbraw/zinc/55/75/14/353557514.db2.gz MVHKVNFAURBQPK-JTQLQIEISA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC(C)(C)[N@H+](C)[C@@H](C)C(=O)OCCC ZINC000286134813 353557517 /nfs/dbraw/zinc/55/75/17/353557517.db2.gz MVHKVNFAURBQPK-JTQLQIEISA-N 1 2 211.305 1.672 20 30 BDEDLO C#CCCCC(=O)OCc1c[nH+]ccc1OC ZINC000287026023 353568514 /nfs/dbraw/zinc/56/85/14/353568514.db2.gz RLJRLDDSXGKBLI-UHFFFAOYSA-N 1 2 233.267 1.937 20 30 BDEDLO Cn1cnnc1C[N@H+](C)CCC(C)(C)C#N ZINC000287130481 353572267 /nfs/dbraw/zinc/57/22/67/353572267.db2.gz ZULJORFLTVYGIV-UHFFFAOYSA-N 1 2 221.308 1.187 20 30 BDEDLO Cn1cnnc1C[N@@H+](C)CCC(C)(C)C#N ZINC000287130481 353572272 /nfs/dbraw/zinc/57/22/72/353572272.db2.gz ZULJORFLTVYGIV-UHFFFAOYSA-N 1 2 221.308 1.187 20 30 BDEDLO C=CCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000289364452 353627168 /nfs/dbraw/zinc/62/71/68/353627168.db2.gz ITUBNAVJWLZWMB-LLVKDONJSA-N 1 2 242.388 1.458 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000293098624 353733263 /nfs/dbraw/zinc/73/32/63/353733263.db2.gz KWJYWWIIAJNBKK-UHFFFAOYSA-N 1 2 247.323 1.513 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000293098624 353733266 /nfs/dbraw/zinc/73/32/66/353733266.db2.gz KWJYWWIIAJNBKK-UHFFFAOYSA-N 1 2 247.323 1.513 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000292903927 353728400 /nfs/dbraw/zinc/72/84/00/353728400.db2.gz AOLYELXITSYWSJ-JTQLQIEISA-N 1 2 235.287 1.265 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000293665410 353760078 /nfs/dbraw/zinc/76/00/78/353760078.db2.gz ZARWGDVXIFQXRY-VIFPVBQESA-N 1 2 243.257 1.599 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1c[nH+]ccc1OC ZINC000295416679 353805821 /nfs/dbraw/zinc/80/58/21/353805821.db2.gz UULJDYPITIDCBQ-UHFFFAOYSA-N 1 2 234.299 1.919 20 30 BDEDLO C=CC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000294957907 353793838 /nfs/dbraw/zinc/79/38/38/353793838.db2.gz YWKZCSXCXIVXTD-CMPLNLGQSA-N 1 2 243.314 1.843 20 30 BDEDLO CC#CCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000185889026 353859251 /nfs/dbraw/zinc/85/92/51/353859251.db2.gz NXOHNWNGBPTSFW-UHFFFAOYSA-N 1 2 247.342 1.925 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C(=O)OC ZINC000301011554 363294077 /nfs/dbraw/zinc/29/40/77/363294077.db2.gz GHUUKRKKZFPNRL-MXWKQRLJSA-N 1 2 211.305 1.740 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CC[C@H](C)C1)C(=O)OC ZINC000301011553 363294282 /nfs/dbraw/zinc/29/42/82/363294282.db2.gz GHUUKRKKZFPNRL-DCAQKATOSA-N 1 2 211.305 1.740 20 30 BDEDLO Cc1cc(C[NH+]2CCN(CCC#N)CC2)on1 ZINC000053456103 363300047 /nfs/dbraw/zinc/30/00/47/363300047.db2.gz SLLZDGSSSKYKFJ-UHFFFAOYSA-N 1 2 234.303 1.014 20 30 BDEDLO Cc1cc(CN2CC[NH+](CCCC#N)CC2)on1 ZINC000053456623 363301658 /nfs/dbraw/zinc/30/16/58/363301658.db2.gz PFRRCEDUSWBUFL-UHFFFAOYSA-N 1 2 248.330 1.404 20 30 BDEDLO Cc1cc(C[NH+]2CCN(CCCC#N)CC2)on1 ZINC000053456623 363301665 /nfs/dbraw/zinc/30/16/65/363301665.db2.gz PFRRCEDUSWBUFL-UHFFFAOYSA-N 1 2 248.330 1.404 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000301019327 363296895 /nfs/dbraw/zinc/29/68/95/363296895.db2.gz JJXCNYCBUZJZHW-OPRDCNLKSA-N 1 2 229.345 1.540 20 30 BDEDLO C=C[C@@H]([NH2+]CC(C)(C)CCOC)C(=O)OC ZINC000301021256 363333464 /nfs/dbraw/zinc/33/34/64/363333464.db2.gz KIKDZXZILLGHGB-SNVBAGLBSA-N 1 2 229.320 1.366 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1CCSC1)C(=O)OC ZINC000301043575 363370244 /nfs/dbraw/zinc/37/02/44/363370244.db2.gz LOUVSADQPVZGCD-DTWKUNHWSA-N 1 2 215.318 1.057 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)o1 ZINC000187541562 181105294 /nfs/dbraw/zinc/10/52/94/181105294.db2.gz XAMIDTAMYSPECD-CYBMUJFWSA-N 1 2 248.282 1.143 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)o1 ZINC000187541562 181105297 /nfs/dbraw/zinc/10/52/97/181105297.db2.gz XAMIDTAMYSPECD-CYBMUJFWSA-N 1 2 248.282 1.143 20 30 BDEDLO N#CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000334641618 354397053 /nfs/dbraw/zinc/39/70/53/354397053.db2.gz DATJQFFULJBPNA-UHFFFAOYSA-N 1 2 220.316 1.287 20 30 BDEDLO N#Cc1ccc(NCCn2cc[nH+]c2)cc1 ZINC000041042096 181122764 /nfs/dbraw/zinc/12/27/64/181122764.db2.gz XLKFNXDDVYZUQL-UHFFFAOYSA-N 1 2 212.256 1.867 20 30 BDEDLO C[C@H](CS(C)(=O)=O)[N@H+](CCCC#N)C1CC1 ZINC000113261322 354386372 /nfs/dbraw/zinc/38/63/72/354386372.db2.gz BKRKVHFGXMOAJS-SNVBAGLBSA-N 1 2 244.360 1.188 20 30 BDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCCC#N)C1CC1 ZINC000113261322 354386374 /nfs/dbraw/zinc/38/63/74/354386374.db2.gz BKRKVHFGXMOAJS-SNVBAGLBSA-N 1 2 244.360 1.188 20 30 BDEDLO C=C(C)CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334692392 354482469 /nfs/dbraw/zinc/48/24/69/354482469.db2.gz WSKCCQDTIOKVHJ-VHSXEESVSA-N 1 2 234.303 1.764 20 30 BDEDLO N#Cc1cccc(OCCOCc2[nH]cc[nH+]2)c1 ZINC000123747633 181143236 /nfs/dbraw/zinc/14/32/36/181143236.db2.gz LTUFGJAMVUVTEL-UHFFFAOYSA-N 1 2 243.266 1.877 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCC)CC1 ZINC000301046040 363374091 /nfs/dbraw/zinc/37/40/91/363374091.db2.gz OHVLWQXBHOSQQK-NSHDSACASA-N 1 2 227.304 1.215 20 30 BDEDLO N#Cc1cccnc1NCc1ccc(N)[nH+]c1 ZINC000302784488 181152997 /nfs/dbraw/zinc/15/29/97/181152997.db2.gz UVDGSPSPCYXNSS-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO C=C[C@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000301053449 363396456 /nfs/dbraw/zinc/39/64/56/363396456.db2.gz YFHOJOVLNLYIJR-QMMMGPOBSA-N 1 2 215.318 1.199 20 30 BDEDLO C=C(C)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335801755 355470727 /nfs/dbraw/zinc/47/07/27/355470727.db2.gz RRNZGKMXGPLPDI-NSHDSACASA-N 1 2 248.330 1.495 20 30 BDEDLO C[C@H](CO)C[N@H+](CCC#N)Cc1ccco1 ZINC000121123222 355615625 /nfs/dbraw/zinc/61/56/25/355615625.db2.gz ZDRBCGQSNMYBSF-NSHDSACASA-N 1 2 222.288 1.624 20 30 BDEDLO C[C@H](CO)C[N@@H+](CCC#N)Cc1ccco1 ZINC000121123222 355615626 /nfs/dbraw/zinc/61/56/26/355615626.db2.gz ZDRBCGQSNMYBSF-NSHDSACASA-N 1 2 222.288 1.624 20 30 BDEDLO Cc1nnc(NC(=O)CCc2c[nH+]c[nH]2)n1C ZINC000329510395 355926716 /nfs/dbraw/zinc/92/67/16/355926716.db2.gz MRRXWXVZYPINQR-UHFFFAOYSA-N 1 2 234.263 1.067 20 30 BDEDLO Cc1nnc(NC(=O)CCc2c[nH]c[nH+]2)n1C ZINC000329510395 355926719 /nfs/dbraw/zinc/92/67/19/355926719.db2.gz MRRXWXVZYPINQR-UHFFFAOYSA-N 1 2 234.263 1.067 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1CCn2ccnc2C1 ZINC000351564420 356018532 /nfs/dbraw/zinc/01/85/32/356018532.db2.gz SRTWLUIJSFZMTO-NSHDSACASA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1CCn2ccnc2C1 ZINC000351564420 356018537 /nfs/dbraw/zinc/01/85/37/356018537.db2.gz SRTWLUIJSFZMTO-NSHDSACASA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000351564420 356018541 /nfs/dbraw/zinc/01/85/41/356018541.db2.gz SRTWLUIJSFZMTO-NSHDSACASA-N 1 2 221.304 1.026 20 30 BDEDLO Cc1ncsc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329929588 356146061 /nfs/dbraw/zinc/14/60/61/356146061.db2.gz NQRRDPGPXQMIAD-QMMMGPOBSA-N 1 2 241.316 1.370 20 30 BDEDLO Cc1ncsc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329929588 356146065 /nfs/dbraw/zinc/14/60/65/356146065.db2.gz NQRRDPGPXQMIAD-QMMMGPOBSA-N 1 2 241.316 1.370 20 30 BDEDLO C=CCC(CC=C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264685 356236499 /nfs/dbraw/zinc/23/64/99/356236499.db2.gz QLZRPKHNBWGNST-GFCCVEGCSA-N 1 2 245.326 1.692 20 30 BDEDLO Cc1ccc(C[NH+]2CC(O)(CC#N)C2)cc1C ZINC000190038680 356430727 /nfs/dbraw/zinc/43/07/27/356430727.db2.gz NWOKPJGCWVQFCE-UHFFFAOYSA-N 1 2 230.311 1.764 20 30 BDEDLO CC(C)[C@@H](Nc1cncc(C#N)n1)c1[nH]cc[nH+]1 ZINC000420626503 192251144 /nfs/dbraw/zinc/25/11/44/192251144.db2.gz MNQZQPPNTOZMPZ-LLVKDONJSA-N 1 2 242.286 1.881 20 30 BDEDLO CC(C)[C@H](Nc1cncc(C#N)n1)c1[nH]cc[nH+]1 ZINC000420626506 192251470 /nfs/dbraw/zinc/25/14/70/192251470.db2.gz MNQZQPPNTOZMPZ-NSHDSACASA-N 1 2 242.286 1.881 20 30 BDEDLO C=CCCOCC[NH2+][C@@H](CC)C(=O)OC ZINC000192861061 356467583 /nfs/dbraw/zinc/46/75/83/356467583.db2.gz GPKSYWNFVZRKDP-JTQLQIEISA-N 1 2 215.293 1.120 20 30 BDEDLO C=CCNC(=O)C[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000420955769 192279340 /nfs/dbraw/zinc/27/93/40/192279340.db2.gz MEJBXPDCPZZABQ-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000088256887 356640174 /nfs/dbraw/zinc/64/01/74/356640174.db2.gz HPXRFYHTQHCQGV-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO CCOC(=O)[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000088256887 356640177 /nfs/dbraw/zinc/64/01/77/356640177.db2.gz HPXRFYHTQHCQGV-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO CC[C@H]1C[N@H+](CC2(C#N)CC2)C[C@@H](C)O1 ZINC000336619233 134151458 /nfs/dbraw/zinc/15/14/58/134151458.db2.gz GWILJSVRVONRPB-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@@H](C)O1 ZINC000336619233 134151459 /nfs/dbraw/zinc/15/14/59/134151459.db2.gz GWILJSVRVONRPB-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO Cc1nnc(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000399392394 356658413 /nfs/dbraw/zinc/65/84/13/356658413.db2.gz OKYZYFPBQPVYKL-UHFFFAOYSA-N 1 2 245.311 1.456 20 30 BDEDLO Cn1ccc(C[N@H+](CC#N)C2CCCC2)cc1=O ZINC000610003264 356689235 /nfs/dbraw/zinc/68/92/35/356689235.db2.gz VSUUEFNATBDGJG-UHFFFAOYSA-N 1 2 245.326 1.653 20 30 BDEDLO Cn1ccc(C[N@@H+](CC#N)C2CCCC2)cc1=O ZINC000610003264 356689237 /nfs/dbraw/zinc/68/92/37/356689237.db2.gz VSUUEFNATBDGJG-UHFFFAOYSA-N 1 2 245.326 1.653 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302886842 134158275 /nfs/dbraw/zinc/15/82/75/134158275.db2.gz LQWKQBGAVIADJB-SNVBAGLBSA-N 1 2 234.303 1.300 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302886842 134158276 /nfs/dbraw/zinc/15/82/76/134158276.db2.gz LQWKQBGAVIADJB-SNVBAGLBSA-N 1 2 234.303 1.300 20 30 BDEDLO Cc1cnn(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000354017327 134165821 /nfs/dbraw/zinc/16/58/21/134165821.db2.gz JHMADXHQJNGRCV-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000354017327 134165822 /nfs/dbraw/zinc/16/58/22/134165822.db2.gz JHMADXHQJNGRCV-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000034416518 356702467 /nfs/dbraw/zinc/70/24/67/356702467.db2.gz QQYCTWSOEGLNGE-UHFFFAOYSA-N 1 2 228.295 1.078 20 30 BDEDLO C[N@H+](Cc1cccc(C(N)=O)c1)CC(C)(C)C#N ZINC000354010306 134165897 /nfs/dbraw/zinc/16/58/97/134165897.db2.gz MYBSONYBVJPDNW-UHFFFAOYSA-N 1 2 245.326 1.767 20 30 BDEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)CC(C)(C)C#N ZINC000354010306 134165898 /nfs/dbraw/zinc/16/58/98/134165898.db2.gz MYBSONYBVJPDNW-UHFFFAOYSA-N 1 2 245.326 1.767 20 30 BDEDLO C[C@H](C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000357795097 134185088 /nfs/dbraw/zinc/18/50/88/134185088.db2.gz JCVVDMVGTSENMO-SNVBAGLBSA-N 1 2 242.282 1.153 20 30 BDEDLO C=CC[N@@H+](Cc1cc(C)n(C)n1)C1CC1 ZINC000357554624 134183808 /nfs/dbraw/zinc/18/38/08/134183808.db2.gz RINFQLFQVYRPRZ-UHFFFAOYSA-N 1 2 205.305 1.879 20 30 BDEDLO C=CC[N@H+](Cc1cc(C)n(C)n1)C1CC1 ZINC000357554624 134183809 /nfs/dbraw/zinc/18/38/09/134183809.db2.gz RINFQLFQVYRPRZ-UHFFFAOYSA-N 1 2 205.305 1.879 20 30 BDEDLO Cc1ccc(C[NH2+]CC2(C#N)CC2)nc1 ZINC000389909175 357063490 /nfs/dbraw/zinc/06/34/90/357063490.db2.gz IIGQMIMFUFMOQF-UHFFFAOYSA-N 1 2 201.273 1.783 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCO1 ZINC000328926387 357170530 /nfs/dbraw/zinc/17/05/30/357170530.db2.gz FFTAYJWPJWZFPG-VIFPVBQESA-N 1 2 209.249 1.354 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015797 357270973 /nfs/dbraw/zinc/27/09/73/357270973.db2.gz IUFVOLFPVYOOSX-VIFPVBQESA-N 1 2 219.244 1.987 20 30 BDEDLO Cc1[nH]c(C(=O)NCC(C)(C)CCC#N)c[nH+]1 ZINC000359770644 134197120 /nfs/dbraw/zinc/19/71/20/134197120.db2.gz GNVWPNPMYCMWSW-UHFFFAOYSA-N 1 2 234.303 1.778 20 30 BDEDLO C[C@H](CC#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582789828 357395801 /nfs/dbraw/zinc/39/58/01/357395801.db2.gz LTPWCEIOGDOHBH-NXEZZACHSA-N 1 2 220.276 1.253 20 30 BDEDLO CCn1ncnc1C[NH+]1CCC(CC#N)CC1 ZINC000397204039 357506673 /nfs/dbraw/zinc/50/66/73/357506673.db2.gz YCEHQOPWTAEJEZ-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC#N)n1 ZINC000368687447 134220123 /nfs/dbraw/zinc/22/01/23/134220123.db2.gz CACFIKSWNMJXQY-GFCCVEGCSA-N 1 2 233.319 1.273 20 30 BDEDLO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCC#N)n1 ZINC000368687447 134220124 /nfs/dbraw/zinc/22/01/24/134220124.db2.gz CACFIKSWNMJXQY-GFCCVEGCSA-N 1 2 233.319 1.273 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)C[C@]2(CCOC2)O1 ZINC000369867058 134223409 /nfs/dbraw/zinc/22/34/09/134223409.db2.gz FZJAKFAOZZAEPH-LBPRGKRZSA-N 1 2 224.304 1.170 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)C[C@]2(CCOC2)O1 ZINC000369867058 134223410 /nfs/dbraw/zinc/22/34/10/134223410.db2.gz FZJAKFAOZZAEPH-LBPRGKRZSA-N 1 2 224.304 1.170 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370021534 134224119 /nfs/dbraw/zinc/22/41/19/134224119.db2.gz QTXUNBDFPFSWNR-LLVKDONJSA-N 1 2 233.315 1.480 20 30 BDEDLO COC(=O)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000120993212 134230858 /nfs/dbraw/zinc/23/08/58/134230858.db2.gz DFIZCWYYTRPBEW-LLVKDONJSA-N 1 2 249.314 1.315 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000610489111 357953628 /nfs/dbraw/zinc/95/36/28/357953628.db2.gz DOVXVGHNRFZCCV-LLVKDONJSA-N 1 2 237.347 1.669 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000610489114 357953636 /nfs/dbraw/zinc/95/36/36/357953636.db2.gz DOVXVGHNRFZCCV-NSHDSACASA-N 1 2 237.347 1.669 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584473313 357990486 /nfs/dbraw/zinc/99/04/86/357990486.db2.gz XRKBEAJMNOWAJE-QWRGUYRKSA-N 1 2 234.303 1.499 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000584510472 358012438 /nfs/dbraw/zinc/01/24/38/358012438.db2.gz BZRRAAGXKACDHF-YPMHNXCESA-N 1 2 246.310 1.650 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000639970562 358023315 /nfs/dbraw/zinc/02/33/15/358023315.db2.gz QHENKOUYUOZDJC-GFCCVEGCSA-N 1 2 223.320 1.477 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000639970562 358023320 /nfs/dbraw/zinc/02/33/20/358023320.db2.gz QHENKOUYUOZDJC-GFCCVEGCSA-N 1 2 223.320 1.477 20 30 BDEDLO C[C@@H](CC(=O)Nc1n[nH]cc1C#N)n1cc[nH+]c1 ZINC000610620356 358028611 /nfs/dbraw/zinc/02/86/11/358028611.db2.gz RRDOWUXIMWYSKH-QMMMGPOBSA-N 1 2 244.258 1.068 20 30 BDEDLO CC[C@@H](C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068325921 535393574 /nfs/dbraw/zinc/39/35/74/535393574.db2.gz ITLYTPCRIHMDTC-JTQLQIEISA-N 1 2 228.255 1.366 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584628438 358115769 /nfs/dbraw/zinc/11/57/69/358115769.db2.gz PZPIDNRPNGZRFW-QWRGUYRKSA-N 1 2 234.303 1.595 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000450758807 202260023 /nfs/dbraw/zinc/26/00/23/202260023.db2.gz OMYZPDGPISRDFW-ZJUUUORDSA-N 1 2 205.261 1.540 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000042323924 358521849 /nfs/dbraw/zinc/52/18/49/358521849.db2.gz KKOMNXLMLRVRTL-LLVKDONJSA-N 1 2 225.336 1.336 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000042323924 358521853 /nfs/dbraw/zinc/52/18/53/358521853.db2.gz KKOMNXLMLRVRTL-LLVKDONJSA-N 1 2 225.336 1.336 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000611008913 358430827 /nfs/dbraw/zinc/43/08/27/358430827.db2.gz NQWGWLLPDILKCQ-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000611008913 358430830 /nfs/dbraw/zinc/43/08/30/358430830.db2.gz NQWGWLLPDILKCQ-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO CCNC(=O)C[N@H+](CCC#N)CC(CC)CC ZINC000177032717 134293857 /nfs/dbraw/zinc/29/38/57/134293857.db2.gz HSVZAINUEKSBCP-UHFFFAOYSA-N 1 2 239.363 1.774 20 30 BDEDLO CCNC(=O)C[N@@H+](CCC#N)CC(CC)CC ZINC000177032717 134293858 /nfs/dbraw/zinc/29/38/58/134293858.db2.gz HSVZAINUEKSBCP-UHFFFAOYSA-N 1 2 239.363 1.774 20 30 BDEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@H](C)CO ZINC000354449971 359032825 /nfs/dbraw/zinc/03/28/25/359032825.db2.gz QXIHJBKCHPMPHF-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)CO ZINC000354449971 359032830 /nfs/dbraw/zinc/03/28/30/359032830.db2.gz QXIHJBKCHPMPHF-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=CCC2)c1 ZINC000611517450 359387358 /nfs/dbraw/zinc/38/73/58/359387358.db2.gz CNSNFAAEJFZZDL-UHFFFAOYSA-N 1 2 241.294 1.759 20 30 BDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=CCC2)c1 ZINC000611517450 359387361 /nfs/dbraw/zinc/38/73/61/359387361.db2.gz CNSNFAAEJFZZDL-UHFFFAOYSA-N 1 2 241.294 1.759 20 30 BDEDLO C=C[C@@](C)(O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063127 359629882 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C=C(C)C[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915607 360750469 /nfs/dbraw/zinc/75/04/69/360750469.db2.gz SSDWBEBBCRQLAU-RYUDHWBXSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000064443107 360933503 /nfs/dbraw/zinc/93/35/03/360933503.db2.gz UNMNNJWHFOLCSS-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO CC[N@@H+](Cc1cc(C)no1)C[C@@H](C)C#N ZINC000066424277 361236659 /nfs/dbraw/zinc/23/66/59/361236659.db2.gz GVXNWPIEUSFKEZ-VIFPVBQESA-N 1 2 207.277 1.965 20 30 BDEDLO CC[N@H+](Cc1cc(C)no1)C[C@@H](C)C#N ZINC000066424277 361236667 /nfs/dbraw/zinc/23/66/67/361236667.db2.gz GVXNWPIEUSFKEZ-VIFPVBQESA-N 1 2 207.277 1.965 20 30 BDEDLO CC(C)n1cncc1C[NH2+]CC1(C#N)CC1 ZINC000579229883 366739635 /nfs/dbraw/zinc/73/96/35/366739635.db2.gz CZIUAKUCIKSZAE-UHFFFAOYSA-N 1 2 218.304 1.857 20 30 BDEDLO CC(C)n1c[nH+]cc1CNCC1(C#N)CC1 ZINC000579229883 366739641 /nfs/dbraw/zinc/73/96/41/366739641.db2.gz CZIUAKUCIKSZAE-UHFFFAOYSA-N 1 2 218.304 1.857 20 30 BDEDLO 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C[C@@H](C[N@@H+](C)CC(C)(C)C#N)CS(C)(=O)=O ZINC000433299039 201177020 /nfs/dbraw/zinc/17/70/20/201177020.db2.gz PVKGIKUVTPKTLO-JTQLQIEISA-N 1 2 246.376 1.149 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000613239897 361706401 /nfs/dbraw/zinc/70/64/01/361706401.db2.gz YDXVFNUIBRHURH-JTQLQIEISA-N 1 2 245.326 1.692 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000613239897 361706404 /nfs/dbraw/zinc/70/64/04/361706404.db2.gz YDXVFNUIBRHURH-JTQLQIEISA-N 1 2 245.326 1.692 20 30 BDEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(CCC#N)CC1 ZINC000573681402 364891126 /nfs/dbraw/zinc/89/11/26/364891126.db2.gz ZHLKLYAFUNILTE-JTQLQIEISA-N 1 2 248.334 1.287 20 30 BDEDLO CCC[C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573971779 364957642 /nfs/dbraw/zinc/95/76/42/364957642.db2.gz CGPIBMAVHOWMGB-AAEUAGOBSA-N 1 2 239.363 1.773 20 30 BDEDLO C=CCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000574053363 364978731 /nfs/dbraw/zinc/97/87/31/364978731.db2.gz NVCQFAMUMKPUIY-SNVBAGLBSA-N 1 2 221.304 1.671 20 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COC[C@H](C)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615652092 368193653 /nfs/dbraw/zinc/19/36/53/368193653.db2.gz XCORZQNCYIGCBB-NXEZZACHSA-N 1 2 200.257 1.206 20 30 BDEDLO CC(C)n1cc[nH+]c1CN1CC[C@@](F)(C#N)C1 ZINC000615638512 368179883 /nfs/dbraw/zinc/17/98/83/368179883.db2.gz HOABAMKMUKDAHV-GFCCVEGCSA-N 1 2 236.294 1.902 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615742262 368231665 /nfs/dbraw/zinc/23/16/65/368231665.db2.gz STQOKRWQXIPFGC-GXFFZTMASA-N 1 2 246.314 1.254 20 30 BDEDLO C=C(C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000454337901 202811562 /nfs/dbraw/zinc/81/15/62/202811562.db2.gz IRIOKUNCIJNEPX-LLVKDONJSA-N 1 2 236.319 1.537 20 30 BDEDLO CCn1cc[nH+]c1CN(CCC#N)CCOC ZINC000072689403 368561803 /nfs/dbraw/zinc/56/18/03/368561803.db2.gz SETHITIFPRWEKC-UHFFFAOYSA-N 1 2 236.319 1.265 20 30 BDEDLO CC[N@@H+](CC(=O)N(C)CC1CC1)C[C@H](C)C#N ZINC000066424813 368647984 /nfs/dbraw/zinc/64/79/84/368647984.db2.gz GVTJWOMSOFDKRS-LLVKDONJSA-N 1 2 237.347 1.336 20 30 BDEDLO CC[N@H+](CC(=O)N(C)CC1CC1)C[C@H](C)C#N ZINC000066424813 368647989 /nfs/dbraw/zinc/64/79/89/368647989.db2.gz GVTJWOMSOFDKRS-LLVKDONJSA-N 1 2 237.347 1.336 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000618929737 369004655 /nfs/dbraw/zinc/00/46/55/369004655.db2.gz ZCHABSPTYRMYKF-JTQLQIEISA-N 1 2 248.330 1.695 20 30 BDEDLO Cc1[nH]c(C(=O)NCC(C)(C)CC#N)c[nH+]1 ZINC000457991316 203122834 /nfs/dbraw/zinc/12/28/34/203122834.db2.gz JCVOZFBTWUUXEC-UHFFFAOYSA-N 1 2 220.276 1.388 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)CC#N ZINC000459483788 203289412 /nfs/dbraw/zinc/28/94/12/203289412.db2.gz PORKWXJQCAAWQB-UHFFFAOYSA-N 1 2 246.314 1.873 20 30 BDEDLO CCn1cc(C[NH2+]Cc2ccc(C#N)o2)nn1 ZINC000404459727 369429104 /nfs/dbraw/zinc/42/91/04/369429104.db2.gz SJWSQNLXCBYTDW-UHFFFAOYSA-N 1 2 231.259 1.052 20 30 BDEDLO COCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405049311 369443466 /nfs/dbraw/zinc/44/34/66/369443466.db2.gz IQLYQWUOIGDNEI-UHFFFAOYSA-N 1 2 216.284 1.910 20 30 BDEDLO COCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405049311 369443468 /nfs/dbraw/zinc/44/34/68/369443468.db2.gz IQLYQWUOIGDNEI-UHFFFAOYSA-N 1 2 216.284 1.910 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C(=C)C)C(=O)OC ZINC000619704523 369536752 /nfs/dbraw/zinc/53/67/52/369536752.db2.gz PEDBKGSTMNHNKU-SDDRHHMPSA-N 1 2 239.315 1.285 20 30 BDEDLO C=C[C@H](C(=O)OC)N1CCC(n2cc[nH+]c2)CC1 ZINC000619718182 369548922 /nfs/dbraw/zinc/54/89/22/369548922.db2.gz DHKBOOBBEMEQLE-GFCCVEGCSA-N 1 2 249.314 1.248 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000619721814 369553007 /nfs/dbraw/zinc/55/30/07/369553007.db2.gz DLMZYDLQCIIYLC-DGCLKSJQSA-N 1 2 241.331 1.199 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000619721814 369553010 /nfs/dbraw/zinc/55/30/10/369553010.db2.gz DLMZYDLQCIIYLC-DGCLKSJQSA-N 1 2 241.331 1.199 20 30 BDEDLO Cc1cc(C[NH2+]Cc2cccc(C#N)n2)on1 ZINC000602595585 369822408 /nfs/dbraw/zinc/82/24/08/369822408.db2.gz ZLFJBZUHLVAEFR-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO N#Cc1cccc(C[N@H+](C2CC2)C2COC2)n1 ZINC000602669947 369837082 /nfs/dbraw/zinc/83/70/82/369837082.db2.gz BQRIPJUZCMRXQC-UHFFFAOYSA-N 1 2 229.283 1.316 20 30 BDEDLO N#Cc1cccc(C[N@@H+](C2CC2)C2COC2)n1 ZINC000602669947 369837085 /nfs/dbraw/zinc/83/70/85/369837085.db2.gz BQRIPJUZCMRXQC-UHFFFAOYSA-N 1 2 229.283 1.316 20 30 BDEDLO C[C@@H](CC(=O)Nc1c[nH]nc1C#N)n1cc[nH+]c1 ZINC000602359573 369781297 /nfs/dbraw/zinc/78/12/97/369781297.db2.gz QLHQXVZEZFAUJJ-QMMMGPOBSA-N 1 2 244.258 1.068 20 30 BDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602445876 369789701 /nfs/dbraw/zinc/78/97/01/369789701.db2.gz XLHABOCOUVLYSW-MNOVXSKESA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602445876 369789707 /nfs/dbraw/zinc/78/97/07/369789707.db2.gz XLHABOCOUVLYSW-MNOVXSKESA-N 1 2 231.299 1.562 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000623705875 369999412 /nfs/dbraw/zinc/99/94/12/369999412.db2.gz ZJRMKVQLKAHODN-GFCCVEGCSA-N 1 2 248.330 1.491 20 30 BDEDLO Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2C#N)n1C ZINC000393052223 371494960 /nfs/dbraw/zinc/49/49/60/371494960.db2.gz BOYGSWOMEAZACW-WDEREUQCSA-N 1 2 233.319 1.296 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000161865926 371575046 /nfs/dbraw/zinc/57/50/46/371575046.db2.gz DOWQUEABKRJWBM-ZJUUUORDSA-N 1 2 211.309 1.039 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(CCCC)[nH+]cn1 ZINC000631191741 372227110 /nfs/dbraw/zinc/22/71/10/372227110.db2.gz HKUMQPPZGRXXFZ-GFCCVEGCSA-N 1 2 249.358 1.838 20 30 BDEDLO C[C@@H](C#N)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171847431 372794623 /nfs/dbraw/zinc/79/46/23/372794623.db2.gz QKEXDOSSNCUGPI-VIFPVBQESA-N 1 2 228.255 1.224 20 30 BDEDLO CCC[N@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000336794203 169111128 /nfs/dbraw/zinc/11/11/28/169111128.db2.gz AEWAFEWDLKQMPW-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO CCC[N@@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000336794203 169111131 /nfs/dbraw/zinc/11/11/31/169111131.db2.gz AEWAFEWDLKQMPW-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO N#Cc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449371979 384037585 /nfs/dbraw/zinc/03/75/85/384037585.db2.gz ARQYJHUGOBDNIC-UHFFFAOYSA-N 1 2 210.227 1.955 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000117022823 384133388 /nfs/dbraw/zinc/13/33/88/384133388.db2.gz FIMLWGCVXQELBI-NSHDSACASA-N 1 2 236.319 1.537 20 30 BDEDLO C#CCCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000270925215 533040493 /nfs/dbraw/zinc/04/04/93/533040493.db2.gz OSMUQMMODFULNV-NSHDSACASA-N 1 2 226.320 1.750 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000118852959 384188201 /nfs/dbraw/zinc/18/82/01/384188201.db2.gz LHEWGHNYUOSIDL-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000118852959 384188206 /nfs/dbraw/zinc/18/82/06/384188206.db2.gz LHEWGHNYUOSIDL-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#CCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000092695960 384190537 /nfs/dbraw/zinc/19/05/37/384190537.db2.gz RGSUXXLCJJSONL-UHFFFAOYSA-N 1 2 231.299 1.033 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000042450521 384223348 /nfs/dbraw/zinc/22/33/48/384223348.db2.gz SBOVVSUQMSBONZ-AWEZNQCLSA-N 1 2 243.310 1.827 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000042450521 384223357 /nfs/dbraw/zinc/22/33/57/384223357.db2.gz SBOVVSUQMSBONZ-AWEZNQCLSA-N 1 2 243.310 1.827 20 30 BDEDLO C#CCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000367007748 533048482 /nfs/dbraw/zinc/04/84/82/533048482.db2.gz SLMUPASOKBUVCL-NSHDSACASA-N 1 2 219.288 1.928 20 30 BDEDLO C#CCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000367007748 533048485 /nfs/dbraw/zinc/04/84/85/533048485.db2.gz SLMUPASOKBUVCL-NSHDSACASA-N 1 2 219.288 1.928 20 30 BDEDLO C#CCC[N@@H+]1CCc2ncnc(OCC)c2C1 ZINC000371206015 533056445 /nfs/dbraw/zinc/05/64/45/533056445.db2.gz CQWZYDBGJSQLAN-UHFFFAOYSA-N 1 2 231.299 1.257 20 30 BDEDLO C#CCC[N@H+]1CCc2ncnc(OCC)c2C1 ZINC000371206015 533056448 /nfs/dbraw/zinc/05/64/48/533056448.db2.gz CQWZYDBGJSQLAN-UHFFFAOYSA-N 1 2 231.299 1.257 20 30 BDEDLO N#CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC000330364434 384366180 /nfs/dbraw/zinc/36/61/80/384366180.db2.gz NNFOHWKYBQRMOZ-UHFFFAOYSA-N 1 2 232.287 1.226 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCCC1 ZINC000044365284 384327106 /nfs/dbraw/zinc/32/71/06/384327106.db2.gz UYFWMIXLGGRNFV-LLVKDONJSA-N 1 2 246.314 1.472 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1CC1 ZINC000249932626 384529488 /nfs/dbraw/zinc/52/94/88/384529488.db2.gz FBRAUSAHDUYBJJ-VHSXEESVSA-N 1 2 223.320 1.135 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1CC1 ZINC000249932626 384529490 /nfs/dbraw/zinc/52/94/90/384529490.db2.gz FBRAUSAHDUYBJJ-VHSXEESVSA-N 1 2 223.320 1.135 20 30 BDEDLO Cc1c[nH+]c(CN[C@H]2CCC[C@@H]2C#N)n1C ZINC000309714733 384555555 /nfs/dbraw/zinc/55/55/55/384555555.db2.gz SHGDSOIQNKGXOU-MNOVXSKESA-N 1 2 218.304 1.510 20 30 BDEDLO C#CCN(CC)C(=O)/C=C\c1[nH+]ccn1CC ZINC000490950135 384538806 /nfs/dbraw/zinc/53/88/06/384538806.db2.gz OVSHZIOYSCTTDU-FPLPWBNLSA-N 1 2 231.299 1.398 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@](C)(O)C(F)(F)F ZINC000309803012 384626850 /nfs/dbraw/zinc/62/68/50/384626850.db2.gz WXTPCYKEVOFHMJ-DTWKUNHWSA-N 1 2 238.253 1.781 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@](C)(O)C(F)(F)F ZINC000309803012 384626853 /nfs/dbraw/zinc/62/68/53/384626853.db2.gz WXTPCYKEVOFHMJ-DTWKUNHWSA-N 1 2 238.253 1.781 20 30 BDEDLO C=CCC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000554424404 384676065 /nfs/dbraw/zinc/67/60/65/384676065.db2.gz AIJGRVCUVXOWAV-UHFFFAOYSA-N 1 2 221.304 1.602 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C#N)cn1 ZINC000491781054 384680488 /nfs/dbraw/zinc/68/04/88/384680488.db2.gz FQYRNVUMDFOFHW-UHFFFAOYSA-N 1 2 209.252 1.022 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000491783939 384683479 /nfs/dbraw/zinc/68/34/79/384683479.db2.gz PUWQSVABLBYKLR-RYUDHWBXSA-N 1 2 223.316 1.278 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000491783939 384683483 /nfs/dbraw/zinc/68/34/83/384683483.db2.gz PUWQSVABLBYKLR-RYUDHWBXSA-N 1 2 223.316 1.278 20 30 BDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565900205 384716845 /nfs/dbraw/zinc/71/68/45/384716845.db2.gz QJJJNDVYLFLGOW-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000565900205 384716850 /nfs/dbraw/zinc/71/68/50/384716850.db2.gz QJJJNDVYLFLGOW-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCCC1(F)F ZINC000491809959 384821790 /nfs/dbraw/zinc/82/17/90/384821790.db2.gz HEUBHMXPOITYCH-WDEREUQCSA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC1(F)F ZINC000491809959 384821799 /nfs/dbraw/zinc/82/17/99/384821799.db2.gz HEUBHMXPOITYCH-WDEREUQCSA-N 1 2 229.270 1.756 20 30 BDEDLO Cc1ncccc1C[NH+]1CCN(CC#N)CC1 ZINC000092936478 384830432 /nfs/dbraw/zinc/83/04/32/384830432.db2.gz ZDNVNAJOMCMPNJ-UHFFFAOYSA-N 1 2 230.315 1.031 20 30 BDEDLO COc1ccc(C[NH2+]CC(F)F)cc1C#N ZINC000147294277 384833938 /nfs/dbraw/zinc/83/39/38/384833938.db2.gz LWNHBPPLNPLGRY-UHFFFAOYSA-N 1 2 226.226 1.922 20 30 BDEDLO Cn1ccc(C[NH+]2CCC(C#N)CC2)n1 ZINC000211603275 384836099 /nfs/dbraw/zinc/83/60/99/384836099.db2.gz PUTYKHQQQJGFHO-UHFFFAOYSA-N 1 2 204.277 1.156 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCC1 ZINC000083795587 384798026 /nfs/dbraw/zinc/79/80/26/384798026.db2.gz KNWIKXZGZXHFBJ-JTQLQIEISA-N 1 2 232.287 1.082 20 30 BDEDLO C=C(C)C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000306435980 384946768 /nfs/dbraw/zinc/94/67/68/384946768.db2.gz FYZGIWISBLPTRQ-KWBADKCTSA-N 1 2 201.335 1.404 20 30 BDEDLO C=C(C)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000306435980 384946774 /nfs/dbraw/zinc/94/67/74/384946774.db2.gz FYZGIWISBLPTRQ-KWBADKCTSA-N 1 2 201.335 1.404 20 30 BDEDLO C=CCN(C(=O)NCc1[nH+]ccn1CC)C1CC1 ZINC000297987212 385018481 /nfs/dbraw/zinc/01/84/81/385018481.db2.gz CDINUHVXOIZFEK-UHFFFAOYSA-N 1 2 248.330 1.763 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358388511 385067980 /nfs/dbraw/zinc/06/79/80/385067980.db2.gz DVCGODCDBZBSRE-WDEREUQCSA-N 1 2 247.342 1.986 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358388511 385067986 /nfs/dbraw/zinc/06/79/86/385067986.db2.gz DVCGODCDBZBSRE-WDEREUQCSA-N 1 2 247.342 1.986 20 30 BDEDLO CCOC(=O)[C@@H](CC)[NH+]1CCC(C)(C#N)CC1 ZINC000227353254 385129208 /nfs/dbraw/zinc/12/92/08/385129208.db2.gz BWKSPMNVKBFDAS-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO C=CCCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000292035083 385142600 /nfs/dbraw/zinc/14/26/00/385142600.db2.gz QLAOREFMZUBQAF-UHFFFAOYSA-N 1 2 236.319 1.528 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nncn1C(C)C ZINC000644786177 385219813 /nfs/dbraw/zinc/21/98/13/385219813.db2.gz OJUDCFPWDQJIBI-NSHDSACASA-N 1 2 238.335 1.228 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nncn1C(C)C ZINC000644786177 385219817 /nfs/dbraw/zinc/21/98/17/385219817.db2.gz OJUDCFPWDQJIBI-NSHDSACASA-N 1 2 238.335 1.228 20 30 BDEDLO COC(=O)C(C)(C)[NH2+]CCC(C)(C)C#N ZINC000308902873 385273477 /nfs/dbraw/zinc/27/34/77/385273477.db2.gz BRGPIGWGTRFWRT-UHFFFAOYSA-N 1 2 212.293 1.467 20 30 BDEDLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC000180053299 385388375 /nfs/dbraw/zinc/38/83/75/385388375.db2.gz FOTSJEPCWQKZNT-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC000180053299 385388376 /nfs/dbraw/zinc/38/83/76/385388376.db2.gz FOTSJEPCWQKZNT-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC000180053299 385388377 /nfs/dbraw/zinc/38/83/77/385388377.db2.gz FOTSJEPCWQKZNT-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC000180053299 385388379 /nfs/dbraw/zinc/38/83/79/385388379.db2.gz FOTSJEPCWQKZNT-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO CCCC[C@@H]([NH2+]CCCC#N)C(=O)OC ZINC000309089378 385412127 /nfs/dbraw/zinc/41/21/27/385412127.db2.gz BOHZTKPQUHIDPG-SNVBAGLBSA-N 1 2 212.293 1.612 20 30 BDEDLO C[C@H](CCCC#N)N1CC[NH2+]CC(F)(F)C1 ZINC001172491701 974836271 /nfs/dbraw/zinc/83/62/71/974836271.db2.gz GMDCKIJAVDSJDS-SNVBAGLBSA-N 1 2 231.290 1.609 20 30 BDEDLO CCCN(CC#N)Cc1[nH+]ccn1CC ZINC000195515079 385471390 /nfs/dbraw/zinc/47/13/90/385471390.db2.gz QAGSNHPLYUAXRZ-UHFFFAOYSA-N 1 2 206.293 1.639 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492763916 533123954 /nfs/dbraw/zinc/12/39/54/533123954.db2.gz JVMMPKKEDHOXEL-ODTOEKCJSA-N 1 2 244.298 1.574 20 30 BDEDLO C=CC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000336649865 385594053 /nfs/dbraw/zinc/59/40/53/385594053.db2.gz IZWVRUSBVCNOFP-LLVKDONJSA-N 1 2 207.277 1.779 20 30 BDEDLO CCN(CCCn1cc[nH+]c1)[C@@H](C)C#N ZINC000595821635 385638847 /nfs/dbraw/zinc/63/88/47/385638847.db2.gz YCJRIUVLJFUKCQ-NSHDSACASA-N 1 2 206.293 1.507 20 30 BDEDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(C#N)o1 ZINC000120666795 385816032 /nfs/dbraw/zinc/81/60/32/385816032.db2.gz KFANKAJEASWMMJ-UHFFFAOYSA-N 1 2 249.314 1.498 20 30 BDEDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(C#N)o1 ZINC000120666795 385816035 /nfs/dbraw/zinc/81/60/35/385816035.db2.gz KFANKAJEASWMMJ-UHFFFAOYSA-N 1 2 249.314 1.498 20 30 BDEDLO C[C@@H]1CC[N@@H+]2[C@H](C1)C(=O)N[C@@]21CCC[C@@H](C#N)C1 ZINC000414200862 386037905 /nfs/dbraw/zinc/03/79/05/386037905.db2.gz DODBGZXCLQDMPT-BYNQJWBRSA-N 1 2 247.342 1.627 20 30 BDEDLO C[C@@H]1CC[N@H+]2[C@H](C1)C(=O)N[C@@]21CCC[C@@H](C#N)C1 ZINC000414200862 386037910 /nfs/dbraw/zinc/03/79/10/386037910.db2.gz DODBGZXCLQDMPT-BYNQJWBRSA-N 1 2 247.342 1.627 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccnc(C)n1 ZINC000038037894 386111829 /nfs/dbraw/zinc/11/18/29/386111829.db2.gz AKPKGSFKZFJOPZ-SNVBAGLBSA-N 1 2 204.277 1.567 20 30 BDEDLO C[C@H](C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000345832747 386119636 /nfs/dbraw/zinc/11/96/36/386119636.db2.gz CIISOOLWFQECKL-SNVBAGLBSA-N 1 2 246.314 1.038 20 30 BDEDLO Cc1cc(N2CC[C@@H](C)[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000398945785 386206854 /nfs/dbraw/zinc/20/68/54/386206854.db2.gz AUDUGUZYYTWMPR-RNCFNFMXSA-N 1 2 231.299 1.469 20 30 BDEDLO Cc1cc(NC[C@H](O)C2CCC2)c(C#N)c[nH+]1 ZINC000398971022 386281735 /nfs/dbraw/zinc/28/17/35/386281735.db2.gz ACJJSIGNAUDSMB-ZDUSSCGKSA-N 1 2 231.299 1.257 20 30 BDEDLO C=C(C)CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000334481291 386301366 /nfs/dbraw/zinc/30/13/66/386301366.db2.gz WECHLPAOVXHFAB-UHFFFAOYSA-N 1 2 219.288 1.852 20 30 BDEDLO C=C(CC)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000334481451 386303387 /nfs/dbraw/zinc/30/33/87/386303387.db2.gz VLRUQWUYLBFSIE-AWEZNQCLSA-N 1 2 215.362 1.796 20 30 BDEDLO C=C(CC)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000334481451 386303391 /nfs/dbraw/zinc/30/33/91/386303391.db2.gz VLRUQWUYLBFSIE-AWEZNQCLSA-N 1 2 215.362 1.796 20 30 BDEDLO C#CCN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000191116091 386377006 /nfs/dbraw/zinc/37/70/06/386377006.db2.gz ZBPSIEUTDGLJFB-UHFFFAOYSA-N 1 2 241.294 1.436 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000277627227 386452859 /nfs/dbraw/zinc/45/28/59/386452859.db2.gz BWDZEIJJCMQIOZ-NWALNABHSA-N 1 2 218.260 1.231 20 30 BDEDLO Cc1cc(NC[C@](C)(O)C(C)C)c(C#N)c[nH+]1 ZINC000398998144 386410935 /nfs/dbraw/zinc/41/09/35/386410935.db2.gz QZQSLKDHJPZMQT-ZDUSSCGKSA-N 1 2 233.315 1.503 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000320094072 386484084 /nfs/dbraw/zinc/48/40/84/386484084.db2.gz DKLQMJQWMRHRLB-JTQLQIEISA-N 1 2 207.277 1.524 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000339759807 386593747 /nfs/dbraw/zinc/59/37/47/386593747.db2.gz OCVDZKZQUXZHFC-VIFPVBQESA-N 1 2 207.277 1.648 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000339759807 386593750 /nfs/dbraw/zinc/59/37/50/386593750.db2.gz OCVDZKZQUXZHFC-VIFPVBQESA-N 1 2 207.277 1.648 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@H]2CCc3c[nH]nc3C2)c[nH+]1 ZINC000328772149 386619884 /nfs/dbraw/zinc/61/98/84/386619884.db2.gz JPNLIDHYYUOQLC-VIFPVBQESA-N 1 2 245.286 1.303 20 30 BDEDLO O=C(NCC[NH+]1CCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000328837612 386629337 /nfs/dbraw/zinc/62/93/37/386629337.db2.gz TUXCOPNCADPOLR-SNVBAGLBSA-N 1 2 248.330 1.492 20 30 BDEDLO C[N@H+](CC(=O)NC1CCCC1)[C@@H]1CCNC1=O ZINC000328890668 386640015 /nfs/dbraw/zinc/64/00/15/386640015.db2.gz RVYFMLMXIGTGQZ-SNVBAGLBSA-N 1 2 239.319 1.546 20 30 BDEDLO C[N@@H+](CC(=O)NC1CCCC1)[C@@H]1CCNC1=O ZINC000328890668 386640024 /nfs/dbraw/zinc/64/00/24/386640024.db2.gz RVYFMLMXIGTGQZ-SNVBAGLBSA-N 1 2 239.319 1.546 20 30 BDEDLO C=CCC1(C(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000290948493 386609029 /nfs/dbraw/zinc/60/90/29/386609029.db2.gz PQVDVZOOMHYYLF-UHFFFAOYSA-N 1 2 245.326 1.972 20 30 BDEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCOC1 ZINC000160222136 386664628 /nfs/dbraw/zinc/66/46/28/386664628.db2.gz OGOVBOUGTYBMKN-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCOC1 ZINC000160222136 386664634 /nfs/dbraw/zinc/66/46/34/386664634.db2.gz OGOVBOUGTYBMKN-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO CC[N@@H+](Cc1cnc(OC)nc1C)C[C@H](C)C#N ZINC000330408976 386707853 /nfs/dbraw/zinc/70/78/53/386707853.db2.gz XYZIAIRRGIKSMI-SNVBAGLBSA-N 1 2 248.330 1.775 20 30 BDEDLO CC[N@H+](Cc1cnc(OC)nc1C)C[C@H](C)C#N ZINC000330408976 386707863 /nfs/dbraw/zinc/70/78/63/386707863.db2.gz XYZIAIRRGIKSMI-SNVBAGLBSA-N 1 2 248.330 1.775 20 30 BDEDLO COCC(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330451523 386715394 /nfs/dbraw/zinc/71/53/94/386715394.db2.gz KDLMYXFZZPLIMW-UHFFFAOYSA-N 1 2 211.265 1.448 20 30 BDEDLO CC[C@H](O)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000330466092 386726016 /nfs/dbraw/zinc/72/60/16/386726016.db2.gz WXUPATWLJRGIMZ-VIFPVBQESA-N 1 2 225.292 1.574 20 30 BDEDLO CC[C@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000336672803 386820847 /nfs/dbraw/zinc/82/08/47/386820847.db2.gz GNXKZAZYQNCCJR-VIFPVBQESA-N 1 2 210.277 1.221 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000077986637 386828910 /nfs/dbraw/zinc/82/89/10/386828910.db2.gz HLNMWWGWRLEMBC-JTQLQIEISA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000077986637 386828914 /nfs/dbraw/zinc/82/89/14/386828914.db2.gz HLNMWWGWRLEMBC-JTQLQIEISA-N 1 2 209.289 1.426 20 30 BDEDLO C=CC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000452775958 386848546 /nfs/dbraw/zinc/84/85/46/386848546.db2.gz QCLMOOXPSZWFRT-UHFFFAOYSA-N 1 2 207.277 1.660 20 30 BDEDLO N#CC1(NC(=O)CCc2[nH]cc[nH+]2)CCCC1 ZINC000330734187 386885726 /nfs/dbraw/zinc/88/57/26/386885726.db2.gz KQZUWDZXNQFSPS-UHFFFAOYSA-N 1 2 232.287 1.295 20 30 BDEDLO Cc1cc(N[C@H](C)C[C@H](C)O)c(C#N)c[nH+]1 ZINC000399153091 387002658 /nfs/dbraw/zinc/00/26/58/387002658.db2.gz CCUSDFAEKSLLIB-ZJUUUORDSA-N 1 2 219.288 1.255 20 30 BDEDLO Cc1cc(NCC[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000399402934 387019727 /nfs/dbraw/zinc/01/97/27/387019727.db2.gz WWNDUQKAECNUMU-NSHDSACASA-N 1 2 231.299 1.522 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(C)nn1C ZINC000418026872 387028834 /nfs/dbraw/zinc/02/88/34/387028834.db2.gz GLFZCEXMZFGFFS-UHFFFAOYSA-N 1 2 223.320 1.363 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(C)nn1C ZINC000418026872 387028836 /nfs/dbraw/zinc/02/88/36/387028836.db2.gz GLFZCEXMZFGFFS-UHFFFAOYSA-N 1 2 223.320 1.363 20 30 BDEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)n(C)n1 ZINC000418065748 387081585 /nfs/dbraw/zinc/08/15/85/387081585.db2.gz LZLYGOXRCYWQPX-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)n(C)n1 ZINC000418065748 387081594 /nfs/dbraw/zinc/08/15/94/387081594.db2.gz LZLYGOXRCYWQPX-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO CCOCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399445374 387102826 /nfs/dbraw/zinc/10/28/26/387102826.db2.gz NATIJXNHPIZWMQ-UHFFFAOYSA-N 1 2 219.288 1.734 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069069596 387114070 /nfs/dbraw/zinc/11/40/70/387114070.db2.gz SXHGWLTXUZSOHX-JTQLQIEISA-N 1 2 222.288 1.575 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069069596 387114075 /nfs/dbraw/zinc/11/40/75/387114075.db2.gz SXHGWLTXUZSOHX-JTQLQIEISA-N 1 2 222.288 1.575 20 30 BDEDLO Cn1cc(C[N@H+](C2CC2)C2COC2)cc1C#N ZINC000296057352 387125189 /nfs/dbraw/zinc/12/51/89/387125189.db2.gz PAQHBFGZUQNQPP-UHFFFAOYSA-N 1 2 231.299 1.260 20 30 BDEDLO Cn1cc(C[N@@H+](C2CC2)C2COC2)cc1C#N ZINC000296057352 387125193 /nfs/dbraw/zinc/12/51/93/387125193.db2.gz PAQHBFGZUQNQPP-UHFFFAOYSA-N 1 2 231.299 1.260 20 30 BDEDLO CS[C@@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000399750355 387188034 /nfs/dbraw/zinc/18/80/34/387188034.db2.gz TWHCWWFFPDMNOT-VIFPVBQESA-N 1 2 221.329 1.847 20 30 BDEDLO C[C@H](CC(=O)NCCCCC#N)n1cc[nH+]c1 ZINC000572044257 387221733 /nfs/dbraw/zinc/22/17/33/387221733.db2.gz BGGAPNZSLGUDKO-LLVKDONJSA-N 1 2 234.303 1.644 20 30 BDEDLO CC(C)CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572069036 387227287 /nfs/dbraw/zinc/22/72/87/387227287.db2.gz LTBGTSKBBHWXRU-GFCCVEGCSA-N 1 2 225.336 1.383 20 30 BDEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191365328 387385994 /nfs/dbraw/zinc/38/59/94/387385994.db2.gz AWTDQTHXZDWUMO-MNOVXSKESA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191365328 387385999 /nfs/dbraw/zinc/38/59/99/387385999.db2.gz AWTDQTHXZDWUMO-MNOVXSKESA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nccn1C ZINC000515654941 387414517 /nfs/dbraw/zinc/41/45/17/387414517.db2.gz CNMXVVWMWKEJCJ-JTQLQIEISA-N 1 2 206.293 1.544 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nccn1C ZINC000515654941 387414520 /nfs/dbraw/zinc/41/45/20/387414520.db2.gz CNMXVVWMWKEJCJ-JTQLQIEISA-N 1 2 206.293 1.544 20 30 BDEDLO N#C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527534074 387626391 /nfs/dbraw/zinc/62/63/91/387626391.db2.gz FBHGBOIYNIDYPW-NSHDSACASA-N 1 2 232.287 1.035 20 30 BDEDLO CO[C@@H](C)C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356311385 387641967 /nfs/dbraw/zinc/64/19/67/387641967.db2.gz YWYMHPZCGRRBBJ-QMMMGPOBSA-N 1 2 225.317 1.481 20 30 BDEDLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356311385 387641971 /nfs/dbraw/zinc/64/19/71/387641971.db2.gz YWYMHPZCGRRBBJ-QMMMGPOBSA-N 1 2 225.317 1.481 20 30 BDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000157062814 387728677 /nfs/dbraw/zinc/72/86/77/387728677.db2.gz QYAOAYKWNOYFRK-SNVBAGLBSA-N 1 2 219.292 1.256 20 30 BDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCCC#N ZINC000157062814 387728681 /nfs/dbraw/zinc/72/86/81/387728681.db2.gz QYAOAYKWNOYFRK-SNVBAGLBSA-N 1 2 219.292 1.256 20 30 BDEDLO C=CCCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000564043570 387808766 /nfs/dbraw/zinc/80/87/66/387808766.db2.gz VQTFGHOIMLYSHO-GFCCVEGCSA-N 1 2 227.304 1.264 20 30 BDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000050048288 387830938 /nfs/dbraw/zinc/83/09/38/387830938.db2.gz RUXCEPDJASPZMR-CYBMUJFWSA-N 1 2 244.294 1.696 20 30 BDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000050048288 387830943 /nfs/dbraw/zinc/83/09/43/387830943.db2.gz RUXCEPDJASPZMR-CYBMUJFWSA-N 1 2 244.294 1.696 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000645861842 387881564 /nfs/dbraw/zinc/88/15/64/387881564.db2.gz SFAUXEPHJAVZEV-UHFFFAOYSA-N 1 2 206.293 1.310 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000645861842 387881569 /nfs/dbraw/zinc/88/15/69/387881569.db2.gz SFAUXEPHJAVZEV-UHFFFAOYSA-N 1 2 206.293 1.310 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000533089161 387951203 /nfs/dbraw/zinc/95/12/03/387951203.db2.gz KIAGXLOSHLCAEZ-GXFFZTMASA-N 1 2 246.314 1.254 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccn2)nn1 ZINC000424299232 387958076 /nfs/dbraw/zinc/95/80/76/387958076.db2.gz VFAUAEUYKDGJPN-LLVKDONJSA-N 1 2 243.314 1.710 20 30 BDEDLO C=C(CC)CNC(=O)CCn1cc[nH+]c1 ZINC000453024205 387966082 /nfs/dbraw/zinc/96/60/82/387966082.db2.gz UDOXPSSCOJBLKE-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO C=CCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454146123 388101447 /nfs/dbraw/zinc/10/14/47/388101447.db2.gz NLQCSGMWZBUTHZ-SECBINFHSA-N 1 2 222.292 1.449 20 30 BDEDLO C=CC[NH+](CC=C)Cc1c(C)nnn1CC ZINC000449001497 388126609 /nfs/dbraw/zinc/12/66/09/388126609.db2.gz DEAXFKJJRMRZRH-UHFFFAOYSA-N 1 2 220.320 1.780 20 30 BDEDLO CC#CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454733748 388132067 /nfs/dbraw/zinc/13/20/67/388132067.db2.gz KZOMEQRLERSLBS-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO C=C(C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000454972111 388143464 /nfs/dbraw/zinc/14/34/64/388143464.db2.gz LUHRHFGRSKWAQK-JTQLQIEISA-N 1 2 248.330 1.532 20 30 BDEDLO C=C(C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000454972111 388143467 /nfs/dbraw/zinc/14/34/67/388143467.db2.gz LUHRHFGRSKWAQK-JTQLQIEISA-N 1 2 248.330 1.532 20 30 BDEDLO C[C@H]1COCCC[N@@H+]1Cc1ccncc1C#N ZINC000592084854 388150620 /nfs/dbraw/zinc/15/06/20/388150620.db2.gz UULAQUROIFFNBW-NSHDSACASA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@H]1COCCC[N@H+]1Cc1ccncc1C#N ZINC000592084854 388150621 /nfs/dbraw/zinc/15/06/21/388150621.db2.gz UULAQUROIFFNBW-NSHDSACASA-N 1 2 231.299 1.564 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449667546 388250908 /nfs/dbraw/zinc/25/09/08/388250908.db2.gz VCAOCQWSNJURJK-GARJFASQSA-N 1 2 224.304 1.608 20 30 BDEDLO C#CCN(CC#CC)Cc1cc(OC)cc[nH+]1 ZINC000490865610 388257532 /nfs/dbraw/zinc/25/75/32/388257532.db2.gz FJPMXRGGSQDHLL-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(CO)o1 ZINC000490916578 388259803 /nfs/dbraw/zinc/25/98/03/388259803.db2.gz SZQNNWNKYHRFQV-UHFFFAOYSA-N 1 2 217.268 1.230 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(CO)o1 ZINC000490916578 388259805 /nfs/dbraw/zinc/25/98/05/388259805.db2.gz SZQNNWNKYHRFQV-UHFFFAOYSA-N 1 2 217.268 1.230 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000491265246 388281048 /nfs/dbraw/zinc/28/10/48/388281048.db2.gz KKCSKCSAXSPZQW-SNVBAGLBSA-N 1 2 246.285 1.693 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000491265246 388281049 /nfs/dbraw/zinc/28/10/49/388281049.db2.gz KKCSKCSAXSPZQW-SNVBAGLBSA-N 1 2 246.285 1.693 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCCC)C(=O)OC ZINC000451608605 388284111 /nfs/dbraw/zinc/28/41/11/388284111.db2.gz SQIMDAKZCNCLLO-WOPDTQHZSA-N 1 2 241.331 1.651 20 30 BDEDLO C#CC[N@@H+](CCCS(=O)(=O)C(C)C)C1CC1 ZINC000491349050 388287081 /nfs/dbraw/zinc/28/70/81/388287081.db2.gz GKSJZARDPHRXNI-UHFFFAOYSA-N 1 2 243.372 1.297 20 30 BDEDLO C#CC[N@H+](CCCS(=O)(=O)C(C)C)C1CC1 ZINC000491349050 388287082 /nfs/dbraw/zinc/28/70/82/388287082.db2.gz GKSJZARDPHRXNI-UHFFFAOYSA-N 1 2 243.372 1.297 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(CO)cc1 ZINC000491375049 388289935 /nfs/dbraw/zinc/28/99/35/388289935.db2.gz UCBDRVQHJCZIJN-AWEZNQCLSA-N 1 2 231.295 1.013 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000491375049 388289936 /nfs/dbraw/zinc/28/99/36/388289936.db2.gz UCBDRVQHJCZIJN-AWEZNQCLSA-N 1 2 231.295 1.013 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1cc(COC)on1 ZINC000491555062 388303669 /nfs/dbraw/zinc/30/36/69/388303669.db2.gz OJEFNJVZWFNQJK-VIFPVBQESA-N 1 2 208.261 1.322 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(C)c1ccccc1 ZINC000491659428 388308964 /nfs/dbraw/zinc/30/89/64/388308964.db2.gz MPIJYTPRUDYKTR-LBPRGKRZSA-N 1 2 230.311 1.603 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000491659428 388308965 /nfs/dbraw/zinc/30/89/65/388308965.db2.gz MPIJYTPRUDYKTR-LBPRGKRZSA-N 1 2 230.311 1.603 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(CC)nc1 ZINC000491682745 388310669 /nfs/dbraw/zinc/31/06/69/388310669.db2.gz UPPKYTNNIQBRTP-UHFFFAOYSA-N 1 2 227.311 1.498 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(CC)nc1 ZINC000491682745 388310670 /nfs/dbraw/zinc/31/06/70/388310670.db2.gz UPPKYTNNIQBRTP-UHFFFAOYSA-N 1 2 227.311 1.498 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](C2CCCC2)CC1=O ZINC000491716817 388314173 /nfs/dbraw/zinc/31/41/73/388314173.db2.gz UVKKZDNPDVXEOB-GXTWGEPZSA-N 1 2 248.370 1.936 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](C2CCCC2)CC1=O ZINC000491716817 388314174 /nfs/dbraw/zinc/31/41/74/388314174.db2.gz UVKKZDNPDVXEOB-GXTWGEPZSA-N 1 2 248.370 1.936 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000491736172 388316412 /nfs/dbraw/zinc/31/64/12/388316412.db2.gz QUHVJVHSHQUFPU-SECBINFHSA-N 1 2 244.298 1.420 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000491736172 388316413 /nfs/dbraw/zinc/31/64/13/388316413.db2.gz QUHVJVHSHQUFPU-SECBINFHSA-N 1 2 244.298 1.420 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCSC(C)C ZINC000491749007 388317491 /nfs/dbraw/zinc/31/74/91/388317491.db2.gz FPRQNOLYSMJBPQ-NSHDSACASA-N 1 2 213.346 1.462 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCSC(C)C ZINC000491749007 388317492 /nfs/dbraw/zinc/31/74/92/388317492.db2.gz FPRQNOLYSMJBPQ-NSHDSACASA-N 1 2 213.346 1.462 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491754943 388318121 /nfs/dbraw/zinc/31/81/21/388318121.db2.gz WSVDTBBRNCZUAY-GHMZBOCLSA-N 1 2 248.330 1.627 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(=O)c(OC)co1 ZINC000491776937 388319988 /nfs/dbraw/zinc/31/99/88/388319988.db2.gz FQPCXDWHPMOBRN-VIFPVBQESA-N 1 2 221.256 1.102 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(=O)c(OC)co1 ZINC000491776937 388319989 /nfs/dbraw/zinc/31/99/89/388319989.db2.gz FQPCXDWHPMOBRN-VIFPVBQESA-N 1 2 221.256 1.102 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC(C)(C)OC1=O ZINC000491802229 388321402 /nfs/dbraw/zinc/32/14/02/388321402.db2.gz FWVJAZCHRKZLOJ-SECBINFHSA-N 1 2 210.277 1.128 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC(C)(C)OC1=O ZINC000491802229 388321403 /nfs/dbraw/zinc/32/14/03/388321403.db2.gz FWVJAZCHRKZLOJ-SECBINFHSA-N 1 2 210.277 1.128 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000491809845 388322614 /nfs/dbraw/zinc/32/26/14/388322614.db2.gz YBDKLZJSUNSJOA-JTQLQIEISA-N 1 2 218.304 1.142 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000491809845 388322615 /nfs/dbraw/zinc/32/26/15/388322615.db2.gz YBDKLZJSUNSJOA-JTQLQIEISA-N 1 2 218.304 1.142 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000491815560 388323149 /nfs/dbraw/zinc/32/31/49/388323149.db2.gz FZIWAMPLABRBAL-MRVPVSSYSA-N 1 2 205.261 1.401 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000491815560 388323150 /nfs/dbraw/zinc/32/31/50/388323150.db2.gz FZIWAMPLABRBAL-MRVPVSSYSA-N 1 2 205.261 1.401 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nc2ccc(OC)nc2[nH]1 ZINC000490983727 388262989 /nfs/dbraw/zinc/26/29/89/388262989.db2.gz BFCFBFUBWYCMEV-UHFFFAOYSA-N 1 2 244.298 1.422 20 30 BDEDLO C#CC[N@H+](CC)Cc1nc2ccc(OC)nc2[nH]1 ZINC000490983727 388262990 /nfs/dbraw/zinc/26/29/90/388262990.db2.gz BFCFBFUBWYCMEV-UHFFFAOYSA-N 1 2 244.298 1.422 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000491072626 388267826 /nfs/dbraw/zinc/26/78/26/388267826.db2.gz URJJYBHDTWLPCS-IUCAKERBSA-N 1 2 230.258 1.011 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000491072626 388267828 /nfs/dbraw/zinc/26/78/28/388267828.db2.gz URJJYBHDTWLPCS-IUCAKERBSA-N 1 2 230.258 1.011 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000491096783 388269793 /nfs/dbraw/zinc/26/97/93/388269793.db2.gz WKHWSJRFOWOKFX-LLVKDONJSA-N 1 2 230.315 1.535 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000491096783 388269795 /nfs/dbraw/zinc/26/97/95/388269795.db2.gz WKHWSJRFOWOKFX-LLVKDONJSA-N 1 2 230.315 1.535 20 30 BDEDLO C#C[C@H](CCC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000491193485 388276199 /nfs/dbraw/zinc/27/61/99/388276199.db2.gz ZVJIQQDHPVSDRF-LLVKDONJSA-N 1 2 231.299 1.735 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCCC[C@H]1CC)C1CC1 ZINC000491230336 388278684 /nfs/dbraw/zinc/27/86/84/388278684.db2.gz MIEWHLJAUPXZTQ-CYBMUJFWSA-N 1 2 248.370 1.875 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCCC[C@H]1CC)C1CC1 ZINC000491230336 388278686 /nfs/dbraw/zinc/27/86/86/388278686.db2.gz MIEWHLJAUPXZTQ-CYBMUJFWSA-N 1 2 248.370 1.875 20 30 BDEDLO C#C[C@H](CCC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000491241457 388278966 /nfs/dbraw/zinc/27/89/66/388278966.db2.gz JMSOTHIWPXYBRH-SECBINFHSA-N 1 2 205.261 1.250 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nccn1C(F)F ZINC000491253617 388280352 /nfs/dbraw/zinc/28/03/52/388280352.db2.gz OOLQVGSDDMYRBY-MRVPVSSYSA-N 1 2 213.231 1.732 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000491253617 388280354 /nfs/dbraw/zinc/28/03/54/388280354.db2.gz OOLQVGSDDMYRBY-MRVPVSSYSA-N 1 2 213.231 1.732 20 30 BDEDLO C=C(Cl)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492323715 388341596 /nfs/dbraw/zinc/34/15/96/388341596.db2.gz VTLQJOGNEJYNAZ-PLNGDYQASA-N 1 2 239.706 1.785 20 30 BDEDLO Cc1nnc(NCCn2cc[nH+]c2)c(C#N)c1C ZINC000029374735 388356589 /nfs/dbraw/zinc/35/65/89/388356589.db2.gz DUIYAOZLWLSCCH-UHFFFAOYSA-N 1 2 242.286 1.274 20 30 BDEDLO CC[C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572726460 388371019 /nfs/dbraw/zinc/37/10/19/388371019.db2.gz XLDVXDMPRSHAFY-PWSUYJOCSA-N 1 2 225.336 1.383 20 30 BDEDLO COC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172884228 388411983 /nfs/dbraw/zinc/41/19/83/388411983.db2.gz RMRGULYNZBHYFF-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172884228 388411984 /nfs/dbraw/zinc/41/19/84/388411984.db2.gz RMRGULYNZBHYFF-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO CC[N@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000343527636 388500805 /nfs/dbraw/zinc/50/08/05/388500805.db2.gz KZSGXMSWMQQBIB-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000343527636 388500806 /nfs/dbraw/zinc/50/08/06/388500806.db2.gz KZSGXMSWMQQBIB-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO N#CCC1(O)C[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000548325429 388529775 /nfs/dbraw/zinc/52/97/75/388529775.db2.gz MPAQFMGIELAOMB-UHFFFAOYSA-N 1 2 242.282 1.023 20 30 BDEDLO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000549802098 388591595 /nfs/dbraw/zinc/59/15/95/388591595.db2.gz JBDQWARJUQXTQG-SNVBAGLBSA-N 1 2 236.275 1.137 20 30 BDEDLO N#CCCOCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000549802098 388591596 /nfs/dbraw/zinc/59/15/96/388591596.db2.gz JBDQWARJUQXTQG-SNVBAGLBSA-N 1 2 236.275 1.137 20 30 BDEDLO C=CCC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000550784306 388615045 /nfs/dbraw/zinc/61/50/45/388615045.db2.gz GQMMEHNTJJHOTP-UHFFFAOYSA-N 1 2 233.315 1.869 20 30 BDEDLO C=C(C)C[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528632505 388553371 /nfs/dbraw/zinc/55/33/71/388553371.db2.gz ZEEBSKONXMPCQI-UHFFFAOYSA-N 1 2 219.288 1.875 20 30 BDEDLO C=C(C)C[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528632505 388553374 /nfs/dbraw/zinc/55/33/74/388553374.db2.gz ZEEBSKONXMPCQI-UHFFFAOYSA-N 1 2 219.288 1.875 20 30 BDEDLO C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000615652507 388581518 /nfs/dbraw/zinc/58/15/18/388581518.db2.gz YOTUEAUNCWYRHV-IJLUTSLNSA-N 1 2 226.295 1.739 20 30 BDEDLO C[C@@H]1C[C@H](C[N@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000615652507 388581523 /nfs/dbraw/zinc/58/15/23/388581523.db2.gz YOTUEAUNCWYRHV-IJLUTSLNSA-N 1 2 226.295 1.739 20 30 BDEDLO C[C@H]1C[C@@H](Nc2ccncc2C#N)c2[nH+]ccn21 ZINC000520338304 388668511 /nfs/dbraw/zinc/66/85/11/388668511.db2.gz KJZPRWDORZALSK-JOYOIKCWSA-N 1 2 239.282 1.690 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000192226907 388677509 /nfs/dbraw/zinc/67/75/09/388677509.db2.gz BCMHHRFPQUADIM-CYBMUJFWSA-N 1 2 238.375 1.882 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000192226907 388677510 /nfs/dbraw/zinc/67/75/10/388677510.db2.gz BCMHHRFPQUADIM-CYBMUJFWSA-N 1 2 238.375 1.882 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000361173990 388636141 /nfs/dbraw/zinc/63/61/41/388636141.db2.gz QDYDEMOPECEHCE-LLVKDONJSA-N 1 2 246.310 1.860 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000361173990 388636143 /nfs/dbraw/zinc/63/61/43/388636143.db2.gz QDYDEMOPECEHCE-LLVKDONJSA-N 1 2 246.310 1.860 20 30 BDEDLO CC[C@@]1(C)C[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000248889809 388697776 /nfs/dbraw/zinc/69/77/76/388697776.db2.gz FOSLRXZNLCSORY-OLZOCXBDSA-N 1 2 235.331 1.931 20 30 BDEDLO CC[C@@]1(C)C[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000248889809 388697777 /nfs/dbraw/zinc/69/77/77/388697777.db2.gz FOSLRXZNLCSORY-OLZOCXBDSA-N 1 2 235.331 1.931 20 30 BDEDLO CO[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425251927 388701608 /nfs/dbraw/zinc/70/16/08/388701608.db2.gz YQFXRBUQPAHBIH-RISCZKNCSA-N 1 2 245.326 1.911 20 30 BDEDLO Cc1cc(NCC[C@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000528072885 388703325 /nfs/dbraw/zinc/70/33/25/388703325.db2.gz FRBXMASGLURGIB-GFCCVEGCSA-N 1 2 245.326 1.912 20 30 BDEDLO Cc1cc(N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(C#N)c[nH+]1 ZINC000528206296 388705510 /nfs/dbraw/zinc/70/55/10/388705510.db2.gz OBGXOGPDCUBMTC-RMIALFOJSA-N 1 2 245.326 1.907 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(C)C1=O ZINC000538711785 388707726 /nfs/dbraw/zinc/70/77/26/388707726.db2.gz SXIKWRMNXQVJFC-GHMZBOCLSA-N 1 2 223.320 1.089 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(C)C1=O ZINC000538711785 388707728 /nfs/dbraw/zinc/70/77/28/388707728.db2.gz SXIKWRMNXQVJFC-GHMZBOCLSA-N 1 2 223.320 1.089 20 30 BDEDLO N#Cc1csc(C[NH+]2CCC3(CCO3)CC2)n1 ZINC000555099608 388733793 /nfs/dbraw/zinc/73/37/93/388733793.db2.gz TZCUFKCIHZCZMO-UHFFFAOYSA-N 1 2 249.339 1.770 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCNC1=O ZINC000334978790 388826550 /nfs/dbraw/zinc/82/65/50/388826550.db2.gz QYWPCHOVFMIIOQ-LBPRGKRZSA-N 1 2 247.273 1.018 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCNC1=O ZINC000334978790 388826553 /nfs/dbraw/zinc/82/65/53/388826553.db2.gz QYWPCHOVFMIIOQ-LBPRGKRZSA-N 1 2 247.273 1.018 20 30 BDEDLO CC[C@H](C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000565194697 388923948 /nfs/dbraw/zinc/92/39/48/388923948.db2.gz KADNXJHWRNOKHS-LLVKDONJSA-N 1 2 242.282 1.675 20 30 BDEDLO CC#CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153076201 388937017 /nfs/dbraw/zinc/93/70/17/388937017.db2.gz 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/nfs/dbraw/zinc/55/40/17/133554017.db2.gz RWZVXVAKJDSXJF-AXFHLTTASA-N 1 2 233.319 1.548 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329753623 133988432 /nfs/dbraw/zinc/98/84/32/133988432.db2.gz WVBRWOYWTIZNPS-JOYOIKCWSA-N 1 2 235.287 1.601 20 30 BDEDLO Cc1ncc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000352027217 134043899 /nfs/dbraw/zinc/04/38/99/134043899.db2.gz ODYATJUGBVJRBX-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1ncc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000352027217 134043900 /nfs/dbraw/zinc/04/39/00/134043900.db2.gz ODYATJUGBVJRBX-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000336090444 134078288 /nfs/dbraw/zinc/07/82/88/134078288.db2.gz SBDVNBLPWRSFBU-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000336090444 134078289 /nfs/dbraw/zinc/07/82/89/134078289.db2.gz SBDVNBLPWRSFBU-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000336304996 134142919 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/nfs/dbraw/zinc/03/24/35/135032435.db2.gz UEHPKZZDOWBBTR-OLZOCXBDSA-N 1 2 239.363 1.189 20 30 BDEDLO CCN(CC[N@H+]1CCOC[C@@H]1C)C[C@H](C)C#N ZINC000249088129 135032436 /nfs/dbraw/zinc/03/24/36/135032436.db2.gz UEHPKZZDOWBBTR-OLZOCXBDSA-N 1 2 239.363 1.189 20 30 BDEDLO OC[C@]1(F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000338589141 135042210 /nfs/dbraw/zinc/04/22/10/135042210.db2.gz PPOZVBCPBGFPPA-AWEZNQCLSA-N 1 2 233.286 1.444 20 30 BDEDLO OC[C@]1(F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000338589141 135042213 /nfs/dbraw/zinc/04/22/13/135042213.db2.gz PPOZVBCPBGFPPA-AWEZNQCLSA-N 1 2 233.286 1.444 20 30 BDEDLO CCC[C@@](C)([NH2+]CCOCCC#N)C(=O)OC ZINC000339001908 135051041 /nfs/dbraw/zinc/05/10/41/135051041.db2.gz QIBYEVZEKRHHGH-GFCCVEGCSA-N 1 2 242.319 1.238 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250348728 135052426 /nfs/dbraw/zinc/05/24/26/135052426.db2.gz CFTLGDCXNLGPMT-GHMZBOCLSA-N 1 2 225.336 1.383 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250348728 135052428 /nfs/dbraw/zinc/05/24/28/135052428.db2.gz CFTLGDCXNLGPMT-GHMZBOCLSA-N 1 2 225.336 1.383 20 30 BDEDLO Cc1cccc(C[NH+]2CC(O)(CC#N)C2)c1 ZINC000336123213 135054261 /nfs/dbraw/zinc/05/42/61/135054261.db2.gz ONENEDVNHQIOOC-UHFFFAOYSA-N 1 2 216.284 1.455 20 30 BDEDLO C=CCOCC[NH2+]C(C)(C)c1noc(CC)n1 ZINC000339159835 135062391 /nfs/dbraw/zinc/06/23/91/135062391.db2.gz SMJPUUUTJNUUAW-UHFFFAOYSA-N 1 2 239.319 1.659 20 30 BDEDLO C=CCOCC[N@H+]1CCC[C@H]1C(F)F ZINC000339197284 135066361 /nfs/dbraw/zinc/06/63/61/135066361.db2.gz YFLGPEIKCCKJJZ-VIFPVBQESA-N 1 2 205.248 1.919 20 30 BDEDLO C=CCOCC[N@@H+]1CCC[C@H]1C(F)F ZINC000339197284 135066363 /nfs/dbraw/zinc/06/63/63/135066363.db2.gz YFLGPEIKCCKJJZ-VIFPVBQESA-N 1 2 205.248 1.919 20 30 BDEDLO CC[N@H+](CCCC#N)[C@@H](C)CS(=O)(=O)CC ZINC000113000461 135088283 /nfs/dbraw/zinc/08/82/83/135088283.db2.gz WMNSDMNIBPLFSP-NSHDSACASA-N 1 2 246.376 1.435 20 30 BDEDLO CC[N@@H+](CCCC#N)[C@@H](C)CS(=O)(=O)CC ZINC000113000461 135088284 /nfs/dbraw/zinc/08/82/84/135088284.db2.gz WMNSDMNIBPLFSP-NSHDSACASA-N 1 2 246.376 1.435 20 30 BDEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000267919388 135156627 /nfs/dbraw/zinc/15/66/27/135156627.db2.gz ILTDFEBZYUODKY-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000267919388 135156628 /nfs/dbraw/zinc/15/66/28/135156628.db2.gz ILTDFEBZYUODKY-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000298480997 135198950 /nfs/dbraw/zinc/19/89/50/135198950.db2.gz JEOCLNFVBBFLLV-UHFFFAOYSA-N 1 2 236.340 1.272 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000298480997 135198952 /nfs/dbraw/zinc/19/89/52/135198952.db2.gz JEOCLNFVBBFLLV-UHFFFAOYSA-N 1 2 236.340 1.272 20 30 BDEDLO C[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341685949 135241783 /nfs/dbraw/zinc/24/17/83/135241783.db2.gz DZDRPLYIBDMFHZ-PSASIEDQSA-N 1 2 232.287 1.147 20 30 BDEDLO CCN(Cc1[nH+]cc(C)n1C)C[C@@H](C)C#N ZINC000342792217 135319537 /nfs/dbraw/zinc/31/95/37/135319537.db2.gz PPXDWIHGTKXVOL-JTQLQIEISA-N 1 2 220.320 1.710 20 30 BDEDLO C[C@H](CC#N)Nc1[nH+]cnc2[nH]ccc21 ZINC000264335787 135361745 /nfs/dbraw/zinc/36/17/45/135361745.db2.gz UOVTXLAIEAISIJ-SSDOTTSWSA-N 1 2 201.233 1.672 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CCn1cc[nH+]c1 ZINC000264136994 135361798 /nfs/dbraw/zinc/36/17/98/135361798.db2.gz ZRNFRMRZBGMMSR-SNVBAGLBSA-N 1 2 220.276 1.034 20 30 BDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000294496159 135378163 /nfs/dbraw/zinc/37/81/63/135378163.db2.gz IAIYRVDGJOZQKG-QWRGUYRKSA-N 1 2 229.320 1.366 20 30 BDEDLO N#CCN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092936490 135514954 /nfs/dbraw/zinc/51/49/54/135514954.db2.gz VPOOCWBINRZTNM-UHFFFAOYSA-N 1 2 246.339 1.261 20 30 BDEDLO CC1(C(N)=O)C[NH+](Cc2ccccc2C#N)C1 ZINC000335390886 136090556 /nfs/dbraw/zinc/09/05/56/136090556.db2.gz ZQJSICCOGFNXHP-UHFFFAOYSA-N 1 2 229.283 1.915 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000348572612 136099294 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/nfs/dbraw/zinc/80/62/31/397806231.db2.gz DTVOOMMIILYYFE-VXGBXAGGSA-N 1 2 242.326 1.392 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@H](C(N)=O)C1 ZINC000190151875 397865313 /nfs/dbraw/zinc/86/53/13/397865313.db2.gz KGZWVZLRFGWSQF-CABZTGNLSA-N 1 2 247.298 1.237 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H](C(N)=O)C1 ZINC000190151875 397865315 /nfs/dbraw/zinc/86/53/15/397865315.db2.gz KGZWVZLRFGWSQF-CABZTGNLSA-N 1 2 247.298 1.237 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537717 397930404 /nfs/dbraw/zinc/93/04/04/397930404.db2.gz PTVCTHKSDYZLCH-MNOVXSKESA-N 1 2 249.314 1.757 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537717 397930409 /nfs/dbraw/zinc/93/04/09/397930409.db2.gz PTVCTHKSDYZLCH-MNOVXSKESA-N 1 2 249.314 1.757 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1ccnc(C#N)c1 ZINC000286146995 397948616 /nfs/dbraw/zinc/94/86/16/397948616.db2.gz IGKLHIFDUBODFB-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO C[C@H](CNc1nccc(C#N)n1)Cn1cc[nH+]c1 ZINC000295473184 397915212 /nfs/dbraw/zinc/91/52/12/397915212.db2.gz ISVIOUPBVWTGRO-SNVBAGLBSA-N 1 2 242.286 1.293 20 30 BDEDLO C[C@H](c1nccc(N)n1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623307 397993352 /nfs/dbraw/zinc/99/33/52/397993352.db2.gz MFEATGOQBLCYEH-MNOVXSKESA-N 1 2 245.330 1.576 20 30 BDEDLO C[C@H](c1nccc(N)n1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623307 397993354 /nfs/dbraw/zinc/99/33/54/397993354.db2.gz MFEATGOQBLCYEH-MNOVXSKESA-N 1 2 245.330 1.576 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649619161 398001593 /nfs/dbraw/zinc/00/15/93/398001593.db2.gz ZZFRIMUFIYRDMJ-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649619161 398001597 /nfs/dbraw/zinc/00/15/97/398001597.db2.gz ZZFRIMUFIYRDMJ-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(CCC)no1 ZINC000451601006 397978462 /nfs/dbraw/zinc/97/84/62/397978462.db2.gz SYEDVXOGFLTJGM-ZJUUUORDSA-N 1 2 237.303 1.455 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](CC(C)C)OC 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411438542 /nfs/dbraw/zinc/43/85/42/411438542.db2.gz WTRQELQPXXWJNI-UHFFFAOYSA-N 1 2 208.261 1.885 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000653609621 411438545 /nfs/dbraw/zinc/43/85/45/411438545.db2.gz WTRQELQPXXWJNI-UHFFFAOYSA-N 1 2 208.261 1.885 20 30 BDEDLO C=CCCn1cc(C[NH2+]Cc2ccoc2)nn1 ZINC000657324931 411465258 /nfs/dbraw/zinc/46/52/58/411465258.db2.gz IEUUOQJGYWZZDF-UHFFFAOYSA-N 1 2 232.287 1.737 20 30 BDEDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCCC#N ZINC000336777231 170270414 /nfs/dbraw/zinc/27/04/14/170270414.db2.gz HTHRDTNMHRFQCD-NSHDSACASA-N 1 2 226.320 1.858 20 30 BDEDLO CCOC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000297414123 170336429 /nfs/dbraw/zinc/33/64/29/170336429.db2.gz LROHTTQXQHEIAV-UHFFFAOYSA-N 1 2 216.284 1.779 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(OC)ns1 ZINC000660644522 411604611 /nfs/dbraw/zinc/60/46/11/411604611.db2.gz KSBABQDERQLCKV-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(OC)ns1 ZINC000660644522 411604612 /nfs/dbraw/zinc/60/46/12/411604612.db2.gz KSBABQDERQLCKV-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO C=CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661043359 411691745 /nfs/dbraw/zinc/69/17/45/411691745.db2.gz AEAVJLSRQIKTTP-SNVBAGLBSA-N 1 2 234.303 1.073 20 30 BDEDLO C=C(C)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661046162 411693292 /nfs/dbraw/zinc/69/32/92/411693292.db2.gz QWUQUTDHTKGMMV-SECBINFHSA-N 1 2 222.292 1.356 20 30 BDEDLO C=CCCNC(=O)NCc1c[nH+]ccc1OC ZINC000661230681 411737715 /nfs/dbraw/zinc/73/77/15/411737715.db2.gz YEXWTOGDOMSBQU-UHFFFAOYSA-N 1 2 235.287 1.466 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nnc(C)o1 ZINC000661530285 411797024 /nfs/dbraw/zinc/79/70/24/411797024.db2.gz SBFLQCONIZIPGT-JTQLQIEISA-N 1 2 225.292 1.137 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nnc(C)o1 ZINC000661530285 411797027 /nfs/dbraw/zinc/79/70/27/411797027.db2.gz SBFLQCONIZIPGT-JTQLQIEISA-N 1 2 225.292 1.137 20 30 BDEDLO CCn1cc[nH+]c1CNc1n[nH]c(C)c1C#N ZINC000519531647 411813321 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ZINC000129226283 177299999 /nfs/dbraw/zinc/29/99/99/177299999.db2.gz XCLSWROYHPFXJY-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C=C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668304517 487638090 /nfs/dbraw/zinc/63/80/90/487638090.db2.gz OUZJLBQRELUQQG-VXGBXAGGSA-N 1 2 245.326 1.702 20 30 BDEDLO N#CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000493583695 226244468 /nfs/dbraw/zinc/24/44/68/226244468.db2.gz GVDWLWODUUNWRK-WAYWQWQTSA-N 1 2 244.298 1.718 20 30 BDEDLO N#CCCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493643122 226247307 /nfs/dbraw/zinc/24/73/07/226247307.db2.gz LWHMSSKILYBVNN-SNAWJCMRSA-N 1 2 218.260 1.233 20 30 BDEDLO CC#CCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000680884368 487664610 /nfs/dbraw/zinc/66/46/10/487664610.db2.gz WHJBADPBKYVXQL-SECBINFHSA-N 1 2 221.222 1.663 20 30 BDEDLO CC#CCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000680884368 487664614 /nfs/dbraw/zinc/66/46/14/487664614.db2.gz WHJBADPBKYVXQL-SECBINFHSA-N 1 2 221.222 1.663 20 30 BDEDLO CC[C@H](CCO)CNc1cc(C)[nH+]cc1C#N ZINC000398985466 262773381 /nfs/dbraw/zinc/77/33/81/262773381.db2.gz GTJGTCOBTBZIDD-LLVKDONJSA-N 1 2 233.315 1.504 20 30 BDEDLO Cc1cc(N(C)CC[C@@H](C)O)c(C#N)c[nH+]1 ZINC000398951023 267332365 /nfs/dbraw/zinc/33/23/65/267332365.db2.gz DJDVGPGPDASYQO-SNVBAGLBSA-N 1 2 219.288 1.469 20 30 BDEDLO C=C(C)C[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000675504316 487743840 /nfs/dbraw/zinc/74/38/40/487743840.db2.gz BXKAVQWBLNLXKO-UHFFFAOYSA-N 1 2 217.334 1.072 20 30 BDEDLO CCC#C[C@@H](C)[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000767120513 585514402 /nfs/dbraw/zinc/51/44/02/585514402.db2.gz TWWSRPUEQWEGKX-LLVKDONJSA-N 1 2 245.388 1.543 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000767120513 585514403 /nfs/dbraw/zinc/51/44/03/585514403.db2.gz TWWSRPUEQWEGKX-LLVKDONJSA-N 1 2 245.388 1.543 20 30 BDEDLO C=CC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878916532 590650677 /nfs/dbraw/zinc/65/06/77/590650677.db2.gz ZGLLNMIRKSDVFH-DTWKUNHWSA-N 1 2 205.248 1.653 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000669933856 487938427 /nfs/dbraw/zinc/93/84/27/487938427.db2.gz DREOFWBPDXLIPG-AAEUAGOBSA-N 1 2 235.327 1.468 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000669933856 487938430 /nfs/dbraw/zinc/93/84/30/487938430.db2.gz DREOFWBPDXLIPG-AAEUAGOBSA-N 1 2 235.327 1.468 20 30 BDEDLO C[C@@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c2nccn21 ZINC000570626485 323065126 /nfs/dbraw/zinc/06/51/26/323065126.db2.gz PQOHPMBBDOTNMX-GRYCIOLGSA-N 1 2 243.314 1.922 20 30 BDEDLO C[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c2nccn21 ZINC000570626487 323065132 /nfs/dbraw/zinc/06/51/32/323065132.db2.gz PQOHPMBBDOTNMX-UTUOFQBUSA-N 1 2 243.314 1.922 20 30 BDEDLO C[C@@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)c2nccn21 ZINC000570626488 323065144 /nfs/dbraw/zinc/06/51/44/323065144.db2.gz PQOHPMBBDOTNMX-WOPDTQHZSA-N 1 2 243.314 1.922 20 30 BDEDLO C=CCOCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000570693383 323067495 /nfs/dbraw/zinc/06/74/95/323067495.db2.gz COJVJUALGAJQJU-UHFFFAOYSA-N 1 2 246.310 1.643 20 30 BDEDLO C=CCOCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000570693383 323067496 /nfs/dbraw/zinc/06/74/96/323067496.db2.gz COJVJUALGAJQJU-UHFFFAOYSA-N 1 2 246.310 1.643 20 30 BDEDLO C[C@@H]1C[C@@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000570927375 323074430 /nfs/dbraw/zinc/07/44/30/323074430.db2.gz MMAQZURMNISSLW-MNOVXSKESA-N 1 2 208.305 1.647 20 30 BDEDLO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)c2[nH+]ccn21 ZINC000570985760 323102937 /nfs/dbraw/zinc/10/29/37/323102937.db2.gz NNPDWZKZWVHOQB-BDAKNGLRSA-N 1 2 240.270 1.085 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H]1C=CCCC1 ZINC000563220574 323104589 /nfs/dbraw/zinc/10/45/89/323104589.db2.gz RHUPTXDWHXCWTG-GXTWGEPZSA-N 1 2 249.358 1.693 20 30 BDEDLO CN(C)c1cccc(C[NH2+]CCC#N)n1 ZINC000563806446 323178114 /nfs/dbraw/zinc/17/81/14/323178114.db2.gz VSLRFWSYXWMJMR-UHFFFAOYSA-N 1 2 204.277 1.151 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(C#N)cn1 ZINC000107598737 323853786 /nfs/dbraw/zinc/85/37/86/323853786.db2.gz XCUJVOCOOHPSOL-UHFFFAOYSA-N 1 2 238.250 1.909 20 30 BDEDLO CCc1cc(C[NH2+]Cc2ccc(C#N)o2)on1 ZINC000537759470 324102015 /nfs/dbraw/zinc/10/20/15/324102015.db2.gz ANPRRJXUOVBCGH-UHFFFAOYSA-N 1 2 231.255 1.991 20 30 BDEDLO Cc1nn2c(C[NH2+]C[C@H](C)C#N)c(C)nc2s1 ZINC000541762362 324978248 /nfs/dbraw/zinc/97/82/48/324978248.db2.gz YBKULAIHYMICBR-SSDOTTSWSA-N 1 2 249.343 1.657 20 30 BDEDLO N#Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000134493554 325361025 /nfs/dbraw/zinc/36/10/25/325361025.db2.gz UZGCQQGLXUKEHN-UHFFFAOYSA-N 1 2 240.266 1.254 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1ccncc1C#N ZINC000548153764 325436829 /nfs/dbraw/zinc/43/68/29/325436829.db2.gz RNMWTLHYVSGWHL-UHFFFAOYSA-N 1 2 213.244 1.313 20 30 BDEDLO Cc1cc(NC(=O)c2cc(C#N)cn2C)cc[nH+]1 ZINC000081711533 325515709 /nfs/dbraw/zinc/51/57/09/325515709.db2.gz IDUFEZZAGCSOII-UHFFFAOYSA-N 1 2 240.266 1.853 20 30 BDEDLO CC(C)n1ccc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000564855390 325817834 /nfs/dbraw/zinc/81/78/34/325817834.db2.gz RHPZHGSIXFQGJM-GFCCVEGCSA-N 1 2 245.330 1.997 20 30 BDEDLO CC(C)n1ccc(C[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000564855394 325817865 /nfs/dbraw/zinc/81/78/65/325817865.db2.gz RHPZHGSIXFQGJM-LBPRGKRZSA-N 1 2 245.330 1.997 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000566439215 326047812 /nfs/dbraw/zinc/04/78/12/326047812.db2.gz ZSPHJTQPRARXCX-GFCCVEGCSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)Oc1cc(C[NH2+]CCC#N)ccn1 ZINC000567042487 326104931 /nfs/dbraw/zinc/10/49/31/326104931.db2.gz GYDGUMDYMBUONR-UHFFFAOYSA-N 1 2 219.288 1.872 20 30 BDEDLO C[C@H]([NH2+]CCC#N)C(=O)N1Cc2ccccc2C1 ZINC000567892167 326277453 /nfs/dbraw/zinc/27/74/53/326277453.db2.gz GWTOPJFDTGHKPP-NSHDSACASA-N 1 2 243.310 1.421 20 30 BDEDLO N#CC1(CN2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000568644720 326370504 /nfs/dbraw/zinc/37/05/04/326370504.db2.gz SDRCXWHUTLEVNK-CYBMUJFWSA-N 1 2 249.358 1.087 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682534365 487979960 /nfs/dbraw/zinc/97/99/60/487979960.db2.gz STARGHHNWRFWAL-SNVBAGLBSA-N 1 2 219.288 1.090 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000491683657 488037694 /nfs/dbraw/zinc/03/76/94/488037694.db2.gz ZZWGARSTCVDNAP-SECBINFHSA-N 1 2 237.324 1.988 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccsc1C(=O)OC ZINC000491683657 488037699 /nfs/dbraw/zinc/03/76/99/488037699.db2.gz ZZWGARSTCVDNAP-SECBINFHSA-N 1 2 237.324 1.988 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000491708745 488038694 /nfs/dbraw/zinc/03/86/94/488038694.db2.gz HUVHUWGNBOUJAB-UHFFFAOYSA-N 1 2 219.288 1.791 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000491708745 488038701 /nfs/dbraw/zinc/03/87/01/488038701.db2.gz HUVHUWGNBOUJAB-UHFFFAOYSA-N 1 2 219.288 1.791 20 30 BDEDLO CC[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](C)C#N ZINC000049000586 488052031 /nfs/dbraw/zinc/05/20/31/488052031.db2.gz ZNODYEJRXNOWFM-LLVKDONJSA-N 1 2 245.326 1.767 20 30 BDEDLO CC[N@H+](Cc1cccc(C(N)=O)c1)C[C@H](C)C#N ZINC000049000586 488052034 /nfs/dbraw/zinc/05/20/34/488052034.db2.gz ZNODYEJRXNOWFM-LLVKDONJSA-N 1 2 245.326 1.767 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000321153136 488129064 /nfs/dbraw/zinc/12/90/64/488129064.db2.gz VOPCMRMNVKGMQI-NSHDSACASA-N 1 2 221.304 1.778 20 30 BDEDLO COCC#CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677819702 488136145 /nfs/dbraw/zinc/13/61/45/488136145.db2.gz MOWDPAJBTLTAPH-UHFFFAOYSA-N 1 2 215.243 1.367 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nccs1 ZINC000678714722 488276941 /nfs/dbraw/zinc/27/69/41/488276941.db2.gz LMUKIUGBDPGMOW-VIFPVBQESA-N 1 2 212.318 1.512 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nccs1 ZINC000678714722 488276944 /nfs/dbraw/zinc/27/69/44/488276944.db2.gz LMUKIUGBDPGMOW-VIFPVBQESA-N 1 2 212.318 1.512 20 30 BDEDLO Cc1ccc(Cn2cnc(C#N)c2C#N)c(C)[nH+]1 ZINC000358790916 490268261 /nfs/dbraw/zinc/26/82/61/490268261.db2.gz MYMLYEHVOASRPX-UHFFFAOYSA-N 1 2 237.266 1.687 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184159209 491077957 /nfs/dbraw/zinc/07/79/57/491077957.db2.gz HUFHRKDENRVCLR-VIFPVBQESA-N 1 2 239.344 1.404 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000595620828 491079521 /nfs/dbraw/zinc/07/95/21/491079521.db2.gz RGYHKPZXCVBHEK-JTQLQIEISA-N 1 2 231.303 1.015 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2nccc(N)n2)C1 ZINC000595620828 491079523 /nfs/dbraw/zinc/07/95/23/491079523.db2.gz RGYHKPZXCVBHEK-JTQLQIEISA-N 1 2 231.303 1.015 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000890552724 582474757 /nfs/dbraw/zinc/47/47/57/582474757.db2.gz NMVQFWKYNQFTFS-SNVBAGLBSA-N 1 2 219.288 1.438 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000054183856 536055879 /nfs/dbraw/zinc/05/58/79/536055879.db2.gz HCZYBFCIDLKRCU-SECBINFHSA-N 1 2 236.271 1.848 20 30 BDEDLO Cc1cc(NC[C@H](O)CC(C)(C)C)c(C#N)c[nH+]1 ZINC000399002897 518186361 /nfs/dbraw/zinc/18/63/61/518186361.db2.gz UXBZMDJMKNNBTR-GFCCVEGCSA-N 1 2 247.342 1.893 20 30 BDEDLO C=C(CC)C[N@H+](CCOC)CC(=O)OC ZINC000358493362 534376965 /nfs/dbraw/zinc/37/69/65/534376965.db2.gz BZKFFHBBHZSJBW-UHFFFAOYSA-N 1 2 215.293 1.074 20 30 BDEDLO C=C(CC)C[N@@H+](CCOC)CC(=O)OC ZINC000358493362 534376968 /nfs/dbraw/zinc/37/69/68/534376968.db2.gz BZKFFHBBHZSJBW-UHFFFAOYSA-N 1 2 215.293 1.074 20 30 BDEDLO C=C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283619887 534451935 /nfs/dbraw/zinc/45/19/35/534451935.db2.gz APUZYJRUVDFFTK-NSCUHMNNSA-N 1 2 217.272 1.602 20 30 BDEDLO C=CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000339171105 534522111 /nfs/dbraw/zinc/52/21/11/534522111.db2.gz UFFRJGJVLJYCDC-UHFFFAOYSA-N 1 2 247.342 1.777 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000355742724 534630296 /nfs/dbraw/zinc/63/02/96/534630296.db2.gz WOFXBSGBIJXQOO-BXKDBHETSA-N 1 2 237.303 1.304 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119471203 534658137 /nfs/dbraw/zinc/65/81/37/534658137.db2.gz IUFSXZOPMXRWOS-UWVGGRQHSA-N 1 2 219.288 1.136 20 30 BDEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000367475702 534759569 /nfs/dbraw/zinc/75/95/69/534759569.db2.gz DKFDGYUHGCCYAK-UWVGGRQHSA-N 1 2 246.301 1.845 20 30 BDEDLO C=C(C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493663196 526449499 /nfs/dbraw/zinc/44/94/99/526449499.db2.gz ZNUDOJMIRXQWGE-ONEGZZNKSA-N 1 2 205.261 1.505 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000491660293 526801511 /nfs/dbraw/zinc/80/15/11/526801511.db2.gz OIDNIBYWCARMFA-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000491660293 526801514 /nfs/dbraw/zinc/80/15/14/526801514.db2.gz OIDNIBYWCARMFA-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc([N+](=O)[O-])cc1 ZINC000174523815 526844803 /nfs/dbraw/zinc/84/48/03/526844803.db2.gz VIRPDKYNMKSHOQ-UHFFFAOYSA-N 1 2 228.251 1.663 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000491268383 526848581 /nfs/dbraw/zinc/84/85/81/526848581.db2.gz ZCMWDRZJDQPJGP-OLZOCXBDSA-N 1 2 234.343 1.248 20 30 BDEDLO C=C(CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493396588 526854984 /nfs/dbraw/zinc/85/49/84/526854984.db2.gz FENNORNYZLWZJB-SNAWJCMRSA-N 1 2 205.261 1.505 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493495193 527034363 /nfs/dbraw/zinc/03/43/63/527034363.db2.gz VVYGHSREXFJTOJ-VQCYPWCPSA-N 1 2 219.288 1.894 20 30 BDEDLO C#C[C@@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)C ZINC000301004728 527293843 /nfs/dbraw/zinc/29/38/43/527293843.db2.gz XREMCIPJJAMAPR-GHMZBOCLSA-N 1 2 209.289 1.185 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOCCCC ZINC000491809384 527428067 /nfs/dbraw/zinc/42/80/67/527428067.db2.gz XYRVBHSJRFHNJW-LBPRGKRZSA-N 1 2 211.305 1.137 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOCCCC ZINC000491809384 527428068 /nfs/dbraw/zinc/42/80/68/527428068.db2.gz XYRVBHSJRFHNJW-LBPRGKRZSA-N 1 2 211.305 1.137 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493509155 527490523 /nfs/dbraw/zinc/49/05/23/527490523.db2.gz BPIBZDIMIYHJAK-BCEXGZMNSA-N 1 2 247.298 1.130 20 30 BDEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000329639139 535930889 /nfs/dbraw/zinc/93/08/89/535930889.db2.gz WJORGPHEXJCCHP-VIFPVBQESA-N 1 2 248.330 1.665 20 30 BDEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000329639139 535930896 /nfs/dbraw/zinc/93/08/96/535930896.db2.gz WJORGPHEXJCCHP-VIFPVBQESA-N 1 2 248.330 1.665 20 30 BDEDLO CN(C)c1ncc(C[N@H+](C)CC2(C#N)CC2)cn1 ZINC000332108789 536159206 /nfs/dbraw/zinc/15/92/06/536159206.db2.gz DRDLEVJJQCFKPX-UHFFFAOYSA-N 1 2 245.330 1.278 20 30 BDEDLO CN(C)c1ncc(C[N@@H+](C)CC2(C#N)CC2)cn1 ZINC000332108789 536159210 /nfs/dbraw/zinc/15/92/10/536159210.db2.gz DRDLEVJJQCFKPX-UHFFFAOYSA-N 1 2 245.330 1.278 20 30 BDEDLO C[N@H+](CCC#N)[C@@H](CO)c1ccccc1 ZINC000264028403 536301037 /nfs/dbraw/zinc/30/10/37/536301037.db2.gz OMLGAMSKWGJPCY-LBPRGKRZSA-N 1 2 204.273 1.565 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H](CO)c1ccccc1 ZINC000264028403 536301041 /nfs/dbraw/zinc/30/10/41/536301041.db2.gz OMLGAMSKWGJPCY-LBPRGKRZSA-N 1 2 204.273 1.565 20 30 BDEDLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309215217 536638364 /nfs/dbraw/zinc/63/83/64/536638364.db2.gz UHUXOAJKWUQEKJ-LPEHRKFASA-N 1 2 210.277 1.220 20 30 BDEDLO COC(=O)c1ccc(C[N@H+](C)C[C@@H](C)C#N)[nH]1 ZINC000359244445 536658837 /nfs/dbraw/zinc/65/88/37/536658837.db2.gz YCANRXYFLSTUQX-VIFPVBQESA-N 1 2 235.287 1.393 20 30 BDEDLO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)[nH]1 ZINC000359244445 536658843 /nfs/dbraw/zinc/65/88/43/536658843.db2.gz YCANRXYFLSTUQX-VIFPVBQESA-N 1 2 235.287 1.393 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]CCC#N)c(F)c1 ZINC000894082526 583295631 /nfs/dbraw/zinc/29/56/31/583295631.db2.gz FFGGIIAIYZOOHZ-UHFFFAOYSA-N 1 2 236.246 1.616 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1NCCO ZINC000853083147 588718938 /nfs/dbraw/zinc/71/89/38/588718938.db2.gz NJKHBAYHWBLAHI-UHFFFAOYSA-N 1 2 220.272 1.278 20 30 BDEDLO C#Cc1cccnc1NCC[N@H+]1CCOC[C@H]1C ZINC000853270574 588730265 /nfs/dbraw/zinc/73/02/65/588730265.db2.gz BSEWIECLPFNBDE-GFCCVEGCSA-N 1 2 245.326 1.196 20 30 BDEDLO C#Cc1cccnc1NCC[N@@H+]1CCOC[C@H]1C ZINC000853270574 588730266 /nfs/dbraw/zinc/73/02/66/588730266.db2.gz BSEWIECLPFNBDE-GFCCVEGCSA-N 1 2 245.326 1.196 20 30 BDEDLO COc1ccnc(N=NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000853289095 588731082 /nfs/dbraw/zinc/73/10/82/588731082.db2.gz JVBJWBBHEWOIRP-UHFFFAOYSA-N 1 2 246.274 1.271 20 30 BDEDLO C(=NOC[C@H]1CCOC1)c1c[nH+]c2n1CCC2 ZINC000853337806 588734907 /nfs/dbraw/zinc/73/49/07/588734907.db2.gz UFHWUOBBQFEOKJ-JTQLQIEISA-N 1 2 235.287 1.216 20 30 BDEDLO Cc1[nH+]cc(C=NNCC2CCCC2)n1C ZINC000853346385 588735928 /nfs/dbraw/zinc/73/59/28/588735928.db2.gz ZYNYSILCNYXNRT-UHFFFAOYSA-N 1 2 220.320 1.842 20 30 BDEDLO CC[C@@H]1COCC1=NNCCCn1cc[nH+]c1 ZINC000853370507 588738745 /nfs/dbraw/zinc/73/87/45/588738745.db2.gz OXFNQXJZLSNRLI-LLVKDONJSA-N 1 2 236.319 1.275 20 30 BDEDLO Nc1ncc2c(n1)CCCC2=[NH+]OCC1CCC1 ZINC000853440916 588743305 /nfs/dbraw/zinc/74/33/05/588743305.db2.gz PAYKNWYUJVDOAR-UHFFFAOYSA-N 1 2 246.314 1.916 20 30 BDEDLO CC(C)[C@@H]1CCN(C[NH+]2CCC(C#N)CC2)C1=O ZINC000853492411 588745998 /nfs/dbraw/zinc/74/59/98/588745998.db2.gz PPRBVEZYFPGJQB-ZDUSSCGKSA-N 1 2 249.358 1.684 20 30 BDEDLO C=CC[N@H+](CN1CCCC1=O)[C@H](C)COC ZINC000853532557 588747666 /nfs/dbraw/zinc/74/76/66/588747666.db2.gz HAQAHDDGDKAQMU-LLVKDONJSA-N 1 2 226.320 1.089 20 30 BDEDLO C=CC[N@@H+](CN1CCCC1=O)[C@H](C)COC ZINC000853532557 588747667 /nfs/dbraw/zinc/74/76/67/588747667.db2.gz HAQAHDDGDKAQMU-LLVKDONJSA-N 1 2 226.320 1.089 20 30 BDEDLO C#CCOCCO[NH+]=C(N)c1ccccc1C ZINC000853636567 588751338 /nfs/dbraw/zinc/75/13/38/588751338.db2.gz FYUSEGWRJCBGQI-UHFFFAOYSA-N 1 2 232.283 1.491 20 30 BDEDLO CC1=NO[C@@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000853662011 588753897 /nfs/dbraw/zinc/75/38/97/588753897.db2.gz WRDOQXBPCCFWQP-LLVKDONJSA-N 1 2 230.271 1.260 20 30 BDEDLO C=CC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854816060 588811820 /nfs/dbraw/zinc/81/18/20/588811820.db2.gz DRWTXCYRGRXOES-UHFFFAOYSA-N 1 2 207.277 1.281 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C#CC(C)C ZINC000854845408 588813105 /nfs/dbraw/zinc/81/31/05/588813105.db2.gz NFVUGSBMSKMHDE-NSHDSACASA-N 1 2 233.315 1.740 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000890553814 582473859 /nfs/dbraw/zinc/47/38/59/582473859.db2.gz BTPRUZDUWBGFHY-QJPTWQEYSA-N 1 2 245.326 1.701 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000890654448 582493780 /nfs/dbraw/zinc/49/37/80/582493780.db2.gz CFHHHILGQVIHQG-AAEUAGOBSA-N 1 2 245.326 1.603 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000890654448 582493782 /nfs/dbraw/zinc/49/37/82/582493782.db2.gz CFHHHILGQVIHQG-AAEUAGOBSA-N 1 2 245.326 1.603 20 30 BDEDLO C=CCCCN(CC)C(=O)Cc1c[nH+]cn1C ZINC000890813169 582574005 /nfs/dbraw/zinc/57/40/05/582574005.db2.gz RURJCGGSLZEPOY-UHFFFAOYSA-N 1 2 235.331 1.777 20 30 BDEDLO C=C[C@@H](C)O[NH+]=Cc1c(Cl)nc(N)n1C ZINC000844621399 582603391 /nfs/dbraw/zinc/60/33/91/582603391.db2.gz ZBFVXXGXGOQEBR-ZCFIWIBFSA-N 1 2 228.683 1.581 20 30 BDEDLO C=CC(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000891267344 582646106 /nfs/dbraw/zinc/64/61/06/582646106.db2.gz XCZYFANCSGFUAN-UHFFFAOYSA-N 1 2 219.288 1.574 20 30 BDEDLO O=C(N[C@@H]1CCCOC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328943019 582721964 /nfs/dbraw/zinc/72/19/64/582721964.db2.gz IQRSNWMIOFEDQH-GHMZBOCLSA-N 1 2 249.314 1.581 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cn(CC)nc1C ZINC000892068924 582784672 /nfs/dbraw/zinc/78/46/72/582784672.db2.gz WICLTYMOIZIQQC-UHFFFAOYSA-N 1 2 229.327 1.670 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cn(CC)nc1C ZINC000892068924 582784674 /nfs/dbraw/zinc/78/46/74/582784674.db2.gz WICLTYMOIZIQQC-UHFFFAOYSA-N 1 2 229.327 1.670 20 30 BDEDLO N#CC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892137665 582798453 /nfs/dbraw/zinc/79/84/53/582798453.db2.gz JBQBXQFOBDQBDU-UHFFFAOYSA-N 1 2 227.271 1.469 20 30 BDEDLO CC(C)(C=NOC1CCC1)[NH+]1CCOCC1 ZINC000841639046 582876646 /nfs/dbraw/zinc/87/66/46/582876646.db2.gz JKUJTTLYASLPHM-UHFFFAOYSA-N 1 2 226.320 1.652 20 30 BDEDLO C=CC1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000892460488 582892093 /nfs/dbraw/zinc/89/20/93/582892093.db2.gz QTFYYIIYSJFESL-UHFFFAOYSA-N 1 2 232.331 1.945 20 30 BDEDLO C=CC1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000892460488 582892094 /nfs/dbraw/zinc/89/20/94/582892094.db2.gz QTFYYIIYSJFESL-UHFFFAOYSA-N 1 2 232.331 1.945 20 30 BDEDLO C=C(C)[C@H](CO)[NH2+][C@H](C)c1nnc(C)s1 ZINC000393768041 582922581 /nfs/dbraw/zinc/92/25/81/582922581.db2.gz VKFXQCNSYCFVST-APPZFPTMSA-N 1 2 227.333 1.434 20 30 BDEDLO CC(C)C#CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856280610 588866794 /nfs/dbraw/zinc/86/67/94/588866794.db2.gz VDJUVFGTCPPBLF-SNVBAGLBSA-N 1 2 219.288 1.257 20 30 BDEDLO C#C[C@H]([NH2+]Cc1coc(C2CC2)n1)[C@@H]1CCCO1 ZINC000775343853 583088013 /nfs/dbraw/zinc/08/80/13/583088013.db2.gz YNDGRVCMGXGLRC-STQMWFEESA-N 1 2 246.310 1.822 20 30 BDEDLO Cn1nccc1[C@@H](O)C1CC[NH+](CCC#N)CC1 ZINC000856803285 588878496 /nfs/dbraw/zinc/87/84/96/588878496.db2.gz CQXSWKABCCIVIF-ZDUSSCGKSA-N 1 2 248.330 1.079 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc[nH+]c(N(C)[C@H](C)C#C)n1 ZINC000893527903 583157931 /nfs/dbraw/zinc/15/79/31/583157931.db2.gz RGXVMNQCIIJWIA-VXGBXAGGSA-N 1 2 242.326 1.392 20 30 BDEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)nc1 ZINC000893544064 583160017 /nfs/dbraw/zinc/16/00/17/583160017.db2.gz JAWZZTGDTPSFIF-SECBINFHSA-N 1 2 205.261 1.339 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1nccnc1C ZINC000857022534 588882878 /nfs/dbraw/zinc/88/28/78/588882878.db2.gz PQASUQJEXCTTEZ-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1nccnc1C ZINC000857022534 588882879 /nfs/dbraw/zinc/88/28/79/588882879.db2.gz PQASUQJEXCTTEZ-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO CCC#CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000893843207 583231541 /nfs/dbraw/zinc/23/15/41/583231541.db2.gz INDTVAYGSNKHFZ-LLVKDONJSA-N 1 2 220.272 1.791 20 30 BDEDLO N#C[C@@]1(F)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000893933693 583251649 /nfs/dbraw/zinc/25/16/49/583251649.db2.gz XIQRSKWVPICRCO-LBPRGKRZSA-N 1 2 234.278 1.656 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000894059241 583292091 /nfs/dbraw/zinc/29/20/91/583292091.db2.gz GVOFLYMAMLHLSI-ZETCQYMHSA-N 1 2 242.120 1.626 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000894059241 583292095 /nfs/dbraw/zinc/29/20/95/583292095.db2.gz GVOFLYMAMLHLSI-ZETCQYMHSA-N 1 2 242.120 1.626 20 30 BDEDLO C=CCC[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894112626 583308698 /nfs/dbraw/zinc/30/86/98/583308698.db2.gz IKEJBGRNCHEZAZ-WDEREUQCSA-N 1 2 236.315 1.874 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(=O)OC ZINC000877584079 583337576 /nfs/dbraw/zinc/33/75/76/583337576.db2.gz WVPVKGZIJVBWQK-QWRGUYRKSA-N 1 2 239.315 1.099 20 30 BDEDLO C=CCCCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000894260089 583398109 /nfs/dbraw/zinc/39/81/09/583398109.db2.gz AQAIDGYBODLILG-UHFFFAOYSA-N 1 2 236.319 1.576 20 30 BDEDLO CC1(C)C[C@@H](O)C[N@H+](Cc2ccncc2C#N)C1 ZINC000879624617 583442034 /nfs/dbraw/zinc/44/20/34/583442034.db2.gz YARJNEYZUSBDQN-CYBMUJFWSA-N 1 2 245.326 1.546 20 30 BDEDLO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000879624617 583442036 /nfs/dbraw/zinc/44/20/36/583442036.db2.gz YARJNEYZUSBDQN-CYBMUJFWSA-N 1 2 245.326 1.546 20 30 BDEDLO N#CC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894487028 583471364 /nfs/dbraw/zinc/47/13/64/583471364.db2.gz OQFCXDHZJMIUGC-LLVKDONJSA-N 1 2 241.298 1.859 20 30 BDEDLO N#CC1(CNc2cc[nH+]cc2CO)CCCCC1 ZINC000894582536 583488445 /nfs/dbraw/zinc/48/84/45/583488445.db2.gz XYKXDFYEWAAQRN-UHFFFAOYSA-N 1 2 245.326 1.882 20 30 BDEDLO C(#Cc1ccccc1)C[NH2+][C@H]1CCn2ccnc21 ZINC000894668197 583503417 /nfs/dbraw/zinc/50/34/17/583503417.db2.gz LDAGCFJMIUHNMA-AWEZNQCLSA-N 1 2 237.306 1.969 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC000894912261 583555043 /nfs/dbraw/zinc/55/50/43/583555043.db2.gz CKMOUZYCPJWFTD-LLVKDONJSA-N 1 2 246.314 1.117 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cnccn1 ZINC000895025050 583570840 /nfs/dbraw/zinc/57/08/40/583570840.db2.gz GUJVOXHPXOGUAN-SNVBAGLBSA-N 1 2 216.288 1.821 20 30 BDEDLO Cc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)o1 ZINC000895068377 583578821 /nfs/dbraw/zinc/57/88/21/583578821.db2.gz WXFOTYPLNRZTGF-UHFFFAOYSA-N 1 2 247.298 1.146 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)[C@@H]1CCCO1 ZINC000794498061 583600559 /nfs/dbraw/zinc/60/05/59/583600559.db2.gz JRHQXFMQQCMWGW-MNOVXSKESA-N 1 2 248.330 1.199 20 30 BDEDLO C#CCCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887691 588921254 /nfs/dbraw/zinc/92/12/54/588921254.db2.gz TWUCRLXXKQJYJZ-LBPRGKRZSA-N 1 2 245.326 1.508 20 30 BDEDLO C#CC1(F)CN(CCCc2ccc(C)[nH+]c2)C1 ZINC000895616025 583696756 /nfs/dbraw/zinc/69/67/56/583696756.db2.gz NRMQSZPCBUZJSL-UHFFFAOYSA-N 1 2 232.302 1.980 20 30 BDEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)CCO)C(=O)OCC ZINC000895700592 583709654 /nfs/dbraw/zinc/70/96/54/583709654.db2.gz WBEOQIWQNDPHAR-UWVGGRQHSA-N 1 2 249.738 1.421 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942790 588924193 /nfs/dbraw/zinc/92/41/93/588924193.db2.gz YZCUVYONMQTKKK-NSHDSACASA-N 1 2 245.326 1.364 20 30 BDEDLO C#CC[N@H+](Cc1ccco1)C1CSC1 ZINC000895814260 583733517 /nfs/dbraw/zinc/73/35/17/583733517.db2.gz PHMGBXASEARJQJ-UHFFFAOYSA-N 1 2 207.298 1.830 20 30 BDEDLO C#CC[N@@H+](Cc1ccco1)C1CSC1 ZINC000895814260 583733518 /nfs/dbraw/zinc/73/35/18/583733518.db2.gz PHMGBXASEARJQJ-UHFFFAOYSA-N 1 2 207.298 1.830 20 30 BDEDLO C=CCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984518 588928767 /nfs/dbraw/zinc/92/87/67/588928767.db2.gz JMGPCXUAYNORFK-VIFPVBQESA-N 1 2 205.261 1.410 20 30 BDEDLO CCOCCOCCNc1cc(C)[nH+]cc1C#N ZINC000896480276 583805566 /nfs/dbraw/zinc/80/55/66/583805566.db2.gz CHJPNJHVJZAXBN-UHFFFAOYSA-N 1 2 249.314 1.149 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H](C)CC#N)CCN2 ZINC000858002592 588930719 /nfs/dbraw/zinc/93/07/19/588930719.db2.gz WXRCAMCMLCNZBE-SNVBAGLBSA-N 1 2 244.298 1.698 20 30 BDEDLO Cc1ccc(O[C@@H]2CC[N@H+](CCC#N)C2)nc1 ZINC000858032014 588930760 /nfs/dbraw/zinc/93/07/60/588930760.db2.gz JCYIWMAANBFRTA-GFCCVEGCSA-N 1 2 231.299 1.757 20 30 BDEDLO Cc1ccc(O[C@@H]2CC[N@@H+](CCC#N)C2)nc1 ZINC000858032014 588930761 /nfs/dbraw/zinc/93/07/61/588930761.db2.gz JCYIWMAANBFRTA-GFCCVEGCSA-N 1 2 231.299 1.757 20 30 BDEDLO CCn1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000896500726 583807082 /nfs/dbraw/zinc/80/70/82/583807082.db2.gz JDUPFQDOIPPVSZ-LBPRGKRZSA-N 1 2 232.331 1.947 20 30 BDEDLO CCn1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000896500726 583807083 /nfs/dbraw/zinc/80/70/83/583807083.db2.gz JDUPFQDOIPPVSZ-LBPRGKRZSA-N 1 2 232.331 1.947 20 30 BDEDLO CCc1cc(NCc2nc(C#N)cs2)nc[nH+]1 ZINC000896929978 583860666 /nfs/dbraw/zinc/86/06/66/583860666.db2.gz ISQVSHSIGJPDMV-UHFFFAOYSA-N 1 2 245.311 1.979 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000897167970 583887163 /nfs/dbraw/zinc/88/71/63/583887163.db2.gz YPHFYTIVLPAMRX-SECBINFHSA-N 1 2 224.329 1.652 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000897167970 583887165 /nfs/dbraw/zinc/88/71/65/583887165.db2.gz YPHFYTIVLPAMRX-SECBINFHSA-N 1 2 224.329 1.652 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccnn1CCCOC ZINC000897167944 583887583 /nfs/dbraw/zinc/88/75/83/583887583.db2.gz XJDXJCLOXNVDCV-UHFFFAOYSA-N 1 2 235.331 1.375 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccnn1CCCOC ZINC000897167944 583887584 /nfs/dbraw/zinc/88/75/84/583887584.db2.gz XJDXJCLOXNVDCV-UHFFFAOYSA-N 1 2 235.331 1.375 20 30 BDEDLO CCn1c[nH+]cc1CN1CCO[C@@](C)(C#N)C1 ZINC000897586528 584022692 /nfs/dbraw/zinc/02/26/92/584022692.db2.gz PMAWOYINCCXYOQ-LBPRGKRZSA-N 1 2 234.303 1.017 20 30 BDEDLO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)o1 ZINC000897625364 584032350 /nfs/dbraw/zinc/03/23/50/584032350.db2.gz BELCVSYXXWUCBJ-UHFFFAOYSA-N 1 2 249.295 1.906 20 30 BDEDLO CCC[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC000897834070 584052520 /nfs/dbraw/zinc/05/25/20/584052520.db2.gz GUDRMRMREXJFSI-GMTAPVOTSA-N 1 2 224.304 1.610 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccnc1 ZINC000730095559 584123170 /nfs/dbraw/zinc/12/31/70/584123170.db2.gz LUIDJPWLHLLZBP-LBPRGKRZSA-N 1 2 229.283 1.118 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccnc1 ZINC000730095559 584123173 /nfs/dbraw/zinc/12/31/73/584123173.db2.gz LUIDJPWLHLLZBP-LBPRGKRZSA-N 1 2 229.283 1.118 20 30 BDEDLO C=CC[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898629810 584147309 /nfs/dbraw/zinc/14/73/09/584147309.db2.gz TYGIIQVBGRRUOA-SECBINFHSA-N 1 2 222.292 1.184 20 30 BDEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)co1 ZINC000898810379 584160017 /nfs/dbraw/zinc/16/00/17/584160017.db2.gz LYNGVRMYHZHLRJ-SNVBAGLBSA-N 1 2 242.238 1.223 20 30 BDEDLO N#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000900777453 584349626 /nfs/dbraw/zinc/34/96/26/584349626.db2.gz OFXKENZVCDCYPT-UHFFFAOYSA-N 1 2 232.287 1.247 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc[nH+]c(C2CC2)n1 ZINC000858859584 588979732 /nfs/dbraw/zinc/97/97/32/588979732.db2.gz QZOVHFPQSSDBCK-NSHDSACASA-N 1 2 231.299 1.804 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc[nH+]c2ccncc12 ZINC000858860706 588979752 /nfs/dbraw/zinc/97/97/52/588979752.db2.gz QNKSDGZVYSOCNE-NSHDSACASA-N 1 2 241.294 1.502 20 30 BDEDLO CC(=NNc1ccnn1C)c1cn(C)c(C)[nH+]1 ZINC000901221942 584410992 /nfs/dbraw/zinc/41/09/92/584410992.db2.gz YVHHUIPMMNHQGA-UHFFFAOYSA-N 1 2 232.291 1.298 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNC1C[C@H](C)O[C@@H](C)C1 ZINC000901307609 584420645 /nfs/dbraw/zinc/42/06/45/584420645.db2.gz NONAXATUFWEQMU-IUCAKERBSA-N 1 2 236.319 1.598 20 30 BDEDLO C(CC[C@H]1CCO1)=[NH+]n1nnc2c1CCCC2 ZINC000901328419 584423687 /nfs/dbraw/zinc/42/36/87/584423687.db2.gz CGDHGZHIDVOVAV-JTQLQIEISA-N 1 2 234.303 1.560 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@@H]1CCCC[C@H]1O ZINC000901334292 584426533 /nfs/dbraw/zinc/42/65/33/584426533.db2.gz JDEMDFWOVSVELN-VXGBXAGGSA-N 1 2 236.319 1.130 20 30 BDEDLO CC#CCCNC(=O)CNc1cccc[nH+]1 ZINC000901358622 584432524 /nfs/dbraw/zinc/43/25/24/584432524.db2.gz YPBLXFKPFCTSLV-UHFFFAOYSA-N 1 2 217.272 1.023 20 30 BDEDLO Cc1nn(C)c(C)c1C(=O)/C=C\c1c[nH+]cn1C ZINC000901464581 584451469 /nfs/dbraw/zinc/45/14/69/584451469.db2.gz KWKJKKMCEIHFLA-WAYWQWQTSA-N 1 2 244.298 1.667 20 30 BDEDLO Cn1c[nH+]c(/C=C2/CCn3ccnc3C2=O)c1 ZINC000901535467 584460160 /nfs/dbraw/zinc/46/01/60/584460160.db2.gz NGONEJPBRQHHPN-TWGQIWQCSA-N 1 2 228.255 1.287 20 30 BDEDLO Cn1c[nH+]c(/C=C2\CCn3ccnc3C2=O)c1 ZINC000901535466 584460318 /nfs/dbraw/zinc/46/03/18/584460318.db2.gz NGONEJPBRQHHPN-RMKNXTFCSA-N 1 2 228.255 1.287 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902227823 584541960 /nfs/dbraw/zinc/54/19/60/584541960.db2.gz CNSYBYHHUGNFMM-NEPJUHHUSA-N 1 2 238.331 1.089 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902227823 584541964 /nfs/dbraw/zinc/54/19/64/584541964.db2.gz CNSYBYHHUGNFMM-NEPJUHHUSA-N 1 2 238.331 1.089 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](CN2CCOC2=O)C1 ZINC000902312377 584555207 /nfs/dbraw/zinc/55/52/07/584555207.db2.gz REOZFDXMGBKKLI-SNVBAGLBSA-N 1 2 223.276 1.022 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](CN2CCOC2=O)C1 ZINC000902312377 584555208 /nfs/dbraw/zinc/55/52/08/584555208.db2.gz REOZFDXMGBKKLI-SNVBAGLBSA-N 1 2 223.276 1.022 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn(CC)cn1)[C@H]1CCCO1 ZINC000902487472 584626878 /nfs/dbraw/zinc/62/68/78/584626878.db2.gz HBDVSGBSQZOQNL-QWHCGFSZSA-N 1 2 233.315 1.173 20 30 BDEDLO CC(C)OCC(N)=[NH+]OCc1cc(C#N)ccn1 ZINC000902702291 584658666 /nfs/dbraw/zinc/65/86/66/584658666.db2.gz TWMWCDSQWSHASG-UHFFFAOYSA-N 1 2 248.286 1.377 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903002152 584716418 /nfs/dbraw/zinc/71/64/18/584716418.db2.gz WXYAKZYQMPZKKW-UWVGGRQHSA-N 1 2 214.284 1.111 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903002152 584716419 /nfs/dbraw/zinc/71/64/19/584716419.db2.gz WXYAKZYQMPZKKW-UWVGGRQHSA-N 1 2 214.284 1.111 20 30 BDEDLO C[C@@H]([NH2+]C[C@H]1CCN1C)c1cccc(C#N)c1O ZINC000903317927 584750446 /nfs/dbraw/zinc/75/04/46/584750446.db2.gz XAMJRMFAGIQONQ-ZYHUDNBSSA-N 1 2 245.326 1.619 20 30 BDEDLO C[C@H]([NH2+]C[C@H]1CCN1C)c1cccc(C#N)c1O ZINC000903317924 584750534 /nfs/dbraw/zinc/75/05/34/584750534.db2.gz XAMJRMFAGIQONQ-CMPLNLGQSA-N 1 2 245.326 1.619 20 30 BDEDLO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc(C#N)c1O ZINC000903394104 584757154 /nfs/dbraw/zinc/75/71/54/584757154.db2.gz ZKGLWXNWNRYRRF-GBIKHYSHSA-N 1 2 246.310 1.949 20 30 BDEDLO N#CC1CCC(CN2CC=CC[NH2+]2)CC1 ZINC000903491123 584780829 /nfs/dbraw/zinc/78/08/29/584780829.db2.gz WKMIXQPXGVPPKX-UHFFFAOYSA-N 1 2 205.305 1.693 20 30 BDEDLO CCCCN(O)C(=O)CCc1[nH]cc[nH+]1 ZINC000904213484 584855679 /nfs/dbraw/zinc/85/56/79/584855679.db2.gz QSWRLEXTQMBTDK-UHFFFAOYSA-N 1 2 211.265 1.360 20 30 BDEDLO C#CCCOC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000859180494 589015014 /nfs/dbraw/zinc/01/50/14/589015014.db2.gz HPODZQRHPXCDKZ-ZJUUUORDSA-N 1 2 233.271 1.638 20 30 BDEDLO C=C1CC[NH+](CCS(=O)(=O)CCC)CC1 ZINC000731032390 584921604 /nfs/dbraw/zinc/92/16/04/584921604.db2.gz IRLLMTKKBBCJLF-UHFFFAOYSA-N 1 2 231.361 1.463 20 30 BDEDLO O=C1c2ccc(O)cc2O/C1=C\c1[nH]cc[nH+]1 ZINC000731156244 584922902 /nfs/dbraw/zinc/92/29/02/584922902.db2.gz BXZQABBYOHBAEH-POHAHGRESA-N 1 2 228.207 1.732 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(F)(F)F ZINC000732060952 584933430 /nfs/dbraw/zinc/93/34/30/584933430.db2.gz CTCDNVWGBBRBTH-VIFPVBQESA-N 1 2 248.248 1.105 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(F)(F)F ZINC000732060952 584933431 /nfs/dbraw/zinc/93/34/31/584933431.db2.gz CTCDNVWGBBRBTH-VIFPVBQESA-N 1 2 248.248 1.105 20 30 BDEDLO COC1C[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000839127277 585093292 /nfs/dbraw/zinc/09/32/92/585093292.db2.gz BMMMHDNYMBJTNQ-NSHDSACASA-N 1 2 246.310 1.808 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)OC ZINC000839167091 585095222 /nfs/dbraw/zinc/09/52/22/585095222.db2.gz CLZQZYDWEJNKET-LPWJVIDDSA-N 1 2 237.343 1.966 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C(=O)OC ZINC000839167124 585095312 /nfs/dbraw/zinc/09/53/12/585095312.db2.gz CETIQMHKICDUOV-TUAOUCFPSA-N 1 2 221.300 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CC1CCC1)C(=O)OC ZINC000839166929 585095362 /nfs/dbraw/zinc/09/53/62/585095362.db2.gz BHHWDSUTUZTVRV-ZYHUDNBSSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1cc(C)ccc1O)C(=O)OC ZINC000839166689 585095395 /nfs/dbraw/zinc/09/53/95/585095395.db2.gz QCIRJMHCJVOVDB-LBPRGKRZSA-N 1 2 247.294 1.355 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CC1CCC1)C(=O)OC ZINC000839166928 585095423 /nfs/dbraw/zinc/09/54/23/585095423.db2.gz BHHWDSUTUZTVRV-PWSUYJOCSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](CCCC)COC)C(=O)OC ZINC000839166975 585095496 /nfs/dbraw/zinc/09/54/96/585095496.db2.gz CARDPTPQGXCTDI-NWDGAFQWSA-N 1 2 241.331 1.346 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(=O)OC ZINC000839168753 585095574 /nfs/dbraw/zinc/09/55/74/585095574.db2.gz NYXJIRKGICBCPI-SRVKXCTJSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)OC ZINC000839168349 585095678 /nfs/dbraw/zinc/09/56/78/585095678.db2.gz JTLIMFOWKUUSTQ-QWRGUYRKSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](COC)CC(C)C)C(=O)OC ZINC000839170274 585095948 /nfs/dbraw/zinc/09/59/48/585095948.db2.gz YFNNCQNCMCSFCX-VXGBXAGGSA-N 1 2 241.331 1.202 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000839170138 585095971 /nfs/dbraw/zinc/09/59/71/585095971.db2.gz YASACHJTXXTVKU-TUAOUCFPSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](C)CCC)C(=O)OC ZINC000839169906 585096056 /nfs/dbraw/zinc/09/60/56/585096056.db2.gz VDCLBQXYQHSRAH-QWRGUYRKSA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CC(C)C)C(=O)OC ZINC000839169502 585096116 /nfs/dbraw/zinc/09/61/16/585096116.db2.gz SRSBLNQANUTRRE-QWRGUYRKSA-N 1 2 211.305 1.576 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)CCCCCC ZINC000839199355 585099372 /nfs/dbraw/zinc/09/93/72/585099372.db2.gz IRYOMNDXPDSBDN-KBPBESRZSA-N 1 2 239.359 1.652 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)CCCCCC ZINC000839199355 585099373 /nfs/dbraw/zinc/09/93/73/585099373.db2.gz IRYOMNDXPDSBDN-KBPBESRZSA-N 1 2 239.359 1.652 20 30 BDEDLO C#CCO[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839235294 585100527 /nfs/dbraw/zinc/10/05/27/585100527.db2.gz HYULHFVMRKXZPD-LBPRGKRZSA-N 1 2 246.310 1.984 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000742670630 585129710 /nfs/dbraw/zinc/12/97/10/585129710.db2.gz MLSNEUIPDUIEGR-SEYXRHQNSA-N 1 2 248.370 1.756 20 30 BDEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC000886355889 585134173 /nfs/dbraw/zinc/13/41/73/585134173.db2.gz PGIWDYODTJYDMA-SNVBAGLBSA-N 1 2 219.288 1.477 20 30 BDEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC000886355889 585134174 /nfs/dbraw/zinc/13/41/74/585134174.db2.gz PGIWDYODTJYDMA-SNVBAGLBSA-N 1 2 219.288 1.477 20 30 BDEDLO CC#CCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000745000908 585155152 /nfs/dbraw/zinc/15/51/52/585155152.db2.gz RRCZCAGUGHHFHZ-UHFFFAOYSA-N 1 2 242.278 1.752 20 30 BDEDLO CCC(CC)N[NH+]=Cc1c(N)ncnc1OC ZINC000747631959 585181442 /nfs/dbraw/zinc/18/14/42/585181442.db2.gz YXYQIBIPFGDKTR-UHFFFAOYSA-N 1 2 237.307 1.180 20 30 BDEDLO COC[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000747864515 585185217 /nfs/dbraw/zinc/18/52/17/585185217.db2.gz NZBPGOWNPBPUTN-MRVPVSSYSA-N 1 2 226.251 1.498 20 30 BDEDLO C#CC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000753969351 585274013 /nfs/dbraw/zinc/27/40/13/585274013.db2.gz YERPOLYQUPMKKW-UHFFFAOYSA-N 1 2 241.294 1.484 20 30 BDEDLO Cc1cc(C)nc(N=NCc2c[nH+]c[nH]2)n1 ZINC000755456307 585299945 /nfs/dbraw/zinc/29/99/45/585299945.db2.gz UXJWTLLSNWWNCV-UHFFFAOYSA-N 1 2 216.248 1.263 20 30 BDEDLO Cc1cc(C)nc(N=NCc2c[nH]c[nH+]2)n1 ZINC000755456307 585299946 /nfs/dbraw/zinc/29/99/46/585299946.db2.gz UXJWTLLSNWWNCV-UHFFFAOYSA-N 1 2 216.248 1.263 20 30 BDEDLO CNC(=S)NN=Cc1c[nH+]c2c(C)cccn12 ZINC000755471454 585300391 /nfs/dbraw/zinc/30/03/91/585300391.db2.gz JHHJDPDTLVIRAY-UHFFFAOYSA-N 1 2 247.327 1.071 20 30 BDEDLO CCC1N=NC(=S)N1N=Cc1[nH+]c[nH]c1C ZINC000755508878 585300996 /nfs/dbraw/zinc/30/09/96/585300996.db2.gz UEIOUZWLIQWEAX-UHFFFAOYSA-N 1 2 236.304 1.043 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCc1cccc(F)c1 ZINC000755651782 585303569 /nfs/dbraw/zinc/30/35/69/585303569.db2.gz NSMDEZFRQIKTMY-UHFFFAOYSA-N 1 2 232.262 1.981 20 30 BDEDLO CC(C)c1nc(C#N)c(N=NCc2c[nH+]c[nH]2)o1 ZINC000755672896 585304043 /nfs/dbraw/zinc/30/40/43/585304043.db2.gz DIFYHRVAFBEGLL-UHFFFAOYSA-N 1 2 244.258 1.839 20 30 BDEDLO CC(C)c1nc(C#N)c(N=NCc2c[nH]c[nH+]2)o1 ZINC000755672896 585304044 /nfs/dbraw/zinc/30/40/44/585304044.db2.gz DIFYHRVAFBEGLL-UHFFFAOYSA-N 1 2 244.258 1.839 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1cccnn1 ZINC000755733665 585305236 /nfs/dbraw/zinc/30/52/36/585305236.db2.gz REEWYDNLSZHOQO-UHFFFAOYSA-N 1 2 216.248 1.139 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000839537492 585329927 /nfs/dbraw/zinc/32/99/27/585329927.db2.gz ZLJJHYPLYIWMFT-ZCFIWIBFSA-N 1 2 217.618 1.594 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000839537492 585329928 /nfs/dbraw/zinc/32/99/28/585329928.db2.gz ZLJJHYPLYIWMFT-ZCFIWIBFSA-N 1 2 217.618 1.594 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000839594295 585331368 /nfs/dbraw/zinc/33/13/68/585331368.db2.gz OKWSRRPWJQNGRY-RKDXNWHRSA-N 1 2 218.247 1.645 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000839594295 585331369 /nfs/dbraw/zinc/33/13/69/585331369.db2.gz OKWSRRPWJQNGRY-RKDXNWHRSA-N 1 2 218.247 1.645 20 30 BDEDLO C=C(Cl)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000839606042 585331788 /nfs/dbraw/zinc/33/17/88/585331788.db2.gz ZLPKUDDDJQDMBF-LBPRGKRZSA-N 1 2 241.718 1.942 20 30 BDEDLO C#CCNC(=S)Nc1ccc(C)[nH+]c1C ZINC000758248512 585352852 /nfs/dbraw/zinc/35/28/52/585352852.db2.gz UWZCVXLUDQXNAC-UHFFFAOYSA-N 1 2 219.313 1.618 20 30 BDEDLO C#CCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000760349625 585391004 /nfs/dbraw/zinc/39/10/04/585391004.db2.gz CSIFBVAIPOJDOL-UHFFFAOYSA-N 1 2 224.210 1.835 20 30 BDEDLO C#CCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000760518885 585393554 /nfs/dbraw/zinc/39/35/54/585393554.db2.gz YYPDRUKARKSTBW-LLVKDONJSA-N 1 2 231.299 1.118 20 30 BDEDLO N#CCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000763243631 585445062 /nfs/dbraw/zinc/44/50/62/585445062.db2.gz XDEJUDHPPPWVNM-UHFFFAOYSA-N 1 2 227.227 1.119 20 30 BDEDLO CC#CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000766060466 585497083 /nfs/dbraw/zinc/49/70/83/585497083.db2.gz XJNBCOBEKNEBNR-UHFFFAOYSA-N 1 2 206.220 1.486 20 30 BDEDLO C=C(Cl)CNC(=O)Nc1cc[nH+]cc1C ZINC000767900829 585527801 /nfs/dbraw/zinc/52/78/01/585527801.db2.gz ZELZHMWZJGAHAR-UHFFFAOYSA-N 1 2 225.679 1.686 20 30 BDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C/C=C\Cl)CC1 ZINC000767898932 585527911 /nfs/dbraw/zinc/52/79/11/585527911.db2.gz ILFPJBFFIKFCJW-VSQXVHSFSA-N 1 2 241.766 1.905 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(OCC)n1 ZINC000769452616 585557318 /nfs/dbraw/zinc/55/73/18/585557318.db2.gz ZXHJPNJLYJDNBB-UHFFFAOYSA-N 1 2 242.322 1.939 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(OCC)n1 ZINC000769452616 585557319 /nfs/dbraw/zinc/55/73/19/585557319.db2.gz ZXHJPNJLYJDNBB-UHFFFAOYSA-N 1 2 242.322 1.939 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC000769977252 585568212 /nfs/dbraw/zinc/56/82/12/585568212.db2.gz BVJAQTIBIJXTCP-SNVBAGLBSA-N 1 2 232.283 1.284 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC000769977252 585568213 /nfs/dbraw/zinc/56/82/13/585568213.db2.gz BVJAQTIBIJXTCP-SNVBAGLBSA-N 1 2 232.283 1.284 20 30 BDEDLO CN(C)C(=S)NN=Cc1cccc2[nH+]ccn21 ZINC000771099741 585590257 /nfs/dbraw/zinc/59/02/57/585590257.db2.gz FPWDRDKWUSHOPS-UHFFFAOYSA-N 1 2 247.327 1.104 20 30 BDEDLO CC(C)CNN=Cc1cccc2[nH+]ccn21 ZINC000771568341 585596440 /nfs/dbraw/zinc/59/64/40/585596440.db2.gz ZBDWILOKQVFRRW-UHFFFAOYSA-N 1 2 216.288 1.914 20 30 BDEDLO C#CCCCO[NH+]=C(N)Cc1cccnc1 ZINC000771673980 585598943 /nfs/dbraw/zinc/59/89/43/585598943.db2.gz JJWIPRGQGYDUHE-UHFFFAOYSA-N 1 2 217.272 1.536 20 30 BDEDLO N#Cc1ccc2c(c1)NC(=O)/C2=C/c1[nH]cc[nH+]1 ZINC000773162764 585632663 /nfs/dbraw/zinc/63/26/63/585632663.db2.gz VXTDIUKXFJCALD-UXBLZVDNSA-N 1 2 236.234 1.774 20 30 BDEDLO C[C@@H](CC#N)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000775637745 585682090 /nfs/dbraw/zinc/68/20/90/585682090.db2.gz XHAAMELADRHILG-VIFPVBQESA-N 1 2 243.270 1.758 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nc(C)no1)[C@H]1CCCO1 ZINC000775795694 585685111 /nfs/dbraw/zinc/68/51/11/585685111.db2.gz PJRIKOIFKLVNPD-DVVUODLYSA-N 1 2 235.287 1.209 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C(C)C ZINC000300891769 585702753 /nfs/dbraw/zinc/70/27/53/585702753.db2.gz JZKQHDTWLMPCSN-MNOVXSKESA-N 1 2 225.332 1.964 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000777061362 585707878 /nfs/dbraw/zinc/70/78/78/585707878.db2.gz DZUOJTHVTVKWDB-JTQLQIEISA-N 1 2 242.282 1.756 20 30 BDEDLO C=C(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000778122458 585725943 /nfs/dbraw/zinc/72/59/43/585725943.db2.gz PNGHMZPPYPLUFN-UHFFFAOYSA-N 1 2 229.283 1.982 20 30 BDEDLO N#Cc1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000779429653 585754990 /nfs/dbraw/zinc/75/49/90/585754990.db2.gz VJNIHZXFFNGWNU-JTQLQIEISA-N 1 2 240.270 1.413 20 30 BDEDLO C#CCCO[NH+]=C(N)COc1ccccc1F ZINC000780135548 585773042 /nfs/dbraw/zinc/77/30/42/585773042.db2.gz FJCLCQLLULYKSN-UHFFFAOYSA-N 1 2 236.246 1.726 20 30 BDEDLO C#CCC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000780319256 585777842 /nfs/dbraw/zinc/77/78/42/585777842.db2.gz VRJFMOSYASGUKJ-CYBMUJFWSA-N 1 2 231.295 1.384 20 30 BDEDLO CC[C@H](C#N)OC(=O)c1ccc(C)[nH+]c1NC ZINC000781160432 585791852 /nfs/dbraw/zinc/79/18/52/585791852.db2.gz PMBNRWGJMDUMGF-SECBINFHSA-N 1 2 233.271 1.891 20 30 BDEDLO O=C(NO)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000782170063 585808943 /nfs/dbraw/zinc/80/89/43/585808943.db2.gz UZDNJEHAVOPARK-NSHDSACASA-N 1 2 238.262 1.296 20 30 BDEDLO O=C(NO)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000782170063 585808944 /nfs/dbraw/zinc/80/89/44/585808944.db2.gz UZDNJEHAVOPARK-NSHDSACASA-N 1 2 238.262 1.296 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1ccc(C#N)c(C)c1 ZINC000783040524 585827314 /nfs/dbraw/zinc/82/73/14/585827314.db2.gz SKEBCCLVGPAGGN-SNVBAGLBSA-N 1 2 247.298 1.900 20 30 BDEDLO Oc1cccc(/C=[NH+]/CC[C@@H]2CCOC2)c1O ZINC000783685974 585839791 /nfs/dbraw/zinc/83/97/91/585839791.db2.gz SRDZUTIKNCNUJQ-WWNSAXIVSA-N 1 2 235.283 1.943 20 30 BDEDLO C=CC[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785510843 585875062 /nfs/dbraw/zinc/87/50/62/585875062.db2.gz QWQVERSXWBXJLH-UHFFFAOYSA-N 1 2 217.272 1.113 20 30 BDEDLO C=CC[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785510843 585875063 /nfs/dbraw/zinc/87/50/63/585875063.db2.gz QWQVERSXWBXJLH-UHFFFAOYSA-N 1 2 217.272 1.113 20 30 BDEDLO N#CCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000785818903 585881441 /nfs/dbraw/zinc/88/14/41/585881441.db2.gz HUBCNFAXIPZKGR-UHFFFAOYSA-N 1 2 229.243 1.369 20 30 BDEDLO C#CCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787370405 585907881 /nfs/dbraw/zinc/90/78/81/585907881.db2.gz UDKQSPIXEZBGOJ-SECBINFHSA-N 1 2 203.232 1.102 20 30 BDEDLO C#CCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787370405 585907882 /nfs/dbraw/zinc/90/78/82/585907882.db2.gz UDKQSPIXEZBGOJ-SECBINFHSA-N 1 2 203.232 1.102 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncnn1C(C)C)[C@H]1CCCO1 ZINC000789306530 585939381 /nfs/dbraw/zinc/93/93/81/585939381.db2.gz JWAGDGXZMKILQV-NWDGAFQWSA-N 1 2 248.330 1.129 20 30 BDEDLO COc1cc(C)nc(N=NC(C)c2[nH]cc[nH+]2)n1 ZINC000790167113 585959014 /nfs/dbraw/zinc/95/90/14/585959014.db2.gz KYOCTVLJDVTWIW-UHFFFAOYSA-N 1 2 246.274 1.353 20 30 BDEDLO CC(N=Nc1ncncc1Cl)c1[nH]cc[nH+]1 ZINC000790176904 585959491 /nfs/dbraw/zinc/95/94/91/585959491.db2.gz VFNWZHPSBKEAQI-UHFFFAOYSA-N 1 2 236.666 1.689 20 30 BDEDLO COc1ccc(O)c(C=NNc2[nH+]ccn2C)c1 ZINC000790302399 585963061 /nfs/dbraw/zinc/96/30/61/585963061.db2.gz RXOXFWLGJGRFJJ-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CC[N+](=O)[O-] ZINC000791051415 585972670 /nfs/dbraw/zinc/97/26/70/585972670.db2.gz CQKWCGYEJKBDOE-UHFFFAOYSA-N 1 2 213.281 1.525 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CC[N+](=O)[O-] ZINC000791051415 585972671 /nfs/dbraw/zinc/97/26/71/585972671.db2.gz CQKWCGYEJKBDOE-UHFFFAOYSA-N 1 2 213.281 1.525 20 30 BDEDLO CC1(C[NH2+]NC2=CC(=O)N3CCC[C@@H]23)CCCC1 ZINC000793084350 586010074 /nfs/dbraw/zinc/01/00/74/586010074.db2.gz MNQZDAWHOOGGEC-LBPRGKRZSA-N 1 2 249.358 1.907 20 30 BDEDLO Fc1cccnc1N=NCc1[nH]cc[nH+]1 ZINC000794979967 586061012 /nfs/dbraw/zinc/06/10/12/586061012.db2.gz BDQMIFNKHLWPQE-UHFFFAOYSA-N 1 2 205.196 1.390 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ncccc2F)c1 ZINC000794981051 586061103 /nfs/dbraw/zinc/06/11/03/586061103.db2.gz SOLJYYGOWYJDFQ-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO Nc1ncccc1C=[NH+]Nc1cccc(F)n1 ZINC000795008187 586065062 /nfs/dbraw/zinc/06/50/62/586065062.db2.gz XVBRHKMSZLCIHK-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO N#Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)o1 ZINC000796155164 586098409 /nfs/dbraw/zinc/09/84/09/586098409.db2.gz YZCHOJAICHNQRS-UHFFFAOYSA-N 1 2 243.222 1.485 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000796585165 586108027 /nfs/dbraw/zinc/10/80/27/586108027.db2.gz GTTSOSSJQRQORL-UWVGGRQHSA-N 1 2 248.273 1.271 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000796585165 586108028 /nfs/dbraw/zinc/10/80/28/586108028.db2.gz GTTSOSSJQRQORL-UWVGGRQHSA-N 1 2 248.273 1.271 20 30 BDEDLO CC1=CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000797822282 586132174 /nfs/dbraw/zinc/13/21/74/586132174.db2.gz MPFOYJJVBAJTQL-UHFFFAOYSA-N 1 2 229.283 1.329 20 30 BDEDLO CC1=CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000797822282 586132175 /nfs/dbraw/zinc/13/21/75/586132175.db2.gz MPFOYJJVBAJTQL-UHFFFAOYSA-N 1 2 229.283 1.329 20 30 BDEDLO O=C1C=C([NH2+]Nc2ccnc(F)c2)[C@H]2CCCN12 ZINC000799486106 586179755 /nfs/dbraw/zinc/17/97/55/586179755.db2.gz YKAZFMZZEDCOLZ-SNVBAGLBSA-N 1 2 248.261 1.383 20 30 BDEDLO CC(=NO[C@H]1CCCCO1)c1cn(C)c(C)[nH+]1 ZINC000800815412 586232484 /nfs/dbraw/zinc/23/24/84/586232484.db2.gz XTNVXGBFPBSRBZ-LBPRGKRZSA-N 1 2 237.303 1.996 20 30 BDEDLO CC#CCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562490 586263151 /nfs/dbraw/zinc/26/31/51/586263151.db2.gz ZZMGBDSHKWLXOG-VIFPVBQESA-N 1 2 203.232 1.366 20 30 BDEDLO CC#CCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562490 586263153 /nfs/dbraw/zinc/26/31/53/586263153.db2.gz ZZMGBDSHKWLXOG-VIFPVBQESA-N 1 2 203.232 1.366 20 30 BDEDLO C#CCCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337220 586392005 /nfs/dbraw/zinc/39/20/05/586392005.db2.gz XDQIYXVLAPXTMW-LBPRGKRZSA-N 1 2 245.326 1.508 20 30 BDEDLO C=CC[N@@H+](C)CN1Cc2cccnc2C1=O ZINC000840047694 586396261 /nfs/dbraw/zinc/39/62/61/586396261.db2.gz LXFOPMZHFMGVDR-UHFFFAOYSA-N 1 2 217.272 1.113 20 30 BDEDLO C=CC[N@H+](C)CN1Cc2cccnc2C1=O ZINC000840047694 586396262 /nfs/dbraw/zinc/39/62/62/586396262.db2.gz LXFOPMZHFMGVDR-UHFFFAOYSA-N 1 2 217.272 1.113 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000840169374 586503622 /nfs/dbraw/zinc/50/36/22/586503622.db2.gz YFHDKEOEXHJQOS-CQSZACIVSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000840169374 586503624 /nfs/dbraw/zinc/50/36/24/586503624.db2.gz YFHDKEOEXHJQOS-CQSZACIVSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CCCO1 ZINC000810152933 586536182 /nfs/dbraw/zinc/53/61/82/586536182.db2.gz HPMQAPARFYRYCB-MNOVXSKESA-N 1 2 247.323 1.285 20 30 BDEDLO C#CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810229639 586536816 /nfs/dbraw/zinc/53/68/16/586536816.db2.gz GPQQDUCKVYDVBV-UHFFFAOYSA-N 1 2 214.228 1.089 20 30 BDEDLO Cn1cc(C=[NH+]NCC2(C)CCCC2)c(=O)[nH]1 ZINC000814229079 586618534 /nfs/dbraw/zinc/61/85/34/586618534.db2.gz QQNVZHBAAJODTN-UHFFFAOYSA-N 1 2 236.319 1.630 20 30 BDEDLO C#CCCCNC(=O)NCc1c[nH+]ccc1OC ZINC000814307063 586621189 /nfs/dbraw/zinc/62/11/89/586621189.db2.gz SCYRBQGKINYNIN-UHFFFAOYSA-N 1 2 247.298 1.303 20 30 BDEDLO Cn1ncc(C=[NH+]Nc2ccc(C#N)cc2)c1N ZINC000814803487 586635831 /nfs/dbraw/zinc/63/58/31/586635831.db2.gz SNWQWWPWXQZMPY-UHFFFAOYSA-N 1 2 240.270 1.320 20 30 BDEDLO CC(N=Nc1ncc(F)cn1)c1ccc(N)[nH+]c1 ZINC000814889112 586643491 /nfs/dbraw/zinc/64/34/91/586643491.db2.gz ZRQZUNPWVGFWSL-UHFFFAOYSA-N 1 2 246.249 1.429 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccnc(F)c1 ZINC000814902211 586646723 /nfs/dbraw/zinc/64/67/23/586646723.db2.gz IXXQFJDYJFBEBR-UHFFFAOYSA-N 1 2 248.265 1.291 20 30 BDEDLO Cc1ccc2c(N[NH2+]C[C@@H](C)O)csc2c1 ZINC000814961592 586659906 /nfs/dbraw/zinc/65/99/06/586659906.db2.gz NFWZQRUYCUVSHR-SECBINFHSA-N 1 2 236.340 1.775 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000815615567 586689247 /nfs/dbraw/zinc/68/92/47/586689247.db2.gz RWEUGUATRSPUJI-UHFFFAOYSA-N 1 2 241.241 1.478 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000817409161 586801192 /nfs/dbraw/zinc/80/11/92/586801192.db2.gz AZLYTFIUAFGETO-ZETCQYMHSA-N 1 2 211.696 1.493 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1cnccn1 ZINC000819806399 586995826 /nfs/dbraw/zinc/99/58/26/586995826.db2.gz RMPXABSTCZVVEG-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000820434836 587048767 /nfs/dbraw/zinc/04/87/67/587048767.db2.gz ALJDAFSNNFWCEO-VXGBXAGGSA-N 1 2 246.314 1.251 20 30 BDEDLO C#CC[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000820580926 587055760 /nfs/dbraw/zinc/05/57/60/587055760.db2.gz HEXFDMUPDQZCEN-JTQLQIEISA-N 1 2 219.288 1.396 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821387192 587115351 /nfs/dbraw/zinc/11/53/51/587115351.db2.gz YITHCMKPHOMYDW-QWRGUYRKSA-N 1 2 233.315 1.526 20 30 BDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821387180 587115682 /nfs/dbraw/zinc/11/56/82/587115682.db2.gz YITHCMKPHOMYDW-GHMZBOCLSA-N 1 2 233.315 1.526 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822406039 587166001 /nfs/dbraw/zinc/16/60/01/587166001.db2.gz AOWOGNWNKRBSFT-OPRDCNLKSA-N 1 2 217.272 1.041 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822406039 587166003 /nfs/dbraw/zinc/16/60/03/587166003.db2.gz AOWOGNWNKRBSFT-OPRDCNLKSA-N 1 2 217.272 1.041 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822472780 587170125 /nfs/dbraw/zinc/17/01/25/587170125.db2.gz MLOTZZJHKLEQPX-STQMWFEESA-N 1 2 247.342 1.950 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)CC)CC1 ZINC000823305615 587215550 /nfs/dbraw/zinc/21/55/50/587215550.db2.gz KTZZQQMIBSNRDB-QXMHVHEDSA-N 1 2 220.316 1.120 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000823305854 587215685 /nfs/dbraw/zinc/21/56/85/587215685.db2.gz OBEAYACASMVZRR-HNNXBMFYSA-N 1 2 246.354 1.510 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823627736 587233318 /nfs/dbraw/zinc/23/33/18/587233318.db2.gz PDHPWJIVKFVVOY-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824232229 587261545 /nfs/dbraw/zinc/26/15/45/587261545.db2.gz GUUPQCNTFRDUQK-DJLDLDEBSA-N 1 2 221.260 1.136 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824232229 587261547 /nfs/dbraw/zinc/26/15/47/587261547.db2.gz GUUPQCNTFRDUQK-DJLDLDEBSA-N 1 2 221.260 1.136 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000824868504 587291085 /nfs/dbraw/zinc/29/10/85/587291085.db2.gz BJJSJRZVPHUNMB-QJPTWQEYSA-N 1 2 243.310 1.385 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000824868504 587291087 /nfs/dbraw/zinc/29/10/87/587291087.db2.gz BJJSJRZVPHUNMB-QJPTWQEYSA-N 1 2 243.310 1.385 20 30 BDEDLO CC(C)C#CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826003759 587348203 /nfs/dbraw/zinc/34/82/03/587348203.db2.gz VNNCKIWLBNMFHB-ZDUSSCGKSA-N 1 2 245.326 1.706 20 30 BDEDLO C#CC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000826714520 587359838 /nfs/dbraw/zinc/35/98/38/587359838.db2.gz BUZCVLOFAKHXIM-UHFFFAOYSA-N 1 2 201.273 1.635 20 30 BDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000827424202 587380822 /nfs/dbraw/zinc/38/08/22/587380822.db2.gz YGNJFPCIFUIIOQ-NEPJUHHUSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000827424202 587380821 /nfs/dbraw/zinc/38/08/21/587380821.db2.gz YGNJFPCIFUIIOQ-NEPJUHHUSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000827424205 587380936 /nfs/dbraw/zinc/38/09/36/587380936.db2.gz YGNJFPCIFUIIOQ-VXGBXAGGSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000827424205 587380937 /nfs/dbraw/zinc/38/09/37/587380937.db2.gz YGNJFPCIFUIIOQ-VXGBXAGGSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)OCCC ZINC000831678915 587627671 /nfs/dbraw/zinc/62/76/71/587627671.db2.gz LIZWJONDPDWDTJ-MXWKQRLJSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832329503 587654524 /nfs/dbraw/zinc/65/45/24/587654524.db2.gz FIJZHXKKCORDCY-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C=CCO[NH+]=C1CCCc2nc(N)ncc21 ZINC000835015619 587778544 /nfs/dbraw/zinc/77/85/44/587778544.db2.gz SDWMSFGSSOIDSS-UHFFFAOYSA-N 1 2 218.260 1.302 20 30 BDEDLO C=CCCCCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836404155 587832398 /nfs/dbraw/zinc/83/23/98/587832398.db2.gz YZBJRZMHTNZOPC-LLVKDONJSA-N 1 2 248.330 1.983 20 30 BDEDLO CC(NNc1cccn[nH+]1)=C1CC1(F)F ZINC000841627332 587961627 /nfs/dbraw/zinc/96/16/27/587961627.db2.gz XAHAKCJZXISHEZ-SSDOTTSWSA-N 1 2 212.203 1.920 20 30 BDEDLO Cc1cc(NCC2(C#N)CCC2)nc(N)[nH+]1 ZINC000842053236 587993416 /nfs/dbraw/zinc/99/34/16/587993416.db2.gz QFXTZNUHWVWXJM-UHFFFAOYSA-N 1 2 217.276 1.473 20 30 BDEDLO CCN(CCO)[NH+]=C(C)c1cc(N)ccc1F ZINC000842538935 588037125 /nfs/dbraw/zinc/03/71/25/588037125.db2.gz WGQFTTWNJLZGOK-UHFFFAOYSA-N 1 2 239.294 1.446 20 30 BDEDLO Cc1nc(C[NH2+]CCC#N)ccc1[C@@H](C)O ZINC000843107496 588081492 /nfs/dbraw/zinc/08/14/92/588081492.db2.gz QHPCOLMLWDNGDH-SNVBAGLBSA-N 1 2 219.288 1.447 20 30 BDEDLO Cc1nc(C[NH2+]CCC#N)ccc1[C@H](C)O ZINC000843107118 588081534 /nfs/dbraw/zinc/08/15/34/588081534.db2.gz QHPCOLMLWDNGDH-JTQLQIEISA-N 1 2 219.288 1.447 20 30 BDEDLO Oc1ccccc1/C=[NH+]/CC[C@@]1(O)CCCOC1 ZINC000844270771 588178369 /nfs/dbraw/zinc/17/83/69/588178369.db2.gz JVIJOAHTCMTEJN-GWQWUEFDSA-N 1 2 249.310 1.743 20 30 BDEDLO C/C=C(/CC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844528814 588200689 /nfs/dbraw/zinc/20/06/89/588200689.db2.gz ZHMWNJYKNBVNPO-GYGFLDJKSA-N 1 2 223.320 1.303 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C=C1CCC1 ZINC000844528340 588200917 /nfs/dbraw/zinc/20/09/17/588200917.db2.gz HPBJYKSKPQEIAK-LBPRGKRZSA-N 1 2 221.304 1.057 20 30 BDEDLO C[C@H](C#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278867 588225303 /nfs/dbraw/zinc/22/53/03/588225303.db2.gz WPCICTFMJIRXGY-DTWKUNHWSA-N 1 2 207.233 1.289 20 30 BDEDLO COCC#CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845281427 588225410 /nfs/dbraw/zinc/22/54/10/588225410.db2.gz HHQYBYGMGUTGJK-NSHDSACASA-N 1 2 236.271 1.027 20 30 BDEDLO C[C@H](CC(=O)O[C@@H](C)C#N)n1cc[nH+]c1 ZINC000845278866 588225579 /nfs/dbraw/zinc/22/55/79/588225579.db2.gz WPCICTFMJIRXGY-BDAKNGLRSA-N 1 2 207.233 1.289 20 30 BDEDLO C[C@H](CC(=O)OCCCC#N)n1cc[nH+]c1 ZINC000845281568 588225616 /nfs/dbraw/zinc/22/56/16/588225616.db2.gz PMOYEYUFSYUHRY-SNVBAGLBSA-N 1 2 221.260 1.681 20 30 BDEDLO C[C@H](CC(=O)OCC1(C#N)CC1)n1cc[nH+]c1 ZINC000845284482 588225715 /nfs/dbraw/zinc/22/57/15/588225715.db2.gz MDFVVKUXBRBSGX-SNVBAGLBSA-N 1 2 233.271 1.681 20 30 BDEDLO C=C[C@H](C)ONC(=O)NCc1[nH+]ccn1CC ZINC000845614899 588236299 /nfs/dbraw/zinc/23/62/99/588236299.db2.gz GPMIXDSOWWBSSE-VIFPVBQESA-N 1 2 238.291 1.208 20 30 BDEDLO CCN1C[C@H](C[N@H+](CC)C[C@H](C)C#N)OC1=O ZINC000846787320 588288390 /nfs/dbraw/zinc/28/83/90/588288390.db2.gz DTWSIMKLLCYCDB-MNOVXSKESA-N 1 2 239.319 1.309 20 30 BDEDLO CCN1C[C@H](C[N@@H+](CC)C[C@H](C)C#N)OC1=O ZINC000846787320 588288391 /nfs/dbraw/zinc/28/83/91/588288391.db2.gz DTWSIMKLLCYCDB-MNOVXSKESA-N 1 2 239.319 1.309 20 30 BDEDLO CON1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000846970565 588299271 /nfs/dbraw/zinc/29/92/71/588299271.db2.gz HFGPUYKWUSZHEJ-UHFFFAOYSA-N 1 2 231.299 1.237 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000847022580 588303435 /nfs/dbraw/zinc/30/34/35/588303435.db2.gz VBNCQDSNSDHDMU-NSHDSACASA-N 1 2 247.346 1.273 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000847022580 588303436 /nfs/dbraw/zinc/30/34/36/588303436.db2.gz VBNCQDSNSDHDMU-NSHDSACASA-N 1 2 247.346 1.273 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000847038884 588304749 /nfs/dbraw/zinc/30/47/49/588304749.db2.gz ZEBJJNWHCYXOOJ-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000847038884 588304750 /nfs/dbraw/zinc/30/47/50/588304750.db2.gz ZEBJJNWHCYXOOJ-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO Cc1cnc(C=NNCCCn2cc[nH+]c2)s1 ZINC000848416294 588381819 /nfs/dbraw/zinc/38/18/19/588381819.db2.gz GEYWWQNJFQEING-UHFFFAOYSA-N 1 2 249.343 1.662 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccncn1 ZINC000848416479 588381879 /nfs/dbraw/zinc/38/18/79/588381879.db2.gz MMLVODDMKYKJSR-UHFFFAOYSA-N 1 2 244.302 1.077 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccccn1 ZINC000848419663 588382943 /nfs/dbraw/zinc/38/29/43/588382943.db2.gz ASKWRXAAACUBOF-UHFFFAOYSA-N 1 2 243.314 1.682 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000848494510 588387894 /nfs/dbraw/zinc/38/78/94/588387894.db2.gz XTBVNWXFDRGXMN-SNVBAGLBSA-N 1 2 223.707 1.839 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000848494510 588387897 /nfs/dbraw/zinc/38/78/97/588387897.db2.gz XTBVNWXFDRGXMN-SNVBAGLBSA-N 1 2 223.707 1.839 20 30 BDEDLO C#CCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000848950476 588421928 /nfs/dbraw/zinc/42/19/28/588421928.db2.gz FSCMDMNSHJNXOU-CQSZACIVSA-N 1 2 242.322 1.491 20 30 BDEDLO C#CCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000848950476 588421929 /nfs/dbraw/zinc/42/19/29/588421929.db2.gz FSCMDMNSHJNXOU-CQSZACIVSA-N 1 2 242.322 1.491 20 30 BDEDLO C=CCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000849170428 588459092 /nfs/dbraw/zinc/45/90/92/588459092.db2.gz OYCPIODLDBGNDX-NTUHNPAUSA-N 1 2 220.272 1.583 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C)[nH]1)[C@@H]1CCCO1 ZINC000850250702 588532098 /nfs/dbraw/zinc/53/20/98/588532098.db2.gz CFTSQZKXNCYOJT-NEPJUHHUSA-N 1 2 233.315 1.297 20 30 BDEDLO C#C[C@@H](NCc1[nH]c(C)c(C)[nH+]1)[C@@H]1CCCO1 ZINC000850250702 588532099 /nfs/dbraw/zinc/53/20/99/588532099.db2.gz CFTSQZKXNCYOJT-NEPJUHHUSA-N 1 2 233.315 1.297 20 30 BDEDLO N#CC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851740790 588621570 /nfs/dbraw/zinc/62/15/70/588621570.db2.gz YQADBSHFQUJMGH-UHFFFAOYSA-N 1 2 219.263 1.956 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(F)n1 ZINC000851783434 588627964 /nfs/dbraw/zinc/62/79/64/588627964.db2.gz BXOCPRSTPXIILS-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(F)n1 ZINC000851783434 588627965 /nfs/dbraw/zinc/62/79/65/588627965.db2.gz BXOCPRSTPXIILS-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO C#CCOCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000851790117 588628719 /nfs/dbraw/zinc/62/87/19/588628719.db2.gz XJOVMRXUJUCFQW-UHFFFAOYSA-N 1 2 249.314 1.387 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@H]1CCC(=O)O1)C1CC1 ZINC000851866284 588636724 /nfs/dbraw/zinc/63/67/24/588636724.db2.gz MLNXKYXZYYZFDZ-GXSJLCMTSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1CCC(=O)O1)C1CC1 ZINC000851866284 588636725 /nfs/dbraw/zinc/63/67/25/588636725.db2.gz MLNXKYXZYYZFDZ-GXSJLCMTSA-N 1 2 222.288 1.316 20 30 BDEDLO C#CC[N@@H+](Cc1cc(OC)no1)C1CC1 ZINC000851938648 588646350 /nfs/dbraw/zinc/64/63/50/588646350.db2.gz VURZETQGBKZDLE-UHFFFAOYSA-N 1 2 206.245 1.281 20 30 BDEDLO C#CC[N@H+](Cc1cc(OC)no1)C1CC1 ZINC000851938648 588646351 /nfs/dbraw/zinc/64/63/51/588646351.db2.gz VURZETQGBKZDLE-UHFFFAOYSA-N 1 2 206.245 1.281 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1coc(C)n1)[C@@H]1CCCO1 ZINC000851950643 588647092 /nfs/dbraw/zinc/64/70/92/588647092.db2.gz QTJUPJXCGBOQJY-NEPJUHHUSA-N 1 2 220.272 1.253 20 30 BDEDLO C#C[C@H]([NH2+]Cc1coc(C)n1)[C@@H]1CCCO1 ZINC000851950645 588647241 /nfs/dbraw/zinc/64/72/41/588647241.db2.gz QTJUPJXCGBOQJY-RYUDHWBXSA-N 1 2 220.272 1.253 20 30 BDEDLO C[C@@]1([NH2+]CCc2ccc(C#N)cc2)CCOC1=O ZINC000852063058 588658591 /nfs/dbraw/zinc/65/85/91/588658591.db2.gz MYKXMVGYPKXOIB-CQSZACIVSA-N 1 2 244.294 1.396 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC000852075145 588659957 /nfs/dbraw/zinc/65/99/57/588659957.db2.gz IQJLKSWKLWQZSW-NSHDSACASA-N 1 2 224.304 1.540 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC000852075145 588659958 /nfs/dbraw/zinc/65/99/58/588659958.db2.gz IQJLKSWKLWQZSW-NSHDSACASA-N 1 2 224.304 1.540 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(CCOC)n1 ZINC000852104012 588663777 /nfs/dbraw/zinc/66/37/77/588663777.db2.gz YMQHDCUAKVXFAS-LBPRGKRZSA-N 1 2 237.303 1.150 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(CCOC)n1 ZINC000852104011 588663893 /nfs/dbraw/zinc/66/38/93/588663893.db2.gz YMQHDCUAKVXFAS-GFCCVEGCSA-N 1 2 237.303 1.150 20 30 BDEDLO C#CCOCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000852217734 588673744 /nfs/dbraw/zinc/67/37/44/588673744.db2.gz KZNMBLWLBGHKLE-UHFFFAOYSA-N 1 2 237.249 1.930 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852275399 588675322 /nfs/dbraw/zinc/67/53/22/588675322.db2.gz OHMJCVWPZOBJTF-MNOVXSKESA-N 1 2 248.330 1.582 20 30 BDEDLO Cc1nonc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319584 588677961 /nfs/dbraw/zinc/67/79/61/588677961.db2.gz PRLVVAXNDQBVDL-SNVBAGLBSA-N 1 2 220.276 1.504 20 30 BDEDLO Cc1nonc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319584 588677962 /nfs/dbraw/zinc/67/79/62/588677962.db2.gz PRLVVAXNDQBVDL-SNVBAGLBSA-N 1 2 220.276 1.504 20 30 BDEDLO Cc1oncc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000852687466 588696525 /nfs/dbraw/zinc/69/65/25/588696525.db2.gz UFOWNRGZRFWTQC-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1oncc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000852687466 588696526 /nfs/dbraw/zinc/69/65/26/588696526.db2.gz UFOWNRGZRFWTQC-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC000852714604 588697420 /nfs/dbraw/zinc/69/74/20/588697420.db2.gz VTKNLEMXULZNFC-MRVPVSSYSA-N 1 2 225.292 1.004 20 30 BDEDLO C=CCN(CC(=O)OCC)Cc1[nH]cc(C)[nH+]1 ZINC000862226621 589195828 /nfs/dbraw/zinc/19/58/28/589195828.db2.gz KHQNKIWJSUAIDD-UHFFFAOYSA-N 1 2 237.303 1.269 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000862353654 589202320 /nfs/dbraw/zinc/20/23/20/589202320.db2.gz VONAUGRGASLSMD-UHFFFAOYSA-N 1 2 205.236 1.614 20 30 BDEDLO C#CCOCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376150 589428009 /nfs/dbraw/zinc/42/80/09/589428009.db2.gz BBQVEFQQFIIECS-UHFFFAOYSA-N 1 2 206.289 1.830 20 30 BDEDLO C=CC[C@@H](CO)CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865656588 589454570 /nfs/dbraw/zinc/45/45/70/589454570.db2.gz QHZOYOZALFXIIH-GHMZBOCLSA-N 1 2 236.315 1.731 20 30 BDEDLO C#CC[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000865899376 589467733 /nfs/dbraw/zinc/46/77/33/589467733.db2.gz BFFKMIXVLCZNFX-SNVBAGLBSA-N 1 2 231.303 1.002 20 30 BDEDLO C#CC[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000865899376 589467734 /nfs/dbraw/zinc/46/77/34/589467734.db2.gz BFFKMIXVLCZNFX-SNVBAGLBSA-N 1 2 231.303 1.002 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cnc(Cl)cn1 ZINC000866107059 589476578 /nfs/dbraw/zinc/47/65/78/589476578.db2.gz SUFZYDVNHRAAPD-SSDOTTSWSA-N 1 2 210.668 1.522 20 30 BDEDLO C[C@H](CCO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866275677 589483910 /nfs/dbraw/zinc/48/39/10/589483910.db2.gz OOXZQKBQPRZUPK-GHMZBOCLSA-N 1 2 248.326 1.933 20 30 BDEDLO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc(C#N)c1O ZINC000866369640 589488462 /nfs/dbraw/zinc/48/84/62/589488462.db2.gz LYEINKYKDYQTMQ-OASPWFOLSA-N 1 2 246.310 1.828 20 30 BDEDLO C#CCCOC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867714039 589531659 /nfs/dbraw/zinc/53/16/59/589531659.db2.gz VOMNGHOKMPJMDQ-LLVKDONJSA-N 1 2 242.294 1.170 20 30 BDEDLO C#CCCOC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867714039 589531660 /nfs/dbraw/zinc/53/16/60/589531660.db2.gz VOMNGHOKMPJMDQ-LLVKDONJSA-N 1 2 242.294 1.170 20 30 BDEDLO C[C@@H](C#N)OC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000869973002 589640615 /nfs/dbraw/zinc/64/06/15/589640615.db2.gz WLRSVKMHLSHDNC-QMMMGPOBSA-N 1 2 247.229 1.471 20 30 BDEDLO CC(C)(C#N)CCO[NH+]=C(N)COC1CCC1 ZINC000871775232 589814268 /nfs/dbraw/zinc/81/42/68/589814268.db2.gz JYVMBXPYNAYNES-UHFFFAOYSA-N 1 2 239.319 1.994 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872305477 589907955 /nfs/dbraw/zinc/90/79/55/589907955.db2.gz KVSXJXLNPPOZRI-SNVBAGLBSA-N 1 2 244.298 1.020 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000874863266 590150751 /nfs/dbraw/zinc/15/07/51/590150751.db2.gz NCGHOSOGACAFPH-XYPYZODXSA-N 1 2 231.299 1.640 20 30 BDEDLO C[C@H](C#N)CNc1nccn2c[nH+]cc12 ZINC000874962857 590157525 /nfs/dbraw/zinc/15/75/25/590157525.db2.gz PNDDNURPXJBDGK-MRVPVSSYSA-N 1 2 201.233 1.301 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(CCC)nn1 ZINC000876639592 590225351 /nfs/dbraw/zinc/22/53/51/590225351.db2.gz RLDIHNOOMHTEDK-UHFFFAOYSA-N 1 2 206.293 1.143 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(CCC)nn1 ZINC000876639592 590225352 /nfs/dbraw/zinc/22/53/52/590225352.db2.gz RLDIHNOOMHTEDK-UHFFFAOYSA-N 1 2 206.293 1.143 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc2c(cnn2C)c1 ZINC000876744910 590235879 /nfs/dbraw/zinc/23/58/79/590235879.db2.gz GYOXERCQXJNATH-UHFFFAOYSA-N 1 2 238.294 1.037 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1ccc(Cl)nn1 ZINC000877149282 590292828 /nfs/dbraw/zinc/29/28/28/590292828.db2.gz KGFUQCRQJNIBBU-UHFFFAOYSA-N 1 2 218.087 1.972 20 30 BDEDLO C[C@@H](O)C[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877320500 590315574 /nfs/dbraw/zinc/31/55/74/590315574.db2.gz JPSLHZVUBFQWQT-MRVPVSSYSA-N 1 2 239.706 1.419 20 30 BDEDLO C[C@@H](O)C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877320500 590315577 /nfs/dbraw/zinc/31/55/77/590315577.db2.gz JPSLHZVUBFQWQT-MRVPVSSYSA-N 1 2 239.706 1.419 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2cccc(C#N)n2)C1 ZINC000877580067 590365011 /nfs/dbraw/zinc/36/50/11/590365011.db2.gz KTCOEYMTBYWXPC-UHFFFAOYSA-N 1 2 231.299 1.156 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC ZINC000877582922 590366770 /nfs/dbraw/zinc/36/67/70/590366770.db2.gz IBQWCKVAQUONSY-HTAVTVPLSA-N 1 2 234.299 1.223 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCC12CCC2)C(=O)OC ZINC000877584265 590367649 /nfs/dbraw/zinc/36/76/49/590367649.db2.gz YIZSZKHVBLKZSY-MNOVXSKESA-N 1 2 221.300 1.474 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000877691016 590393192 /nfs/dbraw/zinc/39/31/92/590393192.db2.gz YHOBVULSXAVYPY-VQXHTEKXSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[N@@H+](CC[C@H](O)C(C)C)CC(=O)OCC ZINC000878001371 590469709 /nfs/dbraw/zinc/46/97/09/590469709.db2.gz QUMNCVMNRCRZRP-LBPRGKRZSA-N 1 2 243.347 1.445 20 30 BDEDLO C=CC[N@H+](CC[C@H](O)C(C)C)CC(=O)OCC ZINC000878001371 590469713 /nfs/dbraw/zinc/46/97/13/590469713.db2.gz QUMNCVMNRCRZRP-LBPRGKRZSA-N 1 2 243.347 1.445 20 30 BDEDLO C=C1CC[NH+](CC(=O)Nc2ncccc2C)CC1 ZINC000878087122 590489466 /nfs/dbraw/zinc/48/94/66/590489466.db2.gz HCKFSWGIOXORSM-UHFFFAOYSA-N 1 2 245.326 1.981 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(O)c1 ZINC000878164603 590511754 /nfs/dbraw/zinc/51/17/54/590511754.db2.gz KDVMOJGUBQLNKR-ZDUSSCGKSA-N 1 2 249.310 1.942 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(O)c1 ZINC000878164603 590511755 /nfs/dbraw/zinc/51/17/55/590511755.db2.gz KDVMOJGUBQLNKR-ZDUSSCGKSA-N 1 2 249.310 1.942 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C)(C#N)CC1 ZINC000878389645 590558927 /nfs/dbraw/zinc/55/89/27/590558927.db2.gz PDPAEILKMJNOBP-NSHDSACASA-N 1 2 236.315 1.730 20 30 BDEDLO C#CCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000878476017 590573931 /nfs/dbraw/zinc/57/39/31/590573931.db2.gz DYFZHRXDYDQOES-NSHDSACASA-N 1 2 231.286 1.882 20 30 BDEDLO C#CCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000878476017 590573932 /nfs/dbraw/zinc/57/39/32/590573932.db2.gz DYFZHRXDYDQOES-NSHDSACASA-N 1 2 231.286 1.882 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000878484166 590577513 /nfs/dbraw/zinc/57/75/13/590577513.db2.gz LTBNENFCUHPVIF-YPMHNXCESA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000878484166 590577514 /nfs/dbraw/zinc/57/75/14/590577514.db2.gz LTBNENFCUHPVIF-YPMHNXCESA-N 1 2 241.331 1.605 20 30 BDEDLO CC#CC[N@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878656088 590603372 /nfs/dbraw/zinc/60/33/72/590603372.db2.gz GTXXJBPDMNAASY-UHFFFAOYSA-N 1 2 245.388 1.545 20 30 BDEDLO CC#CC[N@@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878656088 590603373 /nfs/dbraw/zinc/60/33/73/590603373.db2.gz GTXXJBPDMNAASY-UHFFFAOYSA-N 1 2 245.388 1.545 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC000878656008 590603411 /nfs/dbraw/zinc/60/34/11/590603411.db2.gz FKVTXSJMBJTKOB-UHFFFAOYSA-N 1 2 246.310 1.713 20 30 BDEDLO CC#CC[N@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC000878656008 590603413 /nfs/dbraw/zinc/60/34/13/590603413.db2.gz FKVTXSJMBJTKOB-UHFFFAOYSA-N 1 2 246.310 1.713 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C)cn1 ZINC000878668902 590606850 /nfs/dbraw/zinc/60/68/50/590606850.db2.gz LVJFJIYWYVPRQK-CYBMUJFWSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)cn1 ZINC000878668902 590606851 /nfs/dbraw/zinc/60/68/51/590606851.db2.gz LVJFJIYWYVPRQK-CYBMUJFWSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)C(=O)OC ZINC000878673093 590607190 /nfs/dbraw/zinc/60/71/90/590607190.db2.gz VZHHWZBYRAFVLC-AXFHLTTASA-N 1 2 241.331 1.507 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ncccc1C ZINC000878699179 590611658 /nfs/dbraw/zinc/61/16/58/590611658.db2.gz OCRUFJYEVZBRSL-NSHDSACASA-N 1 2 246.314 1.610 20 30 BDEDLO C=CC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878916533 590649650 /nfs/dbraw/zinc/64/96/50/590649650.db2.gz ZGLLNMIRKSDVFH-IUCAKERBSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878916533 590649654 /nfs/dbraw/zinc/64/96/54/590649654.db2.gz ZGLLNMIRKSDVFH-IUCAKERBSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878916532 590650676 /nfs/dbraw/zinc/65/06/76/590650676.db2.gz ZGLLNMIRKSDVFH-DTWKUNHWSA-N 1 2 205.248 1.653 20 30 BDEDLO CO[C@H]1C[C@@H](C[N@H+]([C@@H](C)C#N)C2CC2)C1 ZINC000878919303 590652371 /nfs/dbraw/zinc/65/23/71/590652371.db2.gz JSNAIPPWQSPQMZ-JBLDHEPKSA-N 1 2 208.305 1.788 20 30 BDEDLO CO[C@H]1C[C@@H](C[N@@H+]([C@@H](C)C#N)C2CC2)C1 ZINC000878919303 590652374 /nfs/dbraw/zinc/65/23/74/590652374.db2.gz JSNAIPPWQSPQMZ-JBLDHEPKSA-N 1 2 208.305 1.788 20 30 BDEDLO C#CC1(NC(=O)Nc2cc[nH+]c(C)c2)CCCC1 ZINC000879070092 590691388 /nfs/dbraw/zinc/69/13/88/590691388.db2.gz IEHLPNMKBCEWTI-UHFFFAOYSA-N 1 2 243.310 1.879 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000879188634 590709573 /nfs/dbraw/zinc/70/95/73/590709573.db2.gz OLEWARNOAUNAQT-VIFPVBQESA-N 1 2 206.293 1.842 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)CCC#N ZINC000879188634 590709575 /nfs/dbraw/zinc/70/95/75/590709575.db2.gz OLEWARNOAUNAQT-VIFPVBQESA-N 1 2 206.293 1.842 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879335712 590749368 /nfs/dbraw/zinc/74/93/68/590749368.db2.gz WKLGIFZYEWAQNW-JTQLQIEISA-N 1 2 245.754 1.522 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879335712 590749373 /nfs/dbraw/zinc/74/93/73/590749373.db2.gz WKLGIFZYEWAQNW-JTQLQIEISA-N 1 2 245.754 1.522 20 30 BDEDLO C#CC1(F)CN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000879525453 590789268 /nfs/dbraw/zinc/78/92/68/590789268.db2.gz LEQBFEAOCRCGJN-UHFFFAOYSA-N 1 2 247.273 1.887 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000879553039 590798781 /nfs/dbraw/zinc/79/87/81/590798781.db2.gz URRMJTZOGBFLAJ-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC=C[C@H]1CO ZINC000880488804 591065210 /nfs/dbraw/zinc/06/52/10/591065210.db2.gz MKKJGXWUBNJRKO-ZDUSSCGKSA-N 1 2 248.713 1.944 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC=C[C@H]1CO ZINC000880488804 591065212 /nfs/dbraw/zinc/06/52/12/591065212.db2.gz MKKJGXWUBNJRKO-ZDUSSCGKSA-N 1 2 248.713 1.944 20 30 BDEDLO C#CCSCCNc1cc(CO)cc[nH+]1 ZINC000882006902 591287521 /nfs/dbraw/zinc/28/75/21/591287521.db2.gz ZVXBFRKTUDLBSZ-UHFFFAOYSA-N 1 2 222.313 1.352 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000883005187 591505640 /nfs/dbraw/zinc/50/56/40/591505640.db2.gz HCASKLNBCWNVLC-LLVKDONJSA-N 1 2 248.330 1.790 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000883005187 591505642 /nfs/dbraw/zinc/50/56/42/591505642.db2.gz HCASKLNBCWNVLC-LLVKDONJSA-N 1 2 248.330 1.790 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000883006375 591507311 /nfs/dbraw/zinc/50/73/11/591507311.db2.gz QBQSSEDVFHDKSU-ZETCQYMHSA-N 1 2 242.710 1.451 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000883006375 591507313 /nfs/dbraw/zinc/50/73/13/591507313.db2.gz QBQSSEDVFHDKSU-ZETCQYMHSA-N 1 2 242.710 1.451 20 30 BDEDLO C#CC1(NC(=O)NCc2[nH+]ccn2C)CCCC1 ZINC000883322664 591616277 /nfs/dbraw/zinc/61/62/77/591616277.db2.gz PLOPKYIVXMDSGZ-UHFFFAOYSA-N 1 2 246.314 1.165 20 30 BDEDLO C#CCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800214645 591841003 /nfs/dbraw/zinc/84/10/03/591841003.db2.gz OWGSPYLMUHOSCE-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800214645 591841007 /nfs/dbraw/zinc/84/10/07/591841007.db2.gz OWGSPYLMUHOSCE-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)CC#N ZINC000134897142 591957516 /nfs/dbraw/zinc/95/75/16/591957516.db2.gz GZVVBKZTJXLVAO-SSDOTTSWSA-N 1 2 226.711 1.774 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2[nH]nc(C)c2C)nn1 ZINC000886149434 592163771 /nfs/dbraw/zinc/16/37/71/592163771.db2.gz NVDYCXIBSCEESB-UHFFFAOYSA-N 1 2 246.318 1.094 20 30 BDEDLO C=CC[N@@H+](Cc1[nH]ncc1C)[C@@H](C)COC ZINC000886275835 592195754 /nfs/dbraw/zinc/19/57/54/592195754.db2.gz NTPLTZDEIFYITQ-NSHDSACASA-N 1 2 223.320 1.741 20 30 BDEDLO C=CC[N@H+](Cc1n[nH]cc1C)[C@@H](C)COC ZINC000886275835 592195756 /nfs/dbraw/zinc/19/57/56/592195756.db2.gz NTPLTZDEIFYITQ-NSHDSACASA-N 1 2 223.320 1.741 20 30 BDEDLO C=CC[N@@H+](Cc1n[nH]cc1C)[C@@H](C)COC ZINC000886275835 592195757 /nfs/dbraw/zinc/19/57/57/592195757.db2.gz NTPLTZDEIFYITQ-NSHDSACASA-N 1 2 223.320 1.741 20 30 BDEDLO C#CCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000886795927 592328057 /nfs/dbraw/zinc/32/80/57/592328057.db2.gz JIUSWLKSKNIQMO-UHFFFAOYSA-N 1 2 231.299 1.405 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886959901 592402493 /nfs/dbraw/zinc/40/24/93/592402493.db2.gz YOCCXFCUODXUET-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000887934265 592560780 /nfs/dbraw/zinc/56/07/80/592560780.db2.gz UBGIOWVJIMLZMH-LBPRGKRZSA-N 1 2 243.310 1.689 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258807528 991809815 /nfs/dbraw/zinc/80/98/15/991809815.db2.gz QOSRTAOTXNTSMB-BBBLOLIVSA-N 1 2 231.361 1.626 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnn(CCF)c1 ZINC000893542947 634610692 /nfs/dbraw/zinc/61/06/92/634610692.db2.gz OPZNZKIPMFXHPU-SECBINFHSA-N 1 2 210.256 1.102 20 30 BDEDLO CC1(C)OC[C@@H](C[N@@H+]2CCC[C@H](C#N)C2)O1 ZINC000932154840 635602315 /nfs/dbraw/zinc/60/23/15/635602315.db2.gz ORDYVTVCQLVHFQ-GHMZBOCLSA-N 1 2 224.304 1.373 20 30 BDEDLO CC1(C)OC[C@@H](C[N@H+]2CCC[C@H](C#N)C2)O1 ZINC000932154840 635602321 /nfs/dbraw/zinc/60/23/21/635602321.db2.gz ORDYVTVCQLVHFQ-GHMZBOCLSA-N 1 2 224.304 1.373 20 30 BDEDLO C=CC(C)(C)NC(=O)NCCCn1cc[nH+]c1 ZINC000891428908 631217770 /nfs/dbraw/zinc/21/77/70/631217770.db2.gz GZLVVQDMQRKMNB-UHFFFAOYSA-N 1 2 236.319 1.537 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538974 631397922 /nfs/dbraw/zinc/39/79/22/631397922.db2.gz NIRPNMFYOYWGKM-YPMHNXCESA-N 1 2 248.330 1.486 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538974 631397927 /nfs/dbraw/zinc/39/79/27/631397927.db2.gz NIRPNMFYOYWGKM-YPMHNXCESA-N 1 2 248.330 1.486 20 30 BDEDLO CCOCCO[NH+]=C(C)c1csc(N)n1 ZINC000308844598 631690641 /nfs/dbraw/zinc/69/06/41/631690641.db2.gz OSBKEKCPDRALOE-UHFFFAOYSA-N 1 2 229.305 1.502 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(C)no1 ZINC000934471991 631867740 /nfs/dbraw/zinc/86/77/40/631867740.db2.gz XULOOPXSJFNXLW-GHMZBOCLSA-N 1 2 249.314 1.960 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(C)no1 ZINC000934471991 631867743 /nfs/dbraw/zinc/86/77/43/631867743.db2.gz XULOOPXSJFNXLW-GHMZBOCLSA-N 1 2 249.314 1.960 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccs1)[C@@H]1CCCO1 ZINC000308843468 631906145 /nfs/dbraw/zinc/90/61/45/631906145.db2.gz OEILXFHLIMFJTO-UWVGGRQHSA-N 1 2 222.313 1.414 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc[nH]2)C1 ZINC000949664832 631957850 /nfs/dbraw/zinc/95/78/50/631957850.db2.gz BFERXLGXQMLMMR-UHFFFAOYSA-N 1 2 233.315 1.347 20 30 BDEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000047823502 635776893 /nfs/dbraw/zinc/77/68/93/635776893.db2.gz QVJYLULESLAXJR-UHFFFAOYSA-N 1 2 249.314 1.238 20 30 BDEDLO C#CCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000309370780 632985195 /nfs/dbraw/zinc/98/51/95/632985195.db2.gz QKDDBLPLFUNWRW-NSHDSACASA-N 1 2 225.332 1.966 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ncccn1 ZINC000930600594 633924768 /nfs/dbraw/zinc/92/47/68/633924768.db2.gz LGYMTVAEVIYQEZ-PWSUYJOCSA-N 1 2 203.289 1.929 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1noc2c1COCC2 ZINC000930602174 633926448 /nfs/dbraw/zinc/92/64/48/633926448.db2.gz ZEXDBBYCHVEGBR-CYBMUJFWSA-N 1 2 234.299 1.639 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](CC)COC)C(=O)OCC ZINC000895598814 636164494 /nfs/dbraw/zinc/16/44/94/636164494.db2.gz VAWJPXIFIXABNF-NEPJUHHUSA-N 1 2 243.347 1.899 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000950043496 635249997 /nfs/dbraw/zinc/24/99/97/635249997.db2.gz PBCHTFIIEOGJCL-CHWSQXEVSA-N 1 2 234.343 1.200 20 30 BDEDLO C#CCN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896844692 636229216 /nfs/dbraw/zinc/22/92/16/636229216.db2.gz OZYHNECQKDIOTJ-UHFFFAOYSA-N 1 2 233.315 1.408 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)C(=O)OC ZINC000905760440 637915448 /nfs/dbraw/zinc/91/54/48/637915448.db2.gz JKICDQLOQGRTBA-WDEREUQCSA-N 1 2 243.347 1.755 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H]1CCCCS1)C(=O)OC ZINC000905764396 637920903 /nfs/dbraw/zinc/92/09/03/637920903.db2.gz XQDNDBRQATVOOR-WDEREUQCSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H]1CCCS1)C(=O)OC ZINC000905766046 637921089 /nfs/dbraw/zinc/92/10/89/637921089.db2.gz GWJPFDRFBCWECX-UWVGGRQHSA-N 1 2 229.345 1.589 20 30 BDEDLO C=CC[C@@H]([NH2+]CC[C@@H](C)OC)C(=O)OC ZINC000905770615 637924448 /nfs/dbraw/zinc/92/44/48/637924448.db2.gz OPNGSDRIULHBRT-NXEZZACHSA-N 1 2 215.293 1.119 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)OC ZINC000905773606 637929001 /nfs/dbraw/zinc/92/90/01/637929001.db2.gz UPYSOTXXJUQFBL-BBBLOLIVSA-N 1 2 229.345 1.588 20 30 BDEDLO C=C[C@@H]([NH2+]C1CCC2(COC2)CC1)C(=O)OC ZINC000905813667 637941560 /nfs/dbraw/zinc/94/15/60/637941560.db2.gz UOSLDVTZKVNPQM-LLVKDONJSA-N 1 2 239.315 1.263 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)c2ccsc2C#N)C1 ZINC000907516109 638400324 /nfs/dbraw/zinc/40/03/24/638400324.db2.gz RTBQILJYYVKSKK-UHFFFAOYSA-N 1 2 249.339 1.442 20 30 BDEDLO C=CCCCNC(=O)CNc1cccc[nH+]1 ZINC000907853304 638487891 /nfs/dbraw/zinc/48/78/91/638487891.db2.gz SHLFHPICBLNUQF-UHFFFAOYSA-N 1 2 219.288 1.576 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)CNc1cccc[nH+]1 ZINC000908400810 638695832 /nfs/dbraw/zinc/69/58/32/638695832.db2.gz MTULGNNGFDIFCZ-UHFFFAOYSA-N 1 2 246.314 1.502 20 30 BDEDLO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccn(C)n1 ZINC000930705716 639871629 /nfs/dbraw/zinc/87/16/29/639871629.db2.gz RVUPKJBXPJEFND-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CCC=C(Cl)C1 ZINC000930838712 639937081 /nfs/dbraw/zinc/93/70/81/639937081.db2.gz MMCLOAHUKZBSKG-SECBINFHSA-N 1 2 200.669 1.089 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CCC=C(Cl)C1 ZINC000930838712 639937086 /nfs/dbraw/zinc/93/70/86/639937086.db2.gz MMCLOAHUKZBSKG-SECBINFHSA-N 1 2 200.669 1.089 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(N)nc1)C1CSC1 ZINC000930960239 639998220 /nfs/dbraw/zinc/99/82/20/639998220.db2.gz IXQRZLJJRMWMIP-UHFFFAOYSA-N 1 2 233.340 1.214 20 30 BDEDLO C#CC[N@H+](Cc1ccc(N)nc1)C1CSC1 ZINC000930960239 639998230 /nfs/dbraw/zinc/99/82/30/639998230.db2.gz IXQRZLJJRMWMIP-UHFFFAOYSA-N 1 2 233.340 1.214 20 30 BDEDLO C=C[C@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912718776 640177311 /nfs/dbraw/zinc/17/73/11/640177311.db2.gz BEQOQSLGWIQSKN-LLVKDONJSA-N 1 2 234.299 1.284 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932380110 640508892 /nfs/dbraw/zinc/50/88/92/640508892.db2.gz KSUMXHVHSFPKKX-LBPRGKRZSA-N 1 2 242.282 1.841 20 30 BDEDLO C#CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000932384258 640511068 /nfs/dbraw/zinc/51/10/68/640511068.db2.gz OPLLXRPFEMGRIP-UHFFFAOYSA-N 1 2 236.275 1.172 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000932384258 640511069 /nfs/dbraw/zinc/51/10/69/640511069.db2.gz OPLLXRPFEMGRIP-UHFFFAOYSA-N 1 2 236.275 1.172 20 30 BDEDLO C#CC[N@H+](Cc1cn(CCC=C)nn1)C(C)C ZINC000932383649 640511697 /nfs/dbraw/zinc/51/16/97/640511697.db2.gz JZKAOFUTSJNOHA-UHFFFAOYSA-N 1 2 232.331 1.698 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CCC=C)nn1)C(C)C ZINC000932383649 640511702 /nfs/dbraw/zinc/51/17/02/640511702.db2.gz JZKAOFUTSJNOHA-UHFFFAOYSA-N 1 2 232.331 1.698 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030043227 640535158 /nfs/dbraw/zinc/53/51/58/640535158.db2.gz HWFUTKGRYLTILV-UHFFFAOYSA-N 1 2 222.332 1.553 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(C)c2)C1 ZINC001030073147 640577764 /nfs/dbraw/zinc/57/77/64/640577764.db2.gz KDQYUURVFOCLSO-UHFFFAOYSA-N 1 2 244.338 1.985 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccn2C)C1 ZINC001030110867 640598962 /nfs/dbraw/zinc/59/89/62/640598962.db2.gz RXYCTHGWPGCDOD-UHFFFAOYSA-N 1 2 233.315 1.015 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C(C)=C2CCCC2)C1 ZINC001030210865 640686288 /nfs/dbraw/zinc/68/62/88/640686288.db2.gz WXZCYFIGMMIIBO-UHFFFAOYSA-N 1 2 246.354 1.701 20 30 BDEDLO C#CCC1([NH2+][C@H](CC=C)C(=O)OC)CCC1 ZINC000933292625 640699604 /nfs/dbraw/zinc/69/96/04/640699604.db2.gz CAGHDXOLUQWKOU-LLVKDONJSA-N 1 2 221.300 1.640 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2CC(C)(C)C2)C1 ZINC001030273004 640721598 /nfs/dbraw/zinc/72/15/98/640721598.db2.gz MXUVEOFFYDLDHD-UHFFFAOYSA-N 1 2 234.343 1.246 20 30 BDEDLO Cc1[nH]c(CN2CCO[C@](C)(C#N)C2)[nH+]c1C ZINC000933609967 640733207 /nfs/dbraw/zinc/73/32/07/640733207.db2.gz FQXDXTCATLSNFW-GFCCVEGCSA-N 1 2 234.303 1.141 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001030359681 640788898 /nfs/dbraw/zinc/78/88/98/640788898.db2.gz OMQHJIAVMHNOFY-QWHCGFSZSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2onc(C)c2C)C1 ZINC001030497071 640884163 /nfs/dbraw/zinc/88/41/63/640884163.db2.gz HYGOTUWQWKIISO-UHFFFAOYSA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cc(C)on1 ZINC000934470882 641162867 /nfs/dbraw/zinc/16/28/67/641162867.db2.gz GLWBRQOQIDQIFM-SNVBAGLBSA-N 1 2 235.287 1.572 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cc(C)on1 ZINC000934470882 641162873 /nfs/dbraw/zinc/16/28/73/641162873.db2.gz GLWBRQOQIDQIFM-SNVBAGLBSA-N 1 2 235.287 1.572 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccon1 ZINC000934470852 641164431 /nfs/dbraw/zinc/16/44/31/641164431.db2.gz GCXLAZHUEYPCCN-VIFPVBQESA-N 1 2 221.260 1.264 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccon1 ZINC000934470852 641164438 /nfs/dbraw/zinc/16/44/38/641164438.db2.gz GCXLAZHUEYPCCN-VIFPVBQESA-N 1 2 221.260 1.264 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nnnn1CCCC ZINC000934471874 641164836 /nfs/dbraw/zinc/16/48/36/641164836.db2.gz OQWXGWNFJHHUOR-NSHDSACASA-N 1 2 235.335 1.624 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnnn1CCCC ZINC000934471874 641164837 /nfs/dbraw/zinc/16/48/37/641164837.db2.gz OQWXGWNFJHHUOR-NSHDSACASA-N 1 2 235.335 1.624 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000934519779 641187116 /nfs/dbraw/zinc/18/71/16/641187116.db2.gz UJAHAXLWONBWJH-GFCCVEGCSA-N 1 2 245.282 1.978 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000934519779 641187126 /nfs/dbraw/zinc/18/71/26/641187126.db2.gz UJAHAXLWONBWJH-GFCCVEGCSA-N 1 2 245.282 1.978 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)ccc1C#N ZINC000934570253 641201619 /nfs/dbraw/zinc/20/16/19/641201619.db2.gz CTDWGGUTEXYGFN-UONOGXRCSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)ccc1C#N ZINC000934570253 641201625 /nfs/dbraw/zinc/20/16/25/641201625.db2.gz CTDWGGUTEXYGFN-UONOGXRCSA-N 1 2 248.301 1.771 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)C2CCC2)C1 ZINC001030751436 641335241 /nfs/dbraw/zinc/33/52/41/641335241.db2.gz CWANFBIGGPTSMK-UHFFFAOYSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)[nH]c2C)C1 ZINC001031018548 641598614 /nfs/dbraw/zinc/59/86/14/641598614.db2.gz AUMRUURUKJBMIF-UHFFFAOYSA-N 1 2 247.342 1.622 20 30 BDEDLO CCCNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000048706924 641699913 /nfs/dbraw/zinc/69/99/13/641699913.db2.gz IUALMBPCZVNJSD-UHFFFAOYSA-N 1 2 249.314 1.044 20 30 BDEDLO C(=NOC[C@@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC000788028798 641742755 /nfs/dbraw/zinc/74/27/55/641742755.db2.gz AOAHGCQXLFJOPS-LLVKDONJSA-N 1 2 245.282 1.721 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001031167442 641760947 /nfs/dbraw/zinc/76/09/47/641760947.db2.gz CSDNGJZRUFYHBF-QWHCGFSZSA-N 1 2 236.359 1.655 20 30 BDEDLO CO[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000914773674 641762075 /nfs/dbraw/zinc/76/20/75/641762075.db2.gz QDGCJKIQPYGYML-UHFFFAOYSA-N 1 2 206.249 1.057 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001031168216 641763343 /nfs/dbraw/zinc/76/33/43/641763343.db2.gz MCUVXGIRHMHTSI-QWHCGFSZSA-N 1 2 234.343 1.102 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000948971036 641834408 /nfs/dbraw/zinc/83/44/08/641834408.db2.gz AQMLOFFVFIASAP-MELADBBJSA-N 1 2 248.370 1.753 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC000949570560 641844609 /nfs/dbraw/zinc/84/46/09/641844609.db2.gz ILRVDGKNZZEBMA-UHFFFAOYSA-N 1 2 248.330 1.052 20 30 BDEDLO C#CCNC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000915908092 641885192 /nfs/dbraw/zinc/88/51/92/641885192.db2.gz AIWXRLDWFBFDAI-NSHDSACASA-N 1 2 248.330 1.230 20 30 BDEDLO C#CCCOc1ccc(C[NH+]2CCOCC2)cc1 ZINC000154517245 642118855 /nfs/dbraw/zinc/11/88/55/642118855.db2.gz YFXGTWNJALETAC-UHFFFAOYSA-N 1 2 245.322 1.921 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(C)=O)C1 ZINC000964509375 642754691 /nfs/dbraw/zinc/75/46/91/642754691.db2.gz HKKARTRBKOGGLM-KWQFWETISA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(C)=O)C1 ZINC000964509375 642754725 /nfs/dbraw/zinc/75/47/25/642754725.db2.gz HKKARTRBKOGGLM-KWQFWETISA-N 1 2 230.739 1.585 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001017318289 642970265 /nfs/dbraw/zinc/97/02/65/642970265.db2.gz JGMQWLGQCHYNQC-BETUJISGSA-N 1 2 232.327 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001017318289 642970272 /nfs/dbraw/zinc/97/02/72/642970272.db2.gz JGMQWLGQCHYNQC-BETUJISGSA-N 1 2 232.327 1.261 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001017470294 642979873 /nfs/dbraw/zinc/97/98/73/642979873.db2.gz FIYGFWWFFWOSSV-OKILXGFUSA-N 1 2 244.338 1.405 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001017470294 642979894 /nfs/dbraw/zinc/97/98/94/642979894.db2.gz FIYGFWWFFWOSSV-OKILXGFUSA-N 1 2 244.338 1.405 20 30 BDEDLO C=C(Br)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000307618661 643538924 /nfs/dbraw/zinc/53/89/24/643538924.db2.gz ZMOZDLJEJANURT-DTWKUNHWSA-N 1 2 232.121 1.209 20 30 BDEDLO C=C(Br)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000307618661 643538931 /nfs/dbraw/zinc/53/89/31/643538931.db2.gz ZMOZDLJEJANURT-DTWKUNHWSA-N 1 2 232.121 1.209 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000049389431 643619076 /nfs/dbraw/zinc/61/90/76/643619076.db2.gz FEVBVOQXUJPTKF-UHFFFAOYSA-N 1 2 248.282 1.856 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000049389431 643619079 /nfs/dbraw/zinc/61/90/79/643619079.db2.gz FEVBVOQXUJPTKF-UHFFFAOYSA-N 1 2 248.282 1.856 20 30 BDEDLO CC[N@@H+](CC(OC)OC)C[C@H](C)C#N ZINC000085351367 643747818 /nfs/dbraw/zinc/74/78/18/643747818.db2.gz SZASJIQZAVBJGI-SECBINFHSA-N 1 2 200.282 1.087 20 30 BDEDLO CC[N@H+](CC(OC)OC)C[C@H](C)C#N ZINC000085351367 643747826 /nfs/dbraw/zinc/74/78/26/643747826.db2.gz SZASJIQZAVBJGI-SECBINFHSA-N 1 2 200.282 1.087 20 30 BDEDLO C#CCC(CC#C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922720595 644076143 /nfs/dbraw/zinc/07/61/43/644076143.db2.gz YUMCFGUIOUTCQB-UHFFFAOYSA-N 1 2 242.278 1.370 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450042 644152947 /nfs/dbraw/zinc/15/29/47/644152947.db2.gz WJMVNPJDEKAZIZ-TXEJJXNPSA-N 1 2 246.782 1.780 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450042 644152950 /nfs/dbraw/zinc/15/29/50/644152950.db2.gz WJMVNPJDEKAZIZ-TXEJJXNPSA-N 1 2 246.782 1.780 20 30 BDEDLO C=C(Cl)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192450042 644152951 /nfs/dbraw/zinc/15/29/51/644152951.db2.gz WJMVNPJDEKAZIZ-TXEJJXNPSA-N 1 2 246.782 1.780 20 30 BDEDLO C=C(Cl)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192450042 644152953 /nfs/dbraw/zinc/15/29/53/644152953.db2.gz WJMVNPJDEKAZIZ-TXEJJXNPSA-N 1 2 246.782 1.780 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC23CC3)C1 ZINC000952357639 644374820 /nfs/dbraw/zinc/37/48/20/644374820.db2.gz PBNALXWEMBEPLL-CYBMUJFWSA-N 1 2 248.370 1.895 20 30 BDEDLO C=C(C)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914425 644673187 /nfs/dbraw/zinc/67/31/87/644673187.db2.gz IKSJCLKUEGITHX-UHFFFAOYSA-N 1 2 205.261 1.489 20 30 BDEDLO CC#CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000801146728 644838816 /nfs/dbraw/zinc/83/88/16/644838816.db2.gz KXKQOXKEAVXXSU-UHFFFAOYSA-N 1 2 213.240 1.605 20 30 BDEDLO C#CC1CC[NH+](Cc2oncc2C(=O)OC)CC1 ZINC000830351921 645121871 /nfs/dbraw/zinc/12/18/71/645121871.db2.gz XGXIOKSTVXBPAX-UHFFFAOYSA-N 1 2 248.282 1.306 20 30 BDEDLO C[C@]1(C#N)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832066894 645131450 /nfs/dbraw/zinc/13/14/50/645131450.db2.gz XZJOZBAYHXUVHD-GFCCVEGCSA-N 1 2 232.287 1.104 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000832291805 645133255 /nfs/dbraw/zinc/13/32/55/645133255.db2.gz QPYMJSQGZNSHLK-HTQZYQBOSA-N 1 2 243.656 1.984 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000832291805 645133260 /nfs/dbraw/zinc/13/32/60/645133260.db2.gz QPYMJSQGZNSHLK-HTQZYQBOSA-N 1 2 243.656 1.984 20 30 BDEDLO CC#CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927083729 645543670 /nfs/dbraw/zinc/54/36/70/645543670.db2.gz NGOGWMWTFPKPFV-UHFFFAOYSA-N 1 2 243.310 1.508 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000928218369 645714749 /nfs/dbraw/zinc/71/47/49/645714749.db2.gz VAFFKRUMEJLZRG-SNVBAGLBSA-N 1 2 232.287 1.104 20 30 BDEDLO C#C[C@H]1CC[C@H](Nc2nc[nH+]c(N)c2OC)CC1 ZINC000872779215 645768642 /nfs/dbraw/zinc/76/86/42/645768642.db2.gz QQOXBTDGQLFMDV-MGCOHNPYSA-N 1 2 246.314 1.671 20 30 BDEDLO C#C[C@H]1CC[C@H](Nc2[nH+]cnc(N)c2OC)CC1 ZINC000872779215 645768649 /nfs/dbraw/zinc/76/86/49/645768649.db2.gz QQOXBTDGQLFMDV-MGCOHNPYSA-N 1 2 246.314 1.671 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2ccon2)CC1 ZINC000880479712 645833194 /nfs/dbraw/zinc/83/31/94/645833194.db2.gz VHYQTMHXUXOUGZ-UHFFFAOYSA-N 1 2 220.272 1.025 20 30 BDEDLO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)CC#N)no1 ZINC000929185954 645994852 /nfs/dbraw/zinc/99/48/52/645994852.db2.gz MUHNSIDONMBGJJ-ZYHUDNBSSA-N 1 2 235.287 1.395 20 30 BDEDLO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)CC#N)no1 ZINC000929185954 645994862 /nfs/dbraw/zinc/99/48/62/645994862.db2.gz MUHNSIDONMBGJJ-ZYHUDNBSSA-N 1 2 235.287 1.395 20 30 BDEDLO CC[C@@H]([NH2+]C[C@@H](C)O)c1cccc(C#N)c1O ZINC000924528373 646047905 /nfs/dbraw/zinc/04/79/05/646047905.db2.gz NEALVWXFZNESFR-BXKDBHETSA-N 1 2 234.299 1.685 20 30 BDEDLO C=C1CC[NH+](C[C@H]2CCCS2(=O)=O)CC1 ZINC000929603118 646195271 /nfs/dbraw/zinc/19/52/71/646195271.db2.gz GAKPXTXYTSIMBC-LLVKDONJSA-N 1 2 229.345 1.216 20 30 BDEDLO C=C1CC[NH+](Cc2[nH]nc3c2COCC3)CC1 ZINC000929605523 646195913 /nfs/dbraw/zinc/19/59/13/646195913.db2.gz YRIUZBJFNHMUMN-UHFFFAOYSA-N 1 2 233.315 1.634 20 30 BDEDLO CC[C@@H]([NH2+][C@@H](C)CO)c1cccc(C#N)c1O ZINC000925163055 646197100 /nfs/dbraw/zinc/19/71/00/646197100.db2.gz XKOGRJHKUKNSER-JOYOIKCWSA-N 1 2 234.299 1.685 20 30 BDEDLO C#CC[N@H+](CC#CC)C/C(C)=C\C(=O)OC ZINC000929719870 646270920 /nfs/dbraw/zinc/27/09/20/646270920.db2.gz IZAYCKLFSHNJQC-BENRWUELSA-N 1 2 219.284 1.064 20 30 BDEDLO C#CC[N@@H+](CC#CC)C/C(C)=C\C(=O)OC ZINC000929719870 646270925 /nfs/dbraw/zinc/27/09/25/646270925.db2.gz IZAYCKLFSHNJQC-BENRWUELSA-N 1 2 219.284 1.064 20 30 BDEDLO C=C(Cl)C[NH2+][C@H](C)c1cnnn1C ZINC000925436922 646282045 /nfs/dbraw/zinc/28/20/45/646282045.db2.gz IJYONODRKVINNU-SSDOTTSWSA-N 1 2 200.673 1.218 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cn(C)cn1)[C@H]1CCCO1 ZINC000926208798 646594904 /nfs/dbraw/zinc/59/49/04/646594904.db2.gz AEQCDVWERHDGLH-GMXVVIOVSA-N 1 2 233.315 1.252 20 30 BDEDLO Cn1ncc(C=[NH+]OC/C=C/Cl)c1N ZINC000378852735 712366294 /nfs/dbraw/zinc/36/62/94/712366294.db2.gz HEZNGWOFGLAKQN-CPBVQVPNSA-N 1 2 214.656 1.105 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000767236864 712413375 /nfs/dbraw/zinc/41/33/75/712413375.db2.gz KSLGLXFUFSUDCL-NSHDSACASA-N 1 2 219.288 1.143 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1 ZINC001038025289 712899189 /nfs/dbraw/zinc/89/91/89/712899189.db2.gz GWTHJHKJTWMLEU-NSHDSACASA-N 1 2 234.324 1.185 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1 ZINC001038025289 712899190 /nfs/dbraw/zinc/89/91/90/712899190.db2.gz GWTHJHKJTWMLEU-NSHDSACASA-N 1 2 234.324 1.185 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038301656 710682067 /nfs/dbraw/zinc/68/20/67/710682067.db2.gz OHTAFHNBNSXSLR-CQSZACIVSA-N 1 2 242.322 1.109 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038301656 710682070 /nfs/dbraw/zinc/68/20/70/710682070.db2.gz OHTAFHNBNSXSLR-CQSZACIVSA-N 1 2 242.322 1.109 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038406063 710685845 /nfs/dbraw/zinc/68/58/45/710685845.db2.gz BLWUOUJMBOKCAI-QWHCGFSZSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038406063 710685849 /nfs/dbraw/zinc/68/58/49/710685849.db2.gz BLWUOUJMBOKCAI-QWHCGFSZSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001038675448 710702245 /nfs/dbraw/zinc/70/22/45/710702245.db2.gz YFONCAOUUXMOQY-OLZOCXBDSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001038675448 710702248 /nfs/dbraw/zinc/70/22/48/710702248.db2.gz YFONCAOUUXMOQY-OLZOCXBDSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)on2)C1 ZINC001042446165 710784772 /nfs/dbraw/zinc/78/47/72/710784772.db2.gz IORBKDYZYDIGIR-UHFFFAOYSA-N 1 2 249.314 1.315 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001042581839 710793573 /nfs/dbraw/zinc/79/35/73/710793573.db2.gz SIQXOVUDLJJUOV-ITGUQSILSA-N 1 2 234.343 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)C2CCC2)C1 ZINC001043056695 710802722 /nfs/dbraw/zinc/80/27/22/710802722.db2.gz AYVLVYXPZLVBGA-NSHDSACASA-N 1 2 236.359 1.751 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC001043500267 710807177 /nfs/dbraw/zinc/80/71/77/710807177.db2.gz HJJCQKRMJRVZGM-UHFFFAOYSA-N 1 2 248.330 1.050 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC001043541794 710809524 /nfs/dbraw/zinc/80/95/24/710809524.db2.gz FWNAWUNFCYTQTM-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(C)[nH]c2C)C1 ZINC001043978973 710816015 /nfs/dbraw/zinc/81/60/15/710816015.db2.gz MOBPJILTNHJDET-UHFFFAOYSA-N 1 2 247.342 1.574 20 30 BDEDLO C[C@H](O)c1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000393749188 711172729 /nfs/dbraw/zinc/17/27/29/711172729.db2.gz MWBZPYDFUPXMMK-QMMMGPOBSA-N 1 2 237.328 1.590 20 30 BDEDLO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](C#N)C2)n1 ZINC000395294938 711207475 /nfs/dbraw/zinc/20/74/75/711207475.db2.gz DILOVGPNZZHEFD-ZDUSSCGKSA-N 1 2 232.331 1.736 20 30 BDEDLO Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C#N)C2)n1 ZINC000395294938 711207476 /nfs/dbraw/zinc/20/74/76/711207476.db2.gz DILOVGPNZZHEFD-ZDUSSCGKSA-N 1 2 232.331 1.736 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cscn1)[C@@H]1CCCO1 ZINC000381196935 710608624 /nfs/dbraw/zinc/60/86/24/710608624.db2.gz BGGSONWRJUASJO-SCVCMEIPSA-N 1 2 236.340 1.975 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001038222050 710678333 /nfs/dbraw/zinc/67/83/33/710678333.db2.gz JCGBKLOFJXKXDX-LLVKDONJSA-N 1 2 245.326 1.014 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001038222050 710678337 /nfs/dbraw/zinc/67/83/37/710678337.db2.gz JCGBKLOFJXKXDX-LLVKDONJSA-N 1 2 245.326 1.014 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038528643 710692177 /nfs/dbraw/zinc/69/21/77/710692177.db2.gz RUOBHCQQKHQPDN-MBNYWOFBSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038528643 710692178 /nfs/dbraw/zinc/69/21/78/710692178.db2.gz RUOBHCQQKHQPDN-MBNYWOFBSA-N 1 2 232.327 1.000 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2CC2)C1 ZINC001042407815 710781550 /nfs/dbraw/zinc/78/15/50/710781550.db2.gz HPNPABRIFJBVQZ-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1C ZINC001038041434 711568672 /nfs/dbraw/zinc/56/86/72/711568672.db2.gz GFDDSGCIJDYXML-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1C ZINC001038041434 711568675 /nfs/dbraw/zinc/56/86/75/711568675.db2.gz GFDDSGCIJDYXML-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO C#CC[C@H](CO)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724382664 711577786 /nfs/dbraw/zinc/57/77/86/711577786.db2.gz VIRNXMHJSOGJMY-SNVBAGLBSA-N 1 2 236.315 1.446 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934565275 711594143 /nfs/dbraw/zinc/59/41/43/711594143.db2.gz LAQYLDFPUMKBFE-STQMWFEESA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934565275 711594144 /nfs/dbraw/zinc/59/41/44/711594144.db2.gz LAQYLDFPUMKBFE-STQMWFEESA-N 1 2 234.274 1.463 20 30 BDEDLO Cn1c[nH+]cc1CCCn1cccc(C#N)c1=O ZINC000314316849 711691041 /nfs/dbraw/zinc/69/10/41/711691041.db2.gz HAVZUHYLZPUKQM-UHFFFAOYSA-N 1 2 242.282 1.086 20 30 BDEDLO N#CCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335333069 711724018 /nfs/dbraw/zinc/72/40/18/711724018.db2.gz SCUKIBJMAIQCIA-SNVBAGLBSA-N 1 2 247.302 1.212 20 30 BDEDLO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928800136 711786817 /nfs/dbraw/zinc/78/68/17/711786817.db2.gz IUQRYUORRLMBPE-YUMQZZPRSA-N 1 2 249.236 1.041 20 30 BDEDLO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928800136 711786818 /nfs/dbraw/zinc/78/68/18/711786818.db2.gz IUQRYUORRLMBPE-YUMQZZPRSA-N 1 2 249.236 1.041 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001038056066 711822498 /nfs/dbraw/zinc/82/24/98/711822498.db2.gz NCJTWVAQKVWJAN-GFCCVEGCSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001038056066 711822499 /nfs/dbraw/zinc/82/24/99/711822499.db2.gz NCJTWVAQKVWJAN-GFCCVEGCSA-N 1 2 246.310 1.334 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001032845120 711961302 /nfs/dbraw/zinc/96/13/02/711961302.db2.gz MOMBKRZPUJGVSX-SNVBAGLBSA-N 1 2 230.739 1.682 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001032845120 711961304 /nfs/dbraw/zinc/96/13/04/711961304.db2.gz MOMBKRZPUJGVSX-SNVBAGLBSA-N 1 2 230.739 1.682 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000701808675 712029331 /nfs/dbraw/zinc/02/93/31/712029331.db2.gz DIRATMXZFBJXSP-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000701808675 712029335 /nfs/dbraw/zinc/02/93/35/712029335.db2.gz DIRATMXZFBJXSP-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000712529741 712441517 /nfs/dbraw/zinc/44/15/17/712441517.db2.gz AXUOFAKDBHGEFY-LLVKDONJSA-N 1 2 208.305 1.934 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000712529741 712441519 /nfs/dbraw/zinc/44/15/19/712441519.db2.gz AXUOFAKDBHGEFY-LLVKDONJSA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCc1ccns1 ZINC000719854835 712826292 /nfs/dbraw/zinc/82/62/92/712826292.db2.gz JBWOMONXYJFVNB-VIFPVBQESA-N 1 2 209.318 1.920 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCc1ccns1 ZINC000719854835 712826293 /nfs/dbraw/zinc/82/62/93/712826293.db2.gz JBWOMONXYJFVNB-VIFPVBQESA-N 1 2 209.318 1.920 20 30 BDEDLO CC(=[NH+]NC[C@@H](C)C#N)c1csc(N)n1 ZINC000308866542 959064345 /nfs/dbraw/zinc/06/43/45/959064345.db2.gz XETOEGQNPKZRPV-LURJTMIESA-N 1 2 223.305 1.199 20 30 BDEDLO Cc1cc(C[NH+]2CCC(S)CC2)n[nH]1 ZINC001203076835 960687273 /nfs/dbraw/zinc/68/72/73/960687273.db2.gz KHXPMNZPVQFGNH-UHFFFAOYSA-N 1 2 211.334 1.612 20 30 BDEDLO Cc1cc[nH+]c(NCCCS)c1C(N)=O ZINC001159870144 964213351 /nfs/dbraw/zinc/21/33/51/964213351.db2.gz KXKQSWZNWOKOGC-UHFFFAOYSA-N 1 2 225.317 1.221 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CCC2CC2)C1 ZINC001483856435 966394369 /nfs/dbraw/zinc/39/43/69/966394369.db2.gz ACGSCHGVIKXBDY-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC001207711637 968865462 /nfs/dbraw/zinc/86/54/62/968865462.db2.gz KTOMIEPSJRTTNM-UHFFFAOYSA-N 1 2 201.273 1.419 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(C2CC2)nc1 ZINC001207711637 968865467 /nfs/dbraw/zinc/86/54/67/968865467.db2.gz KTOMIEPSJRTTNM-UHFFFAOYSA-N 1 2 201.273 1.419 20 30 BDEDLO COC(=O)[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)C#N)CC1 ZINC001208632447 969176299 /nfs/dbraw/zinc/17/62/99/969176299.db2.gz QOPJJZPVIFZTNB-SRVKXCTJSA-N 1 2 238.331 1.810 20 30 BDEDLO COC(=O)[C@H]1CC[C@H](C[N@@H+](C)[C@@H](C)C#N)CC1 ZINC001208632447 969176302 /nfs/dbraw/zinc/17/63/02/969176302.db2.gz QOPJJZPVIFZTNB-SRVKXCTJSA-N 1 2 238.331 1.810 20 30 BDEDLO C#CC[NH+](CC#C)CCN(CC=C)C(=O)OCC ZINC001209024034 969318751 /nfs/dbraw/zinc/31/87/51/969318751.db2.gz QCLRKHIDIWQIIA-UHFFFAOYSA-N 1 2 248.326 1.199 20 30 BDEDLO CCCC[N@@H+](CC#N)CCCC1OCCO1 ZINC001209308215 969437305 /nfs/dbraw/zinc/43/73/05/969437305.db2.gz WWNGYCFLMKUIDR-UHFFFAOYSA-N 1 2 226.320 1.765 20 30 BDEDLO CCCC[N@H+](CC#N)CCCC1OCCO1 ZINC001209308215 969437316 /nfs/dbraw/zinc/43/73/16/969437316.db2.gz WWNGYCFLMKUIDR-UHFFFAOYSA-N 1 2 226.320 1.765 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)CSCC)C(=O)OC ZINC001173290125 975257739 /nfs/dbraw/zinc/25/77/39/975257739.db2.gz CZFKAULHWNEBPG-ZJUUUORDSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OCC ZINC001333001448 975359879 /nfs/dbraw/zinc/35/98/79/975359879.db2.gz VTVUSRXRLWHPJQ-VXGBXAGGSA-N 1 2 241.331 1.509 20 30 BDEDLO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](C)[C@@H](C)C#N)C1 ZINC001173657112 975510526 /nfs/dbraw/zinc/51/05/26/975510526.db2.gz GZRQNKDJVUXTGY-QJPTWQEYSA-N 1 2 238.331 1.952 20 30 BDEDLO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C)[C@@H](C)C#N)C1 ZINC001173657112 975510535 /nfs/dbraw/zinc/51/05/35/975510535.db2.gz GZRQNKDJVUXTGY-QJPTWQEYSA-N 1 2 238.331 1.952 20 30 BDEDLO Cc1cc(OC2C[NH+](C)C2)c(C)cc1C#N ZINC001228144077 975927101 /nfs/dbraw/zinc/92/71/01/975927101.db2.gz NYORBMCUKPGJIG-UHFFFAOYSA-N 1 2 216.284 1.868 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230599219 977269782 /nfs/dbraw/zinc/26/97/82/977269782.db2.gz JYGQLRVDITVQMJ-VIFPVBQESA-N 1 2 232.274 1.360 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230599219 977269797 /nfs/dbraw/zinc/26/97/97/977269797.db2.gz JYGQLRVDITVQMJ-VIFPVBQESA-N 1 2 232.274 1.360 20 30 BDEDLO Cc1ncc(C[N@@H+]2CCC[C@@H](C#N)CC2)[nH]1 ZINC001232463080 978099813 /nfs/dbraw/zinc/09/98/13/978099813.db2.gz BTJKJBROAMHVSN-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1ncc(C[N@H+]2CCC[C@@H](C#N)CC2)[nH]1 ZINC001232463080 978099818 /nfs/dbraw/zinc/09/98/18/978099818.db2.gz BTJKJBROAMHVSN-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1nc(C[N@@H+]2CCC[C@@H](C#N)CC2)c[nH]1 ZINC001232463080 978099826 /nfs/dbraw/zinc/09/98/26/978099826.db2.gz BTJKJBROAMHVSN-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1nc(C[N@H+]2CCC[C@@H](C#N)CC2)c[nH]1 ZINC001232463080 978099833 /nfs/dbraw/zinc/09/98/33/978099833.db2.gz BTJKJBROAMHVSN-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CCC2(C)CC2)C1 ZINC001277682710 978181987 /nfs/dbraw/zinc/18/19/87/978181987.db2.gz VPNAIGCQYPBEIL-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC001232673660 978233969 /nfs/dbraw/zinc/23/39/69/978233969.db2.gz KNFPGSYGZZNJIU-NSHDSACASA-N 1 2 220.247 1.808 20 30 BDEDLO C[NH+]1CC(OCc2cccc(C#N)c2)C1 ZINC001205590081 981141894 /nfs/dbraw/zinc/14/18/94/981141894.db2.gz WJFJWFNJIZOFPK-UHFFFAOYSA-N 1 2 202.257 1.389 20 30 BDEDLO C=CCC[C@@H](O)CNc1cc[nH+]c(OC)c1 ZINC001252589872 983839324 /nfs/dbraw/zinc/83/93/24/983839324.db2.gz ZWIPWLMCIXLHGE-LLVKDONJSA-N 1 2 222.288 1.829 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)CCOC(C)C)C(=O)OC ZINC001172436928 974793151 /nfs/dbraw/zinc/79/31/51/974793151.db2.gz XKLRUBXEPNFRRM-NWDGAFQWSA-N 1 2 243.347 1.897 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC001327553579 972628020 /nfs/dbraw/zinc/62/80/20/972628020.db2.gz GXRVAKRCBMULMR-SNVBAGLBSA-N 1 2 236.319 1.010 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC001327553579 972628027 /nfs/dbraw/zinc/62/80/27/972628027.db2.gz GXRVAKRCBMULMR-SNVBAGLBSA-N 1 2 236.319 1.010 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2cnn(CC)n2)C1 ZINC001328215496 972908052 /nfs/dbraw/zinc/90/80/52/972908052.db2.gz NRQNGJCSSYCBFK-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2cnn(CC)n2)C1 ZINC001328215496 972908063 /nfs/dbraw/zinc/90/80/63/972908063.db2.gz NRQNGJCSSYCBFK-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C)nc1Cl)CC1CC1 ZINC001328504807 973110793 /nfs/dbraw/zinc/11/07/93/973110793.db2.gz CGFWFJDWIIWRIG-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C#CC[N@H+](Cc1cn(C)nc1Cl)CC1CC1 ZINC001328504807 973110812 /nfs/dbraw/zinc/11/08/12/973110812.db2.gz CGFWFJDWIIWRIG-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C[C@H](Cc1ccccn1)[N@H+](C)CCC#N ZINC001256410894 970817861 /nfs/dbraw/zinc/81/78/61/970817861.db2.gz YOSLXHSQSWZWNB-LLVKDONJSA-N 1 2 203.289 1.858 20 30 BDEDLO C[C@H](Cc1ccccn1)[N@@H+](C)CCC#N ZINC001256410894 970817866 /nfs/dbraw/zinc/81/78/66/970817866.db2.gz YOSLXHSQSWZWNB-LLVKDONJSA-N 1 2 203.289 1.858 20 30 BDEDLO COC(=O)C1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001257860181 971505240 /nfs/dbraw/zinc/50/52/40/971505240.db2.gz MYIKLCOFICNOKG-UHFFFAOYSA-N 1 2 236.315 1.564 20 30 BDEDLO C#CC1CC[NH+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000830326368 971865256 /nfs/dbraw/zinc/86/52/56/971865256.db2.gz MGSPXBADEOWOLV-SNVBAGLBSA-N 1 2 249.314 1.622 20 30 BDEDLO C#Cc1ccc(NC(=O)C2(F)C[NH2+]C2)cc1F ZINC001219384128 972011207 /nfs/dbraw/zinc/01/12/07/972011207.db2.gz JPTZBXBWMJJURV-UHFFFAOYSA-N 1 2 236.221 1.057 20 30 BDEDLO C=C[C@H]1C[C@@]1(Nc1c[nH+]cn1C)C(=O)OCC ZINC001170918457 972091218 /nfs/dbraw/zinc/09/12/18/972091218.db2.gz OTJBWZAQBVJGEE-CABZTGNLSA-N 1 2 235.287 1.340 20 30 BDEDLO Cc1cnccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC000705333907 957123152 /nfs/dbraw/zinc/12/31/52/957123152.db2.gz QJIPDNGFIPHTPX-LLVKDONJSA-N 1 2 201.273 1.736 20 30 BDEDLO Cc1cnccc1C[N@H+]1CC[C@H](C#N)C1 ZINC000705333907 957123156 /nfs/dbraw/zinc/12/31/56/957123156.db2.gz QJIPDNGFIPHTPX-LLVKDONJSA-N 1 2 201.273 1.736 20 30 BDEDLO C#CC1CC[NH+]([C@@H](C=C)C(=O)OC)CC1 ZINC000692345363 958616933 /nfs/dbraw/zinc/61/69/33/958616933.db2.gz VMKATBWQPAXHFL-NSHDSACASA-N 1 2 207.273 1.059 20 30 BDEDLO N#CCc1cncc(NCc2cc[nH+]c(N)c2)c1 ZINC001167616992 959077149 /nfs/dbraw/zinc/07/71/49/959077149.db2.gz TYPKTJRGMCRELB-UHFFFAOYSA-N 1 2 239.282 1.737 20 30 BDEDLO C=CC[C@@H](C)C(=O)N(CC)C1C[NH+](C)C1 ZINC001144018256 972482884 /nfs/dbraw/zinc/48/28/84/972482884.db2.gz QWXHJXLUNDFLCA-SNVBAGLBSA-N 1 2 210.321 1.361 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC2(C)CC2)C1 ZINC001267653719 960174272 /nfs/dbraw/zinc/17/42/72/960174272.db2.gz AXVQWPNRGBSCML-UHFFFAOYSA-N 1 2 208.305 1.163 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001144022671 972493541 /nfs/dbraw/zinc/49/35/41/972493541.db2.gz WRWGKUXWIZZICP-SNVBAGLBSA-N 1 2 221.304 1.291 20 30 BDEDLO CC1(C#N)CN(Cc2cccn3cc[nH+]c23)C1 ZINC001142944043 961843586 /nfs/dbraw/zinc/84/35/86/961843586.db2.gz HORKEGABVADPMT-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO C#CCC1(C(=O)NC2C[NH+](CC)C2)CCCCC1 ZINC001268491448 961872135 /nfs/dbraw/zinc/87/21/35/961872135.db2.gz IHMGXBYFLWNIPR-UHFFFAOYSA-N 1 2 248.370 1.781 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225248323 961942988 /nfs/dbraw/zinc/94/29/88/961942988.db2.gz RDVVHBLUBVDHCZ-KLLCGCCRSA-N 1 2 249.285 1.817 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225248323 961943004 /nfs/dbraw/zinc/94/30/04/961943004.db2.gz RDVVHBLUBVDHCZ-KLLCGCCRSA-N 1 2 249.285 1.817 20 30 BDEDLO Cn1c[nH+]cc1CN1CC[C@@H]2SC(=O)C=C2C1 ZINC001204382756 962729578 /nfs/dbraw/zinc/72/95/78/962729578.db2.gz PWXICHYPVIFOCN-NSHDSACASA-N 1 2 249.339 1.194 20 30 BDEDLO Cn1c[nH+]cc1CN1CC[C@H]2SC(=O)C=C2C1 ZINC001204382755 962731119 /nfs/dbraw/zinc/73/11/19/962731119.db2.gz PWXICHYPVIFOCN-LLVKDONJSA-N 1 2 249.339 1.194 20 30 BDEDLO C#CCNc1cc(CC(=O)OCC)cc[nH+]1 ZINC001155655480 963145578 /nfs/dbraw/zinc/14/55/78/963145578.db2.gz FWNNKQXDRIJIGU-UHFFFAOYSA-N 1 2 218.256 1.232 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nncn1C ZINC000135689807 963210099 /nfs/dbraw/zinc/21/00/99/963210099.db2.gz MWXMGTBILMUQMB-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO Cc1c[nH]c2nc(N3CC[NH2+]C[C@@H]3C#N)ccc12 ZINC001156319782 963311085 /nfs/dbraw/zinc/31/10/85/963311085.db2.gz FLSLOFMGDQPFLR-JTQLQIEISA-N 1 2 241.298 1.173 20 30 BDEDLO CSc1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156327790 963316242 /nfs/dbraw/zinc/31/62/42/963316242.db2.gz LYDJNNXCRMELCT-VIFPVBQESA-N 1 2 234.328 1.105 20 30 BDEDLO CCN(c1ncccc1C#N)C1C[NH+](C)C1 ZINC001157454298 963615010 /nfs/dbraw/zinc/61/50/10/963615010.db2.gz UFXABUVADBHSSW-UHFFFAOYSA-N 1 2 216.288 1.094 20 30 BDEDLO CC(C)[NH+]1CC(Nc2nccc(C#N)c2F)C1 ZINC001157532092 963648843 /nfs/dbraw/zinc/64/88/43/963648843.db2.gz RFSDMONJMLHVMI-UHFFFAOYSA-N 1 2 234.278 1.597 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]ccc(C)c1NC(C)=O ZINC001158818323 963933174 /nfs/dbraw/zinc/93/31/74/963933174.db2.gz ZERFJNYXURLBTR-JTQLQIEISA-N 1 2 235.287 1.307 20 30 BDEDLO CCOC(=O)[C@@H](C#N)Nc1cc2[nH]ccc2c[nH+]1 ZINC001159319740 964055634 /nfs/dbraw/zinc/05/56/34/964055634.db2.gz CDVSOLUDMUEZLP-SNVBAGLBSA-N 1 2 244.254 1.430 20 30 BDEDLO N#CC1(Nc2cc(N)cc[nH+]2)CCOCC1 ZINC001161475499 964614452 /nfs/dbraw/zinc/61/44/52/964614452.db2.gz HAAWYIDDFJDKCD-UHFFFAOYSA-N 1 2 218.260 1.148 20 30 BDEDLO N#Cc1ncncc1NCCCn1cc[nH+]c1 ZINC001161684790 964682105 /nfs/dbraw/zinc/68/21/05/964682105.db2.gz PXTGLBXBKLVKSQ-UHFFFAOYSA-N 1 2 228.259 1.047 20 30 BDEDLO Cn1c([NH2+]CC2(C#N)CCC2)cccc1=O ZINC001162412039 964969212 /nfs/dbraw/zinc/96/92/12/964969212.db2.gz JXEAKZDJGZTPRF-UHFFFAOYSA-N 1 2 217.272 1.491 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccncc2)C1 ZINC001042411349 965079394 /nfs/dbraw/zinc/07/93/94/965079394.db2.gz GCCIYZJNJGPHPB-UHFFFAOYSA-N 1 2 245.326 1.414 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001483678870 965437572 /nfs/dbraw/zinc/43/75/72/965437572.db2.gz CRMSOPUKFHGOIY-SECBINFHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001483678870 965437582 /nfs/dbraw/zinc/43/75/82/965437582.db2.gz CRMSOPUKFHGOIY-SECBINFHSA-N 1 2 244.285 1.101 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+](CCC#N)CC(C)C ZINC000088630602 965508117 /nfs/dbraw/zinc/50/81/17/965508117.db2.gz YNXJDEZYPXWHJZ-WUXMJOGZSA-N 1 2 238.331 1.977 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+](CCC#N)CC(C)C ZINC000088630602 965508129 /nfs/dbraw/zinc/50/81/29/965508129.db2.gz YNXJDEZYPXWHJZ-WUXMJOGZSA-N 1 2 238.331 1.977 20 30 BDEDLO N#CCc1ccc[nH+]c1NCC1(CO)CCC1 ZINC001164353185 965855323 /nfs/dbraw/zinc/85/53/23/965855323.db2.gz OZLDLEGXZAJWPA-UHFFFAOYSA-N 1 2 231.299 1.722 20 30 BDEDLO Cc1cc(N2CC[NH2+]C[C@H]2C#N)ncc1Cl ZINC001164642276 965938277 /nfs/dbraw/zinc/93/82/77/965938277.db2.gz TVQYVXGMOFGNSO-SECBINFHSA-N 1 2 236.706 1.345 20 30 BDEDLO CNc1ccc(Nc2ncn(C)c2C#N)c[nH+]1 ZINC001203452492 966048033 /nfs/dbraw/zinc/04/80/33/966048033.db2.gz NOQGJLQYTSUKKJ-UHFFFAOYSA-N 1 2 228.259 1.472 20 30 BDEDLO C#Cc1cc(NC=CC(C)(C)O)cc[nH+]1 ZINC001203210123 966551022 /nfs/dbraw/zinc/55/10/22/966551022.db2.gz XAMRWXZRAHBEGE-SOFGYWHQSA-N 1 2 202.257 1.181 20 30 BDEDLO Cc1cc(NC(=O)c2ccsc2C#N)cc[nH+]1 ZINC001127645287 966552460 /nfs/dbraw/zinc/55/24/60/966552460.db2.gz ZXLZYFFEYGWTOP-UHFFFAOYSA-N 1 2 243.291 1.997 20 30 BDEDLO CNc1ccc(Nc2nnccc2C#N)c[nH+]1 ZINC001203452202 966654657 /nfs/dbraw/zinc/65/46/57/966654657.db2.gz IOIQRSKCQDRZGR-UHFFFAOYSA-N 1 2 226.243 1.529 20 30 BDEDLO C=C(C)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737655 966778534 /nfs/dbraw/zinc/77/85/34/966778534.db2.gz SAKDIRLHCJRMKQ-SSDOTTSWSA-N 1 2 242.216 1.169 20 30 BDEDLO C=C(C)C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737655 966778545 /nfs/dbraw/zinc/77/85/45/966778545.db2.gz SAKDIRLHCJRMKQ-SSDOTTSWSA-N 1 2 242.216 1.169 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)OCCCC)C1 ZINC000692327203 966808662 /nfs/dbraw/zinc/80/86/62/966808662.db2.gz DIEZYPWPNXDOMZ-LBPRGKRZSA-N 1 2 223.316 1.675 20 30 BDEDLO C#C[C@H]1CCC[N@H+](CC(=O)OCCCC)C1 ZINC000692327203 966808666 /nfs/dbraw/zinc/80/86/66/966808666.db2.gz DIEZYPWPNXDOMZ-LBPRGKRZSA-N 1 2 223.316 1.675 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001205744655 967809012 /nfs/dbraw/zinc/80/90/12/967809012.db2.gz KWFXZFUCKAXPEM-SNVBAGLBSA-N 1 2 244.273 1.518 20 30 BDEDLO C#CCNc1cc(C(=O)OC)cc2[nH+]c[nH]c21 ZINC001163367353 968028083 /nfs/dbraw/zinc/02/80/83/968028083.db2.gz VMFLYQYZNUZYDX-UHFFFAOYSA-N 1 2 229.239 1.395 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccn1 ZINC001207015849 968553143 /nfs/dbraw/zinc/55/31/43/968553143.db2.gz IPICOJWMCFKXNO-CNDDSTCGSA-N 1 2 228.299 1.743 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccn1 ZINC001207015849 968553152 /nfs/dbraw/zinc/55/31/52/968553152.db2.gz IPICOJWMCFKXNO-CNDDSTCGSA-N 1 2 228.299 1.743 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@@](C)(O)C=C)C(=O)OC ZINC001252584589 968838881 /nfs/dbraw/zinc/83/88/81/968838881.db2.gz CANNHMTZTTUTHL-NWDGAFQWSA-N 1 2 227.304 1.021 20 30 BDEDLO C=CCC[C@H](O)CNc1c[nH+]ccc1OC ZINC001252587976 968843303 /nfs/dbraw/zinc/84/33/03/968843303.db2.gz INLASFVFZLLNGG-JTQLQIEISA-N 1 2 222.288 1.829 20 30 BDEDLO C=CCC[C@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252602764 968859847 /nfs/dbraw/zinc/85/98/47/968859847.db2.gz GBQAJQJLHIHCFK-JTQLQIEISA-N 1 2 247.285 1.424 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252613259 968869738 /nfs/dbraw/zinc/86/97/38/968869738.db2.gz XWIHJIIXOGMXTG-SNVBAGLBSA-N 1 2 239.319 1.610 20 30 BDEDLO C#CC[NH+]1CCN(CCc2cccc(F)c2)CC1 ZINC001208199627 969128470 /nfs/dbraw/zinc/12/84/70/969128470.db2.gz VDARWWHWIFSNFW-UHFFFAOYSA-N 1 2 246.329 1.619 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001253580101 969255133 /nfs/dbraw/zinc/25/51/33/969255133.db2.gz WHBOKCNAVKDOKV-QWRGUYRKSA-N 1 2 237.303 1.452 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001253580101 969255144 /nfs/dbraw/zinc/25/51/44/969255144.db2.gz WHBOKCNAVKDOKV-QWRGUYRKSA-N 1 2 237.303 1.452 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001253584922 969260924 /nfs/dbraw/zinc/26/09/24/969260924.db2.gz SMCPJIPWYGCTFF-AAEUAGOBSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001253584922 969260933 /nfs/dbraw/zinc/26/09/33/969260933.db2.gz SMCPJIPWYGCTFF-AAEUAGOBSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001253597809 969288605 /nfs/dbraw/zinc/28/86/05/969288605.db2.gz JNODGZKWDYGPNE-GHMZBOCLSA-N 1 2 243.347 1.489 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979249 969297801 /nfs/dbraw/zinc/29/78/01/969297801.db2.gz XUCZYFDCRMDBQQ-GARJFASQSA-N 1 2 225.292 1.714 20 30 BDEDLO COCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001209049625 969333485 /nfs/dbraw/zinc/33/34/85/969333485.db2.gz KTYNMUKOPJAOHP-JTQLQIEISA-N 1 2 227.329 1.297 20 30 BDEDLO COCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209049625 969333500 /nfs/dbraw/zinc/33/35/00/969333500.db2.gz KTYNMUKOPJAOHP-JTQLQIEISA-N 1 2 227.329 1.297 20 30 BDEDLO COCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209049625 969333502 /nfs/dbraw/zinc/33/35/02/969333502.db2.gz KTYNMUKOPJAOHP-JTQLQIEISA-N 1 2 227.329 1.297 20 30 BDEDLO COCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209049625 969333509 /nfs/dbraw/zinc/33/35/09/969333509.db2.gz KTYNMUKOPJAOHP-JTQLQIEISA-N 1 2 227.329 1.297 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007596 969334695 /nfs/dbraw/zinc/33/46/95/969334695.db2.gz OJJLXNIKEDEZKT-VWYCJHECSA-N 1 2 223.276 1.420 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007596 969334702 /nfs/dbraw/zinc/33/47/02/969334702.db2.gz OJJLXNIKEDEZKT-VWYCJHECSA-N 1 2 223.276 1.420 20 30 BDEDLO CN(C)c1cccc(CN2CC[C@](F)(C#N)C2)[nH+]1 ZINC001169299106 969572839 /nfs/dbraw/zinc/57/28/39/969572839.db2.gz ALXFKAUZDLGXDN-ZDUSSCGKSA-N 1 2 248.305 1.585 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1C1CCC2(CC2)CC1 ZINC001254441934 969636352 /nfs/dbraw/zinc/63/63/52/969636352.db2.gz ZWVSZTYHMKPTBS-LBPRGKRZSA-N 1 2 219.332 1.507 20 30 BDEDLO CC(C)c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156319716 969636762 /nfs/dbraw/zinc/63/67/62/969636762.db2.gz BRSWJJKVORBLSH-LBPRGKRZSA-N 1 2 230.315 1.507 20 30 BDEDLO Cc1cc(C)nc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156320586 969637313 /nfs/dbraw/zinc/63/73/13/969637313.db2.gz AJSRWLPWQSRDDL-NSHDSACASA-N 1 2 216.288 1.000 20 30 BDEDLO CC[C@H](C#N)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254934239 969828484 /nfs/dbraw/zinc/82/84/84/969828484.db2.gz IJCVFJUAKYWNFN-LPEHRKFASA-N 1 2 206.289 1.636 20 30 BDEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCOCC1)C(=O)OCC ZINC001255034615 969857005 /nfs/dbraw/zinc/85/70/05/969857005.db2.gz TXYXHNJJWOOUCD-ZWNOBZJWSA-N 1 2 239.315 1.263 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)C(=O)NC ZINC001169979320 969930988 /nfs/dbraw/zinc/93/09/88/969930988.db2.gz KJOROSRUWAUZAB-JTQLQIEISA-N 1 2 233.315 1.665 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001255152892 969959902 /nfs/dbraw/zinc/95/99/02/969959902.db2.gz ICTJMBJPLXIJBJ-WCQYABFASA-N 1 2 243.310 1.832 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC001112832285 970191257 /nfs/dbraw/zinc/19/12/57/970191257.db2.gz OQDFGUZCEZIXMW-UHFFFAOYSA-N 1 2 234.343 1.366 20 30 BDEDLO C[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001170116640 970336409 /nfs/dbraw/zinc/33/64/09/970336409.db2.gz FOOLYXKBZKWQAM-GHMZBOCLSA-N 1 2 208.305 1.837 20 30 BDEDLO COC[C@H](C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001255578020 970377951 /nfs/dbraw/zinc/37/79/51/970377951.db2.gz LZPKEKUAGBGKRK-NSHDSACASA-N 1 2 246.310 1.656 20 30 BDEDLO COc1cc[nH+]c(Nc2ccncc2C#N)c1 ZINC001214002624 970408855 /nfs/dbraw/zinc/40/88/55/970408855.db2.gz YFNWWRKMNXHUED-UHFFFAOYSA-N 1 2 226.239 1.522 20 30 BDEDLO N#Cc1cnccc1Nc1ccn2cc[nH+]c2c1 ZINC001214011251 970416462 /nfs/dbraw/zinc/41/64/62/970416462.db2.gz LUGZOJXKCPBKTB-UHFFFAOYSA-N 1 2 235.250 1.766 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)CC(C)C)CC1 ZINC001113463557 970442631 /nfs/dbraw/zinc/44/26/31/970442631.db2.gz ACKHQBURTRFTPH-ZDUSSCGKSA-N 1 2 238.375 1.999 20 30 BDEDLO CCOC(=O)[C@@H](C#N)Nc1ccn2cc[nH+]c2c1 ZINC001170372977 970731697 /nfs/dbraw/zinc/73/16/97/970731697.db2.gz CVBUUUYPBWFOQI-SNVBAGLBSA-N 1 2 244.254 1.201 20 30 BDEDLO CCC1=C(OCc2c[nH+]cn2C)C(=O)[C@@H](C)O1 ZINC001222593983 972592012 /nfs/dbraw/zinc/59/20/12/972592012.db2.gz AVCDWNJWDDPRSP-MRVPVSSYSA-N 1 2 236.271 1.546 20 30 BDEDLO C[N@H+](Cc1ccncc1)Cc1ccc(C#N)cn1 ZINC001144153762 972634818 /nfs/dbraw/zinc/63/48/18/972634818.db2.gz OHHACIBKBSJFRA-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cn1 ZINC001144153762 972634821 /nfs/dbraw/zinc/63/48/21/972634821.db2.gz OHHACIBKBSJFRA-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCOC1=O ZINC001171179025 972811136 /nfs/dbraw/zinc/81/11/36/972811136.db2.gz OIDYKRJPXYOHPS-GWCFXTLKSA-N 1 2 244.294 1.394 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cncc(C)c2)CC1 ZINC001147401058 973596968 /nfs/dbraw/zinc/59/69/68/973596968.db2.gz QZAVKEFMUMLCJS-UHFFFAOYSA-N 1 2 245.326 1.334 20 30 BDEDLO N#CCC1CC[NH+](Cc2cnon2)CC1 ZINC001329876907 974000033 /nfs/dbraw/zinc/00/00/33/974000033.db2.gz PCUFOHQEEUICTD-UHFFFAOYSA-N 1 2 206.249 1.195 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001330304619 974222867 /nfs/dbraw/zinc/22/28/67/974222867.db2.gz BOBDLLVOAZUVHJ-JHJVBQTASA-N 1 2 245.326 1.752 20 30 BDEDLO C=C1O[C@H](C)C(=O)C1Oc1cc[nH+]cc1 ZINC001225290677 974361676 /nfs/dbraw/zinc/36/16/76/974361676.db2.gz FUBAVZDIBIQLPP-SSDOTTSWSA-N 1 2 205.213 1.680 20 30 BDEDLO CC(=[NH+]NC1=NCCN1)c1c(C)cc(N)cc1C ZINC001330877839 974517069 /nfs/dbraw/zinc/51/70/69/974517069.db2.gz XPOXCLRWDCWLKY-UHFFFAOYSA-N 1 2 245.330 1.158 20 30 BDEDLO CC[C@@H](CC(C)C)N1CC[NH2+]C[C@@H]1C#N ZINC001172396773 974755727 /nfs/dbraw/zinc/75/57/27/974755727.db2.gz NTZLRQWGIYHAJG-RYUDHWBXSA-N 1 2 209.337 1.608 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H](CC)C1)C(=O)OC ZINC001173269510 975140094 /nfs/dbraw/zinc/14/00/94/975140094.db2.gz WIMUQRNUFIBVKL-WOPDTQHZSA-N 1 2 223.316 1.720 20 30 BDEDLO Cc1cc[nH+]c(C)c1O[C@@H]1CCN(CC#N)C1 ZINC001227265554 975343499 /nfs/dbraw/zinc/34/34/99/975343499.db2.gz UDRBQAWXJRSZHB-GFCCVEGCSA-N 1 2 231.299 1.675 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OCC ZINC001333001446 975359321 /nfs/dbraw/zinc/35/93/21/975359321.db2.gz VTVUSRXRLWHPJQ-NWDGAFQWSA-N 1 2 241.331 1.509 20 30 BDEDLO CC1(C#N)C[NH+](CC2CCC(O)CC2)C1 ZINC001333592384 975874380 /nfs/dbraw/zinc/87/43/80/975874380.db2.gz OWEIUXZAFSBFMI-UHFFFAOYSA-N 1 2 208.305 1.383 20 30 BDEDLO C#Cc1cc(Nc2cccnc2OC)cc[nH+]1 ZINC001174040272 976247608 /nfs/dbraw/zinc/24/76/08/976247608.db2.gz BUWABPKGAVEHQG-UHFFFAOYSA-N 1 2 225.251 1.632 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000259643628 976607483 /nfs/dbraw/zinc/60/74/83/976607483.db2.gz BDFNQWGFJXYOKW-LLVKDONJSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000259643628 976607490 /nfs/dbraw/zinc/60/74/90/976607490.db2.gz BDFNQWGFJXYOKW-LLVKDONJSA-N 1 2 226.283 1.908 20 30 BDEDLO Cc1nnc(CC[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC001334771134 976637854 /nfs/dbraw/zinc/63/78/54/976637854.db2.gz WKOKDAGUYBCJHW-LBPRGKRZSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1nnc(CC[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC001334771134 976637861 /nfs/dbraw/zinc/63/78/61/976637861.db2.gz WKOKDAGUYBCJHW-LBPRGKRZSA-N 1 2 234.303 1.546 20 30 BDEDLO CC[NH+]1CC(Oc2ccccc2/C(C)=N/O)C1 ZINC001229742068 976973810 /nfs/dbraw/zinc/97/38/10/976973810.db2.gz XFHQLJGFGWOHLC-GXDHUFHOSA-N 1 2 234.299 1.968 20 30 BDEDLO C#Cc1cc(Nc2ccc(CO)cc2)cc[nH+]1 ZINC001175563200 977548938 /nfs/dbraw/zinc/54/89/38/977548938.db2.gz SXQPAFPSQAUCJH-UHFFFAOYSA-N 1 2 224.263 1.721 20 30 BDEDLO C=CC[NH+]1CCN(Cc2nc(C)ccc2O)CC1 ZINC001231673391 977685226 /nfs/dbraw/zinc/68/52/26/977685226.db2.gz UVWOZNWSTIAGLN-UHFFFAOYSA-N 1 2 247.342 1.399 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232475839 978128128 /nfs/dbraw/zinc/12/81/28/978128128.db2.gz TXLXJMCVOLXJDH-MWLCHTKSSA-N 1 2 219.263 1.886 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001232475839 978128138 /nfs/dbraw/zinc/12/81/38/978128138.db2.gz TXLXJMCVOLXJDH-MWLCHTKSSA-N 1 2 219.263 1.886 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3ncncc23)C1 ZINC001232657774 978220150 /nfs/dbraw/zinc/22/01/50/978220150.db2.gz CJTJNFFEADGTQP-VIFPVBQESA-N 1 2 227.271 1.255 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3ncncc23)C1 ZINC001232657774 978220161 /nfs/dbraw/zinc/22/01/61/978220161.db2.gz CJTJNFFEADGTQP-VIFPVBQESA-N 1 2 227.271 1.255 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232673550 978229003 /nfs/dbraw/zinc/22/90/03/978229003.db2.gz IVFMTKUHGXFZQB-YGRLFVJLSA-N 1 2 246.310 1.467 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1O ZINC001232673550 978229010 /nfs/dbraw/zinc/22/90/10/978229010.db2.gz IVFMTKUHGXFZQB-YGRLFVJLSA-N 1 2 246.310 1.467 20 30 BDEDLO N#Cc1ccc(O)c(C[NH+]2CC=CC2)c1 ZINC001232673488 978232139 /nfs/dbraw/zinc/23/21/39/978232139.db2.gz HWLAWTMCELKKBN-UHFFFAOYSA-N 1 2 200.241 1.636 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC001232673660 978233957 /nfs/dbraw/zinc/23/39/57/978233957.db2.gz KNFPGSYGZZNJIU-NSHDSACASA-N 1 2 220.247 1.808 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)C1CC1 ZINC001232674276 978238409 /nfs/dbraw/zinc/23/84/09/978238409.db2.gz VECGHILZYCOANH-UHFFFAOYSA-N 1 2 202.257 1.858 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C1CC1 ZINC001232674276 978238421 /nfs/dbraw/zinc/23/84/21/978238421.db2.gz VECGHILZYCOANH-UHFFFAOYSA-N 1 2 202.257 1.858 20 30 BDEDLO Cc1[nH]c(CNc2cncc(C#N)n2)[nH+]c1C ZINC001337268712 978256710 /nfs/dbraw/zinc/25/67/10/978256710.db2.gz OSXBIUUBBHUYIV-UHFFFAOYSA-N 1 2 228.259 1.300 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(O)cc(OC)c1 ZINC001232806152 978299007 /nfs/dbraw/zinc/29/90/07/978299007.db2.gz APRVSPTWQSZYBL-UHFFFAOYSA-N 1 2 229.279 1.469 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(C)cc(O)c2)CC1 ZINC001232885290 978326559 /nfs/dbraw/zinc/32/65/59/978326559.db2.gz DQIDLLIWNSUCSK-UHFFFAOYSA-N 1 2 244.338 1.451 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@]23CCOC3)n1 ZINC001232926918 978338333 /nfs/dbraw/zinc/33/83/33/978338333.db2.gz IOSFGSXDCDQFON-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@]23CCOC3)n1 ZINC001232926918 978338350 /nfs/dbraw/zinc/33/83/50/978338350.db2.gz IOSFGSXDCDQFON-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO C[C@@H](C(=O)N1CCC(C)(C#N)CC1)n1cc[nH+]c1 ZINC001337467935 978353687 /nfs/dbraw/zinc/35/36/87/978353687.db2.gz QZTCFLDFQOTREH-NSHDSACASA-N 1 2 246.314 1.596 20 30 BDEDLO CCCO[C@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233043865 978427149 /nfs/dbraw/zinc/42/71/49/978427149.db2.gz IMLWDUTYZVNYHQ-LBPRGKRZSA-N 1 2 233.315 1.887 20 30 BDEDLO CCCO[C@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233043865 978427158 /nfs/dbraw/zinc/42/71/58/978427158.db2.gz IMLWDUTYZVNYHQ-LBPRGKRZSA-N 1 2 233.315 1.887 20 30 BDEDLO CO[C@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046136 978429414 /nfs/dbraw/zinc/42/94/14/978429414.db2.gz NGQKWRYGDQVIDW-JTQLQIEISA-N 1 2 205.261 1.107 20 30 BDEDLO CO[C@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046136 978429412 /nfs/dbraw/zinc/42/94/12/978429412.db2.gz NGQKWRYGDQVIDW-JTQLQIEISA-N 1 2 205.261 1.107 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001233048033 978434139 /nfs/dbraw/zinc/43/41/39/978434139.db2.gz SLOAKGMDHPVEMB-ZDUSSCGKSA-N 1 2 231.299 1.641 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001233048033 978434151 /nfs/dbraw/zinc/43/41/51/978434151.db2.gz SLOAKGMDHPVEMB-ZDUSSCGKSA-N 1 2 231.299 1.641 20 30 BDEDLO C[N@H+](Cc1[nH]ccc1C#N)[C@@H]1CCOC1 ZINC001233047211 978436485 /nfs/dbraw/zinc/43/64/85/978436485.db2.gz RJUVAISWWDILHS-SNVBAGLBSA-N 1 2 205.261 1.107 20 30 BDEDLO C[N@@H+](Cc1[nH]ccc1C#N)[C@@H]1CCOC1 ZINC001233047211 978436493 /nfs/dbraw/zinc/43/64/93/978436493.db2.gz RJUVAISWWDILHS-SNVBAGLBSA-N 1 2 205.261 1.107 20 30 BDEDLO COC(=O)CC[N@H+](Cc1[nH]ccc1C#N)C1CC1 ZINC001233048938 978442298 /nfs/dbraw/zinc/44/22/98/978442298.db2.gz SFKPCBKWGNIJJY-UHFFFAOYSA-N 1 2 247.298 1.414 20 30 BDEDLO COC(=O)CC[N@@H+](Cc1[nH]ccc1C#N)C1CC1 ZINC001233048938 978442303 /nfs/dbraw/zinc/44/23/03/978442303.db2.gz SFKPCBKWGNIJJY-UHFFFAOYSA-N 1 2 247.298 1.414 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001337944923 978573682 /nfs/dbraw/zinc/57/36/82/978573682.db2.gz ZHTHCSYIUXZVEE-VHSXEESVSA-N 1 2 220.276 1.253 20 30 BDEDLO Cc1[nH]c(CNc2ccnc(C#N)c2)[nH+]c1C ZINC001337971729 978580065 /nfs/dbraw/zinc/58/00/65/978580065.db2.gz SWMSDEMXRGGWOR-UHFFFAOYSA-N 1 2 227.271 1.327 20 30 BDEDLO N#CCCN(CCC#N)Cc1cccc(N)[nH+]1 ZINC001233371890 978588304 /nfs/dbraw/zinc/58/83/04/978588304.db2.gz NADXOKTUTVYSHO-UHFFFAOYSA-N 1 2 229.287 1.293 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383404 978590460 /nfs/dbraw/zinc/59/04/60/978590460.db2.gz GKYHSVONDVJUDJ-SNVBAGLBSA-N 1 2 232.283 1.485 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383404 978590470 /nfs/dbraw/zinc/59/04/70/978590470.db2.gz GKYHSVONDVJUDJ-SNVBAGLBSA-N 1 2 232.283 1.485 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233383846 978595978 /nfs/dbraw/zinc/59/59/78/978595978.db2.gz YONKIKPTCKXVMT-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233383846 978595980 /nfs/dbraw/zinc/59/59/80/978595980.db2.gz YONKIKPTCKXVMT-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486787 978613927 /nfs/dbraw/zinc/61/39/27/978613927.db2.gz BUARFVUNCBAEMD-ZDUSSCGKSA-N 1 2 248.282 1.539 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486787 978613933 /nfs/dbraw/zinc/61/39/33/978613933.db2.gz BUARFVUNCBAEMD-ZDUSSCGKSA-N 1 2 248.282 1.539 20 30 BDEDLO C[C@@H](C#N)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178922661 978647740 /nfs/dbraw/zinc/64/77/40/978647740.db2.gz RWDSOAQYLVVNLD-QMMMGPOBSA-N 1 2 232.287 1.064 20 30 BDEDLO C=C(C)CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001338782619 978736373 /nfs/dbraw/zinc/73/63/73/978736373.db2.gz UUBKEARDGBDZIA-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C[NH+]1CC(NC(=O)CC2(C#N)CCCCC2)C1 ZINC001181365955 979061128 /nfs/dbraw/zinc/06/11/28/979061128.db2.gz LBAAGZYJDKHNPJ-UHFFFAOYSA-N 1 2 235.331 1.281 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602803922 979243796 /nfs/dbraw/zinc/24/37/96/979243796.db2.gz INPJAVPURHTKCT-WDEREUQCSA-N 1 2 249.314 1.239 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602803922 979243804 /nfs/dbraw/zinc/24/38/04/979243804.db2.gz INPJAVPURHTKCT-WDEREUQCSA-N 1 2 249.314 1.239 20 30 BDEDLO N#Cc1ccccc1OC1C[NH+](CCCCO)C1 ZINC001237178607 979828580 /nfs/dbraw/zinc/82/85/80/979828580.db2.gz FUPGRHGAACWTEX-UHFFFAOYSA-N 1 2 246.310 1.394 20 30 BDEDLO C=CCCCNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935679 979902070 /nfs/dbraw/zinc/90/20/70/979902070.db2.gz KTLQRSMOMFRYGD-UHFFFAOYSA-N 1 2 233.315 1.679 20 30 BDEDLO COC(=O)Cc1cccc(C[N@H+](C)CCC#N)c1 ZINC001237483357 979911490 /nfs/dbraw/zinc/91/14/90/979911490.db2.gz IWRYLZBJAKQUDQ-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO COC(=O)Cc1cccc(C[N@@H+](C)CCC#N)c1 ZINC001237483357 979911498 /nfs/dbraw/zinc/91/14/98/979911498.db2.gz IWRYLZBJAKQUDQ-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(N)ccnc2F)C1 ZINC001238159168 980188233 /nfs/dbraw/zinc/18/82/33/980188233.db2.gz GWPRSUOPWANALP-SNVBAGLBSA-N 1 2 248.305 1.929 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2c(N)ccnc2F)C1 ZINC001238159168 980188240 /nfs/dbraw/zinc/18/82/40/980188240.db2.gz GWPRSUOPWANALP-SNVBAGLBSA-N 1 2 248.305 1.929 20 30 BDEDLO C#CC[N@@H+](Cc1cc(COC)on1)CC1CC1 ZINC001344566453 980431126 /nfs/dbraw/zinc/43/11/26/980431126.db2.gz KKWMFSXZCPBYFO-UHFFFAOYSA-N 1 2 234.299 1.666 20 30 BDEDLO C#CC[N@H+](Cc1cc(COC)on1)CC1CC1 ZINC001344566453 980431132 /nfs/dbraw/zinc/43/11/32/980431132.db2.gz KKWMFSXZCPBYFO-UHFFFAOYSA-N 1 2 234.299 1.666 20 30 BDEDLO NC(CCO)=[NH+]OCc1cccc2cccnc21 ZINC000121371601 980811949 /nfs/dbraw/zinc/81/19/49/980811949.db2.gz LQQSELHOMTYOJS-UHFFFAOYSA-N 1 2 245.282 1.406 20 30 BDEDLO CCNc1cc(CNC(=O)NCCC#N)cc[nH+]1 ZINC001346424601 980833340 /nfs/dbraw/zinc/83/33/40/980833340.db2.gz CLCZWZNMKKBXHC-UHFFFAOYSA-N 1 2 247.302 1.226 20 30 BDEDLO CCCCCCCCNC(=O)NC1C[NH+](C)C1 ZINC001191074113 980962721 /nfs/dbraw/zinc/96/27/21/980962721.db2.gz GKODLBSKGUXSJZ-UHFFFAOYSA-N 1 2 241.379 1.960 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001347316143 981046738 /nfs/dbraw/zinc/04/67/38/981046738.db2.gz CZMGSAGAOUNUMI-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001347316143 981046742 /nfs/dbraw/zinc/04/67/42/981046742.db2.gz CZMGSAGAOUNUMI-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO Cc1nc(C#N)cnc1-c1ccc2[nH+]ccn2c1 ZINC001240216357 981163492 /nfs/dbraw/zinc/16/34/92/981163492.db2.gz GDXNTSZZYYUNMV-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO Cc1nc(C#N)cc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240217401 981165601 /nfs/dbraw/zinc/16/56/01/981165601.db2.gz OSUOAOUPESEPAJ-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348022608 981253671 /nfs/dbraw/zinc/25/36/71/981253671.db2.gz PNEHPBFNMTZTKJ-SNVBAGLBSA-N 1 2 246.314 1.350 20 30 BDEDLO N#Cc1ccnnc1-c1ccn2cc[nH+]c2c1 ZINC001240496747 981419407 /nfs/dbraw/zinc/41/94/07/981419407.db2.gz RWJISVMWPPZUCF-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO C=CCOC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001194339570 981776623 /nfs/dbraw/zinc/77/66/23/981776623.db2.gz AXFBJQIVZMCBMW-JTQLQIEISA-N 1 2 230.283 1.333 20 30 BDEDLO C=CCOC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001194339570 981776634 /nfs/dbraw/zinc/77/66/34/981776634.db2.gz AXFBJQIVZMCBMW-JTQLQIEISA-N 1 2 230.283 1.333 20 30 BDEDLO C=CCOC(=O)NCc1c[nH+]cn1C(C)C ZINC001194343325 981778633 /nfs/dbraw/zinc/77/86/33/981778633.db2.gz ODBXVXXSNYXRHV-UHFFFAOYSA-N 1 2 223.276 1.876 20 30 BDEDLO Cc1cc(CNC(=O)CSCC#N)cc(C)[nH+]1 ZINC001584184639 981857364 /nfs/dbraw/zinc/85/73/64/981857364.db2.gz TWBWRUKSNQMANN-UHFFFAOYSA-N 1 2 249.339 1.571 20 30 BDEDLO C=C(CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001351153103 982216775 /nfs/dbraw/zinc/21/67/75/982216775.db2.gz QHHONTXHWZLHFT-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001351627586 982347068 /nfs/dbraw/zinc/34/70/68/982347068.db2.gz IGIPVOVYDBCBJV-NEPJUHHUSA-N 1 2 233.315 1.869 20 30 BDEDLO N#Cc1cc(-c2cc[nH+]c3c2CCN3)ccn1 ZINC001241200337 982348126 /nfs/dbraw/zinc/34/81/26/982348126.db2.gz WJPKQODNCFQDHP-UHFFFAOYSA-N 1 2 222.251 1.983 20 30 BDEDLO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001203926843 982892567 /nfs/dbraw/zinc/89/25/67/982892567.db2.gz AJVHQFTZVAPNND-CYBMUJFWSA-N 1 2 243.310 1.990 20 30 BDEDLO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001203926843 982892569 /nfs/dbraw/zinc/89/25/69/982892569.db2.gz AJVHQFTZVAPNND-CYBMUJFWSA-N 1 2 243.310 1.990 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C2CC2)no1 ZINC000691732263 982901033 /nfs/dbraw/zinc/90/10/33/982901033.db2.gz WDTLSOPVXUAYPH-LBPRGKRZSA-N 1 2 219.288 1.839 20 30 BDEDLO N#Cc1ccnc(Nc2ccc(N)[nH+]c2)c1 ZINC001201272423 983173029 /nfs/dbraw/zinc/17/30/29/983173029.db2.gz ODNILSWFSOHQBN-UHFFFAOYSA-N 1 2 211.228 1.674 20 30 BDEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)ccn1 ZINC001201275487 983175304 /nfs/dbraw/zinc/17/53/04/983175304.db2.gz GOCAWRXYVMWRNR-UHFFFAOYSA-N 1 2 211.228 1.096 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCn2cncc21 ZINC001357211166 983675175 /nfs/dbraw/zinc/67/51/75/983675175.db2.gz SVMQDJHVOATXKB-QWRGUYRKSA-N 1 2 229.287 1.361 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2nccc2C1 ZINC001252603617 983843709 /nfs/dbraw/zinc/84/37/09/983843709.db2.gz CFQTYLLKAXOOEI-GFCCVEGCSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCn2nccc2C1 ZINC001252603617 983843711 /nfs/dbraw/zinc/84/37/11/983843711.db2.gz CFQTYLLKAXOOEI-GFCCVEGCSA-N 1 2 221.304 1.026 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(N2CCCC2)o1 ZINC001137070410 983901025 /nfs/dbraw/zinc/90/10/25/983901025.db2.gz JZQIKGCNSMZBEX-UHFFFAOYSA-N 1 2 242.322 1.948 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC001137082604 983929661 /nfs/dbraw/zinc/92/96/61/983929661.db2.gz HVXQNPFYICLNTA-UHFFFAOYSA-N 1 2 226.283 1.975 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC001137082604 983929684 /nfs/dbraw/zinc/92/96/84/983929684.db2.gz HVXQNPFYICLNTA-UHFFFAOYSA-N 1 2 226.283 1.975 20 30 BDEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC001137140394 983968281 /nfs/dbraw/zinc/96/82/81/983968281.db2.gz XOQDTYLVZGKWDO-UHFFFAOYSA-N 1 2 243.270 1.156 20 30 BDEDLO COC[C@H](C[N@@H+]1CC[C@@](F)(C#N)C1)C(C)C ZINC000930253548 984951382 /nfs/dbraw/zinc/95/13/82/984951382.db2.gz VTLRTYMMESWLQP-NWDGAFQWSA-N 1 2 228.311 1.843 20 30 BDEDLO COC[C@H](C[N@H+]1CC[C@@](F)(C#N)C1)C(C)C ZINC000930253548 984951402 /nfs/dbraw/zinc/95/14/02/984951402.db2.gz VTLRTYMMESWLQP-NWDGAFQWSA-N 1 2 228.311 1.843 20 30 BDEDLO C#CC1(F)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001455274244 985063882 /nfs/dbraw/zinc/06/38/82/985063882.db2.gz MNGNNLZUYGFXGH-UHFFFAOYSA-N 1 2 243.241 1.360 20 30 BDEDLO Cc1cnc(C2=C[NH2+]CCC2)c(/C=N/O)c1 ZINC001243949429 985634663 /nfs/dbraw/zinc/63/46/63/985634663.db2.gz KXCPOYCYENFYJG-OVCLIPMQSA-N 1 2 217.272 1.922 20 30 BDEDLO CC[C@H](CC(F)F)C[NH+]1CC(O)(CC#N)C1 ZINC001460001208 985698310 /nfs/dbraw/zinc/69/83/10/985698310.db2.gz IRJSNYDEYLNFHW-SECBINFHSA-N 1 2 232.274 1.628 20 30 BDEDLO CSC(C)(C)C[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258333846 985811362 /nfs/dbraw/zinc/81/13/62/985811362.db2.gz BKBYDYMEIUSRDS-WDEREUQCSA-N 1 2 241.404 1.704 20 30 BDEDLO C=C[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001253571887 986091715 /nfs/dbraw/zinc/09/17/15/986091715.db2.gz KNTKAFPXQZPFHN-SCZZXKLOSA-N 1 2 208.261 1.094 20 30 BDEDLO CC1(C#N)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000796424056 986140985 /nfs/dbraw/zinc/14/09/85/986140985.db2.gz YBCGCFFMDDFVJA-UHFFFAOYSA-N 1 2 240.266 1.320 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001253587067 986174198 /nfs/dbraw/zinc/17/41/98/986174198.db2.gz YJQWQLIGJHTBGK-STQMWFEESA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001253587067 986174215 /nfs/dbraw/zinc/17/42/15/986174215.db2.gz YJQWQLIGJHTBGK-STQMWFEESA-N 1 2 234.299 1.002 20 30 BDEDLO Cc1cccc(CCCN2CC[NH2+]C[C@H]2C#N)c1 ZINC001579759425 986210128 /nfs/dbraw/zinc/21/01/28/986210128.db2.gz HQZHIXLNJFNUCD-OAHLLOKOSA-N 1 2 243.354 1.725 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001253597364 986223346 /nfs/dbraw/zinc/22/33/46/986223346.db2.gz DQTZOUQDWNIQEQ-QWRGUYRKSA-N 1 2 229.320 1.101 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001038031408 986265858 /nfs/dbraw/zinc/26/58/58/986265858.db2.gz RPQSCUYXFZDVKK-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001038031408 986265872 /nfs/dbraw/zinc/26/58/72/986265872.db2.gz RPQSCUYXFZDVKK-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO C[N@H+](CCC#N)Cc1c[nH]c2ncccc12 ZINC001137396287 986874754 /nfs/dbraw/zinc/87/47/54/986874754.db2.gz FGQUYDGDRDBPNI-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1c[nH]c2ncccc12 ZINC001137396287 986874758 /nfs/dbraw/zinc/87/47/58/986874758.db2.gz FGQUYDGDRDBPNI-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C=CCONC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001468106929 986883888 /nfs/dbraw/zinc/88/38/88/986883888.db2.gz BKKIHTYFWIVSPP-UHFFFAOYSA-N 1 2 231.255 1.490 20 30 BDEDLO Cc1cc(-c2ccc(OCC#N)cn2)c[nH+]c1N ZINC001245537978 986918775 /nfs/dbraw/zinc/91/87/75/986918775.db2.gz MXZUPLBTERAJFY-UHFFFAOYSA-N 1 2 240.266 1.937 20 30 BDEDLO C#CC[N@@H+](CCS(=O)(=O)CCC)CC1CC1 ZINC001116365881 987537204 /nfs/dbraw/zinc/53/72/04/987537204.db2.gz DDCFMXPGAAGZRJ-UHFFFAOYSA-N 1 2 243.372 1.156 20 30 BDEDLO C#CC[N@H+](CCS(=O)(=O)CCC)CC1CC1 ZINC001116365881 987537211 /nfs/dbraw/zinc/53/72/11/987537211.db2.gz DDCFMXPGAAGZRJ-UHFFFAOYSA-N 1 2 243.372 1.156 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116914846 987758233 /nfs/dbraw/zinc/75/82/33/987758233.db2.gz GWRXVEWAVYZEBR-GHMZBOCLSA-N 1 2 221.304 1.915 20 30 BDEDLO CNC(=S)N[NH+]=C1CCN(C)c2ccccc21 ZINC001117127602 987783159 /nfs/dbraw/zinc/78/31/59/987783159.db2.gz NTNWCMRXGXBHDQ-UHFFFAOYSA-N 1 2 248.355 1.325 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001118399869 988315198 /nfs/dbraw/zinc/31/51/98/988315198.db2.gz HVPMHNDPOUDVTN-NSHDSACASA-N 1 2 203.289 1.563 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001118399869 988315215 /nfs/dbraw/zinc/31/52/15/988315215.db2.gz HVPMHNDPOUDVTN-NSHDSACASA-N 1 2 203.289 1.563 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001118399866 988319334 /nfs/dbraw/zinc/31/93/34/988319334.db2.gz HVPMHNDPOUDVTN-LLVKDONJSA-N 1 2 203.289 1.563 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001118399866 988319350 /nfs/dbraw/zinc/31/93/50/988319350.db2.gz HVPMHNDPOUDVTN-LLVKDONJSA-N 1 2 203.289 1.563 20 30 BDEDLO Cn1ccc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC001118524688 988412319 /nfs/dbraw/zinc/41/23/19/988412319.db2.gz GLBIFFUXMFLMJI-UHFFFAOYSA-N 1 2 230.275 1.009 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C(C)C)nn1)CC1CC1 ZINC001323711574 988592761 /nfs/dbraw/zinc/59/27/61/988592761.db2.gz IUAPPTDPJCFZLX-UHFFFAOYSA-N 1 2 232.331 1.704 20 30 BDEDLO C#CC[N@H+](Cc1cn(C(C)C)nn1)CC1CC1 ZINC001323711574 988592775 /nfs/dbraw/zinc/59/27/75/988592775.db2.gz IUAPPTDPJCFZLX-UHFFFAOYSA-N 1 2 232.331 1.704 20 30 BDEDLO C[C@@H](C#N)C[N@H+](CCOC(=O)N(C)C)C1CC1 ZINC001324085200 988694141 /nfs/dbraw/zinc/69/41/41/988694141.db2.gz LZPLSSQTYDMQBS-JTQLQIEISA-N 1 2 239.319 1.309 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](CCOC(=O)N(C)C)C1CC1 ZINC001324085200 988694148 /nfs/dbraw/zinc/69/41/48/988694148.db2.gz LZPLSSQTYDMQBS-JTQLQIEISA-N 1 2 239.319 1.309 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OCC ZINC001119301292 988905576 /nfs/dbraw/zinc/90/55/76/988905576.db2.gz AHRVZWFFDHUANN-MXWKQRLJSA-N 1 2 229.320 1.507 20 30 BDEDLO C#Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247511072 988907072 /nfs/dbraw/zinc/90/70/72/988907072.db2.gz CFIWFCWPGVTKKU-UHFFFAOYSA-N 1 2 236.234 1.904 20 30 BDEDLO C=CCCNC(=S)NCCc1[nH+]ccn1C ZINC001247689658 988986741 /nfs/dbraw/zinc/98/67/41/988986741.db2.gz CBKLRWSGENXCES-UHFFFAOYSA-N 1 2 238.360 1.003 20 30 BDEDLO Cc1[nH]c(CNc2nc(C)cc(C#N)n2)[nH+]c1C ZINC001515990292 989133212 /nfs/dbraw/zinc/13/32/12/989133212.db2.gz RXDHBVDZIVUXEG-UHFFFAOYSA-N 1 2 242.286 1.609 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001120008507 989564793 /nfs/dbraw/zinc/56/47/93/989564793.db2.gz TVYZZUNEEUVHSU-RYUDHWBXSA-N 1 2 235.331 1.990 20 30 BDEDLO C#CCC(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001520625915 989583917 /nfs/dbraw/zinc/58/39/17/989583917.db2.gz BTLAPNRZHBKNLA-UHFFFAOYSA-N 1 2 233.315 1.128 20 30 BDEDLO C#C[C@H](C)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001520996204 989630266 /nfs/dbraw/zinc/63/02/66/989630266.db2.gz ZIPPJVHHALXRLB-JTQLQIEISA-N 1 2 246.314 1.334 20 30 BDEDLO C#C[C@@H](C)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001520996205 989630985 /nfs/dbraw/zinc/63/09/85/989630985.db2.gz ZIPPJVHHALXRLB-SNVBAGLBSA-N 1 2 246.314 1.334 20 30 BDEDLO C=C(C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001521722507 989786222 /nfs/dbraw/zinc/78/62/22/989786222.db2.gz XXDPUVIWFUXTDH-UHFFFAOYSA-N 1 2 221.304 1.387 20 30 BDEDLO C[C@H](CC#N)C(=O)OCCCc1c[nH+]cn1C ZINC001122972915 990478163 /nfs/dbraw/zinc/47/81/63/990478163.db2.gz AJPODQNUHUXYNL-SNVBAGLBSA-N 1 2 235.287 1.446 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N[C@@]1(C#N)CC1(C)C ZINC001123788254 990669108 /nfs/dbraw/zinc/66/91/08/990669108.db2.gz RRMWIYGONBKABC-CYBMUJFWSA-N 1 2 246.314 1.161 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001542735205 990671296 /nfs/dbraw/zinc/67/12/96/990671296.db2.gz SPLJIWRMEOPVIB-MFKMUULPSA-N 1 2 246.314 1.254 20 30 BDEDLO N#Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1F ZINC001542781482 990673360 /nfs/dbraw/zinc/67/33/60/990673360.db2.gz TXWAYSYAUSFVOC-UHFFFAOYSA-N 1 2 244.229 1.602 20 30 BDEDLO C=C1CC(C)(C(=O)NCCc2[nH+]ccn2C)C1 ZINC001123928558 990706576 /nfs/dbraw/zinc/70/65/76/990706576.db2.gz IGYRPTIRKNADDY-UHFFFAOYSA-N 1 2 233.315 1.435 20 30 BDEDLO C=CC(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001123934588 990708396 /nfs/dbraw/zinc/70/83/96/990708396.db2.gz ZPSXMCOUUTZRTR-UHFFFAOYSA-N 1 2 221.304 1.291 20 30 BDEDLO CCc1[nH]c(CNC(=O)C#CC(C)C)c[nH+]1 ZINC001558497699 990954951 /nfs/dbraw/zinc/95/49/51/990954951.db2.gz ZOGRJRNDRMANNC-UHFFFAOYSA-N 1 2 219.288 1.248 20 30 BDEDLO CCc1[nH]cc(CNC(=O)C#CC(C)C)[nH+]1 ZINC001558497699 990954960 /nfs/dbraw/zinc/95/49/60/990954960.db2.gz ZOGRJRNDRMANNC-UHFFFAOYSA-N 1 2 219.288 1.248 20 30 BDEDLO COC(=O)CC[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001258376091 991324737 /nfs/dbraw/zinc/32/47/37/991324737.db2.gz ZKHAFXMJIVEDQG-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)CC[C@@H](C)[N@H+]1CCC[C@H](C#N)C1 ZINC001258376091 991324751 /nfs/dbraw/zinc/32/47/51/991324751.db2.gz ZKHAFXMJIVEDQG-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cn2ccncc2n1 ZINC001139696406 991327210 /nfs/dbraw/zinc/32/72/10/991327210.db2.gz KKZOJCLIDMGKJU-UHFFFAOYSA-N 1 2 228.299 1.903 20 30 BDEDLO C=CCn1cc(C[NH+]2CC(C(=O)OCC)C2)cn1 ZINC001139770502 991364773 /nfs/dbraw/zinc/36/47/73/991364773.db2.gz PPFWKQSQNOKMHW-UHFFFAOYSA-N 1 2 249.314 1.064 20 30 BDEDLO C=CCn1cc(C[NH+]2CC(CC(=O)OC)C2)cn1 ZINC001139770683 991365323 /nfs/dbraw/zinc/36/53/23/991365323.db2.gz WQEPALPKBBUBOE-UHFFFAOYSA-N 1 2 249.314 1.064 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCOCC2(C)C)cn1 ZINC001139770699 991366536 /nfs/dbraw/zinc/36/65/36/991366536.db2.gz XOAKBZXNAOKCKZ-UHFFFAOYSA-N 1 2 235.331 1.680 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC001139770699 991366540 /nfs/dbraw/zinc/36/65/40/991366540.db2.gz XOAKBZXNAOKCKZ-UHFFFAOYSA-N 1 2 235.331 1.680 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CC1CC1 ZINC001258449155 991394430 /nfs/dbraw/zinc/39/44/30/991394430.db2.gz XCKRRVNIGBPTPR-CBAPKCEASA-N 1 2 217.334 1.236 20 30 BDEDLO C[C@H](CC1CC1)[NH2+]C1(C#N)CCOCC1 ZINC001258453391 991402828 /nfs/dbraw/zinc/40/28/28/991402828.db2.gz PXPSCKQMUYWMKW-SNVBAGLBSA-N 1 2 208.305 1.837 20 30 BDEDLO C[N@H+](Cc1cc(F)cc(C#N)c1)C1(C)COC1 ZINC001139875509 991406278 /nfs/dbraw/zinc/40/62/78/991406278.db2.gz QYQMLDJOWDQFSN-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO C[N@@H+](Cc1cc(F)cc(C#N)c1)C1(C)COC1 ZINC001139875509 991406282 /nfs/dbraw/zinc/40/62/82/991406282.db2.gz QYQMLDJOWDQFSN-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO CC1(CO)C[NH+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873460 991406827 /nfs/dbraw/zinc/40/68/27/991406827.db2.gz QLKYDWJYWWMJAZ-UHFFFAOYSA-N 1 2 234.274 1.512 20 30 BDEDLO N#Cc1cc(F)cc(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001139873213 991407539 /nfs/dbraw/zinc/40/75/39/991407539.db2.gz FKJQNLZEWLNFHQ-UHFFFAOYSA-N 1 2 246.285 1.654 20 30 BDEDLO C=CC(C)(C)C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001318051879 991616639 /nfs/dbraw/zinc/61/66/39/991616639.db2.gz HFVYTHSZQZETIE-JTQLQIEISA-N 1 2 240.347 1.034 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)C(=O)OC ZINC001560880123 991636387 /nfs/dbraw/zinc/63/63/87/991636387.db2.gz XAVYSANLLRNWBT-RVMXOQNASA-N 1 2 235.327 1.720 20 30 BDEDLO C=C1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC001562742211 991747720 /nfs/dbraw/zinc/74/77/20/991747720.db2.gz AWAJXSZXQCTCNW-UHFFFAOYSA-N 1 2 228.255 1.738 20 30 BDEDLO C=CCn1cnnc1SCCn1cc[nH+]c1 ZINC001319575860 991897581 /nfs/dbraw/zinc/89/75/81/991897581.db2.gz CMAVRSJAYRUWFL-UHFFFAOYSA-N 1 2 235.316 1.453 20 30 BDEDLO C#CCCCC(=O)NCC[N@@H+](C)CC(=C)Cl ZINC001567279030 992000184 /nfs/dbraw/zinc/00/01/84/992000184.db2.gz HVVKRVCXMJOOJM-UHFFFAOYSA-N 1 2 242.750 1.590 20 30 BDEDLO C#CCCCC(=O)NCC[N@H+](C)CC(=C)Cl ZINC001567279030 992000197 /nfs/dbraw/zinc/00/01/97/992000197.db2.gz HVVKRVCXMJOOJM-UHFFFAOYSA-N 1 2 242.750 1.590 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001320547002 992235746 /nfs/dbraw/zinc/23/57/46/992235746.db2.gz DGPJIFIBUYBADR-LLVKDONJSA-N 1 2 222.288 1.626 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001320547002 992235757 /nfs/dbraw/zinc/23/57/57/992235757.db2.gz DGPJIFIBUYBADR-LLVKDONJSA-N 1 2 222.288 1.626 20 30 BDEDLO 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/nfs/dbraw/zinc/22/89/76/136228976.db2.gz VOQZKTXQSJUMGU-LLVKDONJSA-N 1 2 233.315 1.828 20 30 BDEDLO Cc1ccc(C#N)c(N(C)Cc2[nH+]ccn2C)n1 ZINC000062255561 178362665 /nfs/dbraw/zinc/36/26/65/178362665.db2.gz NJWQEWSYRFYEJM-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO Cc1ccc(C#N)c(NCc2[nH+]ccn2C)n1 ZINC000071274302 178364890 /nfs/dbraw/zinc/36/48/90/178364890.db2.gz PMAXFMDDABEHHW-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000189075097 346857307 /nfs/dbraw/zinc/85/73/07/346857307.db2.gz MYPLSYZZCFHFTE-VIFPVBQESA-N 1 2 249.339 1.330 20 30 BDEDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000189075097 346857308 /nfs/dbraw/zinc/85/73/08/346857308.db2.gz MYPLSYZZCFHFTE-VIFPVBQESA-N 1 2 249.339 1.330 20 30 BDEDLO Cc1c[nH]c(CN(CCC#N)C(C)C)[nH+]1 ZINC000600111666 342670400 /nfs/dbraw/zinc/67/04/00/342670400.db2.gz PHFJRFZMPNLRDW-UHFFFAOYSA-N 1 2 206.293 1.842 20 30 BDEDLO CCOC(=O)c1cccc(C[NH2+]C[C@H](C)C#N)n1 ZINC000600143480 342689789 /nfs/dbraw/zinc/68/97/89/342689789.db2.gz CILVXDQHIZDRRC-SNVBAGLBSA-N 1 2 247.298 1.508 20 30 BDEDLO CC(C)Cn1cc(C[NH2+]C[C@H](C)C#N)cn1 ZINC000183833573 346859005 /nfs/dbraw/zinc/85/90/05/346859005.db2.gz WQVQOFZWUUSKKJ-LLVKDONJSA-N 1 2 220.320 1.788 20 30 BDEDLO Cc1c[nH]c(C[NH2+]CC2(C#N)CCC2)n1 ZINC000600165636 342694232 /nfs/dbraw/zinc/69/42/32/342694232.db2.gz SSRUUXANNLJAPQ-UHFFFAOYSA-N 1 2 204.277 1.502 20 30 BDEDLO Cc1c[nH]c(CNCC2(C#N)CCC2)[nH+]1 ZINC000600165636 342694234 /nfs/dbraw/zinc/69/42/34/342694234.db2.gz SSRUUXANNLJAPQ-UHFFFAOYSA-N 1 2 204.277 1.502 20 30 BDEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000042454416 168380935 /nfs/dbraw/zinc/38/09/35/168380935.db2.gz PMCVAMVPFINLMW-LLVKDONJSA-N 1 2 239.363 1.915 20 30 BDEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000042454416 168380939 /nfs/dbraw/zinc/38/09/39/168380939.db2.gz PMCVAMVPFINLMW-LLVKDONJSA-N 1 2 239.363 1.915 20 30 BDEDLO CC[C@@H]1C[N@H+](CCC#N)[C@H](CC)CN1C(C)=O ZINC000472332589 529384469 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/nfs/dbraw/zinc/73/01/74/349730174.db2.gz DLEIDYHOYQQRFG-UHFFFAOYSA-N 1 2 205.261 1.800 20 30 BDEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)CC[S@@](=O)C1 ZINC000602819350 349759742 /nfs/dbraw/zinc/75/97/42/349759742.db2.gz HJHKDTAPIAQVBM-MEDUHNTESA-N 1 2 240.372 1.381 20 30 BDEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC[S@@](=O)C1 ZINC000602819350 349759746 /nfs/dbraw/zinc/75/97/46/349759746.db2.gz HJHKDTAPIAQVBM-MEDUHNTESA-N 1 2 240.372 1.381 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CC[S@@](=O)C1 ZINC000602819348 349760015 /nfs/dbraw/zinc/76/00/15/349760015.db2.gz HJHKDTAPIAQVBM-BDJLRTHQSA-N 1 2 240.372 1.381 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC[S@@](=O)C1 ZINC000602819348 349760020 /nfs/dbraw/zinc/76/00/20/349760020.db2.gz HJHKDTAPIAQVBM-BDJLRTHQSA-N 1 2 240.372 1.381 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602783395 349748291 /nfs/dbraw/zinc/74/82/91/349748291.db2.gz YZGSNLXTDGCVDC-UVWXRNBGSA-N 1 2 240.372 1.522 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CC1(CC#N)CC1 ZINC000602783395 349748294 /nfs/dbraw/zinc/74/82/94/349748294.db2.gz YZGSNLXTDGCVDC-UVWXRNBGSA-N 1 2 240.372 1.522 20 30 BDEDLO CC(C)CN1CC[N@H+](CC2(CC#N)CC2)CC1=O ZINC000602810598 349754726 /nfs/dbraw/zinc/75/47/26/349754726.db2.gz GYXWEBXGXXVVAH-UHFFFAOYSA-N 1 2 249.358 1.480 20 30 BDEDLO CC(C)CN1CC[N@@H+](CC2(CC#N)CC2)CC1=O ZINC000602810598 349754729 /nfs/dbraw/zinc/75/47/29/349754729.db2.gz GYXWEBXGXXVVAH-UHFFFAOYSA-N 1 2 249.358 1.480 20 30 BDEDLO C[C@@H](C#N)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000331937381 136263285 /nfs/dbraw/zinc/26/32/85/136263285.db2.gz JBBLAKORNAHQRJ-WCQYABFASA-N 1 2 243.310 1.289 20 30 BDEDLO C[C@@H](C#N)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000331937381 136263286 /nfs/dbraw/zinc/26/32/86/136263286.db2.gz JBBLAKORNAHQRJ-WCQYABFASA-N 1 2 243.310 1.289 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000602860369 349771650 /nfs/dbraw/zinc/77/16/50/349771650.db2.gz BBHUHKHUEFEGSZ-NSHDSACASA-N 1 2 248.330 1.221 20 30 BDEDLO CC[C@H](C)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352466402 136263892 /nfs/dbraw/zinc/26/38/92/136263892.db2.gz COUIHXCKVSGHBP-JTQLQIEISA-N 1 2 241.310 1.229 20 30 BDEDLO CCC(=O)N1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602849027 349784895 /nfs/dbraw/zinc/78/48/95/349784895.db2.gz ZPCWRZHHQONPMS-UHFFFAOYSA-N 1 2 221.304 1.192 20 30 BDEDLO CCC(=O)N1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602849027 349784898 /nfs/dbraw/zinc/78/48/98/349784898.db2.gz ZPCWRZHHQONPMS-UHFFFAOYSA-N 1 2 221.304 1.192 20 30 BDEDLO C=CC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000372283861 136269338 /nfs/dbraw/zinc/26/93/38/136269338.db2.gz VIVMZLRCOBHVKB-UHFFFAOYSA-N 1 2 207.248 1.515 20 30 BDEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)on1 ZINC000602864597 349797355 /nfs/dbraw/zinc/79/73/55/349797355.db2.gz SYKVGPDDAOTMJI-APPZFPTMSA-N 1 2 236.275 1.202 20 30 BDEDLO CC[N@H+](CCC#N)CCc1ccccn1 ZINC000042454553 136272759 /nfs/dbraw/zinc/27/27/59/136272759.db2.gz MADKSNHNLLCVOA-UHFFFAOYSA-N 1 2 203.289 1.860 20 30 BDEDLO CC[N@@H+](CCC#N)CCc1ccccn1 ZINC000042454553 136272760 /nfs/dbraw/zinc/27/27/60/136272760.db2.gz MADKSNHNLLCVOA-UHFFFAOYSA-N 1 2 203.289 1.860 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(C)C ZINC000161214806 343204724 /nfs/dbraw/zinc/20/47/24/343204724.db2.gz OYEBETHVUFOVPH-SNVBAGLBSA-N 1 2 211.309 1.040 20 30 BDEDLO NC(COc1cccc(F)c1)=[NH+]OCC1CC1 ZINC000186828811 136275623 /nfs/dbraw/zinc/27/56/23/136275623.db2.gz IXBWDPKRLRCPRA-UHFFFAOYSA-N 1 2 238.262 1.903 20 30 BDEDLO COC(=O)c1cc(C[NH2+][C@H](C)CC#N)cs1 ZINC000602869882 349801078 /nfs/dbraw/zinc/80/10/78/349801078.db2.gz JIYGTBWODDGRNI-MRVPVSSYSA-N 1 2 238.312 1.926 20 30 BDEDLO CC#CCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000274104306 136284691 /nfs/dbraw/zinc/28/46/91/136284691.db2.gz UAYWAHUMBLELMA-LLVKDONJSA-N 1 2 226.320 1.750 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(CO)ccc1F ZINC000602871728 349803670 /nfs/dbraw/zinc/80/36/70/349803670.db2.gz VJOUFUWRQULTJL-SECBINFHSA-N 1 2 222.263 1.710 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000609030967 343261189 /nfs/dbraw/zinc/26/11/89/343261189.db2.gz YOSCPQOJCZORNC-YPMHNXCESA-N 1 2 245.326 1.708 20 30 BDEDLO N#CCC[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000025303214 343262280 /nfs/dbraw/zinc/26/22/80/343262280.db2.gz VGNKNIDJZDYWQR-UHFFFAOYSA-N 1 2 231.299 1.278 20 30 BDEDLO N#CCC[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000025303214 343262282 /nfs/dbraw/zinc/26/22/82/343262282.db2.gz VGNKNIDJZDYWQR-UHFFFAOYSA-N 1 2 231.299 1.278 20 30 BDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(N)=O ZINC000298248675 343265048 /nfs/dbraw/zinc/26/50/48/343265048.db2.gz SZXFYFOPVCMOKA-SNVBAGLBSA-N 1 2 236.290 1.688 20 30 BDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(N)=O ZINC000298248675 343265050 /nfs/dbraw/zinc/26/50/50/343265050.db2.gz SZXFYFOPVCMOKA-SNVBAGLBSA-N 1 2 236.290 1.688 20 30 BDEDLO CC1(C)C[NH+](CC(=O)NCC2(CC#N)CC2)C1 ZINC000569824863 323041734 /nfs/dbraw/zinc/04/17/34/323041734.db2.gz KBHUVIRZQHDFEW-UHFFFAOYSA-N 1 2 235.331 1.138 20 30 BDEDLO CC(C)[C@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609168552 343324569 /nfs/dbraw/zinc/32/45/69/343324569.db2.gz AIVSFFUREGBTQI-ZDUSSCGKSA-N 1 2 248.330 1.718 20 30 BDEDLO Cn1cc(C[NH+]2CCC(F)(C#N)CC2)cc1C#N ZINC000348714472 136294734 /nfs/dbraw/zinc/29/47/34/136294734.db2.gz ZAPZECOKSDPTQB-UHFFFAOYSA-N 1 2 246.289 1.724 20 30 BDEDLO CC(C)[C@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584056363 343308314 /nfs/dbraw/zinc/30/83/14/343308314.db2.gz NMVSKOSXDBHNEL-AAEUAGOBSA-N 1 2 248.330 1.889 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000192237684 259358815 /nfs/dbraw/zinc/35/88/15/259358815.db2.gz CYKCBRZQHLLWHK-JHJVBQTASA-N 1 2 236.359 1.492 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000192237684 259358817 /nfs/dbraw/zinc/35/88/17/259358817.db2.gz CYKCBRZQHLLWHK-JHJVBQTASA-N 1 2 236.359 1.492 20 30 BDEDLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000329322622 136364924 /nfs/dbraw/zinc/36/49/24/136364924.db2.gz HCRFBDICYTVODR-SNVBAGLBSA-N 1 2 247.298 1.381 20 30 BDEDLO Cn1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000329348922 136365270 /nfs/dbraw/zinc/36/52/70/136365270.db2.gz DQYVFJRWFIOUCN-VIFPVBQESA-N 1 2 245.286 1.467 20 30 BDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000329639138 136368467 /nfs/dbraw/zinc/36/84/67/136368467.db2.gz WJORGPHEXJCCHP-SECBINFHSA-N 1 2 248.330 1.665 20 30 BDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000329639138 136368468 /nfs/dbraw/zinc/36/84/68/136368468.db2.gz WJORGPHEXJCCHP-SECBINFHSA-N 1 2 248.330 1.665 20 30 BDEDLO Cc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000379975887 365772403 /nfs/dbraw/zinc/77/24/03/365772403.db2.gz DHHUPUXDGMYDTC-UHFFFAOYSA-N 1 2 202.261 1.313 20 30 BDEDLO CCOC(=O)C12CC(C1)C[N@@H+]2CC1(CC#N)CC1 ZINC000602903265 349817457 /nfs/dbraw/zinc/81/74/57/349817457.db2.gz NZNZUFKUVJZETH-UHFFFAOYSA-N 1 2 248.326 1.708 20 30 BDEDLO CCOC(=O)C12CC(C1)C[N@H+]2CC1(CC#N)CC1 ZINC000602903265 349817460 /nfs/dbraw/zinc/81/74/60/349817460.db2.gz NZNZUFKUVJZETH-UHFFFAOYSA-N 1 2 248.326 1.708 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000071140367 343621600 /nfs/dbraw/zinc/62/16/00/343621600.db2.gz LTMQLSCPKIQPBM-ZDUSSCGKSA-N 1 2 234.274 1.654 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000071140367 343621601 /nfs/dbraw/zinc/62/16/01/343621601.db2.gz LTMQLSCPKIQPBM-ZDUSSCGKSA-N 1 2 234.274 1.654 20 30 BDEDLO COc1nccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602982561 349835246 /nfs/dbraw/zinc/83/52/46/349835246.db2.gz UVCCDBNLVBNDOE-PWSUYJOCSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1nccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602982561 349835248 /nfs/dbraw/zinc/83/52/48/349835248.db2.gz UVCCDBNLVBNDOE-PWSUYJOCSA-N 1 2 246.314 1.609 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974923 349839522 /nfs/dbraw/zinc/83/95/22/349839522.db2.gz VWBDXDAJEAITED-SRVKXCTJSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974923 349839527 /nfs/dbraw/zinc/83/95/27/349839527.db2.gz VWBDXDAJEAITED-SRVKXCTJSA-N 1 2 237.347 1.525 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCc1ccc(C)nc1 ZINC000491654455 259368854 /nfs/dbraw/zinc/36/88/54/259368854.db2.gz AEHSHOXDOYVBHX-HNNXBMFYSA-N 1 2 244.338 1.657 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000491654455 259368855 /nfs/dbraw/zinc/36/88/55/259368855.db2.gz AEHSHOXDOYVBHX-HNNXBMFYSA-N 1 2 244.338 1.657 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603001214 349852103 /nfs/dbraw/zinc/85/21/03/349852103.db2.gz BBWOPEWOWZXNKR-LBPRGKRZSA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603001214 349852106 /nfs/dbraw/zinc/85/21/06/349852106.db2.gz BBWOPEWOWZXNKR-LBPRGKRZSA-N 1 2 227.304 1.217 20 30 BDEDLO COC(=O)C1([NH2+]CCCC#N)CCCC1 ZINC000089422452 343746468 /nfs/dbraw/zinc/74/64/68/343746468.db2.gz IUNYTFQAAVYRCO-UHFFFAOYSA-N 1 2 210.277 1.366 20 30 BDEDLO N#CCCN(Cc1c[nH+]c[nH]1)Cc1ccco1 ZINC000179542205 346988174 /nfs/dbraw/zinc/98/81/74/346988174.db2.gz WFTCXNBVBGENQU-UHFFFAOYSA-N 1 2 230.271 1.919 20 30 BDEDLO N#CCCN(Cc1c[nH]c[nH+]1)Cc1ccco1 ZINC000179542205 346988180 /nfs/dbraw/zinc/98/81/80/346988180.db2.gz WFTCXNBVBGENQU-UHFFFAOYSA-N 1 2 230.271 1.919 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000334200431 343835789 /nfs/dbraw/zinc/83/57/89/343835789.db2.gz OFSFXOCPGVLMSN-LLVKDONJSA-N 1 2 224.235 1.058 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000334200431 343835790 /nfs/dbraw/zinc/83/57/90/343835790.db2.gz OFSFXOCPGVLMSN-LLVKDONJSA-N 1 2 224.235 1.058 20 30 BDEDLO Cn1c[nH+]cc1CSc1cc(C#N)ccn1 ZINC000334515886 343889116 /nfs/dbraw/zinc/88/91/16/343889116.db2.gz SIUZKNWMQKRJJP-UHFFFAOYSA-N 1 2 230.296 1.979 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334602906 343894230 /nfs/dbraw/zinc/89/42/30/343894230.db2.gz SPQFGFSDCPHRCE-ZDUSSCGKSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334602906 343894232 /nfs/dbraw/zinc/89/42/32/343894232.db2.gz SPQFGFSDCPHRCE-ZDUSSCGKSA-N 1 2 246.285 1.654 20 30 BDEDLO CCc1nc(C)c(C[NH2+][C@H](C)CC#N)o1 ZINC000393626003 343902919 /nfs/dbraw/zinc/90/29/19/343902919.db2.gz XRBYRYFGZPHLCI-MRVPVSSYSA-N 1 2 207.277 1.937 20 30 BDEDLO Cc1cc(N2CC[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000335096307 343927458 /nfs/dbraw/zinc/92/74/58/343927458.db2.gz NITNBWGAOBHOEM-SNVBAGLBSA-N 1 2 205.236 1.810 20 30 BDEDLO C=CC[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000625702764 344047010 /nfs/dbraw/zinc/04/70/10/344047010.db2.gz OQAXWWNDCUKSKV-SNVBAGLBSA-N 1 2 206.293 1.245 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000625702764 344047012 /nfs/dbraw/zinc/04/70/12/344047012.db2.gz OQAXWWNDCUKSKV-SNVBAGLBSA-N 1 2 206.293 1.245 20 30 BDEDLO C=CCCn1cc(C[NH+](C2CC2)C2CC2)nn1 ZINC000625840955 344092480 /nfs/dbraw/zinc/09/24/80/344092480.db2.gz GMOROHVJJRCZOA-UHFFFAOYSA-N 1 2 232.331 1.981 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000081565411 344145427 /nfs/dbraw/zinc/14/54/27/344145427.db2.gz VBUIDMHILVKNFC-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO C=CCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000081565411 344145429 /nfs/dbraw/zinc/14/54/29/344145429.db2.gz VBUIDMHILVKNFC-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO C=CCNC(=O)NCCCCn1cc[nH+]c1 ZINC000071999834 344476375 /nfs/dbraw/zinc/47/63/75/344476375.db2.gz WHTAPTHIHRYFTO-UHFFFAOYSA-N 1 2 222.292 1.149 20 30 BDEDLO Cn1ccnc1C[NH2+]Cc1ccc(C#N)s1 ZINC000135498888 344484527 /nfs/dbraw/zinc/48/45/27/344484527.db2.gz OASKXJXMVRBYCF-UHFFFAOYSA-N 1 2 232.312 1.643 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)C(=O)OC ZINC000381475088 344510410 /nfs/dbraw/zinc/51/04/10/344510410.db2.gz QFSCLJLUXPZDTL-OUAUKWLOSA-N 1 2 227.304 1.119 20 30 BDEDLO Cc1noc([C@@H](C)[NH2+]CC2(CC#N)CC2)n1 ZINC000381481391 344511603 /nfs/dbraw/zinc/51/16/03/344511603.db2.gz STWAKWGPCWQBAI-MRVPVSSYSA-N 1 2 220.276 1.723 20 30 BDEDLO Cc1ccnc(NC(=O)C[N@H+](C)CCCC#N)c1 ZINC000069013388 344536231 /nfs/dbraw/zinc/53/62/31/344536231.db2.gz PLFDBGXFJLILFB-UHFFFAOYSA-N 1 2 246.314 1.564 20 30 BDEDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCCC#N)c1 ZINC000069013388 344536233 /nfs/dbraw/zinc/53/62/33/344536233.db2.gz PLFDBGXFJLILFB-UHFFFAOYSA-N 1 2 246.314 1.564 20 30 BDEDLO C=C[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)C(=O)OC ZINC000381705717 344537994 /nfs/dbraw/zinc/53/79/94/344537994.db2.gz JFJBGOFUIRUKTR-VWYCJHECSA-N 1 2 227.304 1.119 20 30 BDEDLO CCOCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000181593053 347065324 /nfs/dbraw/zinc/06/53/24/347065324.db2.gz MWWAHYCZZILBES-UHFFFAOYSA-N 1 2 243.332 1.319 20 30 BDEDLO CC[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H](C)O1 ZINC000112560537 344645518 /nfs/dbraw/zinc/64/55/18/344645518.db2.gz DCJXOSMVIZZRQE-RWMBFGLXSA-N 1 2 235.331 1.929 20 30 BDEDLO CC[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@H](C)O1 ZINC000112560537 344645519 /nfs/dbraw/zinc/64/55/19/344645519.db2.gz DCJXOSMVIZZRQE-RWMBFGLXSA-N 1 2 235.331 1.929 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534595 344774120 /nfs/dbraw/zinc/77/41/20/344774120.db2.gz WPDITKVKACMCGG-SNVBAGLBSA-N 1 2 246.314 1.665 20 30 BDEDLO C[C@@H](Nc1nccnc1C#N)c1[nH]cc[nH+]1 ZINC000135602699 344781718 /nfs/dbraw/zinc/78/17/18/344781718.db2.gz GIMMBFYQVHEUGU-SSDOTTSWSA-N 1 2 214.232 1.244 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)C(F)(F)F ZINC000068876764 133529940 /nfs/dbraw/zinc/52/99/40/133529940.db2.gz JVTUHBVFSOQKBQ-SFYZADRCSA-N 1 2 224.226 1.391 20 30 BDEDLO C[C@H](C#N)CN(C)CC[N@H+](C)C[C@H](C)C#N ZINC000358977727 344892354 /nfs/dbraw/zinc/89/23/54/344892354.db2.gz LKBZKKGNULFYCS-VXGBXAGGSA-N 1 2 222.336 1.169 20 30 BDEDLO C[C@H](C#N)CN(C)CC[N@@H+](C)C[C@H](C)C#N ZINC000358977727 344892355 /nfs/dbraw/zinc/89/23/55/344892355.db2.gz LKBZKKGNULFYCS-VXGBXAGGSA-N 1 2 222.336 1.169 20 30 BDEDLO C[N@@H+](Cc1cccnc1)C[C@H](C#N)CCC#N ZINC000121000668 344907527 /nfs/dbraw/zinc/90/75/27/344907527.db2.gz FWTOXXYHSSIULX-LBPRGKRZSA-N 1 2 228.299 1.957 20 30 BDEDLO C[N@H+](Cc1cccnc1)C[C@H](C#N)CCC#N ZINC000121000668 344907528 /nfs/dbraw/zinc/90/75/28/344907528.db2.gz FWTOXXYHSSIULX-LBPRGKRZSA-N 1 2 228.299 1.957 20 30 BDEDLO N#C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000583436779 344955824 /nfs/dbraw/zinc/95/58/24/344955824.db2.gz DKPSWAQDSLUJHI-VHSXEESVSA-N 1 2 232.287 1.151 20 30 BDEDLO N#C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000583436779 344955827 /nfs/dbraw/zinc/95/58/27/344955827.db2.gz DKPSWAQDSLUJHI-VHSXEESVSA-N 1 2 232.287 1.151 20 30 BDEDLO CCc1nn(C)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000330633360 344950511 /nfs/dbraw/zinc/95/05/11/344950511.db2.gz JZWGWLLBUUMBLK-UHFFFAOYSA-N 1 2 247.302 1.519 20 30 BDEDLO Cc1cc(N[C@@H]2C=C[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000425239402 192084504 /nfs/dbraw/zinc/08/45/04/192084504.db2.gz WSEVYFJJROLRON-CMPLNLGQSA-N 1 2 229.283 1.033 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc[nH+]cc1F ZINC000641620673 362555532 /nfs/dbraw/zinc/55/55/32/362555532.db2.gz XUBRYQFMKWYFJM-MNOVXSKESA-N 1 2 208.236 1.398 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000248124529 345343243 /nfs/dbraw/zinc/34/32/43/345343243.db2.gz VBJZKNLANULLKQ-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000248124529 345343246 /nfs/dbraw/zinc/34/32/46/345343246.db2.gz VBJZKNLANULLKQ-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO CC[N@H+](CCC#N)CCn1nc(C)cc1C ZINC000081040280 345459724 /nfs/dbraw/zinc/45/97/24/345459724.db2.gz MRKYFQVBEKDUCS-UHFFFAOYSA-N 1 2 220.320 1.736 20 30 BDEDLO CC[N@@H+](CCC#N)CCn1nc(C)cc1C ZINC000081040280 345459725 /nfs/dbraw/zinc/45/97/25/345459725.db2.gz MRKYFQVBEKDUCS-UHFFFAOYSA-N 1 2 220.320 1.736 20 30 BDEDLO C[N@@H+]1CCO[C@@H](CSc2ncccc2C#N)C1 ZINC000400749539 345733414 /nfs/dbraw/zinc/73/34/14/345733414.db2.gz CDPALTRQYOAHPS-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@@H](CSc2ncccc2C#N)C1 ZINC000400749539 345733417 /nfs/dbraw/zinc/73/34/17/345733417.db2.gz CDPALTRQYOAHPS-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO C[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000140894071 345824645 /nfs/dbraw/zinc/82/46/45/345824645.db2.gz BXOGAVNVVDEAOB-UHFFFAOYSA-N 1 2 236.706 1.358 20 30 BDEDLO C=C[C@@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635673859 345971894 /nfs/dbraw/zinc/97/18/94/345971894.db2.gz KWXGNXQHJZGCGQ-MRVPVSSYSA-N 1 2 207.277 1.205 20 30 BDEDLO Cc1cc(N)nc(S[C@H](C#N)C2CC2)[nH+]1 ZINC000601072773 346013309 /nfs/dbraw/zinc/01/33/09/346013309.db2.gz SGPKXWDRSOQAAV-MRVPVSSYSA-N 1 2 220.301 1.592 20 30 BDEDLO COc1ccc(C[NH2+][C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000609449278 346076833 /nfs/dbraw/zinc/07/68/33/346076833.db2.gz SXXHRKLAQHTSLI-SECBINFHSA-N 1 2 249.270 1.995 20 30 BDEDLO CCOC1CC(C[N@@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000586770456 346092884 /nfs/dbraw/zinc/09/28/84/346092884.db2.gz UORHZCCFWZQRSU-HTAVTVPLSA-N 1 2 226.295 1.739 20 30 BDEDLO CCOC1CC(C[N@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000586770456 346092887 /nfs/dbraw/zinc/09/28/87/346092887.db2.gz UORHZCCFWZQRSU-HTAVTVPLSA-N 1 2 226.295 1.739 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339760902 323119478 /nfs/dbraw/zinc/11/94/78/323119478.db2.gz XCCJAKWJZRECBN-UHFFFAOYSA-N 1 2 234.255 1.756 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339760902 323119479 /nfs/dbraw/zinc/11/94/79/323119479.db2.gz XCCJAKWJZRECBN-UHFFFAOYSA-N 1 2 234.255 1.756 20 30 BDEDLO CCCCc1cc(NCCCC#N)nc[nH+]1 ZINC000601140926 346349238 /nfs/dbraw/zinc/34/92/38/346349238.db2.gz DGAHVMLFNWBHJY-UHFFFAOYSA-N 1 2 218.304 1.957 20 30 BDEDLO N#CC1(C(=O)NCCc2[nH]cc[nH+]2)CC2(CC2)C1 ZINC000601142021 346357697 /nfs/dbraw/zinc/35/76/97/346357697.db2.gz KZDBUAWOZJVCOF-UHFFFAOYSA-N 1 2 244.298 1.152 20 30 BDEDLO CCN(CC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000580081581 346515387 /nfs/dbraw/zinc/51/53/87/346515387.db2.gz VIRBBYNTWOIYBM-SNVBAGLBSA-N 1 2 220.276 1.206 20 30 BDEDLO Cc1nsc(N(C)Cc2[nH]cc[nH+]2)c1C#N ZINC000587979829 346609542 /nfs/dbraw/zinc/60/95/42/346609542.db2.gz XQSUEWNQTIEPDV-UHFFFAOYSA-N 1 2 233.300 1.683 20 30 BDEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000336764212 259391720 /nfs/dbraw/zinc/39/17/20/259391720.db2.gz MZHJVRZQCVFMRS-HBNTYKKESA-N 1 2 229.320 1.365 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000301018613 346567640 /nfs/dbraw/zinc/56/76/40/346567640.db2.gz IXPWDCMNOINSGO-ZJUUUORDSA-N 1 2 211.305 1.882 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC=CCC2)n1 ZINC000589510675 346710219 /nfs/dbraw/zinc/71/02/19/346710219.db2.gz GLBUPYOPORBHPX-UHFFFAOYSA-N 1 2 205.286 1.777 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC=CCC2)n1 ZINC000589510675 346710221 /nfs/dbraw/zinc/71/02/21/346710221.db2.gz GLBUPYOPORBHPX-UHFFFAOYSA-N 1 2 205.286 1.777 20 30 BDEDLO Cc1nn(Cc2ccc[nH+]c2C)c(N)c1C#N ZINC000589265639 346681933 /nfs/dbraw/zinc/68/19/33/346681933.db2.gz DKFXJSSWYKCDEQ-UHFFFAOYSA-N 1 2 227.271 1.397 20 30 BDEDLO Cc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)ccc1C#N ZINC000590006139 346763105 /nfs/dbraw/zinc/76/31/05/346763105.db2.gz XNJWZQZDQWRCRS-KGLIPLIRSA-N 1 2 228.295 1.840 20 30 BDEDLO Cc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)ccc1C#N ZINC000590006139 346763109 /nfs/dbraw/zinc/76/31/09/346763109.db2.gz XNJWZQZDQWRCRS-KGLIPLIRSA-N 1 2 228.295 1.840 20 30 BDEDLO N#C[C@@H]1C[N@H+](CC2CC2)CCN1C1CC1 ZINC000363841565 347115782 /nfs/dbraw/zinc/11/57/82/347115782.db2.gz JFQUYLPWBQDQNF-GFCCVEGCSA-N 1 2 205.305 1.069 20 30 BDEDLO N#C[C@@H]1C[N@@H+](CC2CC2)CCN1C1CC1 ZINC000363841565 347115784 /nfs/dbraw/zinc/11/57/84/347115784.db2.gz JFQUYLPWBQDQNF-GFCCVEGCSA-N 1 2 205.305 1.069 20 30 BDEDLO CC(C)n1nccc1C[NH2+]C[C@H](C)C#N ZINC000380097649 365877764 /nfs/dbraw/zinc/87/77/64/365877764.db2.gz KSMQYJJQIVGEKM-SNVBAGLBSA-N 1 2 206.293 1.713 20 30 BDEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H](CO)O1 ZINC000310601504 347298386 /nfs/dbraw/zinc/29/83/86/347298386.db2.gz RGDZOQJHMYZTTK-HIFRSBDPSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H](CO)O1 ZINC000310601504 347298390 /nfs/dbraw/zinc/29/83/90/347298390.db2.gz RGDZOQJHMYZTTK-HIFRSBDPSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000192987944 347387523 /nfs/dbraw/zinc/38/75/23/347387523.db2.gz YCZBYQKNCHLDOU-SNVBAGLBSA-N 1 2 208.261 1.376 20 30 BDEDLO C[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000192987944 347387524 /nfs/dbraw/zinc/38/75/24/347387524.db2.gz YCZBYQKNCHLDOU-SNVBAGLBSA-N 1 2 208.261 1.376 20 30 BDEDLO C=CCNC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180272055 133663530 /nfs/dbraw/zinc/66/35/30/133663530.db2.gz DDQHJRBMLVLAGM-UHFFFAOYSA-N 1 2 245.326 1.348 20 30 BDEDLO C=CCNC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180272055 133663531 /nfs/dbraw/zinc/66/35/31/133663531.db2.gz DDQHJRBMLVLAGM-UHFFFAOYSA-N 1 2 245.326 1.348 20 30 BDEDLO C=CCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000590735090 347501709 /nfs/dbraw/zinc/50/17/09/347501709.db2.gz TXXQKLKLBIBPJZ-QWRGUYRKSA-N 1 2 229.295 1.928 20 30 BDEDLO C=CCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000590735090 347501711 /nfs/dbraw/zinc/50/17/11/347501711.db2.gz TXXQKLKLBIBPJZ-QWRGUYRKSA-N 1 2 229.295 1.928 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364891799 347582535 /nfs/dbraw/zinc/58/25/35/347582535.db2.gz DOPSXWTYDTVQAM-GHMZBOCLSA-N 1 2 246.314 1.254 20 30 BDEDLO Cc1nc(C[NH2+]C[C@@H](C#N)CCC#N)cs1 ZINC000591729106 347693147 /nfs/dbraw/zinc/69/31/47/347693147.db2.gz NQVGIOOPKKJMPI-SNVBAGLBSA-N 1 2 234.328 1.985 20 30 BDEDLO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)[nH]n1 ZINC000591740950 347694887 /nfs/dbraw/zinc/69/48/87/347694887.db2.gz NLDVMMVQYDLVQQ-JTQLQIEISA-N 1 2 217.276 1.251 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)C[C@@H]1CCCCO1 ZINC000592064311 347725896 /nfs/dbraw/zinc/72/58/96/347725896.db2.gz RFGFUOYYWRXIMR-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)C[C@@H]1CCCCO1 ZINC000592064311 347725898 /nfs/dbraw/zinc/72/58/98/347725898.db2.gz RFGFUOYYWRXIMR-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)C[C@@H]1CCCO1 ZINC000592060967 347732704 /nfs/dbraw/zinc/73/27/04/347732704.db2.gz DQOSWLLWGCWRMJ-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)C[C@@H]1CCCO1 ZINC000592060967 347732705 /nfs/dbraw/zinc/73/27/05/347732705.db2.gz DQOSWLLWGCWRMJ-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@H]1C[C@H](C)[NH+]1Cc1ccncc1C#N ZINC000592115059 347735777 /nfs/dbraw/zinc/73/57/77/347735777.db2.gz DSHBXNGOKLEEJD-UWVGGRQHSA-N 1 2 201.273 1.936 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccncc2F)C1 ZINC000592155108 347745348 /nfs/dbraw/zinc/74/53/48/347745348.db2.gz XZGUSVLYYBQFIO-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccncc2F)C1 ZINC000592155108 347745351 /nfs/dbraw/zinc/74/53/51/347745351.db2.gz XZGUSVLYYBQFIO-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccoc1 ZINC000593154513 347866680 /nfs/dbraw/zinc/86/66/80/347866680.db2.gz ZMVBPOAYKRFNAB-ZDUSSCGKSA-N 1 2 249.314 1.172 20 30 BDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)[nH]1 ZINC000593155711 347866852 /nfs/dbraw/zinc/86/68/52/347866852.db2.gz VIKHLJQNZIGFOV-ZDUSSCGKSA-N 1 2 248.330 1.205 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000593183078 347869135 /nfs/dbraw/zinc/86/91/35/347869135.db2.gz MJYFTTOLJQAUIT-SNVBAGLBSA-N 1 2 242.282 1.086 20 30 BDEDLO CC[C@@H](C#N)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000593482376 347897142 /nfs/dbraw/zinc/89/71/42/347897142.db2.gz XEVCIGSRAGTBFO-MNOVXSKESA-N 1 2 234.303 1.185 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000593599045 347918475 /nfs/dbraw/zinc/91/84/75/347918475.db2.gz PTIDSQAJYFLLJE-SNVBAGLBSA-N 1 2 232.287 1.084 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)NCC1(C#N)CCCC1 ZINC000593787023 347952381 /nfs/dbraw/zinc/95/23/81/347952381.db2.gz PEHFHQZQBBKGAL-UHFFFAOYSA-N 1 2 246.314 1.461 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NCC1(C#N)CC1 ZINC000577452825 365954834 /nfs/dbraw/zinc/95/48/34/365954834.db2.gz JETGQMLKMQSRJT-UHFFFAOYSA-N 1 2 230.271 1.237 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@H](C)CO1 ZINC000594014763 347990028 /nfs/dbraw/zinc/99/00/28/347990028.db2.gz JWVFVXTYOGIISX-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@H](C)CO1 ZINC000594014763 347990029 /nfs/dbraw/zinc/99/00/29/347990029.db2.gz JWVFVXTYOGIISX-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO Cc1noc(C[N@H+](C)CCCSCC#N)n1 ZINC000594054007 348008906 /nfs/dbraw/zinc/00/89/06/348008906.db2.gz SSVYVQUSTLQDJY-UHFFFAOYSA-N 1 2 240.332 1.457 20 30 BDEDLO Cc1noc(C[N@@H+](C)CCCSCC#N)n1 ZINC000594054007 348008909 /nfs/dbraw/zinc/00/89/09/348008909.db2.gz SSVYVQUSTLQDJY-UHFFFAOYSA-N 1 2 240.332 1.457 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000593986977 347979706 /nfs/dbraw/zinc/97/97/06/347979706.db2.gz BTSCPNYMDQWBNP-QWHCGFSZSA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000593986977 347979707 /nfs/dbraw/zinc/97/97/07/347979707.db2.gz BTSCPNYMDQWBNP-QWHCGFSZSA-N 1 2 246.310 1.599 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC000594564745 348073453 /nfs/dbraw/zinc/07/34/53/348073453.db2.gz CSKCENZGUMCXNQ-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO COc1c(C)[nH+]cnc1N[C@@H]1CC[C@H](C#N)C1 ZINC000594593095 348079788 /nfs/dbraw/zinc/07/97/88/348079788.db2.gz WICFMMDKHHJETB-VHSXEESVSA-N 1 2 232.287 1.898 20 30 BDEDLO COc1c(C)[nH+]cnc1NCC1(CC#N)CC1 ZINC000594576564 348075069 /nfs/dbraw/zinc/07/50/69/348075069.db2.gz QRAPITUBQUCPBV-UHFFFAOYSA-N 1 2 232.287 1.321 20 30 BDEDLO C[C@@H](NC(=O)CC(C)(C)C#N)c1[nH]cc[nH+]1 ZINC000594420887 348050670 /nfs/dbraw/zinc/05/06/70/348050670.db2.gz BEPQXRREGCYVNY-MRVPVSSYSA-N 1 2 220.276 1.527 20 30 BDEDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000594510913 348061164 /nfs/dbraw/zinc/06/11/64/348061164.db2.gz PUVFWTXJXHSFRK-NXEZZACHSA-N 1 2 248.334 1.210 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C(=O)OC ZINC000594725412 348108369 /nfs/dbraw/zinc/10/83/69/348108369.db2.gz KIPXTUBGSPOWMR-WCBMZHEXSA-N 1 2 233.258 1.739 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000491325732 362851048 /nfs/dbraw/zinc/85/10/48/362851048.db2.gz GIHWXBTVNGZPMM-VIFPVBQESA-N 1 2 245.248 1.899 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000491325732 362851054 /nfs/dbraw/zinc/85/10/54/362851054.db2.gz GIHWXBTVNGZPMM-VIFPVBQESA-N 1 2 245.248 1.899 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000176417292 187391054 /nfs/dbraw/zinc/39/10/54/187391054.db2.gz JPRSQXBURHPVFH-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000176417292 187391056 /nfs/dbraw/zinc/39/10/56/187391056.db2.gz JPRSQXBURHPVFH-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO COC(=O)C[C@@](C)([NH2+]CCC#N)c1ccncc1 ZINC000595481269 348252024 /nfs/dbraw/zinc/25/20/24/348252024.db2.gz COGDTWXFAPLTPH-CYBMUJFWSA-N 1 2 247.298 1.363 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCn3cncc3C2)C1 ZINC000595488006 348261304 /nfs/dbraw/zinc/26/13/04/348261304.db2.gz AVWGQQGXTDZSLR-QWRGUYRKSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@H+]2CCn3cncc3C2)C1 ZINC000595488006 348261307 /nfs/dbraw/zinc/26/13/07/348261307.db2.gz AVWGQQGXTDZSLR-QWRGUYRKSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@H]1CC[C@H](N2CCn3c[nH+]cc3C2)C1 ZINC000595488006 348261309 /nfs/dbraw/zinc/26/13/09/348261309.db2.gz AVWGQQGXTDZSLR-QWRGUYRKSA-N 1 2 216.288 1.391 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](COC)OC ZINC000595503003 348263945 /nfs/dbraw/zinc/26/39/45/348263945.db2.gz YLLCZOTYGWOANP-NSHDSACASA-N 1 2 212.293 1.049 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](COC)OC ZINC000595503003 348263948 /nfs/dbraw/zinc/26/39/48/348263948.db2.gz YLLCZOTYGWOANP-NSHDSACASA-N 1 2 212.293 1.049 20 30 BDEDLO C=CC[N@@H+](CCC#N)[C@@H]1COC(C)(C)C1 ZINC000595501155 348263969 /nfs/dbraw/zinc/26/39/69/348263969.db2.gz IVQOWUZHOPUFCE-NSHDSACASA-N 1 2 208.305 1.956 20 30 BDEDLO C=CC[N@H+](CCC#N)[C@@H]1COC(C)(C)C1 ZINC000595501155 348263970 /nfs/dbraw/zinc/26/39/70/348263970.db2.gz IVQOWUZHOPUFCE-NSHDSACASA-N 1 2 208.305 1.956 20 30 BDEDLO C=C(C)CC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595772911 348337256 /nfs/dbraw/zinc/33/72/56/348337256.db2.gz BEKRRJOHGUHNNX-NSHDSACASA-N 1 2 217.284 1.834 20 30 BDEDLO C=C(C)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595776447 348338645 /nfs/dbraw/zinc/33/86/45/348338645.db2.gz WAWZLZLAGUJNIS-JTQLQIEISA-N 1 2 203.257 1.443 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835957 348370374 /nfs/dbraw/zinc/37/03/74/348370374.db2.gz TWEYTUUEMMXQPC-CQSZACIVSA-N 1 2 247.342 1.423 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835957 348370376 /nfs/dbraw/zinc/37/03/76/348370376.db2.gz TWEYTUUEMMXQPC-CQSZACIVSA-N 1 2 247.342 1.423 20 30 BDEDLO Cc1c(C[N@@H+]2CC[C@](C)(C#N)C2)cnn1C ZINC000595837443 348371001 /nfs/dbraw/zinc/37/10/01/348371001.db2.gz GWTBEZUTZIJJAY-GFCCVEGCSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1c(C[N@H+]2CC[C@](C)(C#N)C2)cnn1C ZINC000595837443 348371003 /nfs/dbraw/zinc/37/10/03/348371003.db2.gz GWTBEZUTZIJJAY-GFCCVEGCSA-N 1 2 218.304 1.464 20 30 BDEDLO CC(C)N1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595837439 348371108 /nfs/dbraw/zinc/37/11/08/348371108.db2.gz GUWKILBZIKCCFE-AAEUAGOBSA-N 1 2 235.331 1.231 20 30 BDEDLO CC(C)N1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595837439 348371110 /nfs/dbraw/zinc/37/11/10/348371110.db2.gz GUWKILBZIKCCFE-AAEUAGOBSA-N 1 2 235.331 1.231 20 30 BDEDLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840635 348374456 /nfs/dbraw/zinc/37/44/56/348374456.db2.gz CFXHTJUPGUJWIP-YPMHNXCESA-N 1 2 238.331 1.810 20 30 BDEDLO COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840635 348374458 /nfs/dbraw/zinc/37/44/58/348374458.db2.gz CFXHTJUPGUJWIP-YPMHNXCESA-N 1 2 238.331 1.810 20 30 BDEDLO Cn1cc[nH+]c1CN1CC[C@@](C)(C#N)C1 ZINC000595840579 348374674 /nfs/dbraw/zinc/37/46/74/348374674.db2.gz QMZGPVKLMSZFMM-NSHDSACASA-N 1 2 204.277 1.156 20 30 BDEDLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840991 348375096 /nfs/dbraw/zinc/37/50/96/348375096.db2.gz SQWYUGYVMLSIRQ-DGCLKSJQSA-N 1 2 238.331 1.954 20 30 BDEDLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840991 348375100 /nfs/dbraw/zinc/37/51/00/348375100.db2.gz SQWYUGYVMLSIRQ-DGCLKSJQSA-N 1 2 238.331 1.954 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000595842042 348376645 /nfs/dbraw/zinc/37/66/45/348376645.db2.gz BQCXFZDWOYQXIV-ZDUSSCGKSA-N 1 2 226.283 1.689 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000595842042 348376649 /nfs/dbraw/zinc/37/66/49/348376649.db2.gz BQCXFZDWOYQXIV-ZDUSSCGKSA-N 1 2 226.283 1.689 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2cncs2)C1 ZINC000595841739 348377140 /nfs/dbraw/zinc/37/71/40/348377140.db2.gz NSKLSLDDVDJBHS-SNVBAGLBSA-N 1 2 207.302 1.879 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cncs2)C1 ZINC000595841739 348377142 /nfs/dbraw/zinc/37/71/42/348377142.db2.gz NSKLSLDDVDJBHS-SNVBAGLBSA-N 1 2 207.302 1.879 20 30 BDEDLO C[C@@](O)(C[N@@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC000595844524 348382128 /nfs/dbraw/zinc/38/21/28/348382128.db2.gz UNPXNANFXCYJRS-DTWKUNHWSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@](O)(C[N@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC000595844524 348382132 /nfs/dbraw/zinc/38/21/32/348382132.db2.gz UNPXNANFXCYJRS-DTWKUNHWSA-N 1 2 236.237 1.535 20 30 BDEDLO Cn1nccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844770 348354433 /nfs/dbraw/zinc/35/44/33/348354433.db2.gz VNTSFZZPLXZCTP-NSHDSACASA-N 1 2 204.277 1.156 20 30 BDEDLO Cn1nccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844770 348354436 /nfs/dbraw/zinc/35/44/36/348354436.db2.gz VNTSFZZPLXZCTP-NSHDSACASA-N 1 2 204.277 1.156 20 30 BDEDLO CC[C@@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000419359072 192126854 /nfs/dbraw/zinc/12/68/54/192126854.db2.gz VQKCRJJPBQPIAL-SECBINFHSA-N 1 2 212.293 1.467 20 30 BDEDLO C=C1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000264512401 187398111 /nfs/dbraw/zinc/39/81/11/187398111.db2.gz XWHUMTPOQZKOCN-UHFFFAOYSA-N 1 2 228.299 1.881 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CC1=CCSC1 ZINC000595888481 348389212 /nfs/dbraw/zinc/38/92/12/348389212.db2.gz NAYKXOOMSSTCQK-SNVBAGLBSA-N 1 2 227.329 1.319 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CC1=CCSC1 ZINC000595888481 348389213 /nfs/dbraw/zinc/38/92/13/348389213.db2.gz NAYKXOOMSSTCQK-SNVBAGLBSA-N 1 2 227.329 1.319 20 30 BDEDLO C[C@@]1(C(F)F)C[N@H+](CCCC#N)CCO1 ZINC000595919278 348401154 /nfs/dbraw/zinc/40/11/54/348401154.db2.gz VSJCZQUBHYBPMS-JTQLQIEISA-N 1 2 218.247 1.646 20 30 BDEDLO C[C@@]1(C(F)F)C[N@@H+](CCCC#N)CCO1 ZINC000595919278 348401156 /nfs/dbraw/zinc/40/11/56/348401156.db2.gz VSJCZQUBHYBPMS-JTQLQIEISA-N 1 2 218.247 1.646 20 30 BDEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1nccn1C ZINC000596069104 348437238 /nfs/dbraw/zinc/43/72/38/348437238.db2.gz JVAOXTHAXGRMNU-MNOVXSKESA-N 1 2 231.303 1.514 20 30 BDEDLO C[C@@H](NC[C@H](C#N)CCC#N)c1[nH+]ccn1C ZINC000596069104 348437242 /nfs/dbraw/zinc/43/72/42/348437242.db2.gz JVAOXTHAXGRMNU-MNOVXSKESA-N 1 2 231.303 1.514 20 30 BDEDLO C[C@H]1C[C@H](Nc2cc(C#N)cnn2)c2[nH+]ccn21 ZINC000596257136 348476791 /nfs/dbraw/zinc/47/67/91/348476791.db2.gz MAONVTMDGCJKHN-WPRPVWTQSA-N 1 2 240.270 1.085 20 30 BDEDLO C[C@H](Nc1cccc(C#N)n1)c1[nH+]ccn1C ZINC000596543428 348584464 /nfs/dbraw/zinc/58/44/64/348584464.db2.gz URQZIJXDQBSOTG-VIFPVBQESA-N 1 2 227.271 1.860 20 30 BDEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CCC#N)C1 ZINC000596599216 348590430 /nfs/dbraw/zinc/59/04/30/348590430.db2.gz RGKKNBRABZMAIQ-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CCC#N)C1 ZINC000596599216 348590432 /nfs/dbraw/zinc/59/04/32/348590432.db2.gz RGKKNBRABZMAIQ-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cc2n(n1)CCC2 ZINC000597084436 348656118 /nfs/dbraw/zinc/65/61/18/348656118.db2.gz ZIASTIGUDHEMCO-VIFPVBQESA-N 1 2 204.277 1.221 20 30 BDEDLO COc1cncc(C[NH2+][C@H](C)CC#N)c1 ZINC000597082016 348658779 /nfs/dbraw/zinc/65/87/79/348658779.db2.gz FHRLPUDMTVBBOG-SECBINFHSA-N 1 2 205.261 1.482 20 30 BDEDLO CC(C)n1cc[nH+]c1CN[C@@H](C)CC#N ZINC000597082468 348658851 /nfs/dbraw/zinc/65/88/51/348658851.db2.gz KQGZILHREIJHCF-JTQLQIEISA-N 1 2 206.293 1.856 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000597082429 348658860 /nfs/dbraw/zinc/65/88/60/348658860.db2.gz JSQKLYSDDFLWGQ-SSDOTTSWSA-N 1 2 246.236 1.688 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000597194038 348671602 /nfs/dbraw/zinc/67/16/02/348671602.db2.gz MRDNODUCSJGPKT-UHFFFAOYSA-N 1 2 229.283 1.131 20 30 BDEDLO C[C@@H](CC#N)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000596889215 348629427 /nfs/dbraw/zinc/62/94/27/348629427.db2.gz WPLIZGBUVAANFN-VIFPVBQESA-N 1 2 232.287 1.636 20 30 BDEDLO Cc1cc(NC(=O)[C@H](C)CC#N)c(C)c[nH+]1 ZINC000597422315 348739848 /nfs/dbraw/zinc/73/98/48/348739848.db2.gz VQDJRDRLTYXIEU-MRVPVSSYSA-N 1 2 217.272 1.609 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000271651305 187399993 /nfs/dbraw/zinc/39/99/93/187399993.db2.gz BGKFNMRJSQDMRC-ZDUSSCGKSA-N 1 2 240.310 1.669 20 30 BDEDLO COc1cccc(C[NH2+]C[C@H](C)C#N)c1OC ZINC000054179355 348891014 /nfs/dbraw/zinc/89/10/14/348891014.db2.gz FNYNMCHPDZLWSX-SNVBAGLBSA-N 1 2 234.299 1.953 20 30 BDEDLO CCN(C(=O)CCCn1cc[nH+]c1)[C@@H](C)C#N ZINC000598356291 348940216 /nfs/dbraw/zinc/94/02/16/348940216.db2.gz NHTVDDHTUVLRSM-NSHDSACASA-N 1 2 234.303 1.424 20 30 BDEDLO CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H](C)C#N ZINC000598360826 348945479 /nfs/dbraw/zinc/94/54/79/348945479.db2.gz VZFSHLHYOLRGRI-JTQLQIEISA-N 1 2 242.282 1.708 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000598599546 348992872 /nfs/dbraw/zinc/99/28/72/348992872.db2.gz PFGCJQWKUKKEOX-JTQLQIEISA-N 1 2 236.319 1.142 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000598599546 348992874 /nfs/dbraw/zinc/99/28/74/348992874.db2.gz PFGCJQWKUKKEOX-JTQLQIEISA-N 1 2 236.319 1.142 20 30 BDEDLO Cc1cc(C[NH2+]Cc2cnn[nH]2)ccc1C#N ZINC000598984673 349071378 /nfs/dbraw/zinc/07/13/78/349071378.db2.gz QGRLUQWXLQIINS-UHFFFAOYSA-N 1 2 227.271 1.275 20 30 BDEDLO C#CCCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000271395548 192382633 /nfs/dbraw/zinc/38/26/33/192382633.db2.gz HASPPGHQBLNDLS-ZDUSSCGKSA-N 1 2 247.342 1.829 20 30 BDEDLO Cc1ccnc(NC[C@H]2COCC[N@H+]2C)c1C#N ZINC000599161847 349108503 /nfs/dbraw/zinc/10/85/03/349108503.db2.gz WUEQNXRISIPZQB-NSHDSACASA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccnc(NC[C@H]2COCC[N@@H+]2C)c1C#N ZINC000599161847 349108507 /nfs/dbraw/zinc/10/85/07/349108507.db2.gz WUEQNXRISIPZQB-NSHDSACASA-N 1 2 246.314 1.004 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598939006 349062188 /nfs/dbraw/zinc/06/21/88/349062188.db2.gz JIDXELXJHXULHF-SNVBAGLBSA-N 1 2 246.314 1.254 20 30 BDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(F)c1C#N ZINC000599160829 349109104 /nfs/dbraw/zinc/10/91/04/349109104.db2.gz PRHZOOWZBVKTJQ-JTQLQIEISA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCOC[C@@H]1CNc1cccc(F)c1C#N ZINC000599160829 349109105 /nfs/dbraw/zinc/10/91/05/349109105.db2.gz PRHZOOWZBVKTJQ-JTQLQIEISA-N 1 2 249.289 1.440 20 30 BDEDLO CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H](C)C#N ZINC000599278057 349138246 /nfs/dbraw/zinc/13/82/46/349138246.db2.gz WHIZVXGHCYDRJX-LLVKDONJSA-N 1 2 239.363 1.630 20 30 BDEDLO CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H](C)C#N ZINC000599278057 349138249 /nfs/dbraw/zinc/13/82/49/349138249.db2.gz WHIZVXGHCYDRJX-LLVKDONJSA-N 1 2 239.363 1.630 20 30 BDEDLO C=C(C)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000307010504 349156504 /nfs/dbraw/zinc/15/65/04/349156504.db2.gz IWAWIVURZTZEMW-ZDUSSCGKSA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(C)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000307010504 349156508 /nfs/dbraw/zinc/15/65/08/349156508.db2.gz IWAWIVURZTZEMW-ZDUSSCGKSA-N 1 2 201.335 1.405 20 30 BDEDLO CC[N@H+](CCCCC(=O)OC)[C@@H](C)C#N ZINC000599475164 349195425 /nfs/dbraw/zinc/19/54/25/349195425.db2.gz INZKCXXHPUWGRS-JTQLQIEISA-N 1 2 212.293 1.564 20 30 BDEDLO CC[N@@H+](CCCCC(=O)OC)[C@@H](C)C#N ZINC000599475164 349195429 /nfs/dbraw/zinc/19/54/29/349195429.db2.gz INZKCXXHPUWGRS-JTQLQIEISA-N 1 2 212.293 1.564 20 30 BDEDLO N#C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973732 349409397 /nfs/dbraw/zinc/40/93/97/349409397.db2.gz NCMVQEAPHFRJSG-MJBXVCDLSA-N 1 2 228.295 1.829 20 30 BDEDLO N#C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973732 349409400 /nfs/dbraw/zinc/40/94/00/349409400.db2.gz NCMVQEAPHFRJSG-MJBXVCDLSA-N 1 2 228.295 1.829 20 30 BDEDLO N#CCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974741 349410348 /nfs/dbraw/zinc/41/03/48/349410348.db2.gz KISZLFJTXSCPPJ-QMMMGPOBSA-N 1 2 204.220 1.256 20 30 BDEDLO N#CCC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974741 349410352 /nfs/dbraw/zinc/41/03/52/349410352.db2.gz KISZLFJTXSCPPJ-QMMMGPOBSA-N 1 2 204.220 1.256 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000070825109 350066744 /nfs/dbraw/zinc/06/67/44/350066744.db2.gz UKSLDGAKVHDEAJ-VIFPVBQESA-N 1 2 217.272 1.035 20 30 BDEDLO CC(C)N1CC[C@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000336686508 350443450 /nfs/dbraw/zinc/44/34/50/350443450.db2.gz WJSLPUZILLJCJR-QWRGUYRKSA-N 1 2 223.320 1.087 20 30 BDEDLO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000336686508 350443452 /nfs/dbraw/zinc/44/34/52/350443452.db2.gz WJSLPUZILLJCJR-QWRGUYRKSA-N 1 2 223.320 1.087 20 30 BDEDLO C[C@@H](O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000336688746 350445137 /nfs/dbraw/zinc/44/51/37/350445137.db2.gz YTDOCEZPBKTGCB-LLVKDONJSA-N 1 2 222.288 1.766 20 30 BDEDLO C[C@@H](O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000336688746 350445139 /nfs/dbraw/zinc/44/51/39/350445139.db2.gz YTDOCEZPBKTGCB-LLVKDONJSA-N 1 2 222.288 1.766 20 30 BDEDLO C[C@H](C#N)C[N@H+](CCN1CCCC1=O)C1CC1 ZINC000336689759 350445152 /nfs/dbraw/zinc/44/51/52/350445152.db2.gz HVPCNIHGRCVRCM-LLVKDONJSA-N 1 2 235.331 1.233 20 30 BDEDLO C[C@H](C#N)C[N@@H+](CCN1CCCC1=O)C1CC1 ZINC000336689759 350445154 /nfs/dbraw/zinc/44/51/54/350445154.db2.gz HVPCNIHGRCVRCM-LLVKDONJSA-N 1 2 235.331 1.233 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1nc(CCOC)no1 ZINC000336685377 350446147 /nfs/dbraw/zinc/44/61/47/350446147.db2.gz FRLFRXKJCGSJBN-UHFFFAOYSA-N 1 2 239.319 1.657 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nc(CCOC)no1 ZINC000336685377 350446149 /nfs/dbraw/zinc/44/61/49/350446149.db2.gz FRLFRXKJCGSJBN-UHFFFAOYSA-N 1 2 239.319 1.657 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427998272 191104997 /nfs/dbraw/zinc/10/49/97/191104997.db2.gz VDCYPUQUBVWDGF-VXGBXAGGSA-N 1 2 247.342 1.916 20 30 BDEDLO Cn1ccnc1[C@H]1CCC[N@H+](CCC#N)C1 ZINC000365640611 350483960 /nfs/dbraw/zinc/48/39/60/350483960.db2.gz SWTIRJLLWMADRJ-NSHDSACASA-N 1 2 218.304 1.513 20 30 BDEDLO Cn1ccnc1[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000365640611 350483961 /nfs/dbraw/zinc/48/39/61/350483961.db2.gz SWTIRJLLWMADRJ-NSHDSACASA-N 1 2 218.304 1.513 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163188953 350512234 /nfs/dbraw/zinc/51/22/34/350512234.db2.gz YFNODHZZOLRXDS-TUAOUCFPSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163188953 350512238 /nfs/dbraw/zinc/51/22/38/350512238.db2.gz YFNODHZZOLRXDS-TUAOUCFPSA-N 1 2 208.305 1.525 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCc1cnccn1 ZINC000271231862 362977400 /nfs/dbraw/zinc/97/74/00/362977400.db2.gz AJKTYNLGOOLGIC-JTQLQIEISA-N 1 2 204.277 1.253 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCc1cnccn1 ZINC000271231862 362977403 /nfs/dbraw/zinc/97/74/03/362977403.db2.gz AJKTYNLGOOLGIC-JTQLQIEISA-N 1 2 204.277 1.253 20 30 BDEDLO C#CCN(CC#C)Cc1cc(OC)cc[nH+]1 ZINC000157097737 187467495 /nfs/dbraw/zinc/46/74/95/187467495.db2.gz FYVQABCLESGQAO-UHFFFAOYSA-N 1 2 214.268 1.159 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC(C)=C(C)C1 ZINC000382520953 350854021 /nfs/dbraw/zinc/85/40/21/350854021.db2.gz AHAYLFOSDFOPMR-LLVKDONJSA-N 1 2 209.289 1.756 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC(C)=C(C)C1 ZINC000382520953 350854022 /nfs/dbraw/zinc/85/40/22/350854022.db2.gz AHAYLFOSDFOPMR-LLVKDONJSA-N 1 2 209.289 1.756 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000290180173 350931957 /nfs/dbraw/zinc/93/19/57/350931957.db2.gz ZCAULQDFHRZCTI-SSDOTTSWSA-N 1 2 239.710 1.123 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000290180173 350931961 /nfs/dbraw/zinc/93/19/61/350931961.db2.gz ZCAULQDFHRZCTI-SSDOTTSWSA-N 1 2 239.710 1.123 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000397619863 350952996 /nfs/dbraw/zinc/95/29/96/350952996.db2.gz QJCWFMGSMFUXJM-LLVKDONJSA-N 1 2 216.288 1.602 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000397619863 350952998 /nfs/dbraw/zinc/95/29/98/350952998.db2.gz QJCWFMGSMFUXJM-LLVKDONJSA-N 1 2 216.288 1.602 20 30 BDEDLO C=C[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000336705766 351071956 /nfs/dbraw/zinc/07/19/56/351071956.db2.gz PNNQXKULCOBXGB-LLVKDONJSA-N 1 2 214.268 1.616 20 30 BDEDLO CC[C@@H](NC(=O)[C@@H](C)C#N)c1[nH]cc[nH+]1 ZINC000139661950 351160066 /nfs/dbraw/zinc/16/00/66/351160066.db2.gz HCIUVEVRCXZVRY-JGVFFNPUSA-N 1 2 206.249 1.137 20 30 BDEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906833 191132008 /nfs/dbraw/zinc/13/20/08/191132008.db2.gz NDFMFFUPDXKARD-LLVKDONJSA-N 1 2 237.347 1.383 20 30 BDEDLO C#CCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000270967072 351392345 /nfs/dbraw/zinc/39/23/45/351392345.db2.gz YZSYFKGUOGJGKX-UHFFFAOYSA-N 1 2 237.328 1.696 20 30 BDEDLO C=CCN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000582140857 351695615 /nfs/dbraw/zinc/69/56/15/351695615.db2.gz JEWWESRCICUGLO-UHFFFAOYSA-N 1 2 219.288 1.140 20 30 BDEDLO C=CCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283013998 351954574 /nfs/dbraw/zinc/95/45/74/351954574.db2.gz HIVZIXNINMQTEE-AATRIKPKSA-N 1 2 205.261 1.457 20 30 BDEDLO CC#CC[N@@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000339762488 191147301 /nfs/dbraw/zinc/14/73/01/191147301.db2.gz BUVSSCJLIOMXAQ-UHFFFAOYSA-N 1 2 244.298 1.422 20 30 BDEDLO CC#CC[N@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000339762488 191147304 /nfs/dbraw/zinc/14/73/04/191147304.db2.gz BUVSSCJLIOMXAQ-UHFFFAOYSA-N 1 2 244.298 1.422 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cncc(OC)c1 ZINC000290230057 352216551 /nfs/dbraw/zinc/21/65/51/352216551.db2.gz INTADMXVFMFJTH-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cncc(OC)c1 ZINC000290230057 352216553 /nfs/dbraw/zinc/21/65/53/352216553.db2.gz INTADMXVFMFJTH-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H]1CCCCO1 ZINC000300941890 363177342 /nfs/dbraw/zinc/17/73/42/363177342.db2.gz DRLIETQRFGGSTL-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1CCCCO1 ZINC000300941890 363177344 /nfs/dbraw/zinc/17/73/44/363177344.db2.gz DRLIETQRFGGSTL-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C#C[C@@H](NC(=O)NCc1c[nH+]cn1C)C(C)(C)C ZINC000292027473 352298250 /nfs/dbraw/zinc/29/82/50/352298250.db2.gz PUTZXNVABFHFED-LLVKDONJSA-N 1 2 248.330 1.267 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)CCCC#N ZINC000292010522 352298452 /nfs/dbraw/zinc/29/84/52/352298452.db2.gz XZYXTYHVIPHTPP-UHFFFAOYSA-N 1 2 234.303 1.425 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CSC ZINC000292160999 352305608 /nfs/dbraw/zinc/30/56/08/352305608.db2.gz KYPYEKAVNGBAQL-JTQLQIEISA-N 1 2 214.334 1.112 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](O)CSC ZINC000292160999 352305612 /nfs/dbraw/zinc/30/56/12/352305612.db2.gz KYPYEKAVNGBAQL-JTQLQIEISA-N 1 2 214.334 1.112 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CCOCC ZINC000292215838 352308014 /nfs/dbraw/zinc/30/80/14/352308014.db2.gz OSLUQMACUJTLKX-LBPRGKRZSA-N 1 2 226.320 1.176 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CCOCC ZINC000292215838 352308016 /nfs/dbraw/zinc/30/80/16/352308016.db2.gz OSLUQMACUJTLKX-LBPRGKRZSA-N 1 2 226.320 1.176 20 30 BDEDLO Cn1cc[nH+]c1CNc1cccc(OCC#N)c1 ZINC000051922552 180749216 /nfs/dbraw/zinc/74/92/16/180749216.db2.gz ZKRYGBDHNYDQQT-UHFFFAOYSA-N 1 2 242.282 1.935 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000411773053 191210254 /nfs/dbraw/zinc/21/02/54/191210254.db2.gz SAJQCOQYVLMQBF-GFCCVEGCSA-N 1 2 222.332 1.343 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000411773053 191210257 /nfs/dbraw/zinc/21/02/57/191210257.db2.gz SAJQCOQYVLMQBF-GFCCVEGCSA-N 1 2 222.332 1.343 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324464 352626837 /nfs/dbraw/zinc/62/68/37/352626837.db2.gz INLZLCBOBMRCSU-QWRGUYRKSA-N 1 2 225.336 1.239 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324464 352626840 /nfs/dbraw/zinc/62/68/40/352626840.db2.gz INLZLCBOBMRCSU-QWRGUYRKSA-N 1 2 225.336 1.239 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C)nc1 ZINC000336745973 352736306 /nfs/dbraw/zinc/73/63/06/352736306.db2.gz AVUHELNGPLYBOQ-NSHDSACASA-N 1 2 204.277 1.567 20 30 BDEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000334264120 352897894 /nfs/dbraw/zinc/89/78/94/352897894.db2.gz KNHYISYFAVAFNO-CYBMUJFWSA-N 1 2 249.358 1.986 20 30 BDEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000334264120 352897897 /nfs/dbraw/zinc/89/78/97/352897897.db2.gz KNHYISYFAVAFNO-CYBMUJFWSA-N 1 2 249.358 1.986 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334315245 352946120 /nfs/dbraw/zinc/94/61/20/352946120.db2.gz QLYATTGQLONKEM-NXEZZACHSA-N 1 2 246.314 1.590 20 30 BDEDLO N#CCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000334321907 352958532 /nfs/dbraw/zinc/95/85/32/352958532.db2.gz IGGYMBXKTZSPEQ-GFCCVEGCSA-N 1 2 247.273 1.212 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334417582 353101258 /nfs/dbraw/zinc/10/12/58/353101258.db2.gz OWKKNWRYRQAQBE-NXEZZACHSA-N 1 2 232.287 1.623 20 30 BDEDLO Cn1c(C[NH2+][C@@H]2CCC[C@H]2C#N)nnc1C1CC1 ZINC000329617305 538109299 /nfs/dbraw/zinc/10/92/99/538109299.db2.gz SPHFRAWTOLSUIH-WDEREUQCSA-N 1 2 245.330 1.474 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000274636936 188092504 /nfs/dbraw/zinc/09/25/04/188092504.db2.gz SLBWCMVBFJCZBD-VIFPVBQESA-N 1 2 221.304 1.937 20 30 BDEDLO CC#CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000277583325 188094962 /nfs/dbraw/zinc/09/49/62/188094962.db2.gz YYRUAWNLXOVMNM-UHFFFAOYSA-N 1 2 243.310 1.321 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000330976662 353208579 /nfs/dbraw/zinc/20/85/79/353208579.db2.gz HOLVAYSVZNJNLQ-SECBINFHSA-N 1 2 220.276 1.103 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154031620 188154519 /nfs/dbraw/zinc/15/45/19/188154519.db2.gz PCOCUNGKUZIEHY-UHFFFAOYSA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154031620 188154520 /nfs/dbraw/zinc/15/45/20/188154520.db2.gz PCOCUNGKUZIEHY-UHFFFAOYSA-N 1 2 211.305 1.672 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1OC ZINC000121171434 324004505 /nfs/dbraw/zinc/00/45/05/324004505.db2.gz HMGXBKKTNUTUJB-UHFFFAOYSA-N 1 2 234.299 1.752 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000121171434 324004511 /nfs/dbraw/zinc/00/45/11/324004511.db2.gz HMGXBKKTNUTUJB-UHFFFAOYSA-N 1 2 234.299 1.752 20 30 BDEDLO CC(=O)N1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000179812107 188166779 /nfs/dbraw/zinc/16/67/79/188166779.db2.gz IVEYEBHSZOQDBF-UHFFFAOYSA-N 1 2 247.298 1.205 20 30 BDEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000179812107 188166781 /nfs/dbraw/zinc/16/67/81/188166781.db2.gz IVEYEBHSZOQDBF-UHFFFAOYSA-N 1 2 247.298 1.205 20 30 BDEDLO CC(C)(C#N)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000160589949 353266692 /nfs/dbraw/zinc/26/66/92/353266692.db2.gz VSPILUVMPIKXBK-GFCCVEGCSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)(C#N)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000160589949 353266693 /nfs/dbraw/zinc/26/66/93/353266693.db2.gz VSPILUVMPIKXBK-GFCCVEGCSA-N 1 2 249.358 1.527 20 30 BDEDLO C=C(Br)C[N@H+](C)CCCO ZINC000281867160 188222936 /nfs/dbraw/zinc/22/29/36/188222936.db2.gz OQLRWIIKHCZWDP-UHFFFAOYSA-N 1 2 208.099 1.209 20 30 BDEDLO C=C(Br)C[N@@H+](C)CCCO ZINC000281867160 188222937 /nfs/dbraw/zinc/22/29/37/188222937.db2.gz OQLRWIIKHCZWDP-UHFFFAOYSA-N 1 2 208.099 1.209 20 30 BDEDLO C=CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000162745220 353330611 /nfs/dbraw/zinc/33/06/11/353330611.db2.gz GJBMDDOTGCOFEC-NSHDSACASA-N 1 2 246.314 1.146 20 30 BDEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)C(C)C ZINC000281978174 353459845 /nfs/dbraw/zinc/45/98/45/353459845.db2.gz JHNVCVFMGRECKH-LBPRGKRZSA-N 1 2 233.315 1.127 20 30 BDEDLO CCC[N@H+](CC#Cc1ccccc1)CC(=O)NC ZINC000191956190 353523543 /nfs/dbraw/zinc/52/35/43/353523543.db2.gz DWUOHZKPKCVULB-UHFFFAOYSA-N 1 2 244.338 1.496 20 30 BDEDLO CCC[N@@H+](CC#Cc1ccccc1)CC(=O)NC ZINC000191956190 353523547 /nfs/dbraw/zinc/52/35/47/353523547.db2.gz DWUOHZKPKCVULB-UHFFFAOYSA-N 1 2 244.338 1.496 20 30 BDEDLO CC#CC[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000192381654 353549721 /nfs/dbraw/zinc/54/97/21/353549721.db2.gz PGCAELQPJUJHMK-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO CC#CC[N@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000192381654 353549723 /nfs/dbraw/zinc/54/97/23/353549723.db2.gz PGCAELQPJUJHMK-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO C#C[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287444752 353583537 /nfs/dbraw/zinc/58/35/37/353583537.db2.gz HOBSJPZZODALST-VIFPVBQESA-N 1 2 217.272 1.842 20 30 BDEDLO C#C[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)C ZINC000287017300 353568085 /nfs/dbraw/zinc/56/80/85/353568085.db2.gz GFIHVTUQBHNTTL-SNVBAGLBSA-N 1 2 243.314 1.823 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289558390 353632476 /nfs/dbraw/zinc/63/24/76/353632476.db2.gz ROIBTKKYGPCRJZ-LBPRGKRZSA-N 1 2 240.310 1.687 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cncc(OC)c1 ZINC000290413838 353662989 /nfs/dbraw/zinc/66/29/89/353662989.db2.gz UJQBIULHZXJLNU-UHFFFAOYSA-N 1 2 214.268 1.159 20 30 BDEDLO C=CCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290963261 353676695 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C=CC(C)(C)CNc1nc[nH+]c(N)c1Cl ZINC000384855974 367744896 /nfs/dbraw/zinc/74/48/96/367744896.db2.gz MVWFREGTVABJBY-UHFFFAOYSA-N 1 2 226.711 1.758 20 30 BDEDLO C=CC(C)(C)CNc1[nH+]cnc(N)c1Cl ZINC000384855974 367744902 /nfs/dbraw/zinc/74/49/02/367744902.db2.gz MVWFREGTVABJBY-UHFFFAOYSA-N 1 2 226.711 1.758 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000069036545 370876963 /nfs/dbraw/zinc/87/69/63/370876963.db2.gz OZFULRVUOLIDRC-AAEUAGOBSA-N 1 2 243.310 1.684 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000020466131 367970065 /nfs/dbraw/zinc/97/00/65/367970065.db2.gz MQBUFUKDJYRYLU-UHFFFAOYSA-N 1 2 210.321 1.363 20 30 BDEDLO Cc1cc(NC(=O)N2CC[C@](F)(C#N)C2)cc[nH+]1 ZINC000615540310 368100057 /nfs/dbraw/zinc/10/00/57/368100057.db2.gz KRTHFCVDBNWXSD-LBPRGKRZSA-N 1 2 248.261 1.281 20 30 BDEDLO N#C[C@@]1(F)CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000615639509 368182026 /nfs/dbraw/zinc/18/20/26/368182026.db2.gz MAKMYDYWUMIYOB-ZDUSSCGKSA-N 1 2 244.273 1.772 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000615800490 368321990 /nfs/dbraw/zinc/32/19/90/368321990.db2.gz TYORNHYPJDJHKT-GHMZBOCLSA-N 1 2 212.268 1.493 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000615800490 368321994 /nfs/dbraw/zinc/32/19/94/368321994.db2.gz TYORNHYPJDJHKT-GHMZBOCLSA-N 1 2 212.268 1.493 20 30 BDEDLO COC(C)(C)CC[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615800406 368322476 /nfs/dbraw/zinc/32/24/76/368322476.db2.gz FITJDZIASWMZAM-LLVKDONJSA-N 1 2 214.284 1.739 20 30 BDEDLO COC(C)(C)CC[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615800406 368322478 /nfs/dbraw/zinc/32/24/78/368322478.db2.gz FITJDZIASWMZAM-LLVKDONJSA-N 1 2 214.284 1.739 20 30 BDEDLO C=CCC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC000618248183 369099565 /nfs/dbraw/zinc/09/95/65/369099565.db2.gz YDCSUHAGLSYAEP-UHFFFAOYSA-N 1 2 249.314 1.125 20 30 BDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000106361301 369107806 /nfs/dbraw/zinc/10/78/06/369107806.db2.gz USMJRWHHBPZGCV-CYBMUJFWSA-N 1 2 243.310 1.269 20 30 BDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000106361301 369107812 /nfs/dbraw/zinc/10/78/12/369107812.db2.gz USMJRWHHBPZGCV-CYBMUJFWSA-N 1 2 243.310 1.269 20 30 BDEDLO C=C[C@@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459070214 203227985 /nfs/dbraw/zinc/22/79/85/203227985.db2.gz FPWCRDDLZSNUJC-LBPRGKRZSA-N 1 2 249.314 1.045 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)CCc1c[nH+]cn1C ZINC000619433881 369352474 /nfs/dbraw/zinc/35/24/74/369352474.db2.gz IJCMOOXNECRGMG-NSHDSACASA-N 1 2 248.330 1.407 20 30 BDEDLO C=C(C)CC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459557079 203300200 /nfs/dbraw/zinc/30/02/00/203300200.db2.gz LBYAOAKTYWGFIQ-GFCCVEGCSA-N 1 2 229.320 1.510 20 30 BDEDLO CCOC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405039422 369442577 /nfs/dbraw/zinc/44/25/77/369442577.db2.gz AWEQKASQRQDYSR-ZDUSSCGKSA-N 1 2 246.310 1.271 20 30 BDEDLO CCOC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405039422 369442582 /nfs/dbraw/zinc/44/25/82/369442582.db2.gz AWEQKASQRQDYSR-ZDUSSCGKSA-N 1 2 246.310 1.271 20 30 BDEDLO COCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405060359 369443612 /nfs/dbraw/zinc/44/36/12/369443612.db2.gz QREGNHKGGYNDLJ-UHFFFAOYSA-N 1 2 202.257 1.520 20 30 BDEDLO COCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405060359 369443615 /nfs/dbraw/zinc/44/36/15/369443615.db2.gz QREGNHKGGYNDLJ-UHFFFAOYSA-N 1 2 202.257 1.520 20 30 BDEDLO CNC(=O)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405168806 369448230 /nfs/dbraw/zinc/44/82/30/369448230.db2.gz QCJBJODOLLDFMM-UHFFFAOYSA-N 1 2 243.310 1.400 20 30 BDEDLO CNC(=O)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405168806 369448233 /nfs/dbraw/zinc/44/82/33/369448233.db2.gz QCJBJODOLLDFMM-UHFFFAOYSA-N 1 2 243.310 1.400 20 30 BDEDLO CC1(C#N)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000619510554 369450997 /nfs/dbraw/zinc/45/09/97/369450997.db2.gz KJNGXRQDWZMFQF-UHFFFAOYSA-N 1 2 232.287 1.035 20 30 BDEDLO C[C@@]1(C#N)CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000619511280 369454089 /nfs/dbraw/zinc/45/40/89/369454089.db2.gz ZDXZQQCGTUEZHU-NSHDSACASA-N 1 2 204.277 1.535 20 30 BDEDLO C[C@@]1(C#N)CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000619511280 369454092 /nfs/dbraw/zinc/45/40/92/369454092.db2.gz ZDXZQQCGTUEZHU-NSHDSACASA-N 1 2 204.277 1.535 20 30 BDEDLO C=C[C@H]([NH2+]CC1CCC(OC)CC1)C(=O)OC ZINC000619702840 369535497 /nfs/dbraw/zinc/53/54/97/369535497.db2.gz TWVBQWSSNPAGTC-MCIGGMRASA-N 1 2 241.331 1.509 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000619716239 369545885 /nfs/dbraw/zinc/54/58/85/369545885.db2.gz BVSVOWYLHURGEH-JQWIXIFHSA-N 1 2 249.314 1.317 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000619716239 369545887 /nfs/dbraw/zinc/54/58/87/369545887.db2.gz BVSVOWYLHURGEH-JQWIXIFHSA-N 1 2 249.314 1.317 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000619716241 369546042 /nfs/dbraw/zinc/54/60/42/369546042.db2.gz BVSVOWYLHURGEH-ZYHUDNBSSA-N 1 2 249.314 1.317 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000619716241 369546045 /nfs/dbraw/zinc/54/60/45/369546045.db2.gz BVSVOWYLHURGEH-ZYHUDNBSSA-N 1 2 249.314 1.317 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000619718799 369548504 /nfs/dbraw/zinc/54/85/04/369548504.db2.gz ZCZRKOMGARTTKQ-GHMZBOCLSA-N 1 2 243.372 1.787 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000619718799 369548505 /nfs/dbraw/zinc/54/85/05/369548505.db2.gz ZCZRKOMGARTTKQ-GHMZBOCLSA-N 1 2 243.372 1.787 20 30 BDEDLO CN(Cc1[nH+]ccn1C)[C@@H]1CCC[C@H]1C#N ZINC000250617752 369561152 /nfs/dbraw/zinc/56/11/52/369561152.db2.gz HXDKNKKJXGDPMQ-WDEREUQCSA-N 1 2 218.304 1.544 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cnc(C#N)cn1 ZINC000601191698 369605015 /nfs/dbraw/zinc/60/50/15/369605015.db2.gz MIRUQJJPAKGXBC-SECBINFHSA-N 1 2 242.286 1.738 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435183 369788619 /nfs/dbraw/zinc/78/86/19/369788619.db2.gz RPEXOORIBUYNLT-SNVBAGLBSA-N 1 2 217.272 1.174 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435183 369788620 /nfs/dbraw/zinc/78/86/20/369788620.db2.gz RPEXOORIBUYNLT-SNVBAGLBSA-N 1 2 217.272 1.174 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)Cc1cccc(C#N)n1 ZINC000602704476 369845828 /nfs/dbraw/zinc/84/58/28/369845828.db2.gz FSRIPCTZNTUTFU-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO CC[C@H](C#N)C(=O)Nc1cc[nH+]cc1C ZINC000110878648 369997621 /nfs/dbraw/zinc/99/76/21/369997621.db2.gz YXVJWFOUSVQYEQ-SECBINFHSA-N 1 2 203.245 1.878 20 30 BDEDLO COCC[N@H+](CCC#N)Cc1nc(C)ccc1O ZINC000093099956 371137064 /nfs/dbraw/zinc/13/70/64/371137064.db2.gz BIXVSFROMLBSMJ-UHFFFAOYSA-N 1 2 249.314 1.458 20 30 BDEDLO COCC[N@@H+](CCC#N)Cc1nc(C)ccc1O ZINC000093099956 371137071 /nfs/dbraw/zinc/13/70/71/371137071.db2.gz BIXVSFROMLBSMJ-UHFFFAOYSA-N 1 2 249.314 1.458 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000389286975 371128208 /nfs/dbraw/zinc/12/82/08/371128208.db2.gz WGPLWHJVDKJPPK-CIUDSAMLSA-N 1 2 215.318 1.055 20 30 BDEDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000281928877 371420394 /nfs/dbraw/zinc/42/03/94/371420394.db2.gz AVHUDIWBGBQQPB-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000281928877 371420401 /nfs/dbraw/zinc/42/04/01/371420401.db2.gz AVHUDIWBGBQQPB-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370638 371587979 /nfs/dbraw/zinc/58/79/79/371587979.db2.gz HCTBXEDLASBLGU-ZDUSSCGKSA-N 1 2 233.315 1.897 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370638 371587980 /nfs/dbraw/zinc/58/79/80/371587980.db2.gz HCTBXEDLASBLGU-ZDUSSCGKSA-N 1 2 233.315 1.897 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000631238519 372255587 /nfs/dbraw/zinc/25/55/87/372255587.db2.gz JGFWDDQRDAXBJG-UHFFFAOYSA-N 1 2 205.261 1.382 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000633169978 373319463 /nfs/dbraw/zinc/31/94/63/373319463.db2.gz GZALYBCNRWFSEL-SECBINFHSA-N 1 2 219.288 1.943 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324327 169492564 /nfs/dbraw/zinc/49/25/64/169492564.db2.gz GYKKULNYMCGZGC-SRVKXCTJSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324327 169492565 /nfs/dbraw/zinc/49/25/65/169492565.db2.gz GYKKULNYMCGZGC-SRVKXCTJSA-N 1 2 239.363 1.771 20 30 BDEDLO C#CCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000373005109 533009924 /nfs/dbraw/zinc/00/99/24/533009924.db2.gz PEBYZOFNSGZGNU-GFCCVEGCSA-N 1 2 245.326 1.540 20 30 BDEDLO C#CCCCC(=O)NCCCn1cc[nH+]c1 ZINC000191850030 533014241 /nfs/dbraw/zinc/01/42/41/533014241.db2.gz NSNUTKYMHHGDAF-UHFFFAOYSA-N 1 2 219.288 1.193 20 30 BDEDLO N#CCC[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000569449005 384051571 /nfs/dbraw/zinc/05/15/71/384051571.db2.gz DQIUONUCUPYGSX-GFCCVEGCSA-N 1 2 244.298 1.080 20 30 BDEDLO C#CCCCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298878568 384039227 /nfs/dbraw/zinc/03/92/27/384039227.db2.gz KRZYUECDSDSTBE-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO C#CCCCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298878568 384039232 /nfs/dbraw/zinc/03/92/32/384039232.db2.gz KRZYUECDSDSTBE-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC#N ZINC000332513487 384073229 /nfs/dbraw/zinc/07/32/29/384073229.db2.gz YSJZVLASLMRHSZ-UHFFFAOYSA-N 1 2 225.336 1.431 20 30 BDEDLO C=CCCN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000299147709 384120297 /nfs/dbraw/zinc/12/02/97/384120297.db2.gz YPTMKYACTTXRQX-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C=CCCN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000299147709 384120302 /nfs/dbraw/zinc/12/03/02/384120302.db2.gz YPTMKYACTTXRQX-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C=CC[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000117022871 384130402 /nfs/dbraw/zinc/13/04/02/384130402.db2.gz FIFODPVAQOZWRK-SNVBAGLBSA-N 1 2 222.292 1.147 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCCSCC2)n1 ZINC000335175083 384195831 /nfs/dbraw/zinc/19/58/31/384195831.db2.gz CSHNMFUIYIGFBY-UHFFFAOYSA-N 1 2 239.369 1.954 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCCSCC2)n1 ZINC000335175083 384195837 /nfs/dbraw/zinc/19/58/37/384195837.db2.gz CSHNMFUIYIGFBY-UHFFFAOYSA-N 1 2 239.369 1.954 20 30 BDEDLO CCc1cc(N)nc(SCC2(C#N)CC2)[nH+]1 ZINC000332001948 384305912 /nfs/dbraw/zinc/30/59/12/384305912.db2.gz RQTOFOOZDGWWON-UHFFFAOYSA-N 1 2 234.328 1.847 20 30 BDEDLO Cc1cc(N[C@@H]2CSC2(C)C)c(C#N)c[nH+]1 ZINC000335512378 384295690 /nfs/dbraw/zinc/29/56/90/384295690.db2.gz QXFJPHNPQIULND-LLVKDONJSA-N 1 2 233.340 1.990 20 30 BDEDLO C=CCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428012597 384300426 /nfs/dbraw/zinc/30/04/26/384300426.db2.gz UXZMXTNVCPGYHN-SNVBAGLBSA-N 1 2 219.288 1.280 20 30 BDEDLO C=CCN(CC=C)C(=O)CCn1cc[nH+]c1 ZINC000299682286 384342222 /nfs/dbraw/zinc/34/22/22/384342222.db2.gz TWVHKOIUEYASGU-UHFFFAOYSA-N 1 2 219.288 1.474 20 30 BDEDLO Cc1noc([C@@H](C)[N@H+](C)CCCC#N)n1 ZINC000566418186 384422986 /nfs/dbraw/zinc/42/29/86/384422986.db2.gz BWTCKSSSAFKTAZ-MRVPVSSYSA-N 1 2 208.265 1.675 20 30 BDEDLO Cc1noc([C@@H](C)[N@@H+](C)CCCC#N)n1 ZINC000566418186 384422995 /nfs/dbraw/zinc/42/29/95/384422995.db2.gz BWTCKSSSAFKTAZ-MRVPVSSYSA-N 1 2 208.265 1.675 20 30 BDEDLO C#C[C@H](CCC)NC(=O)NCc1[nH+]ccn1C ZINC000491769272 384619926 /nfs/dbraw/zinc/61/99/26/384619926.db2.gz KPSCAFKINLAJDP-SNVBAGLBSA-N 1 2 234.303 1.021 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000081564923 384622511 /nfs/dbraw/zinc/62/25/11/384622511.db2.gz DQNVHROIARUAEV-MRVPVSSYSA-N 1 2 211.265 1.395 20 30 BDEDLO C=CC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000081564923 384622515 /nfs/dbraw/zinc/62/25/15/384622515.db2.gz DQNVHROIARUAEV-MRVPVSSYSA-N 1 2 211.265 1.395 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000491383119 384628028 /nfs/dbraw/zinc/62/80/28/384628028.db2.gz KSROXBMJGDPNAR-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000491383119 384628036 /nfs/dbraw/zinc/62/80/36/384628036.db2.gz KSROXBMJGDPNAR-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO CC#CCCSc1nc(N)cc(C)[nH+]1 ZINC000155127587 384697472 /nfs/dbraw/zinc/69/74/72/384697472.db2.gz OURNODNGDYLUKC-UHFFFAOYSA-N 1 2 207.302 1.873 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000491396745 384698641 /nfs/dbraw/zinc/69/86/41/384698641.db2.gz ZPVDXPQINKLKIK-VIFPVBQESA-N 1 2 216.288 1.509 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000491396745 384698647 /nfs/dbraw/zinc/69/86/47/384698647.db2.gz ZPVDXPQINKLKIK-VIFPVBQESA-N 1 2 216.288 1.509 20 30 BDEDLO CN(CCC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000103228786 384756918 /nfs/dbraw/zinc/75/69/18/384756918.db2.gz VIVVPUMORTVIEW-UHFFFAOYSA-N 1 2 246.236 1.791 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000363640958 384767739 /nfs/dbraw/zinc/76/77/39/384767739.db2.gz HFQWXDBDXXEJFZ-LBPRGKRZSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000363640958 384767749 /nfs/dbraw/zinc/76/77/49/384767749.db2.gz HFQWXDBDXXEJFZ-LBPRGKRZSA-N 1 2 243.310 1.426 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(OC)s1 ZINC000379892388 384801148 /nfs/dbraw/zinc/80/11/48/384801148.db2.gz BBFAXLKLVILBPL-MRVPVSSYSA-N 1 2 225.317 1.934 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000335286388 384896877 /nfs/dbraw/zinc/89/68/77/384896877.db2.gz RLSVSPQQRZTERU-GXSJLCMTSA-N 1 2 204.277 1.500 20 30 BDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCOC1 ZINC000106936960 384944325 /nfs/dbraw/zinc/94/43/25/384944325.db2.gz JWHAMTLDAQHCQZ-MRVPVSSYSA-N 1 2 220.110 1.616 20 30 BDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCOC1 ZINC000106936960 384944329 /nfs/dbraw/zinc/94/43/29/384944329.db2.gz JWHAMTLDAQHCQZ-MRVPVSSYSA-N 1 2 220.110 1.616 20 30 BDEDLO C=CCCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000359196880 385026157 /nfs/dbraw/zinc/02/61/57/385026157.db2.gz OFRKFSKPRVSFIO-UHFFFAOYSA-N 1 2 248.330 1.765 20 30 BDEDLO CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000151321692 385105033 /nfs/dbraw/zinc/10/50/33/385105033.db2.gz YNFMYOWAEJDHLA-UHFFFAOYSA-N 1 2 234.303 1.339 20 30 BDEDLO CC#CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000536524950 385161061 /nfs/dbraw/zinc/16/10/61/385161061.db2.gz CFINOGVWLSZLGG-UHFFFAOYSA-N 1 2 241.294 1.325 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccccc1 ZINC000063087630 385207952 /nfs/dbraw/zinc/20/79/52/385207952.db2.gz JTFUQVVDHRDHCE-YPMHNXCESA-N 1 2 218.300 1.954 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000063087630 385207964 /nfs/dbraw/zinc/20/79/64/385207964.db2.gz JTFUQVVDHRDHCE-YPMHNXCESA-N 1 2 218.300 1.954 20 30 BDEDLO C#CCN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372991477 533109123 /nfs/dbraw/zinc/10/91/23/533109123.db2.gz UDJDIRWGDGCVKL-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372991477 533109128 /nfs/dbraw/zinc/10/91/28/533109128.db2.gz UDJDIRWGDGCVKL-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C#CC[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372991477 533109131 /nfs/dbraw/zinc/10/91/31/533109131.db2.gz UDJDIRWGDGCVKL-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(N)=O ZINC000298265152 385281844 /nfs/dbraw/zinc/28/18/44/385281844.db2.gz WCCNUNXIMHNPBL-SNVBAGLBSA-N 1 2 234.274 1.135 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(N)=O ZINC000298265152 385281852 /nfs/dbraw/zinc/28/18/52/385281852.db2.gz WCCNUNXIMHNPBL-SNVBAGLBSA-N 1 2 234.274 1.135 20 30 BDEDLO COC[C@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444718565 385458458 /nfs/dbraw/zinc/45/84/58/385458458.db2.gz LBYHCPSKUKPMJA-MNOVXSKESA-N 1 2 226.320 1.008 20 30 BDEDLO COC[C@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444718565 385458461 /nfs/dbraw/zinc/45/84/61/385458461.db2.gz LBYHCPSKUKPMJA-MNOVXSKESA-N 1 2 226.320 1.008 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)cc1OC ZINC000093461325 533119831 /nfs/dbraw/zinc/11/98/31/533119831.db2.gz WLQBGFFWSLBWGY-UHFFFAOYSA-N 1 2 243.306 1.772 20 30 BDEDLO CCCN(CC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171676967 385507468 /nfs/dbraw/zinc/50/74/68/385507468.db2.gz VTMGSPZGUJAGCK-UHFFFAOYSA-N 1 2 242.282 1.710 20 30 BDEDLO Cc1nccnc1C[N@H+](CCC#N)CC1CC1 ZINC000598671603 385626747 /nfs/dbraw/zinc/62/67/47/385626747.db2.gz WTRKOVFCBHMRNS-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1nccnc1C[N@@H+](CCC#N)CC1CC1 ZINC000598671603 385626754 /nfs/dbraw/zinc/62/67/54/385626754.db2.gz WTRKOVFCBHMRNS-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)CC1 ZINC000408201077 385630890 /nfs/dbraw/zinc/63/08/90/385630890.db2.gz GKWRDQGFLUYOQH-JTQLQIEISA-N 1 2 238.331 1.952 20 30 BDEDLO CC[N@H+](CCCSCCOC)[C@H](C)C#N ZINC000595821651 385639386 /nfs/dbraw/zinc/63/93/86/385639386.db2.gz YOHHCTPNMWGUJK-LLVKDONJSA-N 1 2 230.377 1.990 20 30 BDEDLO CC[N@@H+](CCCSCCOC)[C@H](C)C#N ZINC000595821651 385639389 /nfs/dbraw/zinc/63/93/89/385639389.db2.gz YOHHCTPNMWGUJK-LLVKDONJSA-N 1 2 230.377 1.990 20 30 BDEDLO CC#CC[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000645262417 385680570 /nfs/dbraw/zinc/68/05/70/385680570.db2.gz QBVFTEAUPQSPLE-UHFFFAOYSA-N 1 2 242.282 1.587 20 30 BDEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000645262417 385680574 /nfs/dbraw/zinc/68/05/74/385680574.db2.gz QBVFTEAUPQSPLE-UHFFFAOYSA-N 1 2 242.282 1.587 20 30 BDEDLO C=CC[NH+](CC=C)Cc1nccc(N)n1 ZINC000122632177 385710980 /nfs/dbraw/zinc/71/09/80/385710980.db2.gz XSFVSQBESREBMC-UHFFFAOYSA-N 1 2 204.277 1.233 20 30 BDEDLO COC(=O)[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000069150248 385852841 /nfs/dbraw/zinc/85/28/41/385852841.db2.gz CHIKKFJAINYTDG-CYBMUJFWSA-N 1 2 246.310 1.845 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000294608633 385873566 /nfs/dbraw/zinc/87/35/66/385873566.db2.gz NZFPONCRXVKBAM-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000294608633 385873571 /nfs/dbraw/zinc/87/35/71/385873571.db2.gz NZFPONCRXVKBAM-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO COc1cc(C[NH2+]CC(F)F)ccc1C#N ZINC000234835015 386104150 /nfs/dbraw/zinc/10/41/50/386104150.db2.gz UFSUZAZKKSGTTB-UHFFFAOYSA-N 1 2 226.226 1.922 20 30 BDEDLO Cc1cc(N2CC[C@H](C)[C@H](O)C2)c(C#N)c[nH+]1 ZINC000398945788 386206937 /nfs/dbraw/zinc/20/69/37/386206937.db2.gz AUDUGUZYYTWMPR-TVQRCGJNSA-N 1 2 231.299 1.469 20 30 BDEDLO CCC(=O)N1CC[N@H+](CCCSCC#N)C1 ZINC000425520362 386321877 /nfs/dbraw/zinc/32/18/77/386321877.db2.gz QWIBFMQFIHALMT-UHFFFAOYSA-N 1 2 241.360 1.145 20 30 BDEDLO CCC(=O)N1CC[N@@H+](CCCSCC#N)C1 ZINC000425520362 386321880 /nfs/dbraw/zinc/32/18/80/386321880.db2.gz QWIBFMQFIHALMT-UHFFFAOYSA-N 1 2 241.360 1.145 20 30 BDEDLO Cc1cc(NC[C@](C)(O)C2CC2)c(C#N)c[nH+]1 ZINC000398986535 386323222 /nfs/dbraw/zinc/32/32/22/386323222.db2.gz HLOCADHYYVKSBX-ZDUSSCGKSA-N 1 2 231.299 1.257 20 30 BDEDLO C=CC[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488589266 386341039 /nfs/dbraw/zinc/34/10/39/386341039.db2.gz BXFQHVSMCIUFNQ-QWRGUYRKSA-N 1 2 248.330 1.462 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488589254 386342134 /nfs/dbraw/zinc/34/21/34/386342134.db2.gz BXFQHVSMCIUFNQ-MNOVXSKESA-N 1 2 248.330 1.462 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347351725 386347016 /nfs/dbraw/zinc/34/70/16/386347016.db2.gz KJKWXQFXQIDXFV-LBPRGKRZSA-N 1 2 241.310 1.182 20 30 BDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347351725 386347024 /nfs/dbraw/zinc/34/70/24/386347024.db2.gz KJKWXQFXQIDXFV-LBPRGKRZSA-N 1 2 241.310 1.182 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000645406848 386484535 /nfs/dbraw/zinc/48/45/35/386484535.db2.gz CRUSAKMKCWOOMJ-LLVKDONJSA-N 1 2 246.314 1.237 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000645406848 386484541 /nfs/dbraw/zinc/48/45/41/386484541.db2.gz CRUSAKMKCWOOMJ-LLVKDONJSA-N 1 2 246.314 1.237 20 30 BDEDLO CC[C@@H](CCO)Nc1cc(C)[nH+]cc1C#N ZINC000399209101 386491302 /nfs/dbraw/zinc/49/13/02/386491302.db2.gz XCRNMKLOQVOJKC-NSHDSACASA-N 1 2 219.288 1.257 20 30 BDEDLO CCC(CC)(CO)CNc1cc(C)[nH+]cc1C#N ZINC000398998680 386504607 /nfs/dbraw/zinc/50/46/07/386504607.db2.gz RHRUWDVTWNEUBD-UHFFFAOYSA-N 1 2 247.342 1.894 20 30 BDEDLO C=C(Br)C[NH+]1CCC(O)CC1 ZINC000048571318 386577598 /nfs/dbraw/zinc/57/75/98/386577598.db2.gz HIZSDCWWSPVARI-UHFFFAOYSA-N 1 2 220.110 1.352 20 30 BDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000328809557 386621225 /nfs/dbraw/zinc/62/12/25/386621225.db2.gz DLFDKYWOYWEJCC-YUMQZZPRSA-N 1 2 236.275 1.621 20 30 BDEDLO CC#CCSc1[nH+]cnc2c1cnn2C ZINC000097599482 386652860 /nfs/dbraw/zinc/65/28/60/386652860.db2.gz AJOVHBGYWUJNGG-UHFFFAOYSA-N 1 2 218.285 1.479 20 30 BDEDLO Cc1noc(C)c1CC[N@@H+](C)C[C@@H](C)C#N ZINC000330363576 386674560 /nfs/dbraw/zinc/67/45/60/386674560.db2.gz KISBZBTVVGZMJX-VIFPVBQESA-N 1 2 221.304 1.925 20 30 BDEDLO Cc1noc(C)c1CC[N@H+](C)C[C@@H](C)C#N ZINC000330363576 386674564 /nfs/dbraw/zinc/67/45/64/386674564.db2.gz KISBZBTVVGZMJX-VIFPVBQESA-N 1 2 221.304 1.925 20 30 BDEDLO C=CCOCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425585504 386657276 /nfs/dbraw/zinc/65/72/76/386657276.db2.gz IHYOIHQJVCHSED-UHFFFAOYSA-N 1 2 220.272 1.840 20 30 BDEDLO CC(C)(C)OC(=O)C1CC[NH+](CCC#N)CC1 ZINC000330493190 386737494 /nfs/dbraw/zinc/73/74/94/386737494.db2.gz SELSWXBJZZCIDH-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO CC[C@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000330565750 386791260 /nfs/dbraw/zinc/79/12/60/386791260.db2.gz KIYHPNGFJIKQPQ-VIFPVBQESA-N 1 2 224.308 1.564 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366544689 386821098 /nfs/dbraw/zinc/82/10/98/386821098.db2.gz NBHCJAUOLLHTPJ-KGLIPLIRSA-N 1 2 213.280 1.641 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366544689 386821101 /nfs/dbraw/zinc/82/11/01/386821101.db2.gz NBHCJAUOLLHTPJ-KGLIPLIRSA-N 1 2 213.280 1.641 20 30 BDEDLO C[C@H](CNc1ccc(C#N)nc1)[NH+]1CCOCC1 ZINC000267394345 386797068 /nfs/dbraw/zinc/79/70/68/386797068.db2.gz OAQAFBDDBCDCEH-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO CC(C)n1c[nH+]cc1CN(CC#N)C1CC1 ZINC000425332202 386844970 /nfs/dbraw/zinc/84/49/70/386844970.db2.gz YMCMJEQWZNNRGZ-UHFFFAOYSA-N 1 2 218.304 1.952 20 30 BDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000330744150 386877017 /nfs/dbraw/zinc/87/70/17/386877017.db2.gz DBKFXNWCTUENGU-VHSXEESVSA-N 1 2 232.287 1.151 20 30 BDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000330744149 386877782 /nfs/dbraw/zinc/87/77/82/386877782.db2.gz DBKFXNWCTUENGU-UWVGGRQHSA-N 1 2 232.287 1.151 20 30 BDEDLO C=CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335755711 386882510 /nfs/dbraw/zinc/88/25/10/386882510.db2.gz PYDBJDQBTFBJMQ-QMMMGPOBSA-N 1 2 205.261 1.132 20 30 BDEDLO C=CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335755711 386882513 /nfs/dbraw/zinc/88/25/13/386882513.db2.gz PYDBJDQBTFBJMQ-QMMMGPOBSA-N 1 2 205.261 1.132 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@H](C)C[C@@H](C)O)c[nH+]1 ZINC000330815887 386897283 /nfs/dbraw/zinc/89/72/83/386897283.db2.gz OUFZVQOYBIQUBQ-RNFRBKRXSA-N 1 2 211.265 1.182 20 30 BDEDLO Cc1nc(C)c(CNc2cc(C)[nH+]cc2C#N)o1 ZINC000399515790 386924080 /nfs/dbraw/zinc/92/40/80/386924080.db2.gz PCOMBKDGAIGXQR-UHFFFAOYSA-N 1 2 242.282 1.901 20 30 BDEDLO Cc1occc1C[NH+]1CCN(CC#N)CC1 ZINC000334874602 386934322 /nfs/dbraw/zinc/93/43/22/386934322.db2.gz PJVATMHPSKHSGR-UHFFFAOYSA-N 1 2 219.288 1.229 20 30 BDEDLO Cc1ccn2cc(CNC(=O)[C@@H](C)C#N)[nH+]c2c1 ZINC000334823910 386953540 /nfs/dbraw/zinc/95/35/40/386953540.db2.gz JUGPAPAXXYTCBR-JTQLQIEISA-N 1 2 242.282 1.419 20 30 BDEDLO CCC(O)(CC)CNc1cc(C)[nH+]cc1C#N ZINC000398990172 387034225 /nfs/dbraw/zinc/03/42/25/387034225.db2.gz KEWBFASRWKQQEW-UHFFFAOYSA-N 1 2 233.315 1.647 20 30 BDEDLO Cc1cc(NCC[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000399402931 387017483 /nfs/dbraw/zinc/01/74/83/387017483.db2.gz WWNDUQKAECNUMU-LLVKDONJSA-N 1 2 231.299 1.522 20 30 BDEDLO CC1(C#N)CCC(NCC(F)(F)C[NH3+])CC1 ZINC000423333166 387179271 /nfs/dbraw/zinc/17/92/71/387179271.db2.gz DWCDBBJUVBUSER-UHFFFAOYSA-N 1 2 231.290 1.642 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cccnc1C#N ZINC000129924935 387242143 /nfs/dbraw/zinc/24/21/43/387242143.db2.gz FKUDBCGWHRAEID-SNVBAGLBSA-N 1 2 227.271 1.650 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1nccs1 ZINC000572148938 387243397 /nfs/dbraw/zinc/24/33/97/387243397.db2.gz KRGGXSWFHCAXSA-SECBINFHSA-N 1 2 220.301 1.676 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000424680447 387245494 /nfs/dbraw/zinc/24/54/94/387245494.db2.gz KDTVRFNDATXMLM-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000424680447 387245498 /nfs/dbraw/zinc/24/54/98/387245498.db2.gz KDTVRFNDATXMLM-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO COC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000191244691 387356784 /nfs/dbraw/zinc/35/67/84/387356784.db2.gz MXVYXNMUHHDFCU-UHFFFAOYSA-N 1 2 249.314 1.280 20 30 BDEDLO COC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000191244691 387356786 /nfs/dbraw/zinc/35/67/86/387356786.db2.gz MXVYXNMUHHDFCU-UHFFFAOYSA-N 1 2 249.314 1.280 20 30 BDEDLO C=C[C@](C)(O)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421920815 387504922 /nfs/dbraw/zinc/50/49/22/387504922.db2.gz OMMFISWTZYYVQP-AWEZNQCLSA-N 1 2 248.326 1.642 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000276897654 387525505 /nfs/dbraw/zinc/52/55/05/387525505.db2.gz CWHSCNZJYIYOEL-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000276897654 387525509 /nfs/dbraw/zinc/52/55/09/387525509.db2.gz CWHSCNZJYIYOEL-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO CC#CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000277455573 387535592 /nfs/dbraw/zinc/53/55/92/387535592.db2.gz OOUQBKPBHIVDGY-AWEZNQCLSA-N 1 2 242.322 1.525 20 30 BDEDLO CC#CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000277455573 387535599 /nfs/dbraw/zinc/53/55/99/387535599.db2.gz OOUQBKPBHIVDGY-AWEZNQCLSA-N 1 2 242.322 1.525 20 30 BDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(C)(C)CC ZINC000042454422 387629632 /nfs/dbraw/zinc/62/96/32/387629632.db2.gz GZUBKEZEGPCRON-LLVKDONJSA-N 1 2 239.363 1.915 20 30 BDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(C)(C)CC ZINC000042454422 387629636 /nfs/dbraw/zinc/62/96/36/387629636.db2.gz GZUBKEZEGPCRON-LLVKDONJSA-N 1 2 239.363 1.915 20 30 BDEDLO C=CC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000452771811 387912292 /nfs/dbraw/zinc/91/22/92/387912292.db2.gz BSUHSFABWIESQL-UHFFFAOYSA-N 1 2 221.304 1.671 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000645885797 387984888 /nfs/dbraw/zinc/98/48/88/387984888.db2.gz GQFIUDRCXWPSEV-UHFFFAOYSA-N 1 2 220.320 1.700 20 30 BDEDLO C=CCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000645885797 387984892 /nfs/dbraw/zinc/98/48/92/387984892.db2.gz GQFIUDRCXWPSEV-UHFFFAOYSA-N 1 2 220.320 1.700 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC23CCOCC3)n1 ZINC000589515158 388114358 /nfs/dbraw/zinc/11/43/58/388114358.db2.gz MGSLYJOECYKTST-UHFFFAOYSA-N 1 2 249.339 1.770 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC23CCOCC3)n1 ZINC000589515158 388114359 /nfs/dbraw/zinc/11/43/59/388114359.db2.gz MGSLYJOECYKTST-UHFFFAOYSA-N 1 2 249.339 1.770 20 30 BDEDLO C=CC[C@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000440655692 388065062 /nfs/dbraw/zinc/06/50/62/388065062.db2.gz QGNVLRGNUPEHDR-JTQLQIEISA-N 1 2 235.335 1.435 20 30 BDEDLO C=CC[C@H](CC)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000440655692 388065065 /nfs/dbraw/zinc/06/50/65/388065065.db2.gz QGNVLRGNUPEHDR-JTQLQIEISA-N 1 2 235.335 1.435 20 30 BDEDLO COCC[N@H+](CC#N)C[C@H]1CCO[C@H](C)C1 ZINC000453593205 388088895 /nfs/dbraw/zinc/08/88/95/388088895.db2.gz BISLFOBARIWXKE-NEPJUHHUSA-N 1 2 226.320 1.273 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@H]1CCO[C@H](C)C1 ZINC000453593205 388088898 /nfs/dbraw/zinc/08/88/98/388088898.db2.gz BISLFOBARIWXKE-NEPJUHHUSA-N 1 2 226.320 1.273 20 30 BDEDLO C=C1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000533283778 388045415 /nfs/dbraw/zinc/04/54/15/388045415.db2.gz NENYPOOQXFMYLM-UHFFFAOYSA-N 1 2 244.298 1.175 20 30 BDEDLO C=CCCCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000449267636 388164984 /nfs/dbraw/zinc/16/49/84/388164984.db2.gz APJXTQXHWVXKMD-SRVKXCTJSA-N 1 2 243.347 1.633 20 30 BDEDLO C=C(C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456126781 388180351 /nfs/dbraw/zinc/18/03/51/388180351.db2.gz YGNSCOVJVFDGBT-JTQLQIEISA-N 1 2 233.315 1.912 20 30 BDEDLO C=C(C)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000456126781 388180352 /nfs/dbraw/zinc/18/03/52/388180352.db2.gz YGNSCOVJVFDGBT-JTQLQIEISA-N 1 2 233.315 1.912 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000449659290 388249156 /nfs/dbraw/zinc/24/91/56/388249156.db2.gz VQSDVQOOUPJRMD-GHMZBOCLSA-N 1 2 243.372 1.979 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449667547 388251614 /nfs/dbraw/zinc/25/16/14/388251614.db2.gz VCAOCQWSNJURJK-HBNTYKKESA-N 1 2 224.304 1.608 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(O)c1 ZINC000490897802 388258774 /nfs/dbraw/zinc/25/87/74/388258774.db2.gz FUXIUTQDPNQHPZ-UHFFFAOYSA-N 1 2 243.306 1.859 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(O)c1 ZINC000490897802 388258775 /nfs/dbraw/zinc/25/87/75/388258775.db2.gz FUXIUTQDPNQHPZ-UHFFFAOYSA-N 1 2 243.306 1.859 20 30 BDEDLO C#CCN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000491267811 388281126 /nfs/dbraw/zinc/28/11/26/388281126.db2.gz VPEGADYTYLKADY-UHFFFAOYSA-N 1 2 231.299 1.473 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000491285308 388282777 /nfs/dbraw/zinc/28/27/77/388282777.db2.gz CFGRPZWCMOWENJ-GXTWGEPZSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000491285308 388282779 /nfs/dbraw/zinc/28/27/79/388282779.db2.gz CFGRPZWCMOWENJ-GXTWGEPZSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000491295927 388283480 /nfs/dbraw/zinc/28/34/80/388283480.db2.gz JYIGBCVXFYRBAD-VXGBXAGGSA-N 1 2 207.273 1.013 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCC=CO1 ZINC000491295927 388283482 /nfs/dbraw/zinc/28/34/82/388283482.db2.gz JYIGBCVXFYRBAD-VXGBXAGGSA-N 1 2 207.273 1.013 20 30 BDEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000491381418 388290549 /nfs/dbraw/zinc/29/05/49/388290549.db2.gz DXDSAVYXLDBVRS-AAEUAGOBSA-N 1 2 245.326 1.220 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(CC)nc1 ZINC000491421200 388293119 /nfs/dbraw/zinc/29/31/19/388293119.db2.gz ZPPUGDNFSWSCMZ-UHFFFAOYSA-N 1 2 213.284 1.107 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C)s1 ZINC000491430488 388294364 /nfs/dbraw/zinc/29/43/64/388294364.db2.gz YDFBCKKRRUKUKV-LLVKDONJSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C)s1 ZINC000491430488 388294365 /nfs/dbraw/zinc/29/43/65/388294365.db2.gz YDFBCKKRRUKUKV-LLVKDONJSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(C)C ZINC000491454106 388295910 /nfs/dbraw/zinc/29/59/10/388295910.db2.gz VXXYZNUQEPRCJS-LLVKDONJSA-N 1 2 236.359 1.492 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC1(Br)CC1 ZINC000491465058 388296715 /nfs/dbraw/zinc/29/67/15/388296715.db2.gz UNDNXQYBJXEMLK-UHFFFAOYSA-N 1 2 240.144 1.872 20 30 BDEDLO C#CC[N@H+](CC#CC)CC1(Br)CC1 ZINC000491465058 388296717 /nfs/dbraw/zinc/29/67/17/388296717.db2.gz UNDNXQYBJXEMLK-UHFFFAOYSA-N 1 2 240.144 1.872 20 30 BDEDLO C=CCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451850055 388300214 /nfs/dbraw/zinc/30/02/14/388300214.db2.gz KCZDUPWLKOUENV-SECBINFHSA-N 1 2 207.264 1.901 20 30 BDEDLO C=CCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451850055 388300215 /nfs/dbraw/zinc/30/02/15/388300215.db2.gz KCZDUPWLKOUENV-SECBINFHSA-N 1 2 207.264 1.901 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000491537083 388301904 /nfs/dbraw/zinc/30/19/04/388301904.db2.gz ODBLNTPNNHTGSM-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000491537083 388301906 /nfs/dbraw/zinc/30/19/06/388301906.db2.gz ODBLNTPNNHTGSM-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000491545252 388303043 /nfs/dbraw/zinc/30/30/43/388303043.db2.gz POFAWJQKYRTPBU-UHFFFAOYSA-N 1 2 245.238 1.801 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000491545252 388303045 /nfs/dbraw/zinc/30/30/45/388303045.db2.gz POFAWJQKYRTPBU-UHFFFAOYSA-N 1 2 245.238 1.801 20 30 BDEDLO C#C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000491555461 388303752 /nfs/dbraw/zinc/30/37/52/388303752.db2.gz RGELZHMQSFJUAL-BRAIEQGRSA-N 1 2 217.272 1.197 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C)C1CCCCC1)C1CC1 ZINC000491621410 388305364 /nfs/dbraw/zinc/30/53/64/388305364.db2.gz HBADLEYIXURSLE-UHFFFAOYSA-N 1 2 248.370 1.875 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C)C1CCCCC1)C1CC1 ZINC000491621410 388305365 /nfs/dbraw/zinc/30/53/65/388305365.db2.gz HBADLEYIXURSLE-UHFFFAOYSA-N 1 2 248.370 1.875 20 30 BDEDLO C#C[C@@H](CC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000491628191 388305989 /nfs/dbraw/zinc/30/59/89/388305989.db2.gz UUSQAUGWLLDBFB-ZDUSSCGKSA-N 1 2 245.326 1.909 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(CCC)CCC)C1CC1 ZINC000491634606 388307072 /nfs/dbraw/zinc/30/70/72/388307072.db2.gz UGLAVZUQAVCYFV-UHFFFAOYSA-N 1 2 236.359 1.733 20 30 BDEDLO C#CC[N@H+](CC(=O)N(CCC)CCC)C1CC1 ZINC000491634606 388307073 /nfs/dbraw/zinc/30/70/73/388307073.db2.gz UGLAVZUQAVCYFV-UHFFFAOYSA-N 1 2 236.359 1.733 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CC1CC(F)(F)C1 ZINC000491637861 388307336 /nfs/dbraw/zinc/30/73/36/388307336.db2.gz XECCZOIYXGOOPA-JTQLQIEISA-N 1 2 215.243 1.366 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CC1CC(F)(F)C1 ZINC000491637861 388307337 /nfs/dbraw/zinc/30/73/37/388307337.db2.gz XECCZOIYXGOOPA-JTQLQIEISA-N 1 2 215.243 1.366 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccccc1 ZINC000491659427 388308967 /nfs/dbraw/zinc/30/89/67/388308967.db2.gz MPIJYTPRUDYKTR-GFCCVEGCSA-N 1 2 230.311 1.603 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000491659427 388308968 /nfs/dbraw/zinc/30/89/68/388308968.db2.gz MPIJYTPRUDYKTR-GFCCVEGCSA-N 1 2 230.311 1.603 20 30 BDEDLO C#CCNN=C1CCc2ccc[nH+]c2CC1 ZINC000491688748 388310835 /nfs/dbraw/zinc/31/08/35/388310835.db2.gz DEIVWRTTYKMQIL-UHFFFAOYSA-N 1 2 213.284 1.539 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C ZINC000491716111 388314272 /nfs/dbraw/zinc/31/42/72/388314272.db2.gz RSCUSHWPYOBOGA-NSHDSACASA-N 1 2 231.361 1.153 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CCCS(=O)(=O)C(C)C ZINC000491716111 388314273 /nfs/dbraw/zinc/31/42/73/388314273.db2.gz RSCUSHWPYOBOGA-NSHDSACASA-N 1 2 231.361 1.153 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](C2CCCC2)CC1=O ZINC000491716822 388314397 /nfs/dbraw/zinc/31/43/97/388314397.db2.gz UVKKZDNPDVXEOB-TZMCWYRMSA-N 1 2 248.370 1.936 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](C2CCCC2)CC1=O ZINC000491716822 388314398 /nfs/dbraw/zinc/31/43/98/388314398.db2.gz UVKKZDNPDVXEOB-TZMCWYRMSA-N 1 2 248.370 1.936 20 30 BDEDLO C#CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000491731508 388315976 /nfs/dbraw/zinc/31/59/76/388315976.db2.gz INPXXWZLOCLYTG-CQSZACIVSA-N 1 2 231.295 1.399 20 30 BDEDLO C#CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000491731508 388315977 /nfs/dbraw/zinc/31/59/77/388315977.db2.gz INPXXWZLOCLYTG-CQSZACIVSA-N 1 2 231.295 1.399 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000491735603 388316103 /nfs/dbraw/zinc/31/61/03/388316103.db2.gz OVKFXOSJGAWFBP-IUCAKERBSA-N 1 2 224.329 1.650 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000491735603 388316104 /nfs/dbraw/zinc/31/61/04/388316104.db2.gz OVKFXOSJGAWFBP-IUCAKERBSA-N 1 2 224.329 1.650 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000491735599 388316242 /nfs/dbraw/zinc/31/62/42/388316242.db2.gz OVKFXOSJGAWFBP-DTWKUNHWSA-N 1 2 224.329 1.650 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnc([C@@H](C)O)s1 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CC[N@@H+](CCC#N)Cc1c(C)nn(C)c1C ZINC000161144004 323149105 /nfs/dbraw/zinc/14/91/05/323149105.db2.gz WTPYAOSLRHYHAA-UHFFFAOYSA-N 1 2 220.320 1.773 20 30 BDEDLO N#Cc1cccnc1N1CC(n2cc[nH+]c2)C1 ZINC000532087998 323173625 /nfs/dbraw/zinc/17/36/25/323173625.db2.gz RETPRFCZRGRVEZ-UHFFFAOYSA-N 1 2 225.255 1.211 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)c(OC)co1 ZINC000563820940 323179181 /nfs/dbraw/zinc/17/91/81/323179181.db2.gz MOVVYPFDOHCPCD-SECBINFHSA-N 1 2 236.271 1.430 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)c(OC)co1 ZINC000563820949 323179265 /nfs/dbraw/zinc/17/92/65/323179265.db2.gz MOVVYPFDOHCPCD-VIFPVBQESA-N 1 2 236.271 1.430 20 30 BDEDLO N#Cc1ccc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000563894125 323197853 /nfs/dbraw/zinc/19/78/53/323197853.db2.gz HADUMLCWJBAJDM-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000532553473 323276352 /nfs/dbraw/zinc/27/63/52/323276352.db2.gz CHNRFNRANKNCRP-NSHDSACASA-N 1 2 246.314 1.456 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1ncc(Cl)c1C ZINC000491745288 324159412 /nfs/dbraw/zinc/15/94/12/324159412.db2.gz ORAPPGLUVWPNEF-MRVPVSSYSA-N 1 2 211.696 1.756 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1ncc(Cl)c1C ZINC000491745288 324159414 /nfs/dbraw/zinc/15/94/14/324159414.db2.gz ORAPPGLUVWPNEF-MRVPVSSYSA-N 1 2 211.696 1.756 20 30 BDEDLO Cn1nncc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000131160828 325122424 /nfs/dbraw/zinc/12/24/24/325122424.db2.gz PMRFCDDSHKWGFS-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1nncc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131160828 325122426 /nfs/dbraw/zinc/12/24/26/325122426.db2.gz PMRFCDDSHKWGFS-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000135485206 325414550 /nfs/dbraw/zinc/41/45/50/325414550.db2.gz UUONHFSTFUNRHX-UHFFFAOYSA-N 1 2 202.217 1.164 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000565050354 325851995 /nfs/dbraw/zinc/85/19/95/325851995.db2.gz AIBGWSHYWPWFAU-UHXUPSOCSA-N 1 2 249.358 1.383 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000566468382 326052004 /nfs/dbraw/zinc/05/20/04/326052004.db2.gz LLGFEIGUOXFPRJ-CABZTGNLSA-N 1 2 232.287 1.069 20 30 BDEDLO C=CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000154163162 326133848 /nfs/dbraw/zinc/13/38/48/326133848.db2.gz MDGFWXAWGNIBCU-JTQLQIEISA-N 1 2 219.288 1.090 20 30 BDEDLO CCc1occc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567356470 326173084 /nfs/dbraw/zinc/17/30/84/326173084.db2.gz MJDKYDCORMVBRQ-CYBMUJFWSA-N 1 2 249.314 1.416 20 30 BDEDLO CCCN(CC#N)CCC[N@@H+](CC#N)CCC ZINC000157622889 326287433 /nfs/dbraw/zinc/28/74/33/326287433.db2.gz RXRPZFVCUUELLG-UHFFFAOYSA-N 1 2 236.363 1.848 20 30 BDEDLO CCCN(CC#N)CCC[N@H+](CC#N)CCC ZINC000157622889 326287435 /nfs/dbraw/zinc/28/74/35/326287435.db2.gz RXRPZFVCUUELLG-UHFFFAOYSA-N 1 2 236.363 1.848 20 30 BDEDLO C[C@H](CC(=O)NC1(C#N)CCCC1)n1cc[nH+]c1 ZINC000567986393 326291789 /nfs/dbraw/zinc/29/17/89/326291789.db2.gz PPRMXLKMJNDNDA-LLVKDONJSA-N 1 2 246.314 1.787 20 30 BDEDLO N#CCC[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000568754971 326374544 /nfs/dbraw/zinc/37/45/44/326374544.db2.gz UHBDDGVLQGQIPX-NSHDSACASA-N 1 2 247.273 1.434 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)NCC)CC1 ZINC000677475523 488045901 /nfs/dbraw/zinc/04/59/01/488045901.db2.gz AFMWONVQBQHVOQ-GFCCVEGCSA-N 1 2 237.347 1.135 20 30 BDEDLO CN(Cc1[nH+]ccn1C)[C@@H]1CCC[C@@H]1C#N ZINC000062251961 488068005 /nfs/dbraw/zinc/06/80/05/488068005.db2.gz HXDKNKKJXGDPMQ-GHMZBOCLSA-N 1 2 218.304 1.544 20 30 BDEDLO C=C[C@@](C)(O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667652585 488075345 /nfs/dbraw/zinc/07/53/45/488075345.db2.gz DVAZSVNUBLFUQU-CYBMUJFWSA-N 1 2 249.314 1.053 20 30 BDEDLO COCC#CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000677817328 488130979 /nfs/dbraw/zinc/13/09/79/488130979.db2.gz OEBQYEIXILBKBV-LBPRGKRZSA-N 1 2 218.300 1.515 20 30 BDEDLO COCC#CC[N@H+]1CCn2cccc2[C@@H]1C ZINC000677817328 488130983 /nfs/dbraw/zinc/13/09/83/488130983.db2.gz OEBQYEIXILBKBV-LBPRGKRZSA-N 1 2 218.300 1.515 20 30 BDEDLO C=CC[C@@H]1CCCN(c2nc[nH+]c(N)c2OC)C1 ZINC000664257241 487471315 /nfs/dbraw/zinc/47/13/15/487471315.db2.gz XCMUWHKGULHCFZ-SNVBAGLBSA-N 1 2 248.330 1.860 20 30 BDEDLO C=CC[C@@H]1CCCN(c2[nH+]cnc(N)c2OC)C1 ZINC000664257241 487471317 /nfs/dbraw/zinc/47/13/17/487471317.db2.gz XCMUWHKGULHCFZ-SNVBAGLBSA-N 1 2 248.330 1.860 20 30 BDEDLO C=C(C)CCNC(=O)NCc1c[nH+]cn1C ZINC000455000404 487499514 /nfs/dbraw/zinc/49/95/14/487499514.db2.gz RLDBFWJWLXUPLH-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668010848 488184509 /nfs/dbraw/zinc/18/45/09/488184509.db2.gz KWAXACSPJFAPLK-UHFFFAOYSA-N 1 2 206.293 1.621 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668010848 488184514 /nfs/dbraw/zinc/18/45/14/488184514.db2.gz KWAXACSPJFAPLK-UHFFFAOYSA-N 1 2 206.293 1.621 20 30 BDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NO ZINC000671996753 488234956 /nfs/dbraw/zinc/23/49/56/488234956.db2.gz UKBBCQIATNGWIH-UHFFFAOYSA-N 1 2 219.244 1.240 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@@H](C)CCC#N)o1 ZINC000595699339 490165223 /nfs/dbraw/zinc/16/52/23/490165223.db2.gz IUYAWUBIOVURKN-QMMMGPOBSA-N 1 2 208.265 1.502 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@@H](C)CCC#N)o1 ZINC000595699339 490165228 /nfs/dbraw/zinc/16/52/28/490165228.db2.gz IUYAWUBIOVURKN-QMMMGPOBSA-N 1 2 208.265 1.502 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000491641104 491079680 /nfs/dbraw/zinc/07/96/80/491079680.db2.gz ZXFHFWJPGOSOOS-VHSXEESVSA-N 1 2 248.153 1.904 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000491641104 491079681 /nfs/dbraw/zinc/07/96/81/491079681.db2.gz ZXFHFWJPGOSOOS-VHSXEESVSA-N 1 2 248.153 1.904 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(C)nc1C1CC1 ZINC000891715867 582713560 /nfs/dbraw/zinc/71/35/60/582713560.db2.gz JISIMQVVSIIANH-SNVBAGLBSA-N 1 2 232.331 1.889 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC000891715867 582713561 /nfs/dbraw/zinc/71/35/61/582713561.db2.gz JISIMQVVSIIANH-SNVBAGLBSA-N 1 2 232.331 1.889 20 30 BDEDLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193095331 534231346 /nfs/dbraw/zinc/23/13/46/534231346.db2.gz UHUXOAJKWUQEKJ-KXUCPTDWSA-N 1 2 210.277 1.220 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnn(C)c1C1CC1 ZINC000892059045 582779138 /nfs/dbraw/zinc/77/91/38/582779138.db2.gz SJYVBSFCPJNWMR-UHFFFAOYSA-N 1 2 227.311 1.366 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cn2ccnc2s1 ZINC000892059038 582779149 /nfs/dbraw/zinc/77/91/49/582779149.db2.gz SCSPJPJWSFVXDN-UHFFFAOYSA-N 1 2 229.308 1.464 20 30 BDEDLO C=C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000264487393 534468745 /nfs/dbraw/zinc/46/87/45/534468745.db2.gz RTKLQOWZISWAPO-UHFFFAOYSA-N 1 2 229.287 1.520 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336025324 534491047 /nfs/dbraw/zinc/49/10/47/534491047.db2.gz GYOTWWQQSDTNIP-RKDXNWHRSA-N 1 2 234.303 1.141 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336025324 534491056 /nfs/dbraw/zinc/49/10/56/534491056.db2.gz GYOTWWQQSDTNIP-RKDXNWHRSA-N 1 2 234.303 1.141 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000335678518 534501358 /nfs/dbraw/zinc/50/13/58/534501358.db2.gz MUKIXIFLMNEODT-SECBINFHSA-N 1 2 215.256 1.639 20 30 BDEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000340583500 534540772 /nfs/dbraw/zinc/54/07/72/534540772.db2.gz FSPXXLGJNUVTFL-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO C=CCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000340583500 534540775 /nfs/dbraw/zinc/54/07/75/534540775.db2.gz FSPXXLGJNUVTFL-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000372141272 534687333 /nfs/dbraw/zinc/68/73/33/534687333.db2.gz YEJCQGOHKMRZRF-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000372141272 534687338 /nfs/dbraw/zinc/68/73/38/534687338.db2.gz YEJCQGOHKMRZRF-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000378438884 534704641 /nfs/dbraw/zinc/70/46/41/534704641.db2.gz LGPVYUQJXKKORB-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000378438884 534704646 /nfs/dbraw/zinc/70/46/46/534704646.db2.gz LGPVYUQJXKKORB-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000279434433 534738299 /nfs/dbraw/zinc/73/82/99/534738299.db2.gz LCNOZCYIIITOKI-UHFFFAOYSA-N 1 2 248.330 1.691 20 30 BDEDLO C=CCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000279434433 534738305 /nfs/dbraw/zinc/73/83/05/534738305.db2.gz LCNOZCYIIITOKI-UHFFFAOYSA-N 1 2 248.330 1.691 20 30 BDEDLO C=CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000119055688 534860348 /nfs/dbraw/zinc/86/03/48/534860348.db2.gz WLBAMZJFCUZBRN-NWDGAFQWSA-N 1 2 248.330 1.662 20 30 BDEDLO CC(C)c1nc(N2CC(O)(CC#N)C2)cc[nH+]1 ZINC000302548335 534907465 /nfs/dbraw/zinc/90/74/65/534907465.db2.gz JJTGZDYFDKZIHB-UHFFFAOYSA-N 1 2 232.287 1.065 20 30 BDEDLO C#CCCCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492462908 526691684 /nfs/dbraw/zinc/69/16/84/526691684.db2.gz UZPDWKCIZJFSOU-HJWRWDBZSA-N 1 2 245.326 1.836 20 30 BDEDLO C#CCN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491645032 526792248 /nfs/dbraw/zinc/79/22/48/526792248.db2.gz MTNSKLDURGHPTP-UHFFFAOYSA-N 1 2 231.299 1.473 20 30 BDEDLO C#CC[N@@H+](CC)CC(=C)Br ZINC000306975858 526895749 /nfs/dbraw/zinc/89/57/49/526895749.db2.gz AJNPIEJGRNSNNF-UHFFFAOYSA-N 1 2 202.095 1.850 20 30 BDEDLO C#CC[N@H+](CC)CC(=C)Br ZINC000306975858 526895755 /nfs/dbraw/zinc/89/57/55/526895755.db2.gz AJNPIEJGRNSNNF-UHFFFAOYSA-N 1 2 202.095 1.850 20 30 BDEDLO C=CC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493074609 527123878 /nfs/dbraw/zinc/12/38/78/527123878.db2.gz VAAVWEMXLDBBRG-CYNONHLPSA-N 1 2 205.261 1.504 20 30 BDEDLO C#C[C@H](CCC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000491066502 527364238 /nfs/dbraw/zinc/36/42/38/527364238.db2.gz CPRMUOXWDNXENW-VQCYPWCPSA-N 1 2 217.272 1.341 20 30 BDEDLO C#C[C@H](CCC)NC(=O)NCCCn1cc[nH+]c1 ZINC000491803939 527369310 /nfs/dbraw/zinc/36/93/10/527369310.db2.gz KRUBQJXYQKDWKZ-GFCCVEGCSA-N 1 2 248.330 1.374 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493252913 527465420 /nfs/dbraw/zinc/46/54/20/527465420.db2.gz AVGPTUSRWYTZKC-DUVUQDDDSA-N 1 2 247.298 1.273 20 30 BDEDLO C=CCN(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492687804 527552866 /nfs/dbraw/zinc/55/28/66/527552866.db2.gz HWWALALFQTVIBC-VOTSOKGWSA-N 1 2 219.288 1.561 20 30 BDEDLO CC[N@H+](CC#N)CC1(O)CCC(C)CC1 ZINC000305164323 527889432 /nfs/dbraw/zinc/88/94/32/527889432.db2.gz CMCBZVCVJVSAEN-UHFFFAOYSA-N 1 2 210.321 1.773 20 30 BDEDLO CC[N@@H+](CC#N)CC1(O)CCC(C)CC1 ZINC000305164323 527889439 /nfs/dbraw/zinc/88/94/39/527889439.db2.gz CMCBZVCVJVSAEN-UHFFFAOYSA-N 1 2 210.321 1.773 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493456200 528613599 /nfs/dbraw/zinc/61/35/99/528613599.db2.gz RWYLABNDCUQXIS-LWTINBJPSA-N 1 2 232.287 1.431 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493546257 528686118 /nfs/dbraw/zinc/68/61/18/528686118.db2.gz DQWCFNMKRKVSOQ-ORAHPGNNSA-N 1 2 232.287 1.431 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492759716 528902140 /nfs/dbraw/zinc/90/21/40/528902140.db2.gz COSCUUPIHSRSMB-XOULXFPDSA-N 1 2 218.260 1.087 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000356745112 534985926 /nfs/dbraw/zinc/98/59/26/534985926.db2.gz XJYGHFYPPNKYOM-MNOVXSKESA-N 1 2 225.336 1.333 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000356745112 534985930 /nfs/dbraw/zinc/98/59/30/534985930.db2.gz XJYGHFYPPNKYOM-MNOVXSKESA-N 1 2 225.336 1.333 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289751277 535726424 /nfs/dbraw/zinc/72/64/24/535726424.db2.gz PZJYGNVZGIRASV-IUCAKERBSA-N 1 2 239.344 1.978 20 30 BDEDLO CCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330867089 535976401 /nfs/dbraw/zinc/97/64/01/535976401.db2.gz XYDXSUJCEOOGBO-WDEREUQCSA-N 1 2 233.319 1.388 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289751271 536057859 /nfs/dbraw/zinc/05/78/59/536057859.db2.gz PZJYGNVZGIRASV-DTWKUNHWSA-N 1 2 239.344 1.978 20 30 BDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCCC#N ZINC000360555548 536505851 /nfs/dbraw/zinc/50/58/51/536505851.db2.gz BBKPUTNJHNGCKD-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCCC#N ZINC000360555548 536505860 /nfs/dbraw/zinc/50/58/60/536505860.db2.gz BBKPUTNJHNGCKD-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCC#N ZINC000360555546 536524537 /nfs/dbraw/zinc/52/45/37/536524537.db2.gz BBKPUTNJHNGCKD-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCCC#N ZINC000360555546 536524544 /nfs/dbraw/zinc/52/45/44/536524544.db2.gz BBKPUTNJHNGCKD-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO CO[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000334305391 536688218 /nfs/dbraw/zinc/68/82/18/536688218.db2.gz DYXXNMYIGWGXLY-LLVKDONJSA-N 1 2 234.274 1.918 20 30 BDEDLO COc1cc(C[NH2+]CCC#N)cc(OC)c1 ZINC000020200046 536795674 /nfs/dbraw/zinc/79/56/74/536795674.db2.gz XZPGGQJEUUHBIO-UHFFFAOYSA-N 1 2 220.272 1.707 20 30 BDEDLO COCC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329418169 536799963 /nfs/dbraw/zinc/79/99/63/536799963.db2.gz GHBKNWKSJPNTKB-SECBINFHSA-N 1 2 249.314 1.650 20 30 BDEDLO COCC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329418169 536799966 /nfs/dbraw/zinc/79/99/66/536799966.db2.gz GHBKNWKSJPNTKB-SECBINFHSA-N 1 2 249.314 1.650 20 30 BDEDLO COCC1(C#N)CC[NH+](CCC#N)CC1 ZINC000341996093 536801469 /nfs/dbraw/zinc/80/14/69/536801469.db2.gz VCFJWXHWZSDHFM-UHFFFAOYSA-N 1 2 207.277 1.152 20 30 BDEDLO C[C@@H]1CCCCN1[NH+]=Cc1cn(C)[nH]c1=O ZINC000853382133 583043949 /nfs/dbraw/zinc/04/39/49/583043949.db2.gz UCJRAWQCVGJJHK-SECBINFHSA-N 1 2 222.292 1.334 20 30 BDEDLO Cc1[nH]c(CN=Nc2cc(C)nc(C)n2)[nH+]c1C ZINC000853290695 588731157 /nfs/dbraw/zinc/73/11/57/588731157.db2.gz GWYKAHNYFZRTRC-UHFFFAOYSA-N 1 2 244.302 1.879 20 30 BDEDLO CC(C)n1cc[nH+]c1CN=Nc1ncncc1F ZINC000853348394 588736514 /nfs/dbraw/zinc/73/65/14/588736514.db2.gz CWBYUUWWUGVUFL-UHFFFAOYSA-N 1 2 248.265 1.839 20 30 BDEDLO C(=[NH+]n1ccnn1)[C@@H]1CCN(c2ccccc2)C1 ZINC000853355166 588737572 /nfs/dbraw/zinc/73/75/72/588737572.db2.gz IXHXDIMKCCJMTJ-LBPRGKRZSA-N 1 2 241.298 1.639 20 30 BDEDLO c1cn(CCCNN=C2COC3(CCC3)C2)c[nH+]1 ZINC000853372442 588738797 /nfs/dbraw/zinc/73/87/97/588738797.db2.gz NVOJWMBNEPWJEI-UHFFFAOYSA-N 1 2 248.330 1.562 20 30 BDEDLO Cc1nnc(N=NCc2[nH+]ccn2C(C)C)n1C ZINC000853431300 588741740 /nfs/dbraw/zinc/74/17/40/588741740.db2.gz VKOIVDRRWIATPX-UHFFFAOYSA-N 1 2 247.306 1.347 20 30 BDEDLO C#Cc1cccnc1N1CCn2cc(C)[nH+]c2C1 ZINC000853474499 588745086 /nfs/dbraw/zinc/74/50/86/588745086.db2.gz UTMMMKDYYFVZGS-UHFFFAOYSA-N 1 2 238.294 1.588 20 30 BDEDLO C=CC[N@H+](CN1CCCC1=O)[C@@H](C)COC ZINC000853532558 588747769 /nfs/dbraw/zinc/74/77/69/588747769.db2.gz HAQAHDDGDKAQMU-NSHDSACASA-N 1 2 226.320 1.089 20 30 BDEDLO C=CC[N@@H+](CN1CCCC1=O)[C@@H](C)COC ZINC000853532558 588747770 /nfs/dbraw/zinc/74/77/70/588747770.db2.gz HAQAHDDGDKAQMU-NSHDSACASA-N 1 2 226.320 1.089 20 30 BDEDLO Cc1ccn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(=O)c1C#N ZINC000853575535 588749357 /nfs/dbraw/zinc/74/93/57/588749357.db2.gz HEPHYEBSYUUPKI-VXGBXAGGSA-N 1 2 243.310 1.328 20 30 BDEDLO Cc1ccn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(=O)c1C#N ZINC000853575535 588749358 /nfs/dbraw/zinc/74/93/58/588749358.db2.gz HEPHYEBSYUUPKI-VXGBXAGGSA-N 1 2 243.310 1.328 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cn1cc[nH]c1=S ZINC000853621063 588750460 /nfs/dbraw/zinc/75/04/60/588750460.db2.gz OSNPJKCFPMJMQP-UHFFFAOYSA-N 1 2 239.344 1.101 20 30 BDEDLO C#CCC[N@H+](CCOC)Cn1cc[nH]c1=S ZINC000853621063 588750461 /nfs/dbraw/zinc/75/04/61/588750461.db2.gz OSNPJKCFPMJMQP-UHFFFAOYSA-N 1 2 239.344 1.101 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000854219664 588780038 /nfs/dbraw/zinc/78/00/38/588780038.db2.gz SRFVOLDBHBVEFN-BDAKNGLRSA-N 1 2 238.291 1.286 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000855026448 588820658 /nfs/dbraw/zinc/82/06/58/588820658.db2.gz FFXCEQDUFVPFCI-SECBINFHSA-N 1 2 235.287 1.139 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000855026448 588820659 /nfs/dbraw/zinc/82/06/59/588820659.db2.gz FFXCEQDUFVPFCI-SECBINFHSA-N 1 2 235.287 1.139 20 30 BDEDLO C#CCCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855137075 588823172 /nfs/dbraw/zinc/82/31/72/588823172.db2.gz WOQWHLGFGAUYIZ-UHFFFAOYSA-N 1 2 219.288 1.562 20 30 BDEDLO C#CCCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855137075 588823173 /nfs/dbraw/zinc/82/31/73/588823173.db2.gz WOQWHLGFGAUYIZ-UHFFFAOYSA-N 1 2 219.288 1.562 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000890545973 582469145 /nfs/dbraw/zinc/46/91/45/582469145.db2.gz LSRQZEMTHZTSLF-BTDICHCPSA-N 1 2 231.299 1.610 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)CNc1cccc[nH+]1 ZINC000890549278 582470671 /nfs/dbraw/zinc/47/06/71/582470671.db2.gz JVEJXQGUMIHYOK-NSHDSACASA-N 1 2 231.299 1.671 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000890551202 582472812 /nfs/dbraw/zinc/47/28/12/582472812.db2.gz XURQNQZAUXULSA-JQWIXIFHSA-N 1 2 233.315 1.765 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000890551202 582472813 /nfs/dbraw/zinc/47/28/13/582472813.db2.gz XURQNQZAUXULSA-JQWIXIFHSA-N 1 2 233.315 1.765 20 30 BDEDLO C=C1CCC(C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000890886238 582586389 /nfs/dbraw/zinc/58/63/89/582586389.db2.gz JRQYIXAXFXEJBH-CQSZACIVSA-N 1 2 249.358 1.693 20 30 BDEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)o1 ZINC000891715566 582713551 /nfs/dbraw/zinc/71/35/51/582713551.db2.gz FGSNRTVOPVJPNN-SECBINFHSA-N 1 2 208.261 1.880 20 30 BDEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)o1 ZINC000891715566 582713552 /nfs/dbraw/zinc/71/35/52/582713552.db2.gz FGSNRTVOPVJPNN-SECBINFHSA-N 1 2 208.261 1.880 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc2c1OCC2 ZINC000892059224 582778681 /nfs/dbraw/zinc/77/86/81/582778681.db2.gz ZSPSEZXHLMCANR-UHFFFAOYSA-N 1 2 225.291 1.690 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnn(CC2CCC2)c1 ZINC000892059005 582779182 /nfs/dbraw/zinc/77/91/82/582779182.db2.gz RADDTNIZCXQPEV-UHFFFAOYSA-N 1 2 241.338 1.752 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1C ZINC000892765338 582977741 /nfs/dbraw/zinc/97/77/41/582977741.db2.gz UHYXKGRGMNKBCK-LLVKDONJSA-N 1 2 246.314 1.117 20 30 BDEDLO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@](F)(C#N)C2)C1 ZINC000851974238 582988334 /nfs/dbraw/zinc/98/83/34/582988334.db2.gz VXIWLZXZSHYUGW-MXWKQRLJSA-N 1 2 212.268 1.491 20 30 BDEDLO CO[C@@H]1CC[C@@H]([N@H+]2CC[C@](F)(C#N)C2)C1 ZINC000851974238 582988338 /nfs/dbraw/zinc/98/83/38/582988338.db2.gz VXIWLZXZSHYUGW-MXWKQRLJSA-N 1 2 212.268 1.491 20 30 BDEDLO C[C@]1(C#N)CCCN(c2cc[nH+]cc2CO)C1 ZINC000893141072 583056384 /nfs/dbraw/zinc/05/63/84/583056384.db2.gz LNVKJJUFBOJJET-CYBMUJFWSA-N 1 2 231.299 1.704 20 30 BDEDLO Cc1cc(N)nc(N2CCC[C@](C)(C#N)C2)[nH+]1 ZINC000893140843 583056483 /nfs/dbraw/zinc/05/64/83/583056483.db2.gz FBQDVACYVBUCLJ-GFCCVEGCSA-N 1 2 231.303 1.497 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cncc(Cl)c1 ZINC000856727110 588875273 /nfs/dbraw/zinc/87/52/73/588875273.db2.gz JAXQHDDTMCCWHW-UHFFFAOYSA-N 1 2 218.687 1.803 20 30 BDEDLO C=CC[C@@H](CO)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000893284686 583085815 /nfs/dbraw/zinc/08/58/15/583085815.db2.gz SHVNAYJJWNZLKW-GHMZBOCLSA-N 1 2 243.347 1.491 20 30 BDEDLO C#C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000775383406 583088939 /nfs/dbraw/zinc/08/89/39/583088939.db2.gz AERMTULVBWNDBZ-SNVBAGLBSA-N 1 2 240.266 1.019 20 30 BDEDLO N#C[C@@]1(F)CCN(c2cc[nH+]cc2CO)C1 ZINC000893405468 583138400 /nfs/dbraw/zinc/13/84/00/583138400.db2.gz DSESUNPUZLPOJE-NSHDSACASA-N 1 2 221.235 1.016 20 30 BDEDLO CCc1onc(C)c1C[NH2+]C[C@H](C)C#N ZINC000893544155 583159982 /nfs/dbraw/zinc/15/99/82/583159982.db2.gz JUMAFQIPMHZFNP-MRVPVSSYSA-N 1 2 207.277 1.795 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893544085 583160150 /nfs/dbraw/zinc/16/01/50/583160150.db2.gz JHWAQIHTIXTCGK-SECBINFHSA-N 1 2 218.304 1.547 20 30 BDEDLO C#CC[C@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893926027 583249233 /nfs/dbraw/zinc/24/92/33/583249233.db2.gz RBLJTVFWKUDUQW-GFCCVEGCSA-N 1 2 245.326 1.849 20 30 BDEDLO CN(Cc1csc(C#N)c1)Cc1[nH]cc[nH+]1 ZINC000894089597 583298543 /nfs/dbraw/zinc/29/85/43/583298543.db2.gz GFOYJLKRMOLZSR-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000878094258 583361260 /nfs/dbraw/zinc/36/12/60/583361260.db2.gz PABLYXAPWUATHR-GRYCIOLGSA-N 1 2 241.331 1.603 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000878094258 583361262 /nfs/dbraw/zinc/36/12/62/583361262.db2.gz PABLYXAPWUATHR-GRYCIOLGSA-N 1 2 241.331 1.603 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000894427810 583456304 /nfs/dbraw/zinc/45/63/04/583456304.db2.gz NXZCLEYARJBSPQ-JTQLQIEISA-N 1 2 216.288 1.368 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000894427810 583456306 /nfs/dbraw/zinc/45/63/06/583456306.db2.gz NXZCLEYARJBSPQ-JTQLQIEISA-N 1 2 216.288 1.368 20 30 BDEDLO C=C[C@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894623150 583496146 /nfs/dbraw/zinc/49/61/46/583496146.db2.gz FJRGKCATDMZXGX-RKDXNWHRSA-N 1 2 208.261 1.094 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CC(SC)C1)C(=O)OC ZINC000894857969 583532898 /nfs/dbraw/zinc/53/28/98/583532898.db2.gz GQKJQJRNFFMSNP-UDNWOFFPSA-N 1 2 227.329 1.035 20 30 BDEDLO C=CCC[C@H](NCc1c[nH+]c[nH]1)C(=O)OCC ZINC000894915822 583555481 /nfs/dbraw/zinc/55/54/81/583555481.db2.gz GLIPBJRMKFIIOG-NSHDSACASA-N 1 2 237.303 1.397 20 30 BDEDLO C=CCC[C@H](NCc1c[nH]c[nH+]1)C(=O)OCC ZINC000894915822 583555483 /nfs/dbraw/zinc/55/54/83/583555483.db2.gz GLIPBJRMKFIIOG-NSHDSACASA-N 1 2 237.303 1.397 20 30 BDEDLO CCn1cc(C[NH2+]CC2(C#N)CCC2)nn1 ZINC000894967853 583560412 /nfs/dbraw/zinc/56/04/12/583560412.db2.gz XJSQTIRYNCBMQP-UHFFFAOYSA-N 1 2 219.292 1.081 20 30 BDEDLO N#CCn1cc(Nc2[nH+]cnc3[nH]ccc32)cn1 ZINC000726968347 583577205 /nfs/dbraw/zinc/57/72/05/583577205.db2.gz KWIZLRDMNMLKFJ-UHFFFAOYSA-N 1 2 239.242 1.422 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895106713 583589860 /nfs/dbraw/zinc/58/98/60/583589860.db2.gz FFZQJKMIVKXMBR-CYBMUJFWSA-N 1 2 246.314 1.068 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000895106713 583589862 /nfs/dbraw/zinc/58/98/62/583589862.db2.gz FFZQJKMIVKXMBR-CYBMUJFWSA-N 1 2 246.314 1.068 20 30 BDEDLO N#CC[C@@]1(O)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000895106713 583589863 /nfs/dbraw/zinc/58/98/63/583589863.db2.gz FFZQJKMIVKXMBR-CYBMUJFWSA-N 1 2 246.314 1.068 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000883005388 583683608 /nfs/dbraw/zinc/68/36/08/583683608.db2.gz LXYFSHRITMLRLX-CMPLNLGQSA-N 1 2 236.315 1.874 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OCC ZINC000895597756 583695338 /nfs/dbraw/zinc/69/53/38/583695338.db2.gz KXLTWXQCWTWSIM-NWDGAFQWSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CC1(F)CN(Cc2c[nH+]c3c(C)cccn23)C1 ZINC000895615979 583696580 /nfs/dbraw/zinc/69/65/80/583696580.db2.gz MMMDTTSSNRFZSJ-UHFFFAOYSA-N 1 2 243.285 1.800 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(OC)o1)C1CSC1 ZINC000895810419 583730434 /nfs/dbraw/zinc/73/04/34/583730434.db2.gz CXKGARQSOMINGU-UHFFFAOYSA-N 1 2 237.324 1.839 20 30 BDEDLO C#CC[N@H+](Cc1ccc(OC)o1)C1CSC1 ZINC000895810419 583730435 /nfs/dbraw/zinc/73/04/35/583730435.db2.gz CXKGARQSOMINGU-UHFFFAOYSA-N 1 2 237.324 1.839 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)CC#N)CCN2 ZINC000857998683 588924992 /nfs/dbraw/zinc/92/49/92/588924992.db2.gz GCYAZFOYMPTRAH-UHFFFAOYSA-N 1 2 216.244 1.062 20 30 BDEDLO C#CC[N@@H+](Cc1[nH]nc(C)c1C)C1CSC1 ZINC000895811780 583733188 /nfs/dbraw/zinc/73/31/88/583733188.db2.gz VAFMMFCHRXLTOR-UHFFFAOYSA-N 1 2 235.356 1.577 20 30 BDEDLO C#CC[N@H+](Cc1[nH]nc(C)c1C)C1CSC1 ZINC000895811780 583733189 /nfs/dbraw/zinc/73/31/89/583733189.db2.gz VAFMMFCHRXLTOR-UHFFFAOYSA-N 1 2 235.356 1.577 20 30 BDEDLO C#CCN(Cc1c[nH+]cn1CC)C1CSC1 ZINC000895813800 583733793 /nfs/dbraw/zinc/73/37/93/583733793.db2.gz IATOTORGYJGMAD-UHFFFAOYSA-N 1 2 235.356 1.454 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](OC)C2)cc1 ZINC000895969186 583754956 /nfs/dbraw/zinc/75/49/56/583754956.db2.gz YVWGQTUULDDFQF-AWEZNQCLSA-N 1 2 231.295 1.473 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](OC)C2)cc1 ZINC000895969186 583754958 /nfs/dbraw/zinc/75/49/58/583754958.db2.gz YVWGQTUULDDFQF-AWEZNQCLSA-N 1 2 231.295 1.473 20 30 BDEDLO C#CCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980266 588927143 /nfs/dbraw/zinc/92/71/43/588927143.db2.gz VYZDEUOHKQMYSH-SNVBAGLBSA-N 1 2 217.272 1.248 20 30 BDEDLO N#CCCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979038 588927155 /nfs/dbraw/zinc/92/71/55/588927155.db2.gz SVTPOHWVDHHKFH-NSHDSACASA-N 1 2 246.314 1.918 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911058 583853035 /nfs/dbraw/zinc/85/30/35/583853035.db2.gz ZDNQWSAKVQMDJI-GFCCVEGCSA-N 1 2 234.303 1.583 20 30 BDEDLO C=C1CC(C)(c2noc([C@@H]3C[N@H+](C)CCO3)n2)C1 ZINC000896921131 583856816 /nfs/dbraw/zinc/85/68/16/583856816.db2.gz GPEJVVZGGJSBEP-JTQLQIEISA-N 1 2 249.314 1.680 20 30 BDEDLO C=C1CC(C)(c2noc([C@@H]3C[N@@H+](C)CCO3)n2)C1 ZINC000896921131 583856819 /nfs/dbraw/zinc/85/68/19/583856819.db2.gz GPEJVVZGGJSBEP-JTQLQIEISA-N 1 2 249.314 1.680 20 30 BDEDLO C=C(C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897331851 583923918 /nfs/dbraw/zinc/92/39/18/583923918.db2.gz UTYJDXBAQIMGHU-UHFFFAOYSA-N 1 2 235.331 1.961 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000862574390 583965009 /nfs/dbraw/zinc/96/50/09/583965009.db2.gz JIOIUPRUQAVEPD-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO C[C@@]1(C#N)C[N@H+](CC2CCSCC2)CCO1 ZINC000897586827 584022639 /nfs/dbraw/zinc/02/26/39/584022639.db2.gz WPWWDIGXMFLGSE-GFCCVEGCSA-N 1 2 240.372 1.744 20 30 BDEDLO C[C@@]1(C#N)C[N@@H+](CC2CCSCC2)CCO1 ZINC000897586827 584022640 /nfs/dbraw/zinc/02/26/40/584022640.db2.gz WPWWDIGXMFLGSE-GFCCVEGCSA-N 1 2 240.372 1.744 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1O ZINC000730103601 584123903 /nfs/dbraw/zinc/12/39/03/584123903.db2.gz DZNLAVGNOSYTEF-LBPRGKRZSA-N 1 2 244.294 1.428 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1O ZINC000730103601 584123904 /nfs/dbraw/zinc/12/39/04/584123904.db2.gz DZNLAVGNOSYTEF-LBPRGKRZSA-N 1 2 244.294 1.428 20 30 BDEDLO C#CCOCCNc1[nH+]cccc1OC ZINC000858482015 588959159 /nfs/dbraw/zinc/95/91/59/588959159.db2.gz LJETYYDQTOZGER-UHFFFAOYSA-N 1 2 206.245 1.152 20 30 BDEDLO C=CCCn1cc(C[NH2+]C/C=C/Cl)nn1 ZINC000898429506 584133464 /nfs/dbraw/zinc/13/34/64/584133464.db2.gz OTFGVLKQIMRIGN-SNAWJCMRSA-N 1 2 226.711 1.696 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620440 584147908 /nfs/dbraw/zinc/14/79/08/584147908.db2.gz NOFKUPGYKJGWSC-GFCCVEGCSA-N 1 2 248.330 1.670 20 30 BDEDLO C=CCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898902673 584165066 /nfs/dbraw/zinc/16/50/66/584165066.db2.gz QCNBINITIKKQAD-UHFFFAOYSA-N 1 2 221.304 1.701 20 30 BDEDLO CCn1c[nH+]c(/C=C2\C(=O)c3nccn3[C@H]2C)c1 ZINC000899392223 584211333 /nfs/dbraw/zinc/21/13/33/584211333.db2.gz OXBXRNBSMOYLAM-ISAHRAOESA-N 1 2 242.282 1.940 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000899900869 584249251 /nfs/dbraw/zinc/24/92/51/584249251.db2.gz XERKOXNYSUEODR-CQSZACIVSA-N 1 2 247.338 1.915 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000899901553 584249938 /nfs/dbraw/zinc/24/99/38/584249938.db2.gz OUGZNMQEDKBWLV-CQSZACIVSA-N 1 2 247.338 1.915 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)N[C@@H](C#N)C(C)C ZINC000900635495 584334071 /nfs/dbraw/zinc/33/40/71/584334071.db2.gz UHHTXLVGPDHHCH-NSHDSACASA-N 1 2 246.314 1.710 20 30 BDEDLO CCN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000901283000 584415844 /nfs/dbraw/zinc/41/58/44/584415844.db2.gz VFXCWBWTZHFPAL-UHFFFAOYSA-N 1 2 227.258 1.974 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901307607 584420480 /nfs/dbraw/zinc/42/04/80/584420480.db2.gz NONAXATUFWEQMU-DOFRTFSJSA-N 1 2 236.319 1.598 20 30 BDEDLO C[C@H]1C[C@@H]1C=[NH+]n1nnc2c1CCCC2 ZINC000901330992 584425172 /nfs/dbraw/zinc/42/51/72/584425172.db2.gz IASCNEXMYLDISC-DTWKUNHWSA-N 1 2 204.277 1.647 20 30 BDEDLO C#CCCOC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000858896080 588983188 /nfs/dbraw/zinc/98/31/88/588983188.db2.gz QTVLTFAXXAOXHF-UHFFFAOYSA-N 1 2 247.298 1.397 20 30 BDEDLO CCn1cc(C(=O)/C=C/c2c[nH+]cn2C)cn1 ZINC000901464722 584451428 /nfs/dbraw/zinc/45/14/28/584451428.db2.gz MFRGLCAGPRZJJY-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO CC(C)n1cc(C(=O)/C=C/c2c[nH+]cn2C)nn1 ZINC000901527975 584458762 /nfs/dbraw/zinc/45/87/62/584458762.db2.gz FUVABDBQWTULGR-SNAWJCMRSA-N 1 2 245.286 1.489 20 30 BDEDLO Cc1[nH]c(/C=C2/CCn3ccnc3C2=O)[nH+]c1C ZINC000901538064 584460722 /nfs/dbraw/zinc/46/07/22/584460722.db2.gz WNYQBCGOKWMFLF-YFHOEESVSA-N 1 2 242.282 1.893 20 30 BDEDLO Cn1ccc(C(=O)/C=C/c2cn(C3CC3)c[nH+]2)n1 ZINC000901544396 584463975 /nfs/dbraw/zinc/46/39/75/584463975.db2.gz UUUDQBAJPORPLE-GORDUTHDSA-N 1 2 242.282 1.848 20 30 BDEDLO COc1cn(C[N@H+](C)C[C@H](C)C#N)c(C)cc1=O ZINC000902077559 584520399 /nfs/dbraw/zinc/52/03/99/584520399.db2.gz ZZRBFNYGKDMWOF-SNVBAGLBSA-N 1 2 249.314 1.214 20 30 BDEDLO COc1cn(C[N@@H+](C)C[C@H](C)C#N)c(C)cc1=O ZINC000902077559 584520400 /nfs/dbraw/zinc/52/04/00/584520400.db2.gz ZZRBFNYGKDMWOF-SNVBAGLBSA-N 1 2 249.314 1.214 20 30 BDEDLO CCn1c[nH+]cc1CNc1cc(C#N)ccn1 ZINC000902110457 584526937 /nfs/dbraw/zinc/52/69/37/584526937.db2.gz SQYNKXWSMCCDGL-UHFFFAOYSA-N 1 2 227.271 1.782 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](CN2CCOC2=O)C1 ZINC000902312376 584555096 /nfs/dbraw/zinc/55/50/96/584555096.db2.gz REOZFDXMGBKKLI-JTQLQIEISA-N 1 2 223.276 1.022 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](CN2CCOC2=O)C1 ZINC000902312376 584555097 /nfs/dbraw/zinc/55/50/97/584555097.db2.gz REOZFDXMGBKKLI-JTQLQIEISA-N 1 2 223.276 1.022 20 30 BDEDLO C#CCCOC(=O)NCCNc1cccc[nH+]1 ZINC000859063367 588995836 /nfs/dbraw/zinc/99/58/36/588995836.db2.gz ZUAPRIMJNXDOPU-UHFFFAOYSA-N 1 2 233.271 1.243 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn(CC)cn1)[C@@H]1CCCO1 ZINC000902487473 584626764 /nfs/dbraw/zinc/62/67/64/584626764.db2.gz HBDVSGBSQZOQNL-STQMWFEESA-N 1 2 233.315 1.173 20 30 BDEDLO CCn1c[nH+]c(CNc2n[nH]cc2C#N)c1 ZINC000902560017 584634667 /nfs/dbraw/zinc/63/46/67/584634667.db2.gz SGIXNBUNKZCNDF-UHFFFAOYSA-N 1 2 216.248 1.110 20 30 BDEDLO C#CCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781352 584670095 /nfs/dbraw/zinc/67/00/95/584670095.db2.gz PAWIQZOGIMSZJI-UHFFFAOYSA-N 1 2 200.241 1.975 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903002777 584716014 /nfs/dbraw/zinc/71/60/14/584716014.db2.gz HGHCTVPIBXQMKK-GFCCVEGCSA-N 1 2 240.322 1.621 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903002777 584716016 /nfs/dbraw/zinc/71/60/16/584716016.db2.gz HGHCTVPIBXQMKK-GFCCVEGCSA-N 1 2 240.322 1.621 20 30 BDEDLO CCN(CCO)N=C1CCc2ccc[nH+]c2CC1 ZINC000842538833 584900876 /nfs/dbraw/zinc/90/08/76/584900876.db2.gz PIBNTSRLKPMLJJ-UHFFFAOYSA-N 1 2 247.342 1.631 20 30 BDEDLO CCCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000842551552 584968668 /nfs/dbraw/zinc/96/86/68/584968668.db2.gz ATSPHHCJVNZEJY-UHFFFAOYSA-N 1 2 213.306 1.970 20 30 BDEDLO C[C@H](C(=O)OCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000735959853 584984703 /nfs/dbraw/zinc/98/47/03/584984703.db2.gz QTGJFEIKMZJTGO-LLVKDONJSA-N 1 2 244.294 1.500 20 30 BDEDLO C[C@H](C(=O)OCC#N)[N@H+]1CCc2ccccc2C1 ZINC000735959853 584984704 /nfs/dbraw/zinc/98/47/04/584984704.db2.gz QTGJFEIKMZJTGO-LLVKDONJSA-N 1 2 244.294 1.500 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)C1CCC1)C(=O)OC ZINC000839166815 585095397 /nfs/dbraw/zinc/09/53/97/585095397.db2.gz ARUVHFYPLWPBRK-GXSJLCMTSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)OC ZINC000839167372 585095421 /nfs/dbraw/zinc/09/54/21/585095421.db2.gz FNNMSCOLIRYIRZ-ZYHUDNBSSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)Cc1ccoc1)C(=O)OC ZINC000839167958 585095637 /nfs/dbraw/zinc/09/56/37/585095637.db2.gz IQOHQVJHBRXLES-PWSUYJOCSA-N 1 2 235.283 1.365 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(=O)OC ZINC000839170174 585095929 /nfs/dbraw/zinc/09/59/29/585095929.db2.gz XDAHWNWYBUSKHF-XQQFMLRXSA-N 1 2 235.327 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)OC ZINC000839169196 585096082 /nfs/dbraw/zinc/09/60/82/585096082.db2.gz PRPCHIABYZLSFR-DCAQKATOSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000839169492 585096258 /nfs/dbraw/zinc/09/62/58/585096258.db2.gz SNMVASWSCWFTON-RYUDHWBXSA-N 1 2 221.300 1.497 20 30 BDEDLO C=CC[N@@H+](CC(=O)N(C)OC)Cc1ccccc1 ZINC000746499149 585169013 /nfs/dbraw/zinc/16/90/13/585169013.db2.gz GIQJXBNBASBYTD-UHFFFAOYSA-N 1 2 248.326 1.694 20 30 BDEDLO C=CC[N@H+](CC(=O)N(C)OC)Cc1ccccc1 ZINC000746499149 585169014 /nfs/dbraw/zinc/16/90/14/585169014.db2.gz GIQJXBNBASBYTD-UHFFFAOYSA-N 1 2 248.326 1.694 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000747926768 585185809 /nfs/dbraw/zinc/18/58/09/585185809.db2.gz WKPPECRTRXMCFC-ZDUSSCGKSA-N 1 2 244.294 1.428 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000747926768 585185810 /nfs/dbraw/zinc/18/58/10/585185810.db2.gz WKPPECRTRXMCFC-ZDUSSCGKSA-N 1 2 244.294 1.428 20 30 BDEDLO C#Cc1ccc(C(=O)NCc2[nH]c[nH+]c2C)nc1 ZINC000748406417 585192325 /nfs/dbraw/zinc/19/23/25/585192325.db2.gz PTOMTHUUYXWMHR-UHFFFAOYSA-N 1 2 240.266 1.024 20 30 BDEDLO C[C@@H]1C[N@H+](CC/N=C/c2ccccc2O)CCO1 ZINC000750950380 585222912 /nfs/dbraw/zinc/22/29/12/585222912.db2.gz UDXIPORJGRKFCX-JXCQQFQQSA-N 1 2 248.326 1.532 20 30 BDEDLO C[C@@H]1C[N@@H+](CC/N=C/c2ccccc2O)CCO1 ZINC000750950380 585222913 /nfs/dbraw/zinc/22/29/13/585222913.db2.gz UDXIPORJGRKFCX-JXCQQFQQSA-N 1 2 248.326 1.532 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C2\CC[C@H](C)C2)CC1 ZINC000753607550 585263819 /nfs/dbraw/zinc/26/38/19/585263819.db2.gz PHZBWVYVISJYDB-REQDGWNSSA-N 1 2 246.354 1.510 20 30 BDEDLO C1CC[C@@H]2[NH+]=C(N=NC3CCCOC3)N[C@H]2C1 ZINC000753928136 585272327 /nfs/dbraw/zinc/27/23/27/585272327.db2.gz IPPSFPAUCSOBTC-QWRGUYRKSA-N 1 2 236.319 1.013 20 30 BDEDLO C#CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000753971340 585274045 /nfs/dbraw/zinc/27/40/45/585274045.db2.gz QQHKHUKLOBPGOE-UHFFFAOYSA-N 1 2 225.251 1.122 20 30 BDEDLO Cc1[nH]c[nH+]c1C=Nn1cnc2ccccc21 ZINC000755613109 585302348 /nfs/dbraw/zinc/30/23/48/585302348.db2.gz SXUXILOYLVURDS-UHFFFAOYSA-N 1 2 225.255 1.950 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000755647905 585303343 /nfs/dbraw/zinc/30/33/43/585303343.db2.gz AYAYZLMYOBEQBQ-UHFFFAOYSA-N 1 2 246.230 1.467 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2cccnc2N)nc1 ZINC000764690886 585470942 /nfs/dbraw/zinc/47/09/42/585470942.db2.gz UOUFJDOFKFBSDT-UHFFFAOYSA-N 1 2 227.271 1.813 20 30 BDEDLO C[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766612364 585504325 /nfs/dbraw/zinc/50/43/25/585504325.db2.gz NLPRCQWWKCJHQP-UHFFFAOYSA-N 1 2 243.310 1.260 20 30 BDEDLO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766612364 585504326 /nfs/dbraw/zinc/50/43/26/585504326.db2.gz NLPRCQWWKCJHQP-UHFFFAOYSA-N 1 2 243.310 1.260 20 30 BDEDLO C=C(Cl)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000767894464 585527767 /nfs/dbraw/zinc/52/77/67/585527767.db2.gz BOPJVFUICJMCGZ-UHFFFAOYSA-N 1 2 225.679 1.686 20 30 BDEDLO C#CCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000767938961 585528542 /nfs/dbraw/zinc/52/85/42/585528542.db2.gz POXSOLPADIYSLE-UHFFFAOYSA-N 1 2 217.272 1.265 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000769519854 585558683 /nfs/dbraw/zinc/55/86/83/585558683.db2.gz PZYSCYQWFAGXFO-SNVBAGLBSA-N 1 2 242.282 1.612 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000769961429 585567497 /nfs/dbraw/zinc/56/74/97/585567497.db2.gz KQULNLQYVYBBNU-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000769961429 585567498 /nfs/dbraw/zinc/56/74/98/585567498.db2.gz KQULNLQYVYBBNU-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO Cc1nnc(C)n1N=Cc1cccc2[nH+]ccn21 ZINC000771097690 585590401 /nfs/dbraw/zinc/59/04/01/585590401.db2.gz OLUPBUTTZAWMBD-UHFFFAOYSA-N 1 2 240.270 1.425 20 30 BDEDLO C=C(CC)CO[NH+]=C(N)COC(C)C ZINC000773176913 585632951 /nfs/dbraw/zinc/63/29/51/585632951.db2.gz AGXOHNADPKEUBJ-UHFFFAOYSA-N 1 2 200.282 1.876 20 30 BDEDLO Cc1ccc(CCC=NN2CCCNC2=O)c[nH+]1 ZINC000774399057 585657400 /nfs/dbraw/zinc/65/74/00/585657400.db2.gz JSQHTRZCPQSNEK-UHFFFAOYSA-N 1 2 246.314 1.724 20 30 BDEDLO Oc1ccccc1/C=[NH+]/CCc1cnccn1 ZINC000774542386 585660773 /nfs/dbraw/zinc/66/07/73/585660773.db2.gz PBFXZFWLRNMCRO-NTEUORMPSA-N 1 2 227.267 1.844 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccn1CC)[C@H]1CCCO1 ZINC000775343881 585676203 /nfs/dbraw/zinc/67/62/03/585676203.db2.gz ZBAHYPCFPNDXAH-VXGBXAGGSA-N 1 2 233.315 1.173 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCCO1 ZINC000775789967 585684722 /nfs/dbraw/zinc/68/47/22/585684722.db2.gz NRQWLNNLKANPRI-VXGBXAGGSA-N 1 2 246.310 1.822 20 30 BDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000777959631 585724577 /nfs/dbraw/zinc/72/45/77/585724577.db2.gz VKMLIRTZEQJQQE-ZDUSSCGKSA-N 1 2 238.331 1.627 20 30 BDEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000777959631 585724578 /nfs/dbraw/zinc/72/45/78/585724578.db2.gz VKMLIRTZEQJQQE-ZDUSSCGKSA-N 1 2 238.331 1.627 20 30 BDEDLO CC(C)OCCNN=Cc1cccc2[nH+]ccn21 ZINC000778554730 585737091 /nfs/dbraw/zinc/73/70/91/585737091.db2.gz WHUCIKCIBXJPKR-UHFFFAOYSA-N 1 2 246.314 1.683 20 30 BDEDLO O=C1c2ccc(O)cc2C/C1=C/c1[nH]cc[nH+]1 ZINC000780186909 585773409 /nfs/dbraw/zinc/77/34/09/585773409.db2.gz QABBFDASFGBCPM-CLFYSBASSA-N 1 2 226.235 1.938 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000781198412 585793011 /nfs/dbraw/zinc/79/30/11/585793011.db2.gz URKOYNDQAOEKII-VHSXEESVSA-N 1 2 242.344 1.269 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2ccc(F)cc2F)cn1 ZINC000781573464 585798948 /nfs/dbraw/zinc/79/89/48/585798948.db2.gz GLLCXBOFJBGLNZ-UHFFFAOYSA-N 1 2 249.224 1.783 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2cccc(F)c2F)cn1 ZINC000781592943 585799919 /nfs/dbraw/zinc/79/99/19/585799919.db2.gz OPJCCJVPHYNUTF-UHFFFAOYSA-N 1 2 249.224 1.783 20 30 BDEDLO Cc1ccnc(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781593308 585799984 /nfs/dbraw/zinc/79/99/84/585799984.db2.gz WAADMUNGQWGXNZ-UHFFFAOYSA-N 1 2 228.259 1.208 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)OCC[NH+]1CCOCC1 ZINC000785761048 585879949 /nfs/dbraw/zinc/87/99/49/585879949.db2.gz HGFJPVVUAQFLHI-ZDUSSCGKSA-N 1 2 241.331 1.464 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nonc1C ZINC000785997711 585885125 /nfs/dbraw/zinc/88/51/25/585885125.db2.gz QVWQBADTNRWOTO-SNVBAGLBSA-N 1 2 207.277 1.919 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nonc1C ZINC000785997711 585885126 /nfs/dbraw/zinc/88/51/26/585885126.db2.gz QVWQBADTNRWOTO-SNVBAGLBSA-N 1 2 207.277 1.919 20 30 BDEDLO C=CCC[N@@H+](C)Cn1ncc2ccccc2c1=O ZINC000786101526 585887427 /nfs/dbraw/zinc/88/74/27/585887427.db2.gz LONIZCWMIGWCDS-UHFFFAOYSA-N 1 2 243.310 1.862 20 30 BDEDLO C=CCC[N@H+](C)Cn1ncc2ccccc2c1=O ZINC000786101526 585887428 /nfs/dbraw/zinc/88/74/28/585887428.db2.gz LONIZCWMIGWCDS-UHFFFAOYSA-N 1 2 243.310 1.862 20 30 BDEDLO C#CCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000788673999 585928990 /nfs/dbraw/zinc/92/89/90/585928990.db2.gz AOYTZPZMGDNSLI-RIYZIHGNSA-N 1 2 232.283 1.420 20 30 BDEDLO Cc1cc(C)nc(N=NC(C)c2[nH]cc[nH+]2)n1 ZINC000790136362 585958547 /nfs/dbraw/zinc/95/85/47/585958547.db2.gz IJBLPJUCSHHEHR-UHFFFAOYSA-N 1 2 230.275 1.653 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cc(C#N)cs1 ZINC000790299908 585962752 /nfs/dbraw/zinc/96/27/52/585962752.db2.gz JYVZRGINRWPHPZ-UHFFFAOYSA-N 1 2 231.284 1.799 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792236657 585998411 /nfs/dbraw/zinc/99/84/11/585998411.db2.gz PENAKCHDFFPAFP-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792236657 585998412 /nfs/dbraw/zinc/99/84/12/585998412.db2.gz PENAKCHDFFPAFP-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO C[C@H](NN=Cc1c[nH+]cn1C)C(C)(C)C ZINC000793112041 586010670 /nfs/dbraw/zinc/01/06/70/586010670.db2.gz NVQBRPVGARVCAP-VIFPVBQESA-N 1 2 208.309 1.778 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ccc(Cl)nn2)c1 ZINC000794457156 586040188 /nfs/dbraw/zinc/04/01/88/586040188.db2.gz WBPBBWTYKQBOGQ-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO Cc1cc(N=NCc2cn(C)c[nH+]2)nc(C)n1 ZINC000794494700 586040748 /nfs/dbraw/zinc/04/07/48/586040748.db2.gz IDUBQVNIQLYXEL-UHFFFAOYSA-N 1 2 230.275 1.273 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2cncc(Cl)n2)c1 ZINC000794492379 586040816 /nfs/dbraw/zinc/04/08/16/586040816.db2.gz OZHISCYRHNHGEG-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO Cc1ccc(N=NCc2cn(C)c[nH+]2)nc1 ZINC000794506050 586041085 /nfs/dbraw/zinc/04/10/85/586041085.db2.gz IPCVLZARNSLNPK-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO FC1(CN=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000794538817 586042672 /nfs/dbraw/zinc/04/26/72/586042672.db2.gz XBRXGZDXMPQXGR-UHFFFAOYSA-N 1 2 246.249 1.562 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(CC)s1 ZINC000794578608 586044895 /nfs/dbraw/zinc/04/48/95/586044895.db2.gz AZPMYSPSVKPCNR-UHFFFAOYSA-N 1 2 223.345 1.944 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(CC)s1 ZINC000794578608 586044896 /nfs/dbraw/zinc/04/48/96/586044896.db2.gz AZPMYSPSVKPCNR-UHFFFAOYSA-N 1 2 223.345 1.944 20 30 BDEDLO COCCN(C)N=CCCc1ccc(C)[nH+]c1 ZINC000794972154 586059827 /nfs/dbraw/zinc/05/98/27/586059827.db2.gz MHGOBQCQXJFMGL-UHFFFAOYSA-N 1 2 235.331 1.887 20 30 BDEDLO C#C[C@H](Nc1cc(-n2cc[nH+]c2)ncn1)C(C)C ZINC000798408948 586143480 /nfs/dbraw/zinc/14/34/80/586143480.db2.gz NEOQHXUZHRMKCC-NSHDSACASA-N 1 2 241.298 1.732 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000798419648 586143633 /nfs/dbraw/zinc/14/36/33/586143633.db2.gz PFGZNUGTOGTVRX-LLVKDONJSA-N 1 2 241.294 1.238 20 30 BDEDLO C#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC000799045726 586155179 /nfs/dbraw/zinc/15/51/79/586155179.db2.gz QPMXHJIUJJGVKF-LLVKDONJSA-N 1 2 241.294 1.722 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cnc(Cl)cn1 ZINC000799125813 586161206 /nfs/dbraw/zinc/16/12/06/586161206.db2.gz MQOJBZNUEYHTDC-UHFFFAOYSA-N 1 2 209.680 1.585 20 30 BDEDLO C#CC[N@H+](CC)Cc1cnc(Cl)cn1 ZINC000799125813 586161208 /nfs/dbraw/zinc/16/12/08/586161208.db2.gz MQOJBZNUEYHTDC-UHFFFAOYSA-N 1 2 209.680 1.585 20 30 BDEDLO CCC(CC)[NH2+]NC1=CC(=O)N2CCCC[C@@H]12 ZINC000799480660 586178589 /nfs/dbraw/zinc/17/85/89/586178589.db2.gz PWTOMFMABLEWIM-LBPRGKRZSA-N 1 2 237.347 1.905 20 30 BDEDLO CC(C)OCC(N)=[NH+]OCCC(C)(C)C#N ZINC000799961974 586203871 /nfs/dbraw/zinc/20/38/71/586203871.db2.gz JMHVGXYKCMOEFT-UHFFFAOYSA-N 1 2 227.308 1.850 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccccc1O ZINC000800355491 586213007 /nfs/dbraw/zinc/21/30/07/586213007.db2.gz GOCCBRHGMLOIRB-LLVKDONJSA-N 1 2 235.283 1.552 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000800383792 586214279 /nfs/dbraw/zinc/21/42/79/586214279.db2.gz CZWWWAIYJQFZBT-DGCLKSJQSA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000800383792 586214280 /nfs/dbraw/zinc/21/42/80/586214280.db2.gz CZWWWAIYJQFZBT-DGCLKSJQSA-N 1 2 246.310 1.599 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562203 586262856 /nfs/dbraw/zinc/26/28/56/586262856.db2.gz XFTOEQZSTBNETI-VHSXEESVSA-N 1 2 217.259 1.754 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562203 586262857 /nfs/dbraw/zinc/26/28/57/586262857.db2.gz XFTOEQZSTBNETI-VHSXEESVSA-N 1 2 217.259 1.754 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585947 589047514 /nfs/dbraw/zinc/04/75/14/589047514.db2.gz XYKAZYKOHIDOSK-AWEZNQCLSA-N 1 2 230.311 1.884 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585947 589047516 /nfs/dbraw/zinc/04/75/16/589047516.db2.gz XYKAZYKOHIDOSK-AWEZNQCLSA-N 1 2 230.311 1.884 20 30 BDEDLO C=CCN1CCN(C[N@H+](CC=C)C2CC2)C1=O ZINC000840043852 586393182 /nfs/dbraw/zinc/39/31/82/586393182.db2.gz TUSQNIKBMDOSDY-UHFFFAOYSA-N 1 2 235.331 1.518 20 30 BDEDLO C=CCN1CCN(C[N@@H+](CC=C)C2CC2)C1=O ZINC000840043852 586393184 /nfs/dbraw/zinc/39/31/84/586393184.db2.gz TUSQNIKBMDOSDY-UHFFFAOYSA-N 1 2 235.331 1.518 20 30 BDEDLO C#Cc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1 ZINC000809621235 586509262 /nfs/dbraw/zinc/50/92/62/586509262.db2.gz XWJHECPXGFUIRW-UHFFFAOYSA-N 1 2 225.295 1.989 20 30 BDEDLO C#CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810231036 586537223 /nfs/dbraw/zinc/53/72/23/586537223.db2.gz QYFVJDURXSPGPZ-UHFFFAOYSA-N 1 2 228.255 1.479 20 30 BDEDLO C[C@@H]1CCOCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000811506905 586560195 /nfs/dbraw/zinc/56/01/95/586560195.db2.gz KCRVEJDOBWHQDE-SECBINFHSA-N 1 2 237.328 1.626 20 30 BDEDLO C[C@@H]1CCOCC[N@H+]1Cc1nc(C#N)cs1 ZINC000811506905 586560196 /nfs/dbraw/zinc/56/01/96/586560196.db2.gz KCRVEJDOBWHQDE-SECBINFHSA-N 1 2 237.328 1.626 20 30 BDEDLO Cn1c[nH+]cc1C/N=C/c1cccc(O)c1O ZINC000811624832 586562059 /nfs/dbraw/zinc/56/20/59/586562059.db2.gz SPIKJJZYVFLNAC-WLRTZDKTSA-N 1 2 231.255 1.450 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNC[C@@H]1CCSC1 ZINC000811661680 586564672 /nfs/dbraw/zinc/56/46/72/586564672.db2.gz QFWGUJXZOOCMNM-VIFPVBQESA-N 1 2 224.333 1.395 20 30 BDEDLO C#CCO[NH+]=Cc1ccc(N(C)C)s1 ZINC000812233768 586571312 /nfs/dbraw/zinc/57/13/12/586571312.db2.gz DABAVPIZTRKSMR-UHFFFAOYSA-N 1 2 208.286 1.798 20 30 BDEDLO C=C(C)CCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661815 586589295 /nfs/dbraw/zinc/58/92/95/586589295.db2.gz PKVPBVXMOFVVIW-LLVKDONJSA-N 1 2 242.319 1.504 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)CCCC#N ZINC000813074144 586590534 /nfs/dbraw/zinc/59/05/34/586590534.db2.gz WDCAGZMYQWFECI-UHFFFAOYSA-N 1 2 207.233 1.157 20 30 BDEDLO Cn1cc(C=[NH+]Nc2cccc(C#N)c2)c(=O)[nH]1 ZINC000814217466 586618144 /nfs/dbraw/zinc/61/81/44/586618144.db2.gz IJYIUHVNFGLVHC-UHFFFAOYSA-N 1 2 241.254 1.443 20 30 BDEDLO CNC(=S)N[NH+]=C1CCCc2ccc(N)cc21 ZINC000814692525 586629604 /nfs/dbraw/zinc/62/96/04/586629604.db2.gz WPLDEAAKQDTJTQ-UHFFFAOYSA-N 1 2 248.355 1.403 20 30 BDEDLO C=CCC(F)(F)C(=O)OCCc1c[nH+]cn1C ZINC000816030170 586704611 /nfs/dbraw/zinc/70/46/11/586704611.db2.gz GBUDOQQAKGTHCS-UHFFFAOYSA-N 1 2 244.241 1.717 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnn(C)c1Cl ZINC000816593201 586742757 /nfs/dbraw/zinc/74/27/57/586742757.db2.gz IRBPRZROYQRGCM-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816593201 586742759 /nfs/dbraw/zinc/74/27/59/586742759.db2.gz IRBPRZROYQRGCM-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO N#Cc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816835228 586767943 /nfs/dbraw/zinc/76/79/43/586767943.db2.gz XRKGJTWIVRFXJP-UHFFFAOYSA-N 1 2 226.239 1.463 20 30 BDEDLO c1c[nH+]c2c(c1)CCC(=NN1CCOCC1)CC2 ZINC000817322203 586794237 /nfs/dbraw/zinc/79/42/37/586794237.db2.gz MXKUKFAYWFIAPT-UHFFFAOYSA-N 1 2 245.326 1.649 20 30 BDEDLO C#CCON=C1CCc2ccc[nH+]c2CC1 ZINC000817329103 586795544 /nfs/dbraw/zinc/79/55/44/586795544.db2.gz RLWLAMZZSSQHHB-UHFFFAOYSA-N 1 2 214.268 1.966 20 30 BDEDLO COc1cccc2c1C[N@H+](CCO[C@H](C)C#N)C2 ZINC000859939876 589072220 /nfs/dbraw/zinc/07/22/20/589072220.db2.gz SBUDFSQQYYUEOP-LLVKDONJSA-N 1 2 246.310 1.939 20 30 BDEDLO COc1cccc2c1C[N@@H+](CCO[C@H](C)C#N)C2 ZINC000859939876 589072222 /nfs/dbraw/zinc/07/22/22/589072222.db2.gz SBUDFSQQYYUEOP-LLVKDONJSA-N 1 2 246.310 1.939 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000818978483 586918940 /nfs/dbraw/zinc/91/89/40/586918940.db2.gz WLQYJXBZVVNQQM-JTQLQIEISA-N 1 2 246.301 1.750 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000818978483 586918942 /nfs/dbraw/zinc/91/89/42/586918942.db2.gz WLQYJXBZVVNQQM-JTQLQIEISA-N 1 2 246.301 1.750 20 30 BDEDLO C#CCNC(=O)CC[NH2+]c1ccc2c(c1)CCO2 ZINC000819404533 586961998 /nfs/dbraw/zinc/96/19/98/586961998.db2.gz TUNCZFIEKSZPOW-UHFFFAOYSA-N 1 2 244.294 1.173 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@H]1CCSC1 ZINC000819814171 586998106 /nfs/dbraw/zinc/99/81/06/586998106.db2.gz YKHQLKNDCUNMBA-JTQLQIEISA-N 1 2 238.360 1.893 20 30 BDEDLO Cc1cc(NC2COC(C)(C)OC2)c(C#N)c[nH+]1 ZINC000819923857 587002270 /nfs/dbraw/zinc/00/22/70/587002270.db2.gz FKLQHCZTXVLBGE-UHFFFAOYSA-N 1 2 247.298 1.247 20 30 BDEDLO C#CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000819987193 587011573 /nfs/dbraw/zinc/01/15/73/587011573.db2.gz QNLPMGNHFSFVQX-GFCCVEGCSA-N 1 2 233.315 1.610 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C)O ZINC000820599255 587058352 /nfs/dbraw/zinc/05/83/52/587058352.db2.gz RMGHPXXAPVKYBX-LLVKDONJSA-N 1 2 234.299 1.667 20 30 BDEDLO C#CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822370864 587164657 /nfs/dbraw/zinc/16/46/57/587164657.db2.gz QNZWIPGMOIRFBY-GFCCVEGCSA-N 1 2 233.315 1.562 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000823304640 587215195 /nfs/dbraw/zinc/21/51/95/587215195.db2.gz AELZYBOEKGZMFQ-UONOGXRCSA-N 1 2 248.370 1.590 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nn(CC)nc1C ZINC000824281734 587264521 /nfs/dbraw/zinc/26/45/21/587264521.db2.gz JRULMKNPQNCTNT-UHFFFAOYSA-N 1 2 238.335 1.241 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nn(CC)nc1C ZINC000824281734 587264523 /nfs/dbraw/zinc/26/45/23/587264523.db2.gz JRULMKNPQNCTNT-UHFFFAOYSA-N 1 2 238.335 1.241 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nn(CC)nc1C ZINC000824297217 587265456 /nfs/dbraw/zinc/26/54/56/587265456.db2.gz RKOMDGIUBBOFEW-SECBINFHSA-N 1 2 206.293 1.060 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nn(CC)nc1C ZINC000824297217 587265458 /nfs/dbraw/zinc/26/54/58/587265458.db2.gz RKOMDGIUBBOFEW-SECBINFHSA-N 1 2 206.293 1.060 20 30 BDEDLO N#CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000824645386 587281038 /nfs/dbraw/zinc/28/10/38/587281038.db2.gz HCHMMJSVSPTKPU-UHFFFAOYSA-N 1 2 245.330 1.739 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000825502254 587321922 /nfs/dbraw/zinc/32/19/22/587321922.db2.gz VEZAZAALVLNWRD-SSDOTTSWSA-N 1 2 246.236 1.831 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000825710630 587333471 /nfs/dbraw/zinc/33/34/71/587333471.db2.gz WADCRSAKMIVEOJ-QMMMGPOBSA-N 1 2 245.248 1.892 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000825710630 587333472 /nfs/dbraw/zinc/33/34/72/587333472.db2.gz WADCRSAKMIVEOJ-QMMMGPOBSA-N 1 2 245.248 1.892 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000826075435 587350454 /nfs/dbraw/zinc/35/04/54/587350454.db2.gz UOHCABQURNBDNB-GFCCVEGCSA-N 1 2 247.342 1.869 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@H]1C ZINC000826990549 587367191 /nfs/dbraw/zinc/36/71/91/587367191.db2.gz IOWSFNXWRIICGU-VXGBXAGGSA-N 1 2 237.343 1.919 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@H]1C ZINC000826990549 587367192 /nfs/dbraw/zinc/36/71/92/587367192.db2.gz IOWSFNXWRIICGU-VXGBXAGGSA-N 1 2 237.343 1.919 20 30 BDEDLO C#CCO[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000827165599 587371664 /nfs/dbraw/zinc/37/16/64/587371664.db2.gz GOXLHRWHRCPJJB-NSHDSACASA-N 1 2 232.283 1.097 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1csnn1)[C@@H]1CCCO1 ZINC000828954958 587475352 /nfs/dbraw/zinc/47/53/52/587475352.db2.gz YYZLPMZFLRVRGA-QXEWZRGKSA-N 1 2 237.328 1.370 20 30 BDEDLO N#CCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829126477 587483867 /nfs/dbraw/zinc/48/38/67/587483867.db2.gz YOBSMHHDRADALZ-UHFFFAOYSA-N 1 2 236.706 1.792 20 30 BDEDLO N#CCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829126477 587483868 /nfs/dbraw/zinc/48/38/68/587483868.db2.gz YOBSMHHDRADALZ-UHFFFAOYSA-N 1 2 236.706 1.792 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831608056 587623132 /nfs/dbraw/zinc/62/31/32/587623132.db2.gz ZRDFDWHLVPUEMV-VHSXEESVSA-N 1 2 232.287 1.623 20 30 BDEDLO C=CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000831638954 587625093 /nfs/dbraw/zinc/62/50/93/587625093.db2.gz RDZFJWMHZBDLHU-UHFFFAOYSA-N 1 2 205.261 1.129 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)OCCCC ZINC000831678695 587627381 /nfs/dbraw/zinc/62/73/81/587627381.db2.gz FJVGUBHBKNJUJX-TUAOUCFPSA-N 1 2 241.331 1.651 20 30 BDEDLO C=CCC[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000834663601 587763425 /nfs/dbraw/zinc/76/34/25/587763425.db2.gz IOISBKVLNKBIAP-ZDUSSCGKSA-N 1 2 232.283 1.899 20 30 BDEDLO C=CC(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835370364 587798579 /nfs/dbraw/zinc/79/85/79/587798579.db2.gz FQYNUXNJKMKMOP-SNVBAGLBSA-N 1 2 229.295 1.786 20 30 BDEDLO C=CC(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835370364 587798580 /nfs/dbraw/zinc/79/85/80/587798580.db2.gz FQYNUXNJKMKMOP-SNVBAGLBSA-N 1 2 229.295 1.786 20 30 BDEDLO CC(C)(C)C#CC(=O)NCCn1cc[nH+]c1 ZINC000837342450 587867895 /nfs/dbraw/zinc/86/78/95/587867895.db2.gz RXGILQHODRQEQN-UHFFFAOYSA-N 1 2 219.288 1.049 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000837631190 587886350 /nfs/dbraw/zinc/88/63/50/587886350.db2.gz NOEHOJBBNHMGRI-NSHDSACASA-N 1 2 245.326 1.364 20 30 BDEDLO CO[C@@H]1COCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000840706141 587917108 /nfs/dbraw/zinc/91/71/08/587917108.db2.gz HEVGCSLYVKOULA-DENBWPDVSA-N 1 2 249.310 1.863 20 30 BDEDLO C[C@]1(C/[NH+]=C/c2ccccc2O)CCC(=O)N1 ZINC000840708357 587917171 /nfs/dbraw/zinc/91/71/71/587917171.db2.gz AJHUKVOMEFKLAD-SJWLEHQBSA-N 1 2 232.283 1.480 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000840953880 587932060 /nfs/dbraw/zinc/93/20/60/587932060.db2.gz BYXGYIIDVMIJCO-CQSZACIVSA-N 1 2 233.286 1.838 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000840953880 587932062 /nfs/dbraw/zinc/93/20/62/587932062.db2.gz BYXGYIIDVMIJCO-CQSZACIVSA-N 1 2 233.286 1.838 20 30 BDEDLO CC[C@@H](C)CON=C(N)C[NH+]1CCSCC1 ZINC000121495743 587948595 /nfs/dbraw/zinc/94/85/95/587948595.db2.gz DAROKBIGBYEJCO-SNVBAGLBSA-N 1 2 245.392 1.370 20 30 BDEDLO CCn1c[nH+]cc1CN=Nc1nccc(OC)n1 ZINC000841618253 587960350 /nfs/dbraw/zinc/96/03/50/587960350.db2.gz DDDJLQLTQDGDJB-UHFFFAOYSA-N 1 2 246.274 1.148 20 30 BDEDLO CCn1c[nH+]cc1CN=Nc1cc(C)ncn1 ZINC000841626719 587961663 /nfs/dbraw/zinc/96/16/63/587961663.db2.gz SAARKRUPKSCNHS-UHFFFAOYSA-N 1 2 230.275 1.447 20 30 BDEDLO CC(C)(C=NOCCC1CC1)[NH+]1CCOCC1 ZINC000841639622 587965201 /nfs/dbraw/zinc/96/52/01/587965201.db2.gz BUQPBNNYEFPQRZ-UHFFFAOYSA-N 1 2 240.347 1.900 20 30 BDEDLO C=CCCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842658319 588049835 /nfs/dbraw/zinc/04/98/35/588049835.db2.gz QXMASRZSZNXIQR-LLVKDONJSA-N 1 2 242.319 1.647 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C=C1CCCCC1 ZINC000844528622 588200797 /nfs/dbraw/zinc/20/07/97/588200797.db2.gz KHOFFCJLPRVCKM-AWEZNQCLSA-N 1 2 249.358 1.837 20 30 BDEDLO CC/C(C)=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844528721 588200883 /nfs/dbraw/zinc/20/08/83/588200883.db2.gz XKGJXTMRJQTAJE-PMDBQALLSA-N 1 2 223.320 1.303 20 30 BDEDLO CCC(=CC(=O)N[C@](C)(C#N)C[NH+](C)C)CC ZINC000844528890 588201048 /nfs/dbraw/zinc/20/10/48/588201048.db2.gz MLDDOOWVPLWLHZ-CYBMUJFWSA-N 1 2 237.347 1.693 20 30 BDEDLO C#CCCc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000844850028 588218478 /nfs/dbraw/zinc/21/84/78/588218478.db2.gz NEVWIGRDHLIFKJ-SNVBAGLBSA-N 1 2 230.271 1.636 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)CCC)CC1 ZINC000845500039 588230823 /nfs/dbraw/zinc/23/08/23/588230823.db2.gz GJMDSXVLUADCEW-UHFFFAOYSA-N 1 2 236.359 1.590 20 30 BDEDLO C=C(C)CONC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000845610181 588235800 /nfs/dbraw/zinc/23/58/00/588235800.db2.gz FSJCCZOEKATBLH-VIFPVBQESA-N 1 2 236.275 1.135 20 30 BDEDLO C#C[C@H](CC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846009109 588253480 /nfs/dbraw/zinc/25/34/80/588253480.db2.gz ZOVBSFQOMCLPDT-LLVKDONJSA-N 1 2 245.326 1.290 20 30 BDEDLO CCN1C[C@@H](C[N@H+](C)[C@@H](C)CC#N)OC1=O ZINC000846816521 588289604 /nfs/dbraw/zinc/28/96/04/588289604.db2.gz XUOHJGALHJAZQB-VHSXEESVSA-N 1 2 225.292 1.061 20 30 BDEDLO CCN1C[C@@H](C[N@@H+](C)[C@@H](C)CC#N)OC1=O ZINC000846816521 588289605 /nfs/dbraw/zinc/28/96/05/588289605.db2.gz XUOHJGALHJAZQB-VHSXEESVSA-N 1 2 225.292 1.061 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC000847019465 588301898 /nfs/dbraw/zinc/30/18/98/588301898.db2.gz QQOHYSCXOUMBFY-LBPRGKRZSA-N 1 2 232.331 1.452 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC000847019465 588301899 /nfs/dbraw/zinc/30/18/99/588301899.db2.gz QQOHYSCXOUMBFY-LBPRGKRZSA-N 1 2 232.331 1.452 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(CCOC)no2)C1 ZINC000847022366 588303451 /nfs/dbraw/zinc/30/34/51/588303451.db2.gz HBDKDCUZCOCUDA-LLVKDONJSA-N 1 2 249.314 1.104 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(CCOC)no2)C1 ZINC000847022366 588303452 /nfs/dbraw/zinc/30/34/52/588303452.db2.gz HBDKDCUZCOCUDA-LLVKDONJSA-N 1 2 249.314 1.104 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847024909 588303481 /nfs/dbraw/zinc/30/34/81/588303481.db2.gz GSLHVBGDQWRVBV-GWCFXTLKSA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000847163494 588308230 /nfs/dbraw/zinc/30/82/30/588308230.db2.gz JOWIQNXYSROKEP-LBPRGKRZSA-N 1 2 243.310 1.689 20 30 BDEDLO FC(F)C1CC(=NNCCCn2cc[nH+]c2)C1 ZINC000848417055 588381388 /nfs/dbraw/zinc/38/13/88/588381388.db2.gz JCACOCNHBYVTPH-UHFFFAOYSA-N 1 2 242.273 1.894 20 30 BDEDLO CC1(C)COCC1=NNCCCn1cc[nH+]c1 ZINC000848416167 588381518 /nfs/dbraw/zinc/38/15/18/588381518.db2.gz BAPXAQIHGWRUDB-UHFFFAOYSA-N 1 2 236.319 1.275 20 30 BDEDLO Cc1cccnc1C=NNCCCn1cc[nH+]c1 ZINC000848418287 588381965 /nfs/dbraw/zinc/38/19/65/588381965.db2.gz KPVYZQCCBXHJIC-UHFFFAOYSA-N 1 2 243.314 1.600 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnc(Cl)n1C ZINC000848907986 588419232 /nfs/dbraw/zinc/41/92/32/588419232.db2.gz WHADPQHDKKDSDT-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848907986 588419234 /nfs/dbraw/zinc/41/92/34/588419234.db2.gz WHADPQHDKKDSDT-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851808559 588632190 /nfs/dbraw/zinc/63/21/90/588632190.db2.gz ITFQPAQUEBJDJT-VHSXEESVSA-N 1 2 212.293 1.372 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851808559 588632191 /nfs/dbraw/zinc/63/21/91/588632191.db2.gz ITFQPAQUEBJDJT-VHSXEESVSA-N 1 2 212.293 1.372 20 30 BDEDLO C#CCOCC[N@H+]1CCC[C@H]1C(F)F ZINC000851880413 588639143 /nfs/dbraw/zinc/63/91/43/588639143.db2.gz RVFBGDZETPIBKU-VIFPVBQESA-N 1 2 203.232 1.366 20 30 BDEDLO C#CCOCC[N@@H+]1CCC[C@H]1C(F)F ZINC000851880413 588639144 /nfs/dbraw/zinc/63/91/44/588639144.db2.gz RVFBGDZETPIBKU-VIFPVBQESA-N 1 2 203.232 1.366 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(C)o1 ZINC000852099742 588662598 /nfs/dbraw/zinc/66/25/98/588662598.db2.gz PKHTXDRALGEDDS-LDYMZIIASA-N 1 2 207.277 1.831 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(CCOC)no1 ZINC000852103062 588663382 /nfs/dbraw/zinc/66/33/82/588663382.db2.gz WWGKWAKKCAFPOU-GFCCVEGCSA-N 1 2 237.303 1.150 20 30 BDEDLO C=C(Br)CN(C)Cc1c[nH+]c[nH]1 ZINC000852284830 588675906 /nfs/dbraw/zinc/67/59/06/588675906.db2.gz UJYVTEMJJANNSD-UHFFFAOYSA-N 1 2 230.109 1.750 20 30 BDEDLO C=C(Br)CN(C)Cc1c[nH]c[nH+]1 ZINC000852284830 588675907 /nfs/dbraw/zinc/67/59/07/588675907.db2.gz UJYVTEMJJANNSD-UHFFFAOYSA-N 1 2 230.109 1.750 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000852319452 588677856 /nfs/dbraw/zinc/67/78/56/588677856.db2.gz NBALKNVYLSEIGX-VIFPVBQESA-N 1 2 206.249 1.195 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000852319452 588677857 /nfs/dbraw/zinc/67/78/57/588677857.db2.gz NBALKNVYLSEIGX-VIFPVBQESA-N 1 2 206.249 1.195 20 30 BDEDLO C#CC[N@@H+]1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852317326 588677904 /nfs/dbraw/zinc/67/79/04/588677904.db2.gz GJHJERVOGCAQEY-CYBMUJFWSA-N 1 2 239.290 1.377 20 30 BDEDLO C#CC[N@H+]1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852317326 588677905 /nfs/dbraw/zinc/67/79/05/588677905.db2.gz GJHJERVOGCAQEY-CYBMUJFWSA-N 1 2 239.290 1.377 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@@H]1COCCO1 ZINC000852494165 588685612 /nfs/dbraw/zinc/68/56/12/588685612.db2.gz BUCOJMUJELBASL-SECBINFHSA-N 1 2 205.685 1.086 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000852494165 588685613 /nfs/dbraw/zinc/68/56/13/588685613.db2.gz BUCOJMUJELBASL-SECBINFHSA-N 1 2 205.685 1.086 20 30 BDEDLO CC[N@H+](CCCN1CCOC1=O)[C@H](C)C#N ZINC000852642288 588693814 /nfs/dbraw/zinc/69/38/14/588693814.db2.gz ZJRAVUGQERUJDI-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO CC[N@@H+](CCCN1CCOC1=O)[C@H](C)C#N ZINC000852642288 588693815 /nfs/dbraw/zinc/69/38/15/588693815.db2.gz ZJRAVUGQERUJDI-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO Cc1[nH]c(CN2CCC(C#N)CC2)[nH+]c1C ZINC000862236919 589196488 /nfs/dbraw/zinc/19/64/88/589196488.db2.gz ROZDDDXWTXVWNL-UHFFFAOYSA-N 1 2 218.304 1.762 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cnc(C)o1)[C@H]1CCCO1 ZINC000862330766 589200993 /nfs/dbraw/zinc/20/09/93/589200993.db2.gz DJPMNFKSGCPETD-VXGBXAGGSA-N 1 2 220.272 1.253 20 30 BDEDLO CC[NH2+]Cc1noc(C(C#N)(CC)CC)n1 ZINC000863656908 589308255 /nfs/dbraw/zinc/30/82/55/589308255.db2.gz VBFMMCBTDUPCAB-UHFFFAOYSA-N 1 2 222.292 1.760 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)[C@@H]1CCCO1 ZINC000865530908 589443466 /nfs/dbraw/zinc/44/34/66/589443466.db2.gz CXWPVHMUPMKXFF-KGLIPLIRSA-N 1 2 245.326 1.488 20 30 BDEDLO C#C[C@@H](C)N(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000865731792 589458781 /nfs/dbraw/zinc/45/87/81/589458781.db2.gz ZYYLUSCHKRUCJZ-NXEZZACHSA-N 1 2 204.273 1.593 20 30 BDEDLO C#CC[C@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000865820089 589463308 /nfs/dbraw/zinc/46/33/08/589463308.db2.gz IOLBNMCSAQDHME-GFCCVEGCSA-N 1 2 233.315 1.615 20 30 BDEDLO C[C@H]([NH2+]CC1(O)CCC1)c1cccc(C#N)c1O ZINC000866261991 589483451 /nfs/dbraw/zinc/48/34/51/589483451.db2.gz CYLXBCGIPJBSGV-JTQLQIEISA-N 1 2 246.310 1.829 20 30 BDEDLO CO[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866347040 589487498 /nfs/dbraw/zinc/48/74/98/589487498.db2.gz ZGLRKDDUKOQWCK-VHSXEESVSA-N 1 2 234.299 1.949 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866391600 589489841 /nfs/dbraw/zinc/48/98/41/589489841.db2.gz LRXLJXQYTAYTKZ-CDMKHQONSA-N 1 2 237.274 1.595 20 30 BDEDLO C#CCCOC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000867723399 589532041 /nfs/dbraw/zinc/53/20/41/589532041.db2.gz GBGTXEGGMGGRKN-UHFFFAOYSA-N 1 2 235.287 1.368 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869294054 589596666 /nfs/dbraw/zinc/59/66/66/589596666.db2.gz FYOLRVUTBZMCCH-JFGNBEQYSA-N 1 2 247.298 1.153 20 30 BDEDLO N#Cc1nccn1Cc1[nH+]ccn1CC(F)F ZINC000871664103 589784850 /nfs/dbraw/zinc/78/48/50/589784850.db2.gz RHRNZAXFNDREEJ-UHFFFAOYSA-N 1 2 237.213 1.265 20 30 BDEDLO N#CCC1(CO[NH+]=C(N)COC2CCC2)CC1 ZINC000871778434 589814150 /nfs/dbraw/zinc/81/41/50/589814150.db2.gz IISJHZUUIHOJRL-UHFFFAOYSA-N 1 2 237.303 1.748 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccnn1C ZINC000871925613 589833332 /nfs/dbraw/zinc/83/33/32/589833332.db2.gz CZZCTDSPFQXXFQ-GHMZBOCLSA-N 1 2 231.303 1.514 20 30 BDEDLO C(=NOC[C@@H]1CCOC1)c1c[nH]c2nc[nH+]cc12 ZINC000872368006 589922485 /nfs/dbraw/zinc/92/24/85/589922485.db2.gz OFLMWQNGESULCL-SECBINFHSA-N 1 2 246.270 1.297 20 30 BDEDLO C(=NN[C@@H]1CCSC1)c1c[nH]c2nc[nH+]cc12 ZINC000872373639 589924538 /nfs/dbraw/zinc/92/45/38/589924538.db2.gz IDGVLACMIWLLGV-SECBINFHSA-N 1 2 247.327 1.339 20 30 BDEDLO FC1(F)CC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000872380249 589928234 /nfs/dbraw/zinc/92/82/34/589928234.db2.gz XNOGMISFNHQZGO-SSDOTTSWSA-N 1 2 200.192 1.547 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cn(C)cn1 ZINC000872386962 589930342 /nfs/dbraw/zinc/93/03/42/589930342.db2.gz AQSUILIFARWRFO-UHFFFAOYSA-N 1 2 246.318 1.021 20 30 BDEDLO Fc1cnccc1N=NCc1cn(C2CC2)c[nH+]1 ZINC000872388670 589931097 /nfs/dbraw/zinc/93/10/97/589931097.db2.gz VGIBNBBXVSKOIH-UHFFFAOYSA-N 1 2 245.261 1.620 20 30 BDEDLO c1ccc(C[N@@H+]2CCC(=NN3CCC3)C2)cc1 ZINC000872396128 589933204 /nfs/dbraw/zinc/93/32/04/589933204.db2.gz SSZXSXPGHBJRTG-UHFFFAOYSA-N 1 2 229.327 1.954 20 30 BDEDLO c1ccc(C[N@H+]2CCC(=NN3CCC3)C2)cc1 ZINC000872396128 589933205 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641176228 /nfs/dbraw/zinc/17/62/28/641176228.db2.gz DHTFABBVBFOACW-GFCCVEGCSA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1[C@H](C)C(=O)OCCC ZINC000934512455 641180567 /nfs/dbraw/zinc/18/05/67/641180567.db2.gz NIBWCUPSBDQUSO-VXGBXAGGSA-N 1 2 223.316 1.816 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1[C@H](C)C(=O)OCCC ZINC000934512455 641180572 /nfs/dbraw/zinc/18/05/72/641180572.db2.gz NIBWCUPSBDQUSO-VXGBXAGGSA-N 1 2 223.316 1.816 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001030869424 641392794 /nfs/dbraw/zinc/39/27/94/641392794.db2.gz PBAUPGSHABXKOY-CHWSQXEVSA-N 1 2 248.370 1.636 20 30 BDEDLO CC[C@H](CC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935401221 641403091 /nfs/dbraw/zinc/40/30/91/641403091.db2.gz XIVPLPDHMSBMOU-SNVBAGLBSA-N 1 2 242.282 1.985 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCC[C@H]2C)C1 ZINC001030909054 641415802 /nfs/dbraw/zinc/41/58/02/641415802.db2.gz OTXNKUIZQSQJPF-IUODEOHRSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]23C[C@H]2CCCC3)C1 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C=CC[NH+]1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC000950035271 641884360 /nfs/dbraw/zinc/88/43/60/641884360.db2.gz VUDXCUIXONQREI-AWEZNQCLSA-N 1 2 236.359 1.919 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCOC1=O ZINC000078519426 641931693 /nfs/dbraw/zinc/93/16/93/641931693.db2.gz PELMBHARBGGSHO-LBPRGKRZSA-N 1 2 230.267 1.306 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCOC1=O ZINC000078519426 641931698 /nfs/dbraw/zinc/93/16/98/641931698.db2.gz PELMBHARBGGSHO-LBPRGKRZSA-N 1 2 230.267 1.306 20 30 BDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001031520046 642259077 /nfs/dbraw/zinc/25/90/77/642259077.db2.gz OKOMUVBFCHKLCA-GZMMTYOYSA-N 1 2 242.750 1.443 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000154964609 642334037 /nfs/dbraw/zinc/33/40/37/642334037.db2.gz YDOHCGVAZCISCQ-UHFFFAOYSA-N 1 2 210.321 1.709 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000154964609 642334041 /nfs/dbraw/zinc/33/40/41/642334041.db2.gz YDOHCGVAZCISCQ-UHFFFAOYSA-N 1 2 210.321 1.709 20 30 BDEDLO 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TZCNNOGQPFRIRB-AOOOYVTPSA-N 1 2 244.285 1.503 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C1CC1 ZINC001017439848 642974098 /nfs/dbraw/zinc/97/40/98/642974098.db2.gz VFTUGZNHNVQZTD-SJOWAIJRSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C1CC1 ZINC001017439848 642974107 /nfs/dbraw/zinc/97/41/07/642974107.db2.gz VFTUGZNHNVQZTD-SJOWAIJRSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CCOc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000071029340 643095736 /nfs/dbraw/zinc/09/57/36/643095736.db2.gz GMAYFSXSISZSIZ-UHFFFAOYSA-N 1 2 241.294 1.712 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001032241909 643393334 /nfs/dbraw/zinc/39/33/34/643393334.db2.gz AFIJWLDYPOJFKZ-STQMWFEESA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001032241909 643393339 /nfs/dbraw/zinc/39/33/39/643393339.db2.gz AFIJWLDYPOJFKZ-STQMWFEESA-N 1 2 232.327 1.095 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C ZINC001032306386 643482420 /nfs/dbraw/zinc/48/24/20/643482420.db2.gz QBELLXDDPZLGLO-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C ZINC001032306386 643482423 /nfs/dbraw/zinc/48/24/23/643482423.db2.gz QBELLXDDPZLGLO-QWRGUYRKSA-N 1 2 247.298 1.068 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N[C@H](C#N)C1CCCC1 ZINC000921548753 643600601 /nfs/dbraw/zinc/60/06/01/643600601.db2.gz YDPUWTIXNTWCAK-GFCCVEGCSA-N 1 2 246.314 1.161 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](C#N)C1CCCC1 ZINC000921548754 643600873 /nfs/dbraw/zinc/60/08/73/643600873.db2.gz YDPUWTIXNTWCAK-LBPRGKRZSA-N 1 2 246.314 1.161 20 30 BDEDLO CCn1c[nH+]cc1CN[C@@H](CC#N)C(F)(F)F ZINC000922647108 644051518 /nfs/dbraw/zinc/05/15/18/644051518.db2.gz KZGGRMBZMWVXMX-VIFPVBQESA-N 1 2 246.236 1.837 20 30 BDEDLO C#CCC(CC#C)C(=O)OCc1ccc[nH+]c1N ZINC000922719632 644077060 /nfs/dbraw/zinc/07/70/60/644077060.db2.gz JPPBFFCLWRRCPE-UHFFFAOYSA-N 1 2 242.278 1.370 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000086452711 644139345 /nfs/dbraw/zinc/13/93/45/644139345.db2.gz DBGCVCFNRNJYEH-UHFFFAOYSA-N 1 2 213.240 1.836 20 30 BDEDLO N#CCC1(C[N@@H+]2CCC[C@H](C#N)C2)CC1 ZINC000088255496 644514541 /nfs/dbraw/zinc/51/45/41/644514541.db2.gz QIPJHFVKFYXPMI-LLVKDONJSA-N 1 2 203.289 1.916 20 30 BDEDLO N#CCC1(C[N@H+]2CCC[C@H](C#N)C2)CC1 ZINC000088255496 644514547 /nfs/dbraw/zinc/51/45/47/644514547.db2.gz QIPJHFVKFYXPMI-LLVKDONJSA-N 1 2 203.289 1.916 20 30 BDEDLO CCOCCCO[NH+]=C(N)Cc1cccnc1 ZINC000089506479 644555366 /nfs/dbraw/zinc/55/53/66/644555366.db2.gz UHTUCGHSDOFIAY-UHFFFAOYSA-N 1 2 237.303 1.340 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000956965404 644673467 /nfs/dbraw/zinc/67/34/67/644673467.db2.gz SLRSZBNPOXVZMB-OLZOCXBDSA-N 1 2 236.359 1.609 20 30 BDEDLO COc1ncnc(N)c1C=[NH+]NCC1CCCC1 ZINC000808005923 644868947 /nfs/dbraw/zinc/86/89/47/644868947.db2.gz LMEMEGWKDOPXJP-UHFFFAOYSA-N 1 2 249.318 1.181 20 30 BDEDLO C#CCO[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000812236139 644922791 /nfs/dbraw/zinc/92/27/91/644922791.db2.gz HYAAYARSUPFWNJ-UHFFFAOYSA-N 1 2 237.328 1.973 20 30 BDEDLO C#CC1CC[NH+](Cc2nnc(CC)[nH]2)CC1 ZINC000830345571 645121005 /nfs/dbraw/zinc/12/10/05/645121005.db2.gz JADBBSCTFQIDGM-UHFFFAOYSA-N 1 2 218.304 1.212 20 30 BDEDLO Oc1ccccc1/C=[NH+]\CC[C@@]1(O)CCOC1 ZINC000844269293 645319314 /nfs/dbraw/zinc/31/93/14/645319314.db2.gz BICUANFKXZMHGL-CKXDQPNJSA-N 1 2 235.283 1.353 20 30 BDEDLO C[C@H](c1ccnnc1)[NH+]1CCN(CCC#N)CC1 ZINC000926806405 645440067 /nfs/dbraw/zinc/44/00/67/645440067.db2.gz DFWPTHGNXNROJP-GFCCVEGCSA-N 1 2 245.330 1.069 20 30 BDEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cnnn1C ZINC000926875246 645467714 /nfs/dbraw/zinc/46/77/14/645467714.db2.gz WUWWWGQSFUBKMU-QMMMGPOBSA-N 1 2 207.281 1.015 20 30 BDEDLO C=C(C)CC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886944132 645892177 /nfs/dbraw/zinc/89/21/77/645892177.db2.gz LKXOYEUSWCGNNF-VXGBXAGGSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886944162 645892461 /nfs/dbraw/zinc/89/24/61/645892461.db2.gz LUYMSWYHXPGJJC-MNOVXSKESA-N 1 2 227.304 1.263 20 30 BDEDLO C=CCC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886944161 645892599 /nfs/dbraw/zinc/89/25/99/645892599.db2.gz LUYMSWYHXPGJJC-GHMZBOCLSA-N 1 2 227.304 1.263 20 30 BDEDLO N#Cc1cncc(C[NH+]2CCSCC2)c1 ZINC000721614873 711670896 /nfs/dbraw/zinc/67/08/96/711670896.db2.gz MXBPBYSYEFKEHZ-UHFFFAOYSA-N 1 2 219.313 1.502 20 30 BDEDLO N#CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708559317 712212909 /nfs/dbraw/zinc/21/29/09/712212909.db2.gz PSUUCVHDBFVDMO-UHFFFAOYSA-N 1 2 212.199 1.674 20 30 BDEDLO CC[N@H+](CCS(C)(=O)=O)[C@H](C)CCC#N ZINC000709995725 712238969 /nfs/dbraw/zinc/23/89/69/712238969.db2.gz IFCJFGHRCAQHKR-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)CCC#N ZINC000709995725 712238970 /nfs/dbraw/zinc/23/89/70/712238970.db2.gz IFCJFGHRCAQHKR-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CF)C1 ZINC000711454513 712303836 /nfs/dbraw/zinc/30/38/36/712303836.db2.gz WPVYFAWNSOLQHA-ZJUUUORDSA-N 1 2 215.268 1.396 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CF)C1 ZINC000711454513 712303837 /nfs/dbraw/zinc/30/38/37/712303837.db2.gz WPVYFAWNSOLQHA-ZJUUUORDSA-N 1 2 215.268 1.396 20 30 BDEDLO CC[N@H+](CCC#N)CCc1ccns1 ZINC000719855233 712388507 /nfs/dbraw/zinc/38/85/07/712388507.db2.gz KGLXQXNITOZFPM-UHFFFAOYSA-N 1 2 209.318 1.921 20 30 BDEDLO CC[N@@H+](CCC#N)CCc1ccns1 ZINC000719855233 712388510 /nfs/dbraw/zinc/38/85/10/712388510.db2.gz KGLXQXNITOZFPM-UHFFFAOYSA-N 1 2 209.318 1.921 20 30 BDEDLO C#CCC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886967308 712658624 /nfs/dbraw/zinc/65/86/24/712658624.db2.gz XDHIZMAYCULQTD-NEPJUHHUSA-N 1 2 239.315 1.100 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000932154986 712716086 /nfs/dbraw/zinc/71/60/86/712716086.db2.gz UPISPEKVXAYRLF-JTQLQIEISA-N 1 2 204.277 1.188 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000932154986 712716088 /nfs/dbraw/zinc/71/60/88/712716088.db2.gz UPISPEKVXAYRLF-JTQLQIEISA-N 1 2 204.277 1.188 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1F ZINC001038020760 712898678 /nfs/dbraw/zinc/89/86/78/712898678.db2.gz IAIPEEIZMOWGPJ-NSHDSACASA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1F ZINC001038020760 712898679 /nfs/dbraw/zinc/89/86/79/712898679.db2.gz IAIPEEIZMOWGPJ-NSHDSACASA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001038675449 710701222 /nfs/dbraw/zinc/70/12/22/710701222.db2.gz YFONCAOUUXMOQY-QWHCGFSZSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001038675449 710701224 /nfs/dbraw/zinc/70/12/24/710701224.db2.gz YFONCAOUUXMOQY-QWHCGFSZSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038763508 710706333 /nfs/dbraw/zinc/70/63/33/710706333.db2.gz WWVCXDXFMZRDMP-GFCCVEGCSA-N 1 2 245.326 1.069 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038763508 710706336 /nfs/dbraw/zinc/70/63/36/710706336.db2.gz WWVCXDXFMZRDMP-GFCCVEGCSA-N 1 2 245.326 1.069 20 30 BDEDLO CC(=O)N(C)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001042392147 710777294 /nfs/dbraw/zinc/77/72/94/710777294.db2.gz XFAPKCUZWJQWBE-UHFFFAOYSA-N 1 2 243.310 1.221 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001042681418 710796771 /nfs/dbraw/zinc/79/67/71/710796771.db2.gz SFCZMPFZIZAGFO-UHFFFAOYSA-N 1 2 236.359 1.751 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)co2)C1 ZINC001043588100 710811384 /nfs/dbraw/zinc/81/13/84/710811384.db2.gz BYGXLSMYNOZTQO-UHFFFAOYSA-N 1 2 246.310 1.368 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2C[C@@H]2C)C1 ZINC001043737587 710812680 /nfs/dbraw/zinc/81/26/80/710812680.db2.gz LAIQPSRIOOUMAO-WDEREUQCSA-N 1 2 222.332 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC001043794935 710814204 /nfs/dbraw/zinc/81/42/04/710814204.db2.gz WVTKVVLINJDUBR-UHFFFAOYSA-N 1 2 247.342 1.276 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(C)cc2)C1 ZINC001044223520 710821009 /nfs/dbraw/zinc/82/10/09/710821009.db2.gz LFQAAPFWWGKVRH-UHFFFAOYSA-N 1 2 244.338 1.937 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cnc(OC)s1 ZINC000388158066 711053695 /nfs/dbraw/zinc/05/36/95/711053695.db2.gz FIORPYLHKCFYEJ-UHFFFAOYSA-N 1 2 218.709 1.994 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038148263 710675027 /nfs/dbraw/zinc/67/50/27/710675027.db2.gz CCGZUNGQZNMIDT-LBPRGKRZSA-N 1 2 248.326 1.887 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038148263 710675029 /nfs/dbraw/zinc/67/50/29/710675029.db2.gz CCGZUNGQZNMIDT-LBPRGKRZSA-N 1 2 248.326 1.887 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038528656 710693034 /nfs/dbraw/zinc/69/30/34/710693034.db2.gz RUOBHCQQKHQPDN-YRGRVCCFSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038528656 710693036 /nfs/dbraw/zinc/69/30/36/710693036.db2.gz RUOBHCQQKHQPDN-YRGRVCCFSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038763697 710705143 /nfs/dbraw/zinc/70/51/43/710705143.db2.gz PYFHWGBUBXWLCF-NEPJUHHUSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038763697 710705148 /nfs/dbraw/zinc/70/51/48/710705148.db2.gz PYFHWGBUBXWLCF-NEPJUHHUSA-N 1 2 232.327 1.000 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001043154656 710803611 /nfs/dbraw/zinc/80/36/11/710803611.db2.gz RXDKXSQYYBVQDS-BNOWGMLFSA-N 1 2 248.370 1.751 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000383617925 710984927 /nfs/dbraw/zinc/98/49/27/710984927.db2.gz HEPSXEXSZPCQPS-WAYWQWQTSA-N 1 2 244.294 1.070 20 30 BDEDLO Cc1cn(C)nc1C[NH+]1CCC(C#N)CC1 ZINC000724004612 711554006 /nfs/dbraw/zinc/55/40/06/711554006.db2.gz WKZVPEAREBAWMN-UHFFFAOYSA-N 1 2 218.304 1.464 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1[nH]ncc1C ZINC000934520090 711591485 /nfs/dbraw/zinc/59/14/85/711591485.db2.gz XBNXPSZGSGSCFH-LLVKDONJSA-N 1 2 203.289 1.706 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1[nH]ncc1C ZINC000934520090 711591486 /nfs/dbraw/zinc/59/14/86/711591486.db2.gz XBNXPSZGSGSCFH-LLVKDONJSA-N 1 2 203.289 1.706 20 30 BDEDLO Cn1c2ccc(C[NH2+]CCC#N)cc2oc1=O ZINC000258965102 711745831 /nfs/dbraw/zinc/74/58/31/711745831.db2.gz UEESITFVNUAUFT-UHFFFAOYSA-N 1 2 231.255 1.135 20 30 BDEDLO Cc1[nH]c(CNCc2nc(C#N)cs2)[nH+]c1C ZINC000897629328 711798313 /nfs/dbraw/zinc/79/83/13/711798313.db2.gz JGZQKGYTAZBYMX-UHFFFAOYSA-N 1 2 247.327 1.645 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC001042763791 711801130 /nfs/dbraw/zinc/80/11/30/711801130.db2.gz PTEOPKYNPXJXNN-UHFFFAOYSA-N 1 2 233.315 1.347 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001030566965 711837336 /nfs/dbraw/zinc/83/73/36/711837336.db2.gz ITCNZRAWKORYOV-JHJVBQTASA-N 1 2 248.370 1.799 20 30 BDEDLO C#CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000733247418 711904004 /nfs/dbraw/zinc/90/40/04/711904004.db2.gz HYQWRRUVFFVJOU-UHFFFAOYSA-N 1 2 241.294 1.325 20 30 BDEDLO 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C#CCC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712775619 712449269 /nfs/dbraw/zinc/44/92/69/712449269.db2.gz QIXFEPKPYFCRID-VIFPVBQESA-N 1 2 221.222 1.663 20 30 BDEDLO C#CCC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712775619 712449270 /nfs/dbraw/zinc/44/92/70/712449270.db2.gz QIXFEPKPYFCRID-VIFPVBQESA-N 1 2 221.222 1.663 20 30 BDEDLO C#CC[C@H](COC)[NH2+]Cc1nnc(CC)s1 ZINC000716395813 712558048 /nfs/dbraw/zinc/55/80/48/712558048.db2.gz RSQVXPJLNFGPNI-SECBINFHSA-N 1 2 239.344 1.228 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cn(C)nn1 ZINC000720592195 712855707 /nfs/dbraw/zinc/85/57/07/712855707.db2.gz UMKNQXCSHGSTFH-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090631253 721863471 /nfs/dbraw/zinc/86/34/71/721863471.db2.gz HDYHAPKNLRQTBF-UHFFFAOYSA-N 1 2 221.279 1.529 20 30 BDEDLO C=CCC1(NC(=O)C[C@H]([NH3+])C(F)F)CCCC1 ZINC000724708244 959230586 /nfs/dbraw/zinc/23/05/86/959230586.db2.gz LOKVHXHBAWQOMP-VIFPVBQESA-N 1 2 246.301 1.974 20 30 BDEDLO 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ZINC001255179424 969996164 /nfs/dbraw/zinc/99/61/64/969996164.db2.gz PARJUKUSRVIOLV-NEPJUHHUSA-N 1 2 237.347 1.669 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001255177952 969997993 /nfs/dbraw/zinc/99/79/93/969997993.db2.gz ZCTIBIYIFICGHL-FBTJUVTCSA-N 1 2 236.315 1.420 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001255177952 969998001 /nfs/dbraw/zinc/99/80/01/969998001.db2.gz ZCTIBIYIFICGHL-FBTJUVTCSA-N 1 2 236.315 1.420 20 30 BDEDLO C[C@H]1CC(=O)C=C(Nc2cn(C)c[nH+]2)C1 ZINC001210767625 970018315 /nfs/dbraw/zinc/01/83/15/970018315.db2.gz YJVMXBOATULPOM-MRVPVSSYSA-N 1 2 205.261 1.715 20 30 BDEDLO Cc1cc(C)c(-n2cnc(C#N)c2N)c[nH+]1 ZINC001213508112 970331333 /nfs/dbraw/zinc/33/13/33/970331333.db2.gz LGKJWFWJYWRPHR-UHFFFAOYSA-N 1 2 213.244 1.338 20 30 BDEDLO C#CCN(CC#C)c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC001157560807 970440570 /nfs/dbraw/zinc/44/05/70/970440570.db2.gz HVAKAYHYCSPSCC-UHFFFAOYSA-N 1 2 238.294 1.648 20 30 BDEDLO C[C@@H](Cc1ccccc1F)N1CC[NH2+]C[C@H]1C#N ZINC001255846206 970514843 /nfs/dbraw/zinc/51/48/43/970514843.db2.gz MLUKTCOIDHNJNG-WCQYABFASA-N 1 2 247.317 1.554 20 30 BDEDLO C[C@@H](Cc1ccc(F)cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001255869255 970535106 /nfs/dbraw/zinc/53/51/06/970535106.db2.gz ZYAHTRQQUXUOSY-FZMZJTMJSA-N 1 2 247.317 1.554 20 30 BDEDLO C[C@H](CC#N)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC001327503225 972600969 /nfs/dbraw/zinc/60/09/69/972600969.db2.gz ALYKYCLLDYYKHQ-SNVBAGLBSA-N 1 2 247.298 1.741 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2COC)cc1 ZINC001144579102 972870316 /nfs/dbraw/zinc/87/03/16/972870316.db2.gz YLQUDVGOFQMZDG-OAHLLOKOSA-N 1 2 245.322 1.515 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2COC)cc1 ZINC001144579102 972870328 /nfs/dbraw/zinc/87/03/28/972870328.db2.gz YLQUDVGOFQMZDG-OAHLLOKOSA-N 1 2 245.322 1.515 20 30 BDEDLO Cc1cc(COC2CN(CCC#N)C2)cc(C)[nH+]1 ZINC001223424320 973066404 /nfs/dbraw/zinc/06/64/04/973066404.db2.gz KDALNLXKMKZVER-UHFFFAOYSA-N 1 2 245.326 1.813 20 30 BDEDLO C=CCOCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328488524 973093136 /nfs/dbraw/zinc/09/31/36/973093136.db2.gz HGRAWEZKIGSYET-LLVKDONJSA-N 1 2 237.303 1.153 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC#CC ZINC001276899631 973165196 /nfs/dbraw/zinc/16/51/96/973165196.db2.gz OPWDLJBGTCVUQQ-CYBMUJFWSA-N 1 2 248.370 1.803 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC#CC ZINC001276899631 973165212 /nfs/dbraw/zinc/16/52/12/973165212.db2.gz OPWDLJBGTCVUQQ-CYBMUJFWSA-N 1 2 248.370 1.803 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2CC=CC2)CC1 ZINC001146695742 973218640 /nfs/dbraw/zinc/21/86/40/973218640.db2.gz QQIBZNLBGDPFDO-UHFFFAOYSA-N 1 2 220.316 1.283 20 30 BDEDLO C[C@@H](CC(=O)N1CCC(C#N)CC1)n1cc[nH+]c1 ZINC001328670980 973248688 /nfs/dbraw/zinc/24/86/88/973248688.db2.gz MYUVRIJJKYRQAM-NSHDSACASA-N 1 2 246.314 1.596 20 30 BDEDLO CC#CCOC1C[NH+](Cc2ccccc2)C1 ZINC001224357604 973593792 /nfs/dbraw/zinc/59/37/92/973593792.db2.gz QJLKBQQQOCWCHS-UHFFFAOYSA-N 1 2 215.296 1.911 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCCc1[nH+]ccn1C ZINC000045136854 973867172 /nfs/dbraw/zinc/86/71/72/973867172.db2.gz UXUVENNCBIGQHP-UHFFFAOYSA-N 1 2 248.330 1.409 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225200589 974219110 /nfs/dbraw/zinc/21/91/10/974219110.db2.gz LNHVLBAKPCKAFP-LSVRBPJHSA-N 1 2 249.285 1.817 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225200589 974219123 /nfs/dbraw/zinc/21/91/23/974219123.db2.gz LNHVLBAKPCKAFP-LSVRBPJHSA-N 1 2 249.285 1.817 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172165463 974426621 /nfs/dbraw/zinc/42/66/21/974426621.db2.gz JGTVYWQSAWWRCI-SRVKXCTJSA-N 1 2 233.315 1.128 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172165463 974426624 /nfs/dbraw/zinc/42/66/24/974426624.db2.gz JGTVYWQSAWWRCI-SRVKXCTJSA-N 1 2 233.315 1.128 20 30 BDEDLO CCCC[N@H+](CC#N)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178635 974437144 /nfs/dbraw/zinc/43/71/44/974437144.db2.gz GUNFRBFQFYIRSS-STQMWFEESA-N 1 2 249.358 1.765 20 30 BDEDLO CCCC[N@@H+](CC#N)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178635 974437150 /nfs/dbraw/zinc/43/71/50/974437150.db2.gz GUNFRBFQFYIRSS-STQMWFEESA-N 1 2 249.358 1.765 20 30 BDEDLO Cc1ccn(C[N@H+](C)CCCF)c(=O)c1C#N ZINC001331081250 974589546 /nfs/dbraw/zinc/58/95/46/974589546.db2.gz SMBIWGHXVMRPQT-UHFFFAOYSA-N 1 2 237.278 1.277 20 30 BDEDLO Cc1ccn(C[N@@H+](C)CCCF)c(=O)c1C#N ZINC001331081250 974589554 /nfs/dbraw/zinc/58/95/54/974589554.db2.gz SMBIWGHXVMRPQT-UHFFFAOYSA-N 1 2 237.278 1.277 20 30 BDEDLO CC(C)OC(=O)C[NH2+][C@H](C)CCCC#N ZINC001172481750 974782233 /nfs/dbraw/zinc/78/22/33/974782233.db2.gz XKKJZMNJPMGQQS-SNVBAGLBSA-N 1 2 212.293 1.610 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001330567147 974909033 /nfs/dbraw/zinc/90/90/33/974909033.db2.gz QPDVKZWIEDCOON-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001330567147 974909038 /nfs/dbraw/zinc/90/90/38/974909038.db2.gz QPDVKZWIEDCOON-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)[C@@H](C)C#N)CC1 ZINC001172808049 974943568 /nfs/dbraw/zinc/94/35/68/974943568.db2.gz QPNGPPSFGAWKJT-QJPTWQEYSA-N 1 2 238.331 1.952 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001172808049 974943572 /nfs/dbraw/zinc/94/35/72/974943572.db2.gz QPNGPPSFGAWKJT-QJPTWQEYSA-N 1 2 238.331 1.952 20 30 BDEDLO C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001173174027 975053936 /nfs/dbraw/zinc/05/39/36/975053936.db2.gz ZSQSASSZFYUHMU-SDDRHHMPSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001173174027 975053946 /nfs/dbraw/zinc/05/39/46/975053946.db2.gz ZSQSASSZFYUHMU-SDDRHHMPSA-N 1 2 208.305 1.932 20 30 BDEDLO C=CCOC1CCC([N@H+](C)CC#N)CC1 ZINC001173327812 975277073 /nfs/dbraw/zinc/27/70/73/975277073.db2.gz SWLSBQJJTUNDQR-UHFFFAOYSA-N 1 2 208.305 1.956 20 30 BDEDLO C=CCOC1CCC([N@@H+](C)CC#N)CC1 ZINC001173327812 975277078 /nfs/dbraw/zinc/27/70/78/975277078.db2.gz SWLSBQJJTUNDQR-UHFFFAOYSA-N 1 2 208.305 1.956 20 30 BDEDLO COCc1nnc(C[NH2+]C2CCC(C#N)CC2)[nH]1 ZINC001333001294 975365412 /nfs/dbraw/zinc/36/54/12/975365412.db2.gz WHXWHXJIEXCTEW-UHFFFAOYSA-N 1 2 249.318 1.123 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173758259 975552248 /nfs/dbraw/zinc/55/22/48/975552248.db2.gz ZKSPHQZNLBBXNS-UTUOFQBUSA-N 1 2 246.318 1.145 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173758259 975552262 /nfs/dbraw/zinc/55/22/62/975552262.db2.gz ZKSPHQZNLBBXNS-UTUOFQBUSA-N 1 2 246.318 1.145 20 30 BDEDLO CC(C)(C(=O)N1CCC[C@@H](C#N)C1)c1c[nH+]c[nH]1 ZINC001333642876 975923794 /nfs/dbraw/zinc/92/37/94/975923794.db2.gz CYDCSRYRCNKSHR-JTQLQIEISA-N 1 2 246.314 1.449 20 30 BDEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001335088481 976846469 /nfs/dbraw/zinc/84/64/69/976846469.db2.gz FFRKNUYRCMTUOP-NKWVEPMBSA-N 1 2 242.229 1.789 20 30 BDEDLO C[NH+]1CC(Oc2ncnc3c(C#N)cccc23)C1 ZINC001231030694 977433261 /nfs/dbraw/zinc/43/32/61/977433261.db2.gz IPEJZYKBDVDJJA-UHFFFAOYSA-N 1 2 240.266 1.194 20 30 BDEDLO C#Cc1cc(Nc2cccc(CO)c2)cc[nH+]1 ZINC001175509461 977485634 /nfs/dbraw/zinc/48/56/34/977485634.db2.gz LEABVXPDJXWGKN-UHFFFAOYSA-N 1 2 224.263 1.721 20 30 BDEDLO Cc1cnc(NC2=CCC[N@@H+](C)C2)c(C#N)c1 ZINC001175577332 977584560 /nfs/dbraw/zinc/58/45/60/977584560.db2.gz QZRUFNKSBTZLTQ-UHFFFAOYSA-N 1 2 228.299 1.893 20 30 BDEDLO Cc1cnc(NC2=CCC[N@H+](C)C2)c(C#N)c1 ZINC001175577332 977584568 /nfs/dbraw/zinc/58/45/68/977584568.db2.gz QZRUFNKSBTZLTQ-UHFFFAOYSA-N 1 2 228.299 1.893 20 30 BDEDLO Cc1cnc(N=C2CCC[N@@H+](C)C2)c(C#N)c1 ZINC001175577332 977584575 /nfs/dbraw/zinc/58/45/75/977584575.db2.gz QZRUFNKSBTZLTQ-UHFFFAOYSA-N 1 2 228.299 1.893 20 30 BDEDLO Cc1cnc(N=C2CCC[N@H+](C)C2)c(C#N)c1 ZINC001175577332 977584583 /nfs/dbraw/zinc/58/45/83/977584583.db2.gz QZRUFNKSBTZLTQ-UHFFFAOYSA-N 1 2 228.299 1.893 20 30 BDEDLO CCc1ccc(C[NH+]2CC(CC#N)C2)nc1 ZINC001231637908 977652927 /nfs/dbraw/zinc/65/29/27/977652927.db2.gz QLKDRNRDGHRPRO-UHFFFAOYSA-N 1 2 215.300 1.989 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC001231693170 977693496 /nfs/dbraw/zinc/69/34/96/977693496.db2.gz CSCFRKWOAMYWHK-UHFFFAOYSA-N 1 2 248.326 1.177 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(COC)o2)CC1 ZINC001231693170 977693506 /nfs/dbraw/zinc/69/35/06/977693506.db2.gz CSCFRKWOAMYWHK-UHFFFAOYSA-N 1 2 248.326 1.177 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC001231906767 977792832 /nfs/dbraw/zinc/79/28/32/977792832.db2.gz HIDDOVNTQKJNJH-LLVKDONJSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC001231906767 977792853 /nfs/dbraw/zinc/79/28/53/977792853.db2.gz HIDDOVNTQKJNJH-LLVKDONJSA-N 1 2 226.283 1.908 20 30 BDEDLO COc1cnc(C[NH+]2CCC(C#N)CC2)cn1 ZINC001231933144 977803630 /nfs/dbraw/zinc/80/36/30/977803630.db2.gz DBXGYDGMXZPCRM-UHFFFAOYSA-N 1 2 232.287 1.221 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ncccc2Cl)CC1 ZINC001231958987 977810603 /nfs/dbraw/zinc/81/06/03/977810603.db2.gz KWEULWSWDZHUFA-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO COc1cc[nH+]cc1Nc1cncc(C#N)n1 ZINC001176116858 977944764 /nfs/dbraw/zinc/94/47/64/977944764.db2.gz NLLKJNRSFORBNR-UHFFFAOYSA-N 1 2 227.227 1.495 20 30 BDEDLO Cc1[nH+]c(N)ccc1CN1CCCC[C@@H]1C#N ZINC001232341297 978021380 /nfs/dbraw/zinc/02/13/80/978021380.db2.gz QRFHVIAUFGOJGV-GFCCVEGCSA-N 1 2 230.315 1.850 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001277666315 978077819 /nfs/dbraw/zinc/07/78/19/978077819.db2.gz NYTBXFPGOJFPGS-NSHDSACASA-N 1 2 224.348 1.607 20 30 BDEDLO C[N@H+](Cc1ccncc1)Cc1cc(C#N)ccn1 ZINC001232474636 978122927 /nfs/dbraw/zinc/12/29/27/978122927.db2.gz HGCJHRCFJXEXSC-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1ccncc1)Cc1cc(C#N)ccn1 ZINC001232474636 978122933 /nfs/dbraw/zinc/12/29/33/978122933.db2.gz HGCJHRCFJXEXSC-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@H+](Cc1ccccn1)Cc1cc(C#N)ccn1 ZINC001232476359 978129598 /nfs/dbraw/zinc/12/95/98/978129598.db2.gz ZTKWEQXTRTYNQS-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccn1 ZINC001232476359 978129603 /nfs/dbraw/zinc/12/96/03/978129603.db2.gz ZTKWEQXTRTYNQS-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@H](O)C2)c1 ZINC001232673438 978232925 /nfs/dbraw/zinc/23/29/25/978232925.db2.gz GMGJTLHNMWEXFF-CYBMUJFWSA-N 1 2 246.310 1.611 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H](O)C2)c1 ZINC001232673438 978232932 /nfs/dbraw/zinc/23/29/32/978232932.db2.gz GMGJTLHNMWEXFF-CYBMUJFWSA-N 1 2 246.310 1.611 20 30 BDEDLO COCC1C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232673431 978235302 /nfs/dbraw/zinc/23/53/02/978235302.db2.gz GFXXTZIQLQMBGZ-UHFFFAOYSA-N 1 2 232.283 1.342 20 30 BDEDLO CC[N@H+](Cc1cc(C#N)ccc1O)C1CN(C)C1 ZINC001232678338 978239574 /nfs/dbraw/zinc/23/95/74/978239574.db2.gz VSEVIOURJQFKAR-UHFFFAOYSA-N 1 2 245.326 1.400 20 30 BDEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)C1CN(C)C1 ZINC001232678338 978239581 /nfs/dbraw/zinc/23/95/81/978239581.db2.gz VSEVIOURJQFKAR-UHFFFAOYSA-N 1 2 245.326 1.400 20 30 BDEDLO COC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232681612 978248156 /nfs/dbraw/zinc/24/81/56/978248156.db2.gz TWLRLFHGNGLZLK-LBPRGKRZSA-N 1 2 232.283 1.485 20 30 BDEDLO COC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232681612 978248165 /nfs/dbraw/zinc/24/81/65/978248165.db2.gz TWLRLFHGNGLZLK-LBPRGKRZSA-N 1 2 232.283 1.485 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(C#N)n1 ZINC001232922054 978337358 /nfs/dbraw/zinc/33/73/58/978337358.db2.gz MCDOEWYDPVYMOP-ZJUUUORDSA-N 1 2 219.263 1.886 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(C#N)n1 ZINC001232922054 978337362 /nfs/dbraw/zinc/33/73/62/978337362.db2.gz MCDOEWYDPVYMOP-ZJUUUORDSA-N 1 2 219.263 1.886 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cnc(C)cc2C)CC1 ZINC001233010172 978408524 /nfs/dbraw/zinc/40/85/24/978408524.db2.gz RQBFNMPQCXTYMA-UHFFFAOYSA-N 1 2 243.354 1.449 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001233045134 978427945 /nfs/dbraw/zinc/42/79/45/978427945.db2.gz AUZKCEPKQOLQGG-ZYHUDNBSSA-N 1 2 237.278 1.181 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001233045134 978427950 /nfs/dbraw/zinc/42/79/50/978427950.db2.gz AUZKCEPKQOLQGG-ZYHUDNBSSA-N 1 2 237.278 1.181 20 30 BDEDLO CCO[C@@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047574 978436608 /nfs/dbraw/zinc/43/66/08/978436608.db2.gz CWKACKJMIMMKJA-LLVKDONJSA-N 1 2 219.288 1.497 20 30 BDEDLO CCO[C@@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047574 978436612 /nfs/dbraw/zinc/43/66/12/978436612.db2.gz CWKACKJMIMMKJA-LLVKDONJSA-N 1 2 219.288 1.497 20 30 BDEDLO Cc1c[nH]c(Nc2nccnc2C#N)[nH+]1 ZINC001337636022 978438302 /nfs/dbraw/zinc/43/83/02/978438302.db2.gz BHLUORZALHYCMI-UHFFFAOYSA-N 1 2 200.205 1.123 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(O)c2F)CC1 ZINC001233056793 978453203 /nfs/dbraw/zinc/45/32/03/978453203.db2.gz ICFCYJPINBJRFF-UHFFFAOYSA-N 1 2 248.301 1.282 20 30 BDEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(CCO2)C1 ZINC001233082457 978463916 /nfs/dbraw/zinc/46/39/16/978463916.db2.gz CMQIQZKXCXUWRF-UHFFFAOYSA-N 1 2 228.295 1.841 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(C)c(C)c1 ZINC001233163203 978481227 /nfs/dbraw/zinc/48/12/27/978481227.db2.gz UBOWWKHMJXELDZ-UHFFFAOYSA-N 1 2 212.296 1.767 20 30 BDEDLO N#C[C@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC001233363634 978575889 /nfs/dbraw/zinc/57/58/89/978575889.db2.gz RHNIIKLIGIJPKH-LLVKDONJSA-N 1 2 226.283 1.680 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486033 978613662 /nfs/dbraw/zinc/61/36/62/978613662.db2.gz VKGAENSMWPNJFM-QMMMGPOBSA-N 1 2 234.255 1.149 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486033 978613673 /nfs/dbraw/zinc/61/36/73/978613673.db2.gz VKGAENSMWPNJFM-QMMMGPOBSA-N 1 2 234.255 1.149 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1ccnn1-c1ccccn1 ZINC001179479492 978710328 /nfs/dbraw/zinc/71/03/28/978710328.db2.gz NGUJBUWLXYPQMW-NSHDSACASA-N 1 2 241.298 1.659 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602803920 979245502 /nfs/dbraw/zinc/24/55/02/979245502.db2.gz INPJAVPURHTKCT-MNOVXSKESA-N 1 2 249.314 1.239 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602803920 979245520 /nfs/dbraw/zinc/24/55/20/979245520.db2.gz INPJAVPURHTKCT-MNOVXSKESA-N 1 2 249.314 1.239 20 30 BDEDLO CN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CCC[C@H]1C#N ZINC001342285394 979753452 /nfs/dbraw/zinc/75/34/52/979753452.db2.gz QFZNCNBTBAYNMX-XHNCKOQMSA-N 1 2 245.273 1.120 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCOCC1)c1cnccn1 ZINC001184277734 980008723 /nfs/dbraw/zinc/00/87/23/980008723.db2.gz NBGSXAYYNLOKBF-LLVKDONJSA-N 1 2 246.314 1.448 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC001186969955 980462532 /nfs/dbraw/zinc/46/25/32/980462532.db2.gz FBFDNLWVNDAAMC-RKDXNWHRSA-N 1 2 226.239 1.432 20 30 BDEDLO CCNc1ccc(Nc2cncc(C#N)n2)c[nH+]1 ZINC001187921216 980572683 /nfs/dbraw/zinc/57/26/83/980572683.db2.gz QQBLOWYEBIUABT-UHFFFAOYSA-N 1 2 240.270 1.919 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001346777390 980904716 /nfs/dbraw/zinc/90/47/16/980904716.db2.gz FNPAVGXDPJYOSE-SNVBAGLBSA-N 1 2 246.314 1.286 20 30 BDEDLO N#Cc1cncnc1-c1ccc2[nH+]ccn2c1 ZINC001240215438 981163802 /nfs/dbraw/zinc/16/38/02/981163802.db2.gz WSUURLKALNYBFH-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#Cc1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240214900 981164577 /nfs/dbraw/zinc/16/45/77/981164577.db2.gz MAYUKGZCFCXWBH-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#Cc1ncc(-c2ccc3[nH+]ccn3c2)nc1C#N ZINC001240216881 981167045 /nfs/dbraw/zinc/16/70/45/981167045.db2.gz QCUSAJNVHIIBBN-UHFFFAOYSA-N 1 2 246.233 1.535 20 30 BDEDLO C#CCC1(NC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001348429088 981362144 /nfs/dbraw/zinc/36/21/44/981362144.db2.gz HXMMNKQVSWESKX-UHFFFAOYSA-N 1 2 245.326 1.415 20 30 BDEDLO C[C@H](CCc1ccccc1)[NH+]1CC(O)(CC#N)C1 ZINC001193704555 981425642 /nfs/dbraw/zinc/42/56/42/981425642.db2.gz VRSJWQRKEGBSKD-CYBMUJFWSA-N 1 2 244.338 1.968 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OCCC)CC1 ZINC001194106168 981577209 /nfs/dbraw/zinc/57/72/09/981577209.db2.gz BUTHUGGPBBLVAW-UHFFFAOYSA-N 1 2 212.293 1.337 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC001588349165 982140992 /nfs/dbraw/zinc/14/09/92/982140992.db2.gz GEDYVGLMQVEKOQ-UHFFFAOYSA-N 1 2 245.261 1.071 20 30 BDEDLO C#CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC001588349165 982140998 /nfs/dbraw/zinc/14/09/98/982140998.db2.gz GEDYVGLMQVEKOQ-UHFFFAOYSA-N 1 2 245.261 1.071 20 30 BDEDLO C#C[C@@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC001352021896 982437577 /nfs/dbraw/zinc/43/75/77/982437577.db2.gz IWZFTLZJDKCHIU-JTQLQIEISA-N 1 2 219.288 1.007 20 30 BDEDLO CSc1ncc(C#N)c(C2=CCC[N@H+](C)C2)n1 ZINC001241566011 982810521 /nfs/dbraw/zinc/81/05/21/982810521.db2.gz RTZUFSUWICOOOC-UHFFFAOYSA-N 1 2 246.339 1.789 20 30 BDEDLO CSc1ncc(C#N)c(C2=CCC[N@@H+](C)C2)n1 ZINC001241566011 982810522 /nfs/dbraw/zinc/81/05/22/982810522.db2.gz RTZUFSUWICOOOC-UHFFFAOYSA-N 1 2 246.339 1.789 20 30 BDEDLO N#Cc1cc(O)ccc1Nc1ccc(N)[nH+]c1 ZINC001201292921 983173925 /nfs/dbraw/zinc/17/39/25/983173925.db2.gz USUBQUWACKWYOO-UHFFFAOYSA-N 1 2 226.239 1.985 20 30 BDEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001488649308 983689580 /nfs/dbraw/zinc/68/95/80/983689580.db2.gz ZSEKEDLWJOPQLB-NSHDSACASA-N 1 2 242.338 1.701 20 30 BDEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001488649308 983689587 /nfs/dbraw/zinc/68/95/87/983689587.db2.gz ZSEKEDLWJOPQLB-NSHDSACASA-N 1 2 242.338 1.701 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](COCC)C(C)C)C(=O)OC ZINC000878598113 983965897 /nfs/dbraw/zinc/96/58/97/983965897.db2.gz XIEPHIMBMMJWRG-RYUDHWBXSA-N 1 2 243.347 1.755 20 30 BDEDLO C=CC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C(=O)[O-] ZINC001588749650 984067396 /nfs/dbraw/zinc/06/73/96/984067396.db2.gz NZTLGIHSBNONGG-LBPRGKRZSA-N 1 2 249.314 1.267 20 30 BDEDLO C=CCNC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001202578004 984085672 /nfs/dbraw/zinc/08/56/72/984085672.db2.gz MYMIADPMUBFADW-UHFFFAOYSA-N 1 2 248.330 1.668 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001253567291 984239181 /nfs/dbraw/zinc/23/91/81/984239181.db2.gz MLZYFHAQYQHJSU-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001253567291 984239187 /nfs/dbraw/zinc/23/91/87/984239187.db2.gz MLZYFHAQYQHJSU-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO CC(C)N(CCC#N)C(=O)Cc1c[nH+]cn1C ZINC001442584205 984503914 /nfs/dbraw/zinc/50/39/14/984503914.db2.gz PUVMZYHKGNXUOF-UHFFFAOYSA-N 1 2 234.303 1.113 20 30 BDEDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C#N)ccc1C ZINC001445215564 984587330 /nfs/dbraw/zinc/58/73/30/984587330.db2.gz OOQGYSFFNPMODU-ZDUSSCGKSA-N 1 2 243.310 1.899 20 30 BDEDLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C#N)ccc1C ZINC001445215564 984587346 /nfs/dbraw/zinc/58/73/46/984587346.db2.gz OOQGYSFFNPMODU-ZDUSSCGKSA-N 1 2 243.310 1.899 20 30 BDEDLO CCc1[nH]c(CNC(=O)[C@@H](C)CC#N)c[nH+]1 ZINC001456146482 985116484 /nfs/dbraw/zinc/11/64/84/985116484.db2.gz YJJQYVVYDRXDGA-QMMMGPOBSA-N 1 2 220.276 1.138 20 30 BDEDLO CCc1[nH]cc(CNC(=O)[C@@H](C)CC#N)[nH+]1 ZINC001456146482 985116492 /nfs/dbraw/zinc/11/64/92/985116492.db2.gz YJJQYVVYDRXDGA-QMMMGPOBSA-N 1 2 220.276 1.138 20 30 BDEDLO COc1cc(C#N)nc(C2=C[NH2+]CCC2)c1 ZINC001243947328 985622942 /nfs/dbraw/zinc/62/29/42/985622942.db2.gz HFNMESFQCUHSRA-UHFFFAOYSA-N 1 2 215.256 1.686 20 30 BDEDLO C=C/C(=[NH+]\COC)c1ccc(N)c(C#N)c1 ZINC001244111973 985821881 /nfs/dbraw/zinc/82/18/81/985821881.db2.gz GSBWVOQRXSYLTH-NTCAYCPXSA-N 1 2 215.256 1.719 20 30 BDEDLO COc1cccc(CN2CC[NH2+]C[C@@H]2C#N)c1C ZINC001579277630 985829649 /nfs/dbraw/zinc/82/96/49/985829649.db2.gz IEVIMUUCLDPJCK-ZDUSSCGKSA-N 1 2 245.326 1.301 20 30 BDEDLO C#CC1(O)C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001460900098 985940145 /nfs/dbraw/zinc/94/01/45/985940145.db2.gz HFCBPWKPIFZAAZ-AWEZNQCLSA-N 1 2 227.307 1.744 20 30 BDEDLO C=C[C@@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC001253572591 986096996 /nfs/dbraw/zinc/09/69/96/986096996.db2.gz MVCLKFUFFZJFMD-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO C=C[C@@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC001253572591 986097010 /nfs/dbraw/zinc/09/70/10/986097010.db2.gz MVCLKFUFFZJFMD-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462076579 986278017 /nfs/dbraw/zinc/27/80/17/986278017.db2.gz SUTRYCTTWNRXFH-ZETCQYMHSA-N 1 2 226.226 1.920 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C)o2)C1 ZINC001042628687 986331888 /nfs/dbraw/zinc/33/18/88/986331888.db2.gz LYYSJLHHYXFRIS-UHFFFAOYSA-N 1 2 248.326 1.459 20 30 BDEDLO CC#CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000801164290 986352909 /nfs/dbraw/zinc/35/29/09/986352909.db2.gz HXTDJGXLHLLXMZ-UHFFFAOYSA-N 1 2 241.294 1.325 20 30 BDEDLO Cc1c(CN2CC[C@@H](C#N)C2)[nH+]c2ccccn12 ZINC001137273752 986712534 /nfs/dbraw/zinc/71/25/34/986712534.db2.gz RAZLDXSZIFLTEF-LBPRGKRZSA-N 1 2 240.310 1.988 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001468233564 986891623 /nfs/dbraw/zinc/89/16/23/986891623.db2.gz VUTFTRRHRFVLKN-MNOVXSKESA-N 1 2 249.314 1.192 20 30 BDEDLO C#CC1(O)C[NH+](CCCc2ccccc2C)C1 ZINC001308136277 987051193 /nfs/dbraw/zinc/05/11/93/987051193.db2.gz TVHJMWAYTKLPET-UHFFFAOYSA-N 1 2 229.323 1.608 20 30 BDEDLO N#Cc1ccc(F)cc1N1CCc2[nH+]c[nH]c2C1 ZINC001472799417 987285786 /nfs/dbraw/zinc/28/57/86/987285786.db2.gz TUVHABZQNMUHKE-UHFFFAOYSA-N 1 2 242.257 1.983 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](C)OC ZINC001480848210 988055418 /nfs/dbraw/zinc/05/54/18/988055418.db2.gz LCDXXYLYOSJWII-JTQLQIEISA-N 1 2 248.754 1.212 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](C)OC ZINC001480848210 988055440 /nfs/dbraw/zinc/05/54/40/988055440.db2.gz LCDXXYLYOSJWII-JTQLQIEISA-N 1 2 248.754 1.212 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001494405025 988144842 /nfs/dbraw/zinc/14/48/42/988144842.db2.gz AMGWDBAKHZSISN-LLVKDONJSA-N 1 2 236.359 1.492 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001323731483 988597689 /nfs/dbraw/zinc/59/76/89/988597689.db2.gz WIXAPKYFPSHKMJ-NSHDSACASA-N 1 2 249.314 1.724 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001323731483 988597719 /nfs/dbraw/zinc/59/77/19/988597719.db2.gz WIXAPKYFPSHKMJ-NSHDSACASA-N 1 2 249.314 1.724 20 30 BDEDLO C=CCCNC(=S)Nc1cc[nH+]c(CC)c1 ZINC001247600312 988942999 /nfs/dbraw/zinc/94/29/99/988942999.db2.gz MKEXXEONCSMPSN-UHFFFAOYSA-N 1 2 235.356 1.928 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ocnc1C)[C@@H]1CCCO1 ZINC001119445910 989084146 /nfs/dbraw/zinc/08/41/46/989084146.db2.gz RLPKGFQYHQBDEE-QWRGUYRKSA-N 1 2 220.272 1.253 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248823731 989185067 /nfs/dbraw/zinc/18/50/67/989185067.db2.gz JQQVUBWUBPZUKB-NSHDSACASA-N 1 2 215.300 1.780 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001248823731 989185075 /nfs/dbraw/zinc/18/50/75/989185075.db2.gz JQQVUBWUBPZUKB-NSHDSACASA-N 1 2 215.300 1.780 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccc3n2CCC3)CC1 ZINC001248823057 989186529 /nfs/dbraw/zinc/18/65/29/989186529.db2.gz IQIYZTHZPHIYTN-UHFFFAOYSA-N 1 2 245.370 1.738 20 30 BDEDLO C#CCCCC(=O)OCCCc1c[nH+]cn1C ZINC001519077679 989379471 /nfs/dbraw/zinc/37/94/71/989379471.db2.gz ZAZQOIWZOVYEHJ-UHFFFAOYSA-N 1 2 234.299 1.699 20 30 BDEDLO CCn1c[nH+]c2c1CCN(CC1(C#N)CC1)C2 ZINC001119936375 989492433 /nfs/dbraw/zinc/49/24/33/989492433.db2.gz ODOLBEPSWFBPGC-UHFFFAOYSA-N 1 2 230.315 1.565 20 30 BDEDLO C#CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001520264870 989535936 /nfs/dbraw/zinc/53/59/36/989535936.db2.gz QIFDPMZTZWQABM-UHFFFAOYSA-N 1 2 245.326 1.225 20 30 BDEDLO C=C[C@H](CC)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001120008508 989562896 /nfs/dbraw/zinc/56/28/96/989562896.db2.gz TVYZZUNEEUVHSU-VXGBXAGGSA-N 1 2 235.331 1.990 20 30 BDEDLO CN(C)c1cc(N2CCC(C)(C#N)CC2)nc[nH+]1 ZINC001120034791 989570962 /nfs/dbraw/zinc/57/09/62/989570962.db2.gz JEGRMEVQLOOSKF-UHFFFAOYSA-N 1 2 245.330 1.673 20 30 BDEDLO CN(C)c1cc(N2CCC(C)(C#N)CC2)[nH+]cn1 ZINC001120034791 989570967 /nfs/dbraw/zinc/57/09/67/989570967.db2.gz JEGRMEVQLOOSKF-UHFFFAOYSA-N 1 2 245.330 1.673 20 30 BDEDLO C=C(CC(C)C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001520792594 989608412 /nfs/dbraw/zinc/60/84/12/989608412.db2.gz BNSJSDAAKYPLPD-GFCCVEGCSA-N 1 2 235.331 1.990 20 30 BDEDLO N#CCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001326655503 989639050 /nfs/dbraw/zinc/63/90/50/989639050.db2.gz AAOUQUCWJSSIQZ-NSHDSACASA-N 1 2 246.314 1.256 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001521727270 989787007 /nfs/dbraw/zinc/78/70/07/989787007.db2.gz PTFLOSASQVORSC-GFCCVEGCSA-N 1 2 245.326 1.225 20 30 BDEDLO C=C(C)CCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001120637477 989805382 /nfs/dbraw/zinc/80/53/82/989805382.db2.gz OQFUIFOKIJSECN-NSHDSACASA-N 1 2 233.315 1.670 20 30 BDEDLO C=C[C@@H]1CCCCN1c1cc(N)nc[nH+]1 ZINC001120843152 989917675 /nfs/dbraw/zinc/91/76/75/989917675.db2.gz ZTSXSNANTHMGIN-SECBINFHSA-N 1 2 204.277 1.604 20 30 BDEDLO C=CCCOCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001524619822 990000995 /nfs/dbraw/zinc/00/09/95/990000995.db2.gz UOKRLFOAURESND-UHFFFAOYSA-N 1 2 245.282 1.866 20 30 BDEDLO C#CCSCC(=O)Nc1c(C)c[nH+]cc1C ZINC001121140028 990023767 /nfs/dbraw/zinc/02/37/67/990023767.db2.gz ORYPYWZBROPWGU-UHFFFAOYSA-N 1 2 234.324 1.425 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001123925632 990705804 /nfs/dbraw/zinc/70/58/04/990705804.db2.gz PNTAYSIXAPFFCU-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(C#N)CC1 ZINC001544403856 990723036 /nfs/dbraw/zinc/72/30/36/990723036.db2.gz QXYSFUSSKFSHRA-UHFFFAOYSA-N 1 2 246.314 1.115 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829735669 990866778 /nfs/dbraw/zinc/86/67/78/990866778.db2.gz GVGBRYKDFRONAK-QMMMGPOBSA-N 1 2 220.276 1.007 20 30 BDEDLO CC(C)c1[nH]cc(CNC(=O)[C@H](C)C#N)[nH+]1 ZINC001558560562 990969032 /nfs/dbraw/zinc/96/90/32/990969032.db2.gz HYWSLMSDJGFHDC-MRVPVSSYSA-N 1 2 220.276 1.309 20 30 BDEDLO CC(C)c1[nH]c(CNC(=O)[C@H](C)C#N)c[nH+]1 ZINC001558560562 990969041 /nfs/dbraw/zinc/96/90/41/990969041.db2.gz HYWSLMSDJGFHDC-MRVPVSSYSA-N 1 2 220.276 1.309 20 30 BDEDLO 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CC#CC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268468412 398141168 /nfs/dbraw/zinc/14/11/68/398141168.db2.gz LWPJYYHWWTUZMV-LLVKDONJSA-N 1 2 218.304 1.316 20 30 BDEDLO CCc1c[nH]c(CC(=O)NCC(C)(C)C#N)[nH+]1 ZINC000602129065 349457349 /nfs/dbraw/zinc/45/73/49/349457349.db2.gz BXSFMVSFBKKHMU-UHFFFAOYSA-N 1 2 234.303 1.181 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000159431325 136214385 /nfs/dbraw/zinc/21/43/85/136214385.db2.gz RPAWYZMAEMCJBG-LLVKDONJSA-N 1 2 203.289 1.612 20 30 BDEDLO CC#CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000159431325 136214386 /nfs/dbraw/zinc/21/43/86/136214386.db2.gz RPAWYZMAEMCJBG-LLVKDONJSA-N 1 2 203.289 1.612 20 30 BDEDLO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)n(C)n1 ZINC000352882013 178028472 /nfs/dbraw/zinc/02/84/72/178028472.db2.gz BXRGVPJQQMIXFV-UHFFFAOYSA-N 1 2 247.327 1.347 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2NCCCCC#N ZINC000171609863 136215915 /nfs/dbraw/zinc/21/59/15/136215915.db2.gz SEDVGNPLWCSTQB-UHFFFAOYSA-N 1 2 230.275 1.469 20 30 BDEDLO 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ZINC000602672987 349666736 /nfs/dbraw/zinc/66/67/36/349666736.db2.gz UBVCLSUONICQTM-GFCCVEGCSA-N 1 2 224.304 1.194 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@]1(OC)CCOC1 ZINC000602672987 349666737 /nfs/dbraw/zinc/66/67/37/349666737.db2.gz UBVCLSUONICQTM-GFCCVEGCSA-N 1 2 224.304 1.194 20 30 BDEDLO CCS(=O)(=O)C1C[NH+](C[C@H](C)CCC#N)C1 ZINC000602683195 349675487 /nfs/dbraw/zinc/67/54/87/349675487.db2.gz QHNULMICXHUTGF-SNVBAGLBSA-N 1 2 244.360 1.045 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OCC ZINC000602679141 349671883 /nfs/dbraw/zinc/67/18/83/349671883.db2.gz CDMMPZCOXRFJRM-WOPDTQHZSA-N 1 2 243.347 1.897 20 30 BDEDLO COc1ncc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000602697035 349693230 /nfs/dbraw/zinc/69/32/30/349693230.db2.gz SQVSIXFQNWNHIT-UHFFFAOYSA-N 1 2 237.328 1.935 20 30 BDEDLO Cc1cc(C#N)cc(NCCc2cn(C)c[nH+]2)n1 ZINC000313486094 259335694 /nfs/dbraw/zinc/33/56/94/259335694.db2.gz PVLKSGVVRBRRJT-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000602735152 349719651 /nfs/dbraw/zinc/71/96/51/349719651.db2.gz SWZAKHAQOMMLFN-UWVGGRQHSA-N 1 2 229.345 1.589 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000602735658 349720935 /nfs/dbraw/zinc/72/09/35/349720935.db2.gz YWBMZMOPTBPOGW-WDEREUQCSA-N 1 2 243.372 1.979 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)CC1(CC#N)CC1 ZINC000602796201 349737484 /nfs/dbraw/zinc/73/74/84/349737484.db2.gz DMZZDZIQJQHGES-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)CC1(CC#N)CC1 ZINC000602796201 349737489 /nfs/dbraw/zinc/73/74/89/349737489.db2.gz DMZZDZIQJQHGES-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)CC1(CC#N)CC1 ZINC000602796201 349737491 /nfs/dbraw/zinc/73/74/91/349737491.db2.gz DMZZDZIQJQHGES-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO N#CCC1(C[NH+]2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000602797475 349738483 /nfs/dbraw/zinc/73/84/83/349738483.db2.gz BXCXZKRVPQKNOI-CYBMUJFWSA-N 1 2 249.358 1.087 20 30 BDEDLO COC(=O)[C@](C)([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000602799354 349740115 /nfs/dbraw/zinc/74/01/15/349740115.db2.gz NWHDPSOMOPWZEJ-GFCCVEGCSA-N 1 2 236.315 1.612 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCOC1 ZINC000329738059 136261405 /nfs/dbraw/zinc/26/14/05/136261405.db2.gz UATIBESLTUJHRP-DTWKUNHWSA-N 1 2 235.287 1.260 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCOC1 ZINC000329738059 136261406 /nfs/dbraw/zinc/26/14/06/136261406.db2.gz UATIBESLTUJHRP-DTWKUNHWSA-N 1 2 235.287 1.260 20 30 BDEDLO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)CC[S@]1=O ZINC000602818188 349759139 /nfs/dbraw/zinc/75/91/39/349759139.db2.gz CERKHYQUYRVFMM-BDJLRTHQSA-N 1 2 240.372 1.523 20 30 BDEDLO C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)CC[S@]1=O ZINC000602818188 349759141 /nfs/dbraw/zinc/75/91/41/349759141.db2.gz CERKHYQUYRVFMM-BDJLRTHQSA-N 1 2 240.372 1.523 20 30 BDEDLO N#Cc1ccc(CNc2c[nH]c[nH+]2)s1 ZINC000306785707 323032037 /nfs/dbraw/zinc/03/20/37/323032037.db2.gz JYUOKPSGTBKSGR-UHFFFAOYSA-N 1 2 204.258 1.955 20 30 BDEDLO COCC1(C#N)CCN(c2cccc[nH+]2)CC1 ZINC000343144830 536802049 /nfs/dbraw/zinc/80/20/49/536802049.db2.gz AYNDRIHVWJGWQK-UHFFFAOYSA-N 1 2 231.299 1.838 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CCC#N)oc1C ZINC000034994162 358452267 /nfs/dbraw/zinc/45/22/67/358452267.db2.gz YJULAFZIPGQSEQ-UHFFFAOYSA-N 1 2 222.244 1.378 20 30 BDEDLO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602864348 349796190 /nfs/dbraw/zinc/79/61/90/349796190.db2.gz RECDWGSJEYXBFJ-VHSXEESVSA-N 1 2 211.309 1.039 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602865127 349796904 /nfs/dbraw/zinc/79/69/04/349796904.db2.gz WKCYJGDPBCPRLZ-RYUDHWBXSA-N 1 2 235.331 1.467 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000344110294 136271558 /nfs/dbraw/zinc/27/15/58/136271558.db2.gz NHOYTHGYYXZOCV-MRVPVSSYSA-N 1 2 218.260 1.246 20 30 BDEDLO C#CC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000393608871 259354239 /nfs/dbraw/zinc/35/42/39/259354239.db2.gz KUWVSEBJIZNLHD-NSHDSACASA-N 1 2 205.261 1.226 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000602870057 349800777 /nfs/dbraw/zinc/80/07/77/349800777.db2.gz SDESAJZSYXDWNI-SNVBAGLBSA-N 1 2 242.282 1.389 20 30 BDEDLO CCOC(=O)c1ccc(C[NH2+][C@@H](C)CC#N)nc1 ZINC000602870534 349801602 /nfs/dbraw/zinc/80/16/02/349801602.db2.gz MSXSHCRJWMAFAD-JTQLQIEISA-N 1 2 247.298 1.650 20 30 BDEDLO C=CCOCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000339016973 136280151 /nfs/dbraw/zinc/28/01/51/136280151.db2.gz LLCLMGPDVVZESE-ZDUSSCGKSA-N 1 2 237.299 1.856 20 30 BDEDLO C=CCOCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000339016973 136280152 /nfs/dbraw/zinc/28/01/52/136280152.db2.gz LLCLMGPDVVZESE-ZDUSSCGKSA-N 1 2 237.299 1.856 20 30 BDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(N)=O ZINC000298248674 343265681 /nfs/dbraw/zinc/26/56/81/343265681.db2.gz SZXFYFOPVCMOKA-JTQLQIEISA-N 1 2 236.290 1.688 20 30 BDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(N)=O ZINC000298248674 343265682 /nfs/dbraw/zinc/26/56/82/343265682.db2.gz SZXFYFOPVCMOKA-JTQLQIEISA-N 1 2 236.290 1.688 20 30 BDEDLO C[C@H](CC#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609169644 343325249 /nfs/dbraw/zinc/32/52/49/343325249.db2.gz FKQCTNWZCABSFR-SNVBAGLBSA-N 1 2 220.276 1.082 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCC2CC2)nn1 ZINC000641066306 362174958 /nfs/dbraw/zinc/17/49/58/362174958.db2.gz YIFXELAGPJJYGY-UHFFFAOYSA-N 1 2 218.304 1.191 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CCS1 ZINC000335675113 136318223 /nfs/dbraw/zinc/31/82/23/136318223.db2.gz JKAVQWMNHIVADF-MRVPVSSYSA-N 1 2 239.369 1.952 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CCS1 ZINC000335675113 136318224 /nfs/dbraw/zinc/31/82/24/136318224.db2.gz JKAVQWMNHIVADF-MRVPVSSYSA-N 1 2 239.369 1.952 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC1CCCCC1 ZINC000299219988 343398586 /nfs/dbraw/zinc/39/85/86/343398586.db2.gz IIECGULWWARODX-CYBMUJFWSA-N 1 2 246.354 1.392 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2(C)CCC2)nn1 ZINC000641089210 362212842 /nfs/dbraw/zinc/21/28/42/362212842.db2.gz ZDKKULCSHQUHKP-UHFFFAOYSA-N 1 2 232.331 1.581 20 30 BDEDLO C[C@@H](C#N)CN(C)Cc1cn2ccccc2[nH+]1 ZINC000042324260 343434362 /nfs/dbraw/zinc/43/43/62/343434362.db2.gz PJDWDWMRKGNRAF-NSHDSACASA-N 1 2 228.299 1.926 20 30 BDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cnns1 ZINC000329340106 136365117 /nfs/dbraw/zinc/36/51/17/136365117.db2.gz RIGCUEJABGVZKE-ZETCQYMHSA-N 1 2 249.299 1.054 20 30 BDEDLO O=C(N[C@H]1CCCOC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329434954 136365619 /nfs/dbraw/zinc/36/56/19/136365619.db2.gz IQRSNWMIOFEDQH-MNOVXSKESA-N 1 2 249.314 1.581 20 30 BDEDLO N#CCCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000588359568 343461321 /nfs/dbraw/zinc/46/13/21/343461321.db2.gz IWIQCAGYVUPRJU-UHFFFAOYSA-N 1 2 234.303 1.542 20 30 BDEDLO COCC[N@@H+](CCC#N)CCOc1ccccc1 ZINC000071230803 343636549 /nfs/dbraw/zinc/63/65/49/343636549.db2.gz VZBYGPAVQNDHRN-UHFFFAOYSA-N 1 2 248.326 1.927 20 30 BDEDLO COCC[N@H+](CCC#N)CCOc1ccccc1 ZINC000071230803 343636551 /nfs/dbraw/zinc/63/65/51/343636551.db2.gz VZBYGPAVQNDHRN-UHFFFAOYSA-N 1 2 248.326 1.927 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(C(=O)OCC)no1 ZINC000314462746 259367571 /nfs/dbraw/zinc/36/75/71/259367571.db2.gz LETZFHNRLQOUTI-UHFFFAOYSA-N 1 2 239.275 1.254 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(C(=O)OCC)no1 ZINC000314462746 259367573 /nfs/dbraw/zinc/36/75/73/259367573.db2.gz LETZFHNRLQOUTI-UHFFFAOYSA-N 1 2 239.275 1.254 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)CCCCC#N ZINC000602938835 349825687 /nfs/dbraw/zinc/82/56/87/349825687.db2.gz SRCSAAZDNWYGEZ-UHFFFAOYSA-N 1 2 206.293 1.844 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)CCCCC#N ZINC000602938835 349825689 /nfs/dbraw/zinc/82/56/89/349825689.db2.gz SRCSAAZDNWYGEZ-UHFFFAOYSA-N 1 2 206.293 1.844 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981241 349830800 /nfs/dbraw/zinc/83/08/00/349830800.db2.gz ADMLMFCEIUBRNP-AAEUAGOBSA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981241 349830803 /nfs/dbraw/zinc/83/08/03/349830803.db2.gz ADMLMFCEIUBRNP-AAEUAGOBSA-N 1 2 232.331 1.853 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978410 349843244 /nfs/dbraw/zinc/84/32/44/349843244.db2.gz QFVJOHGTYXANSO-OLZOCXBDSA-N 1 2 249.358 1.479 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978410 349843246 /nfs/dbraw/zinc/84/32/46/349843246.db2.gz QFVJOHGTYXANSO-OLZOCXBDSA-N 1 2 249.358 1.479 20 30 BDEDLO COc1nccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602982559 349835413 /nfs/dbraw/zinc/83/54/13/349835413.db2.gz UVCCDBNLVBNDOE-CMPLNLGQSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1nccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602982559 349835416 /nfs/dbraw/zinc/83/54/16/349835416.db2.gz UVCCDBNLVBNDOE-CMPLNLGQSA-N 1 2 246.314 1.609 20 30 BDEDLO C[N@H+](CC(=O)NC1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602975021 349839139 /nfs/dbraw/zinc/83/91/39/349839139.db2.gz XNYKKHCPCYMCKV-YPMHNXCESA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@@H+](CC(=O)NC1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602975021 349839141 /nfs/dbraw/zinc/83/91/41/349839141.db2.gz XNYKKHCPCYMCKV-YPMHNXCESA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@H+](CC(=O)NC1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000602975018 349839159 /nfs/dbraw/zinc/83/91/59/349839159.db2.gz XNYKKHCPCYMCKV-AAEUAGOBSA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@@H+](CC(=O)NC1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000602975018 349839162 /nfs/dbraw/zinc/83/91/62/349839162.db2.gz XNYKKHCPCYMCKV-AAEUAGOBSA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@H+](Cc1ccno1)[C@@H]1CCC[C@@H]1C#N ZINC000602976326 349840917 /nfs/dbraw/zinc/84/09/17/349840917.db2.gz OCROLSZMSCJGNN-MWLCHTKSSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccno1)[C@@H]1CCC[C@@H]1C#N ZINC000602976326 349840919 /nfs/dbraw/zinc/84/09/19/349840919.db2.gz OCROLSZMSCJGNN-MWLCHTKSSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@H+](CC(=O)NCC1CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976968 349841462 /nfs/dbraw/zinc/84/14/62/349841462.db2.gz VWFNMKHGCQMNPJ-CHWSQXEVSA-N 1 2 249.358 1.527 20 30 BDEDLO C[N@@H+](CC(=O)NCC1CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976968 349841463 /nfs/dbraw/zinc/84/14/63/349841463.db2.gz VWFNMKHGCQMNPJ-CHWSQXEVSA-N 1 2 249.358 1.527 20 30 BDEDLO C=C(C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000154324447 343714037 /nfs/dbraw/zinc/71/40/37/343714037.db2.gz DEEHFPNIDVQTGD-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000576648061 343756057 /nfs/dbraw/zinc/75/60/57/343756057.db2.gz WRKXKTHUQPPEEW-VXGBXAGGSA-N 1 2 231.299 1.495 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](O)C1 ZINC000334264940 343853266 /nfs/dbraw/zinc/85/32/66/343853266.db2.gz LTEIHMAKRMXPEJ-SNVBAGLBSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000334264940 343853268 /nfs/dbraw/zinc/85/32/68/343853268.db2.gz LTEIHMAKRMXPEJ-SNVBAGLBSA-N 1 2 220.247 1.264 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCSCC)nn1 ZINC000603198122 349884804 /nfs/dbraw/zinc/88/48/04/349884804.db2.gz MUBNXCPBSBHKCK-UHFFFAOYSA-N 1 2 238.360 1.144 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cscc1C#N ZINC000334308766 343867796 /nfs/dbraw/zinc/86/77/96/343867796.db2.gz FDJNOPUKYAKTPP-UHFFFAOYSA-N 1 2 246.295 1.581 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000157065425 343907162 /nfs/dbraw/zinc/90/71/62/343907162.db2.gz WDDARTGULQBOOW-NXEZZACHSA-N 1 2 211.309 1.135 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000625703948 344048820 /nfs/dbraw/zinc/04/88/20/344048820.db2.gz QBBAIEPZRRVHLV-SNVBAGLBSA-N 1 2 207.277 1.776 20 30 BDEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000625703948 344048822 /nfs/dbraw/zinc/04/88/22/344048822.db2.gz QBBAIEPZRRVHLV-SNVBAGLBSA-N 1 2 207.277 1.776 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000278858299 344319162 /nfs/dbraw/zinc/31/91/62/344319162.db2.gz WEXXOWGJQBUCOR-CMPLNLGQSA-N 1 2 218.304 1.890 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@H]1CCCOC1)C(=O)OC ZINC000600601547 344337580 /nfs/dbraw/zinc/33/75/80/344337580.db2.gz GAOAQWVBPHWKTR-GHMZBOCLSA-N 1 2 227.304 1.120 20 30 BDEDLO Cc1[nH+]ccc(N2CCO[C@@H](C#N)C2)c1Cl ZINC000309390798 347045248 /nfs/dbraw/zinc/04/52/48/347045248.db2.gz SFDFPHNUUZWHLA-VIFPVBQESA-N 1 2 237.690 1.772 20 30 BDEDLO CC(C)(CO)[C@@H]([NH2+]CCC#N)c1cccnc1 ZINC000584292153 344426762 /nfs/dbraw/zinc/42/67/62/344426762.db2.gz VVLQYRLRFYGZSC-LBPRGKRZSA-N 1 2 233.315 1.644 20 30 BDEDLO COc1ccc[nH+]c1NC1CCN(CC#N)CC1 ZINC000127601519 344570653 /nfs/dbraw/zinc/57/06/53/344570653.db2.gz BVZGUZWXVBZGQT-UHFFFAOYSA-N 1 2 246.314 1.490 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000381483558 344511354 /nfs/dbraw/zinc/51/13/54/344511354.db2.gz UIMAJLBYACJYEQ-SECBINFHSA-N 1 2 214.272 1.812 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304551298 344531608 /nfs/dbraw/zinc/53/16/08/344531608.db2.gz KCDACSWBGPYPGN-VIFPVBQESA-N 1 2 236.237 1.679 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304551298 344531610 /nfs/dbraw/zinc/53/16/10/344531610.db2.gz KCDACSWBGPYPGN-VIFPVBQESA-N 1 2 236.237 1.679 20 30 BDEDLO NC(Cc1ccccc1Cl)=[NH+]OCCO ZINC000111997721 344610869 /nfs/dbraw/zinc/61/08/69/344610869.db2.gz OPIPNXYCENUEMU-UHFFFAOYSA-N 1 2 228.679 1.164 20 30 BDEDLO CO[C@@H](C)CO[NH+]=C(N)COc1ccccc1 ZINC000181547796 347063132 /nfs/dbraw/zinc/06/31/32/347063132.db2.gz GKAWTYNDULWXTD-JTQLQIEISA-N 1 2 238.287 1.389 20 30 BDEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000181606403 347066213 /nfs/dbraw/zinc/06/62/13/347066213.db2.gz RTWXOMBHBLDCGS-ZETCQYMHSA-N 1 2 244.241 1.637 20 30 BDEDLO C=CCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076048936 344793402 /nfs/dbraw/zinc/79/34/02/344793402.db2.gz ULMWHHBIKZXCHO-JTQLQIEISA-N 1 2 234.303 1.485 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1nncn1C ZINC000050418844 344815773 /nfs/dbraw/zinc/81/57/73/344815773.db2.gz AVJIAOZZOKNMGV-BDAKNGLRSA-N 1 2 207.281 1.158 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CC#N ZINC000120501640 344891933 /nfs/dbraw/zinc/89/19/33/344891933.db2.gz YBXFXLRGYYMNDT-SECBINFHSA-N 1 2 218.260 1.814 20 30 BDEDLO NC(CCO)=[NH+]O[C@@H]1CCCc2ccccc21 ZINC000121375719 344922501 /nfs/dbraw/zinc/92/25/01/344922501.db2.gz FKPNKJUFNINPAR-GFCCVEGCSA-N 1 2 234.299 1.735 20 30 BDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC1(C#N)CC1 ZINC000408260315 344960626 /nfs/dbraw/zinc/96/06/26/344960626.db2.gz UIHQHYCVUZFJDE-TUAOUCFPSA-N 1 2 248.326 1.564 20 30 BDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC1(C#N)CC1 ZINC000408260315 344960631 /nfs/dbraw/zinc/96/06/31/344960631.db2.gz UIHQHYCVUZFJDE-TUAOUCFPSA-N 1 2 248.326 1.564 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(C#N)cc1F ZINC000309330174 323082045 /nfs/dbraw/zinc/08/20/45/323082045.db2.gz HOSFVSJLAKPPSP-VIFPVBQESA-N 1 2 217.247 1.947 20 30 BDEDLO Cc1cc(N(C)CCn2cccn2)c(C#N)c[nH+]1 ZINC000425219460 192084797 /nfs/dbraw/zinc/08/47/97/192084797.db2.gz AIPHWWFRXIKTIH-UHFFFAOYSA-N 1 2 241.298 1.595 20 30 BDEDLO CN(CCCn1cc[nH+]c1)C(=O)C1(C#N)CCC1 ZINC000154823118 345052445 /nfs/dbraw/zinc/05/24/45/345052445.db2.gz UKRAPZRRUOSZPL-UHFFFAOYSA-N 1 2 246.314 1.425 20 30 BDEDLO Cc1cc(N2CC[S@@](=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425224975 192084356 /nfs/dbraw/zinc/08/43/56/192084356.db2.gz FGJRXTWDMWJOAN-BMLIUANNSA-N 1 2 249.339 1.219 20 30 BDEDLO N#CCC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603332854 349925771 /nfs/dbraw/zinc/92/57/71/349925771.db2.gz QSUIATLIVBZAJR-UHFFFAOYSA-N 1 2 231.299 1.704 20 30 BDEDLO C=CCN(CC=C)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635065530 345237604 /nfs/dbraw/zinc/23/76/04/345237604.db2.gz KUEGTCZFIJGEPX-UHFFFAOYSA-N 1 2 233.315 1.715 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](CCC#N)CCOC ZINC000131529301 345301086 /nfs/dbraw/zinc/30/10/86/345301086.db2.gz XTGZPCOORJAKDH-LBPRGKRZSA-N 1 2 226.320 1.176 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](CCC#N)CCOC ZINC000131529301 345301087 /nfs/dbraw/zinc/30/10/87/345301087.db2.gz XTGZPCOORJAKDH-LBPRGKRZSA-N 1 2 226.320 1.176 20 30 BDEDLO C[N@@H+](CCC#N)CCOC[C@H]1CCCO1 ZINC000083218626 345505080 /nfs/dbraw/zinc/50/50/80/345505080.db2.gz ZDQRKURUQYJDAH-LLVKDONJSA-N 1 2 212.293 1.027 20 30 BDEDLO C[N@H+](CCC#N)CCOC[C@H]1CCCO1 ZINC000083218626 345505082 /nfs/dbraw/zinc/50/50/82/345505082.db2.gz ZDQRKURUQYJDAH-LLVKDONJSA-N 1 2 212.293 1.027 20 30 BDEDLO COC(=O)[C@@](C)([NH2+]CCCC#N)C1CC1 ZINC000081153354 345463386 /nfs/dbraw/zinc/46/33/86/345463386.db2.gz PBCMHLYISNIGMA-NSHDSACASA-N 1 2 210.277 1.221 20 30 BDEDLO NC(CCO)=[NH+]OCc1ccc(F)cc1Cl ZINC000136068578 345473085 /nfs/dbraw/zinc/47/30/85/345473085.db2.gz RYFSXKFRXMUBFE-UHFFFAOYSA-N 1 2 246.669 1.650 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000359652473 534998244 /nfs/dbraw/zinc/99/82/44/534998244.db2.gz SXCBUNJXFFEYKK-SNVBAGLBSA-N 1 2 246.314 1.111 20 30 BDEDLO C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635547314 345586073 /nfs/dbraw/zinc/58/60/73/345586073.db2.gz FPTLBDIDFYXIMZ-VXGBXAGGSA-N 1 2 245.326 1.938 20 30 BDEDLO C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635547314 345586078 /nfs/dbraw/zinc/58/60/78/345586078.db2.gz FPTLBDIDFYXIMZ-VXGBXAGGSA-N 1 2 245.326 1.938 20 30 BDEDLO N#Cc1csc(CNc2c[nH]c[nH+]2)n1 ZINC000307756152 345938224 /nfs/dbraw/zinc/93/82/24/345938224.db2.gz GYNUNHRGVYPRGU-UHFFFAOYSA-N 1 2 205.246 1.350 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000586779339 346100288 /nfs/dbraw/zinc/10/02/88/346100288.db2.gz XZAZGWJUHJUXBH-BUWBCJGYSA-N 1 2 245.388 1.155 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000586779339 346100291 /nfs/dbraw/zinc/10/02/91/346100291.db2.gz XZAZGWJUHJUXBH-BUWBCJGYSA-N 1 2 245.388 1.155 20 30 BDEDLO C=C(C)CCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635985997 346138825 /nfs/dbraw/zinc/13/88/25/346138825.db2.gz LAWBTCJBCAFFTK-UHFFFAOYSA-N 1 2 221.304 1.597 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nc(C)c[nH]1 ZINC000628251602 346221830 /nfs/dbraw/zinc/22/18/30/346221830.db2.gz OHUFMKUHGGEGFU-UHFFFAOYSA-N 1 2 209.293 1.353 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nc(C)c[nH]1 ZINC000628251602 346221832 /nfs/dbraw/zinc/22/18/32/346221832.db2.gz OHUFMKUHGGEGFU-UHFFFAOYSA-N 1 2 209.293 1.353 20 30 BDEDLO Cc1ccc(C#N)nc1NCCCn1cc[nH+]c1 ZINC000589104345 346665748 /nfs/dbraw/zinc/66/57/48/346665748.db2.gz VUVDOZNSICIEJA-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO N#CCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589698254 346728062 /nfs/dbraw/zinc/72/80/62/346728062.db2.gz RSJWSPVSJMMVBW-UHFFFAOYSA-N 1 2 245.282 1.365 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000589996729 346760427 /nfs/dbraw/zinc/76/04/27/346760427.db2.gz OKBFABFHSIWVJV-KKZNHRDASA-N 1 2 245.269 1.691 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000589996729 346760429 /nfs/dbraw/zinc/76/04/29/346760429.db2.gz OKBFABFHSIWVJV-KKZNHRDASA-N 1 2 245.269 1.691 20 30 BDEDLO COCC#CC[N@H+](C)[C@@H](CC(C)C)C(=O)OC ZINC000590025778 346765741 /nfs/dbraw/zinc/76/57/41/346765741.db2.gz FRTHVBAMNIVKDT-LBPRGKRZSA-N 1 2 241.331 1.156 20 30 BDEDLO COCC#CC[N@@H+](C)[C@@H](CC(C)C)C(=O)OC ZINC000590025778 346765746 /nfs/dbraw/zinc/76/57/46/346765746.db2.gz FRTHVBAMNIVKDT-LBPRGKRZSA-N 1 2 241.331 1.156 20 30 BDEDLO COCC1(C[N@@H+]2CC[C@@](F)(C#N)C2)CCC1 ZINC000589743217 346734679 /nfs/dbraw/zinc/73/46/79/346734679.db2.gz XNEQSQCIFXZKDO-GFCCVEGCSA-N 1 2 226.295 1.741 20 30 BDEDLO COCC1(C[N@H+]2CC[C@@](F)(C#N)C2)CCC1 ZINC000589743217 346734680 /nfs/dbraw/zinc/73/46/80/346734680.db2.gz XNEQSQCIFXZKDO-GFCCVEGCSA-N 1 2 226.295 1.741 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)CC1(C#N)CC1 ZINC000590469528 347252310 /nfs/dbraw/zinc/25/23/10/347252310.db2.gz MRWHYKAWUQRNFH-UHFFFAOYSA-N 1 2 245.282 1.400 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186334969 347231719 /nfs/dbraw/zinc/23/17/19/347231719.db2.gz WNSRCSMQLIYWSW-JTQLQIEISA-N 1 2 217.696 1.766 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186334969 347231720 /nfs/dbraw/zinc/23/17/20/347231720.db2.gz WNSRCSMQLIYWSW-JTQLQIEISA-N 1 2 217.696 1.766 20 30 BDEDLO N#CC1(F)CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000352462969 136746800 /nfs/dbraw/zinc/74/68/00/136746800.db2.gz HBEKPXLTEVQZAO-ZETCQYMHSA-N 1 2 240.200 1.237 20 30 BDEDLO C=CCOCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925569 347457187 /nfs/dbraw/zinc/45/71/87/347457187.db2.gz KTSMYPDGMYXVNP-UHFFFAOYSA-N 1 2 237.303 1.351 20 30 BDEDLO C=CCOCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925569 347457189 /nfs/dbraw/zinc/45/71/89/347457189.db2.gz KTSMYPDGMYXVNP-UHFFFAOYSA-N 1 2 237.303 1.351 20 30 BDEDLO N#Cc1cccnc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567391 347469399 /nfs/dbraw/zinc/46/93/99/347469399.db2.gz ARPFTAMMIPITOV-UHFFFAOYSA-N 1 2 225.255 1.239 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590599586 347479284 /nfs/dbraw/zinc/47/92/84/347479284.db2.gz JEVMXMIYGROWRL-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590599586 347479286 /nfs/dbraw/zinc/47/92/86/347479286.db2.gz JEVMXMIYGROWRL-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO C=CCOCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591201924 347630131 /nfs/dbraw/zinc/63/01/31/347630131.db2.gz CFUUHGBAZVRRPL-GFCCVEGCSA-N 1 2 249.314 1.249 20 30 BDEDLO N#CCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000591019762 347610506 /nfs/dbraw/zinc/61/05/06/347610506.db2.gz AZMRZWUEHMISHR-ZDUSSCGKSA-N 1 2 216.284 1.324 20 30 BDEDLO COc1nc(C)cc(C)c1C[NH2+]CCC#N ZINC000591736446 347694826 /nfs/dbraw/zinc/69/48/26/347694826.db2.gz METPXEANDNKBCZ-UHFFFAOYSA-N 1 2 219.288 1.710 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592122522 347737661 /nfs/dbraw/zinc/73/76/61/347737661.db2.gz LZBUJSQWQKXBCE-ZJUUUORDSA-N 1 2 201.273 1.793 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592122522 347737663 /nfs/dbraw/zinc/73/76/63/347737663.db2.gz LZBUJSQWQKXBCE-ZJUUUORDSA-N 1 2 201.273 1.793 20 30 BDEDLO CCOCC[N@H+](C)Cc1ccncc1C#N ZINC000592092171 347740152 /nfs/dbraw/zinc/74/01/52/347740152.db2.gz NGLHAQYBNCQEKR-UHFFFAOYSA-N 1 2 219.288 1.422 20 30 BDEDLO CCOCC[N@@H+](C)Cc1ccncc1C#N ZINC000592092171 347740156 /nfs/dbraw/zinc/74/01/56/347740156.db2.gz NGLHAQYBNCQEKR-UHFFFAOYSA-N 1 2 219.288 1.422 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000592133314 347747524 /nfs/dbraw/zinc/74/75/24/347747524.db2.gz PACVAKGDMJKRDJ-MNOVXSKESA-N 1 2 227.304 1.213 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000592133314 347747526 /nfs/dbraw/zinc/74/75/26/347747526.db2.gz PACVAKGDMJKRDJ-MNOVXSKESA-N 1 2 227.304 1.213 20 30 BDEDLO CCCNC(=O)C[N@H+](CCC)CC1(C#N)CC1 ZINC000343138017 535065983 /nfs/dbraw/zinc/06/59/83/535065983.db2.gz GJIDRYNLIBOSQZ-UHFFFAOYSA-N 1 2 237.347 1.528 20 30 BDEDLO CCCNC(=O)C[N@@H+](CCC)CC1(C#N)CC1 ZINC000343138017 535065992 /nfs/dbraw/zinc/06/59/92/535065992.db2.gz GJIDRYNLIBOSQZ-UHFFFAOYSA-N 1 2 237.347 1.528 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000593087032 347851648 /nfs/dbraw/zinc/85/16/48/347851648.db2.gz KVTHDXLHSZYBHI-IJLUTSLNSA-N 1 2 239.315 1.051 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000593087032 347851650 /nfs/dbraw/zinc/85/16/50/347851650.db2.gz KVTHDXLHSZYBHI-IJLUTSLNSA-N 1 2 239.315 1.051 20 30 BDEDLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC000593100328 347856896 /nfs/dbraw/zinc/85/68/96/347856896.db2.gz OJIDFTKXYZKQFA-ZQIUZPCESA-N 1 2 245.347 1.243 20 30 BDEDLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC000593100328 347856898 /nfs/dbraw/zinc/85/68/98/347856898.db2.gz OJIDFTKXYZKQFA-ZQIUZPCESA-N 1 2 245.347 1.243 20 30 BDEDLO CC[C@@H](C#N)C(=O)Nc1c[nH+]ccc1OC ZINC000593442025 347891553 /nfs/dbraw/zinc/89/15/53/347891553.db2.gz NHZUIPNYFCDUNT-QMMMGPOBSA-N 1 2 219.244 1.578 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000593448647 347893041 /nfs/dbraw/zinc/89/30/41/347893041.db2.gz ULIFPRTVRUXOSN-SNVBAGLBSA-N 1 2 245.282 1.221 20 30 BDEDLO CC[C@@H](C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000593461806 347899643 /nfs/dbraw/zinc/89/96/43/347899643.db2.gz ORWDDZZXVOJMGY-VIFPVBQESA-N 1 2 228.255 1.823 20 30 BDEDLO CC1(C)C[NH+](CC(=O)NC2(C#N)CCCC2)C1 ZINC000594284029 348030269 /nfs/dbraw/zinc/03/02/69/348030269.db2.gz PZVVLQUBKLFLLJ-UHFFFAOYSA-N 1 2 235.331 1.281 20 30 BDEDLO Cc1c[nH+]c(C)nc1NCC1(CC#N)CC1 ZINC000594576586 348075035 /nfs/dbraw/zinc/07/50/35/348075035.db2.gz UGXCRFZHLQAAAU-UHFFFAOYSA-N 1 2 216.288 1.621 20 30 BDEDLO C[C@@H](NC(=O)CCCCC#N)c1[nH]cc[nH+]1 ZINC000594421298 348050675 /nfs/dbraw/zinc/05/06/75/348050675.db2.gz SEDUEIJMBXBDRB-SECBINFHSA-N 1 2 220.276 1.671 20 30 BDEDLO Cc1cccn2cc(Cn3ccnc3C#N)[nH+]c12 ZINC000123957276 179356166 /nfs/dbraw/zinc/35/61/66/179356166.db2.gz WWTGZHUSAPZVFU-UHFFFAOYSA-N 1 2 237.266 1.759 20 30 BDEDLO C=CCCSCC[NH2+][C@@H](CC)C(=O)OC ZINC000594710891 348104102 /nfs/dbraw/zinc/10/41/02/348104102.db2.gz JQFUXCLRVZLSRB-JTQLQIEISA-N 1 2 231.361 1.837 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594612563 348083419 /nfs/dbraw/zinc/08/34/19/348083419.db2.gz ONJSZWFQXKKFRS-JTQLQIEISA-N 1 2 218.304 1.611 20 30 BDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595399037 348238316 /nfs/dbraw/zinc/23/83/16/348238316.db2.gz UVBAKDZODQCAEQ-CYBMUJFWSA-N 1 2 247.346 1.075 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C[C@H](C#N)CCC#N ZINC000595401736 348239176 /nfs/dbraw/zinc/23/91/76/348239176.db2.gz OEEUGQFNIRBENN-JTQLQIEISA-N 1 2 217.276 1.285 20 30 BDEDLO 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C[C@@]1(C2CC2)C[N@@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000595617201 348289853 /nfs/dbraw/zinc/28/98/53/348289853.db2.gz GKOAKEYBURBBMW-JSGCOSHPSA-N 1 2 247.342 1.931 20 30 BDEDLO C[C@]1(C2CC2)C[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000595617203 348290040 /nfs/dbraw/zinc/29/00/40/348290040.db2.gz GKOAKEYBURBBMW-TZMCWYRMSA-N 1 2 247.342 1.931 20 30 BDEDLO C[C@]1(C2CC2)C[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000595617203 348290043 /nfs/dbraw/zinc/29/00/43/348290043.db2.gz GKOAKEYBURBBMW-TZMCWYRMSA-N 1 2 247.342 1.931 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000595808312 348348727 /nfs/dbraw/zinc/34/87/27/348348727.db2.gz CNVVLUMSMRWOBG-RKDXNWHRSA-N 1 2 219.313 1.857 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000595808312 348348730 /nfs/dbraw/zinc/34/87/30/348348730.db2.gz CNVVLUMSMRWOBG-RKDXNWHRSA-N 1 2 219.313 1.857 20 30 BDEDLO C[C@@H](C#N)N(CCCn1cc[nH+]c1)C1CC1 ZINC000595712306 348324651 /nfs/dbraw/zinc/32/46/51/348324651.db2.gz JNBQQFREDICKPQ-NSHDSACASA-N 1 2 218.304 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/nfs/dbraw/zinc/37/15/54/348371554.db2.gz VMWWAQOKGNUOLP-TZMCWYRMSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595838499 348371557 /nfs/dbraw/zinc/37/15/57/348371557.db2.gz VMWWAQOKGNUOLP-TZMCWYRMSA-N 1 2 249.358 1.621 20 30 BDEDLO COc1cc[nH+]c(CN2CC[C@](C)(C#N)C2)c1 ZINC000595841377 348376276 /nfs/dbraw/zinc/37/62/76/348376276.db2.gz VMIKAFNTKLQWFM-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO CC[N@H+](C[C@H](O)CC(F)(F)F)[C@H](C)C#N ZINC000595820838 348362267 /nfs/dbraw/zinc/36/22/67/348362267.db2.gz PJNPZGOMQUDMRN-HTQZYQBOSA-N 1 2 224.226 1.534 20 30 BDEDLO CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@H](C)C#N ZINC000595820838 348362269 /nfs/dbraw/zinc/36/22/69/348362269.db2.gz PJNPZGOMQUDMRN-HTQZYQBOSA-N 1 2 224.226 1.534 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CC1=CCSC1 ZINC000595888477 348389205 /nfs/dbraw/zinc/38/92/05/348389205.db2.gz NAYKXOOMSSTCQK-JTQLQIEISA-N 1 2 227.329 1.319 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CC1=CCSC1 ZINC000595888477 348389206 /nfs/dbraw/zinc/38/92/06/348389206.db2.gz NAYKXOOMSSTCQK-JTQLQIEISA-N 1 2 227.329 1.319 20 30 BDEDLO Cn1ncc(C#N)c1NCCNc1cccc[nH+]1 ZINC000596058126 348435587 /nfs/dbraw/zinc/43/55/87/348435587.db2.gz DGUDQLUFEKKTGE-UHFFFAOYSA-N 1 2 242.286 1.211 20 30 BDEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1nccn1C ZINC000596069106 348437367 /nfs/dbraw/zinc/43/73/67/348437367.db2.gz JVAOXTHAXGRMNU-WDEREUQCSA-N 1 2 231.303 1.514 20 30 BDEDLO C[C@H](NC[C@@H](C#N)CCC#N)c1[nH+]ccn1C ZINC000596069106 348437371 /nfs/dbraw/zinc/43/73/71/348437371.db2.gz JVAOXTHAXGRMNU-WDEREUQCSA-N 1 2 231.303 1.514 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)C(=O)OC ZINC000396919740 349996792 /nfs/dbraw/zinc/99/67/92/349996792.db2.gz XRWJGKWRJAWNKP-YUMQZZPRSA-N 1 2 239.237 1.892 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C#N)ncn1 ZINC000596256619 348476528 /nfs/dbraw/zinc/47/65/28/348476528.db2.gz DZVAKPNVWCMUSV-SECBINFHSA-N 1 2 242.286 1.738 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C#N)cnn1 ZINC000596258133 348477456 /nfs/dbraw/zinc/47/74/56/348477456.db2.gz UZGRLTLCPCWIGI-VIFPVBQESA-N 1 2 242.286 1.160 20 30 BDEDLO Cc1ccc(CCNc2c(C#N)cnn2C)[nH+]c1 ZINC000596260849 348478469 /nfs/dbraw/zinc/47/84/69/348478469.db2.gz LRAMPSFFTFVNEG-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO C[C@H](Nc1cncc(C#N)n1)c1[nH+]ccn1C ZINC000596539797 348583078 /nfs/dbraw/zinc/58/30/78/348583078.db2.gz BUFXOBVQJHWLQI-QMMMGPOBSA-N 1 2 228.259 1.255 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CCC1 ZINC000596631344 348597626 /nfs/dbraw/zinc/59/76/26/348597626.db2.gz DRPJIXBDVNQLMG-UHFFFAOYSA-N 1 2 247.302 1.245 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CCC1 ZINC000596631344 348597629 /nfs/dbraw/zinc/59/76/29/348597629.db2.gz DRPJIXBDVNQLMG-UHFFFAOYSA-N 1 2 247.302 1.245 20 30 BDEDLO Cc1cc(N2C[C@H]3COC[C@]3(C)C2)c(C#N)c[nH+]1 ZINC000596479808 348556008 /nfs/dbraw/zinc/55/60/08/348556008.db2.gz KWYLGALIZIBCKS-JSGCOSHPSA-N 1 2 243.310 1.734 20 30 BDEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1[nH+]ccn1C ZINC000596488260 348559971 /nfs/dbraw/zinc/55/99/71/348559971.db2.gz PFTWJTYJCXWAJN-QMMMGPOBSA-N 1 2 243.270 1.111 20 30 BDEDLO Cc1cc(N[C@@H]2C[C@H](O)C23CCC3)c(C#N)c[nH+]1 ZINC000596504622 348571479 /nfs/dbraw/zinc/57/14/79/348571479.db2.gz HXRQNAORLQHTDR-OLZOCXBDSA-N 1 2 243.310 1.399 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597035383 348646534 /nfs/dbraw/zinc/64/65/34/348646534.db2.gz FIYHKLZIRNPXQW-RNCFNFMXSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597035383 348646537 /nfs/dbraw/zinc/64/65/37/348646537.db2.gz FIYHKLZIRNPXQW-RNCFNFMXSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597036738 348647080 /nfs/dbraw/zinc/64/70/80/348647080.db2.gz XYJXKLREBDBZHP-ZWNOBZJWSA-N 1 2 246.314 1.254 20 30 BDEDLO COc1ncncc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597177519 348670286 /nfs/dbraw/zinc/67/02/86/348670286.db2.gz OCALJAIUOLVFNY-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO COc1ncncc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597177519 348670288 /nfs/dbraw/zinc/67/02/88/348670288.db2.gz OCALJAIUOLVFNY-LLVKDONJSA-N 1 2 246.314 1.611 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000597012130 348650697 /nfs/dbraw/zinc/65/06/97/348650697.db2.gz MDLMEOQKHBCPPM-NSHDSACASA-N 1 2 246.314 1.596 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000597193252 348671035 /nfs/dbraw/zinc/67/10/35/348671035.db2.gz OYBQHIANDMNBAE-UHFFFAOYSA-N 1 2 244.294 1.803 20 30 BDEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)nc1 ZINC000597193956 348671191 /nfs/dbraw/zinc/67/11/91/348671191.db2.gz LMCNVQLOZVKBSL-UHFFFAOYSA-N 1 2 201.273 1.736 20 30 BDEDLO Cc1cccn2c(CN3CC(CC#N)C3)c[nH+]c12 ZINC000597193936 348671214 /nfs/dbraw/zinc/67/12/14/348671214.db2.gz KZRBQHNTSFMTKY-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO Cc1cccn2c(C[NH+]3CC(CC#N)C3)cnc12 ZINC000597193936 348671216 /nfs/dbraw/zinc/67/12/16/348671216.db2.gz KZRBQHNTSFMTKY-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000597082449 348658600 /nfs/dbraw/zinc/65/86/00/348658600.db2.gz KDQFUPWRGGBKMS-JTQLQIEISA-N 1 2 232.331 1.937 20 30 BDEDLO Cn1c2ccccc2nc1C[NH+]1CC(CC#N)C1 ZINC000597193648 348671709 /nfs/dbraw/zinc/67/17/09/348671709.db2.gz KAGJYEBOIKUAKQ-UHFFFAOYSA-N 1 2 240.310 1.919 20 30 BDEDLO COC(=O)c1coc(C[NH+]2CC(CC#N)C2)c1 ZINC000597204236 348677923 /nfs/dbraw/zinc/67/79/23/348677923.db2.gz VEDPKWGHKXZKBG-UHFFFAOYSA-N 1 2 234.255 1.412 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597189275 348685975 /nfs/dbraw/zinc/68/59/75/348685975.db2.gz SLICHYJDBHXRJQ-SKDRFNHKSA-N 1 2 246.314 1.179 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597189275 348685978 /nfs/dbraw/zinc/68/59/78/348685978.db2.gz SLICHYJDBHXRJQ-SKDRFNHKSA-N 1 2 246.314 1.179 20 30 BDEDLO N#CC1(CC(=O)NCc2c[nH+]c[nH]2)CCCCC1 ZINC000597278785 348706891 /nfs/dbraw/zinc/70/68/91/348706891.db2.gz KFLMVWNFAZAHOU-UHFFFAOYSA-N 1 2 246.314 1.890 20 30 BDEDLO N#CC1(CC(=O)NCc2c[nH]c[nH+]2)CCCCC1 ZINC000597278785 348706893 /nfs/dbraw/zinc/70/68/93/348706893.db2.gz KFLMVWNFAZAHOU-UHFFFAOYSA-N 1 2 246.314 1.890 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C#N)CCCCC1 ZINC000597865679 348831915 /nfs/dbraw/zinc/83/19/15/348831915.db2.gz UQSIFHQUBFTKNH-UHFFFAOYSA-N 1 2 246.314 1.842 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C#N)CCCCC1 ZINC000597865679 348831920 /nfs/dbraw/zinc/83/19/20/348831920.db2.gz UQSIFHQUBFTKNH-UHFFFAOYSA-N 1 2 246.314 1.842 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597903033 348839826 /nfs/dbraw/zinc/83/98/26/348839826.db2.gz GIKWXLCUUPCAQT-NSHDSACASA-N 1 2 246.314 1.413 20 30 BDEDLO C[C@H](C#N)N(C(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000598128589 348894261 /nfs/dbraw/zinc/89/42/61/348894261.db2.gz APVJKLSCJOMQOD-LLVKDONJSA-N 1 2 246.314 1.566 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000598137098 348904927 /nfs/dbraw/zinc/90/49/27/348904927.db2.gz LQCUELVTFSIPMK-VHSXEESVSA-N 1 2 246.314 1.491 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000598137098 348904930 /nfs/dbraw/zinc/90/49/30/348904930.db2.gz LQCUELVTFSIPMK-VHSXEESVSA-N 1 2 246.314 1.491 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)C#N ZINC000598362645 348948600 /nfs/dbraw/zinc/94/86/00/348948600.db2.gz GVFDZRXTAOMTIC-VHSXEESVSA-N 1 2 246.314 1.275 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C)C#N ZINC000598362645 348948601 /nfs/dbraw/zinc/94/86/01/348948601.db2.gz GVFDZRXTAOMTIC-VHSXEESVSA-N 1 2 246.314 1.275 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CCC#N)CC2 ZINC000599151153 349106513 /nfs/dbraw/zinc/10/65/13/349106513.db2.gz LSPQDVPAUYXOEO-LLVKDONJSA-N 1 2 246.314 1.126 20 30 BDEDLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)cc(C#N)n1 ZINC000599160371 349108967 /nfs/dbraw/zinc/10/89/67/349108967.db2.gz GRBOFVHPADTSRJ-CYBMUJFWSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)cc(C#N)n1 ZINC000599160371 349108971 /nfs/dbraw/zinc/10/89/71/349108971.db2.gz GRBOFVHPADTSRJ-CYBMUJFWSA-N 1 2 246.314 1.004 20 30 BDEDLO C=C(C)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000307010503 349156805 /nfs/dbraw/zinc/15/68/05/349156805.db2.gz IWAWIVURZTZEMW-CYBMUJFWSA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(C)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000307010503 349156806 /nfs/dbraw/zinc/15/68/06/349156806.db2.gz IWAWIVURZTZEMW-CYBMUJFWSA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000274398456 192403102 /nfs/dbraw/zinc/40/31/02/192403102.db2.gz YLRNVNBNNWIJFD-SECBINFHSA-N 1 2 207.277 1.628 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514865 349204788 /nfs/dbraw/zinc/20/47/88/349204788.db2.gz MHKCDSWJAIKWEE-AEJSXWLSSA-N 1 2 247.285 1.937 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514865 349204793 /nfs/dbraw/zinc/20/47/93/349204793.db2.gz MHKCDSWJAIKWEE-AEJSXWLSSA-N 1 2 247.285 1.937 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CC(O)(CC)CC ZINC000599673926 349242191 /nfs/dbraw/zinc/24/21/91/349242191.db2.gz WGPLNMDDZGXKEQ-SNVBAGLBSA-N 1 2 229.320 1.197 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CC(O)(CC)CC ZINC000599673926 349242194 /nfs/dbraw/zinc/24/21/94/349242194.db2.gz WGPLNMDDZGXKEQ-SNVBAGLBSA-N 1 2 229.320 1.197 20 30 BDEDLO Cc1nc(N[C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000291627212 180021681 /nfs/dbraw/zinc/02/16/81/180021681.db2.gz LBWUXRKNGDWCHH-JTQLQIEISA-N 1 2 241.298 1.959 20 30 BDEDLO N#CCN(C(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000604528595 350147546 /nfs/dbraw/zinc/14/75/46/350147546.db2.gz NROLMTYNOAVDIS-UHFFFAOYSA-N 1 2 232.287 1.178 20 30 BDEDLO C=CCOCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000618524832 350133886 /nfs/dbraw/zinc/13/38/86/350133886.db2.gz RPPNGSOFYKLXDM-UHFFFAOYSA-N 1 2 237.303 1.051 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C#N)o1 ZINC000336437693 180120316 /nfs/dbraw/zinc/12/03/16/180120316.db2.gz GODOQVMYJLHSTL-UHFFFAOYSA-N 1 2 230.227 1.113 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000220925321 350190507 /nfs/dbraw/zinc/19/05/07/350190507.db2.gz JTFUQVVDHRDHCE-DGCLKSJQSA-N 1 2 218.300 1.954 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000220925321 350190511 /nfs/dbraw/zinc/19/05/11/350190511.db2.gz JTFUQVVDHRDHCE-DGCLKSJQSA-N 1 2 218.300 1.954 20 30 BDEDLO C=CC(C)(C)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637189566 350248140 /nfs/dbraw/zinc/24/81/40/350248140.db2.gz BRWPRTHKZDTNSN-JTQLQIEISA-N 1 2 248.330 1.319 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@@H]1COCCO1)C1CC1 ZINC000336698411 350453069 /nfs/dbraw/zinc/45/30/69/350453069.db2.gz IPKKMYRRVRMBBR-ZYHUDNBSSA-N 1 2 224.304 1.026 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1COCCO1)C1CC1 ZINC000336698411 350453071 /nfs/dbraw/zinc/45/30/71/350453071.db2.gz IPKKMYRRVRMBBR-ZYHUDNBSSA-N 1 2 224.304 1.026 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000336706284 350456927 /nfs/dbraw/zinc/45/69/27/350456927.db2.gz FVAQISMSODODGW-GFCCVEGCSA-N 1 2 237.347 1.621 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000336706284 350456928 /nfs/dbraw/zinc/45/69/28/350456928.db2.gz FVAQISMSODODGW-GFCCVEGCSA-N 1 2 237.347 1.621 20 30 BDEDLO N#CCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336720130 350475715 /nfs/dbraw/zinc/47/57/15/350475715.db2.gz YETWDIYFEOQZMB-UHFFFAOYSA-N 1 2 231.299 1.838 20 30 BDEDLO Cn1c2ccccc2nc1C[NH2+]CCC#N ZINC000070162315 350501504 /nfs/dbraw/zinc/50/15/04/350501504.db2.gz KZPAFANSHJPWLK-UHFFFAOYSA-N 1 2 214.272 1.577 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000337088561 350555875 /nfs/dbraw/zinc/55/58/75/350555875.db2.gz HKPZLTLWXVWWOW-NEPJUHHUSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH+]c(C)nc1N ZINC000563193300 350605697 /nfs/dbraw/zinc/60/56/97/350605697.db2.gz JTNCAGMKALTJCR-CYBMUJFWSA-N 1 2 248.330 1.416 20 30 BDEDLO Cc1cccnc1C[N@@H+](C)C[C@@H](C)C#N ZINC000124113485 350682947 /nfs/dbraw/zinc/68/29/47/350682947.db2.gz CKODTFPJZLDTQB-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cccnc1C[N@H+](C)C[C@@H](C)C#N ZINC000124113485 350682949 /nfs/dbraw/zinc/68/29/49/350682949.db2.gz CKODTFPJZLDTQB-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(CCC)CCC ZINC000339755263 350818552 /nfs/dbraw/zinc/81/85/52/350818552.db2.gz FHQPQTOVJPYRLZ-UHFFFAOYSA-N 1 2 224.348 1.590 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(CCC)CCC ZINC000339755263 350818555 /nfs/dbraw/zinc/81/85/55/350818555.db2.gz FHQPQTOVJPYRLZ-UHFFFAOYSA-N 1 2 224.348 1.590 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000339754237 350818721 /nfs/dbraw/zinc/81/87/21/350818721.db2.gz NZARNHNEPHDLLT-ZDUSSCGKSA-N 1 2 238.375 1.835 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000339754237 350818724 /nfs/dbraw/zinc/81/87/24/350818724.db2.gz NZARNHNEPHDLLT-ZDUSSCGKSA-N 1 2 238.375 1.835 20 30 BDEDLO CCOC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397703869 350961809 /nfs/dbraw/zinc/96/18/09/350961809.db2.gz QRJCRVSAYMPXJZ-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397703869 350961815 /nfs/dbraw/zinc/96/18/15/350961815.db2.gz QRJCRVSAYMPXJZ-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1O ZINC000271110098 351401218 /nfs/dbraw/zinc/40/12/18/351401218.db2.gz APNXCZSQFUZFBV-SNVBAGLBSA-N 1 2 234.299 1.992 20 30 BDEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1O ZINC000271110098 351401221 /nfs/dbraw/zinc/40/12/21/351401221.db2.gz APNXCZSQFUZFBV-SNVBAGLBSA-N 1 2 234.299 1.992 20 30 BDEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)nc1 ZINC000271926343 351444894 /nfs/dbraw/zinc/44/48/94/351444894.db2.gz LJDYAOGWMPTNPZ-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)nc1 ZINC000271926343 351444902 /nfs/dbraw/zinc/44/49/02/351444902.db2.gz LJDYAOGWMPTNPZ-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](CCn1cccn1)C2 ZINC000405077715 351602194 /nfs/dbraw/zinc/60/21/94/351602194.db2.gz NKXNWSUFZLMPBS-UHFFFAOYSA-N 1 2 238.294 1.771 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](CCn1cccn1)C2 ZINC000405077715 351602198 /nfs/dbraw/zinc/60/21/98/351602198.db2.gz NKXNWSUFZLMPBS-UHFFFAOYSA-N 1 2 238.294 1.771 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276522608 351628825 /nfs/dbraw/zinc/62/88/25/351628825.db2.gz CTLXHQJBXAWAJC-NWALNABHSA-N 1 2 218.260 1.183 20 30 BDEDLO N#CC1(NC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC000280768780 351860094 /nfs/dbraw/zinc/86/00/94/351860094.db2.gz BNSSAVSPDCTGBM-UHFFFAOYSA-N 1 2 246.314 1.685 20 30 BDEDLO CC1(C#N)CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000280405649 351842757 /nfs/dbraw/zinc/84/27/57/351842757.db2.gz HNDOWSQOJSURSA-UHFFFAOYSA-N 1 2 240.266 1.320 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N1CC(C)(C#N)C1 ZINC000281020470 351871310 /nfs/dbraw/zinc/87/13/10/351871310.db2.gz SCMXLDGCYQQOHD-UHFFFAOYSA-N 1 2 230.271 1.767 20 30 BDEDLO C#CCCC[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000286397352 352088267 /nfs/dbraw/zinc/08/82/67/352088267.db2.gz JHTLGFLVAJQEMF-UHFFFAOYSA-N 1 2 248.248 1.106 20 30 BDEDLO C#CCCC[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000286397352 352088270 /nfs/dbraw/zinc/08/82/70/352088270.db2.gz JHTLGFLVAJQEMF-UHFFFAOYSA-N 1 2 248.248 1.106 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cn2cccnc2n1 ZINC000291387350 352274810 /nfs/dbraw/zinc/27/48/10/352274810.db2.gz BZODFFBXRFEXMO-SNVBAGLBSA-N 1 2 229.287 1.511 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)CCn1cc[nH+]c1 ZINC000291423308 352275474 /nfs/dbraw/zinc/27/54/74/352275474.db2.gz KSBDRFFIJMAJAE-GFCCVEGCSA-N 1 2 232.287 1.082 20 30 BDEDLO N#CCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000291662554 352284978 /nfs/dbraw/zinc/28/49/78/352284978.db2.gz JKHCXXHAXAUQIQ-UHFFFAOYSA-N 1 2 246.314 1.694 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCc1cncs1 ZINC000411321650 191176687 /nfs/dbraw/zinc/17/66/87/191176687.db2.gz UZLFPXSQLVVXAY-SECBINFHSA-N 1 2 209.318 1.920 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCc1cncs1 ZINC000411321650 191176689 /nfs/dbraw/zinc/17/66/89/191176689.db2.gz UZLFPXSQLVVXAY-SECBINFHSA-N 1 2 209.318 1.920 20 30 BDEDLO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000412063284 191256921 /nfs/dbraw/zinc/25/69/21/191256921.db2.gz CSLOIIXWIJGUOI-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000412063284 191256923 /nfs/dbraw/zinc/25/69/23/191256923.db2.gz CSLOIIXWIJGUOI-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C=CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000150961129 166358183 /nfs/dbraw/zinc/35/81/83/166358183.db2.gz ZJOZAPADEOTYGH-UHFFFAOYSA-N 1 2 232.209 1.299 20 30 BDEDLO C=CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000150961129 166358185 /nfs/dbraw/zinc/35/81/85/166358185.db2.gz ZJOZAPADEOTYGH-UHFFFAOYSA-N 1 2 232.209 1.299 20 30 BDEDLO COCC1(C#N)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000342836123 352841666 /nfs/dbraw/zinc/84/16/66/352841666.db2.gz GYKCDSUMMYRZAX-UHFFFAOYSA-N 1 2 234.303 1.162 20 30 BDEDLO CC1(C#N)CC[NH+](CC2(C#N)CC2)CC1 ZINC000334270777 352906875 /nfs/dbraw/zinc/90/68/75/352906875.db2.gz GAOCAOIGSJQWQM-UHFFFAOYSA-N 1 2 203.289 1.916 20 30 BDEDLO C=CCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000567051902 352984992 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COC[C@H]1CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000339278402 383941506 /nfs/dbraw/zinc/94/15/06/383941506.db2.gz GJELIMDBAXCSHU-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@H]1CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000339281149 383944880 /nfs/dbraw/zinc/94/48/80/383944880.db2.gz IXGXUKAGERIIRE-LLVKDONJSA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@H]1CC[N@H+]1Cc1cccc(F)c1C#N ZINC000339281149 383944882 /nfs/dbraw/zinc/94/48/82/383944882.db2.gz IXGXUKAGERIIRE-LLVKDONJSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC000407948785 383957286 /nfs/dbraw/zinc/95/72/86/383957286.db2.gz UECOFJJFJJEBDP-JTQLQIEISA-N 1 2 244.360 1.045 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC000407948785 383957291 /nfs/dbraw/zinc/95/72/91/383957291.db2.gz UECOFJJFJJEBDP-JTQLQIEISA-N 1 2 244.360 1.045 20 30 BDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000186947551 384095803 /nfs/dbraw/zinc/09/58/03/384095803.db2.gz AWRGQODIFYPYBV-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000186947551 384095808 /nfs/dbraw/zinc/09/58/08/384095808.db2.gz AWRGQODIFYPYBV-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000533816196 384183679 /nfs/dbraw/zinc/18/36/79/384183679.db2.gz VBRILMSNUZCNCK-UHFFFAOYSA-N 1 2 234.368 1.889 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000042450523 384221581 /nfs/dbraw/zinc/22/15/81/384221581.db2.gz SBOVVSUQMSBONZ-CQSZACIVSA-N 1 2 243.310 1.827 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000042450523 384221589 /nfs/dbraw/zinc/22/15/89/384221589.db2.gz SBOVVSUQMSBONZ-CQSZACIVSA-N 1 2 243.310 1.827 20 30 BDEDLO Cc1cc(NC[C@@H]2C[C@@H]2C)c(C#N)c[nH+]1 ZINC000335509890 384295866 /nfs/dbraw/zinc/29/58/66/384295866.db2.gz IFKSWZCDMPUSDX-WPRPVWTQSA-N 1 2 201.273 1.752 20 30 BDEDLO Cc1cc(N[C@H]2CS[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335512194 384296810 /nfs/dbraw/zinc/29/68/10/384296810.db2.gz PZZMAVUZSAPEAY-MWLCHTKSSA-N 1 2 233.340 1.990 20 30 BDEDLO C=CCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428012596 384300629 /nfs/dbraw/zinc/30/06/29/384300629.db2.gz UXZMXTNVCPGYHN-JTQLQIEISA-N 1 2 219.288 1.280 20 30 BDEDLO C#CCOc1ccccc1C[N@H+](CC)CC(N)=O ZINC000188068496 384359555 /nfs/dbraw/zinc/35/95/55/384359555.db2.gz YXQGDKOJHPYNOO-UHFFFAOYSA-N 1 2 246.310 1.006 20 30 BDEDLO C#CCOc1ccccc1C[N@@H+](CC)CC(N)=O ZINC000188068496 384359559 /nfs/dbraw/zinc/35/95/59/384359559.db2.gz YXQGDKOJHPYNOO-UHFFFAOYSA-N 1 2 246.310 1.006 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000044413350 384329805 /nfs/dbraw/zinc/32/98/05/384329805.db2.gz SXFGWOXZPVMGKZ-CYBMUJFWSA-N 1 2 218.300 1.956 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000044413350 384329812 /nfs/dbraw/zinc/32/98/12/384329812.db2.gz SXFGWOXZPVMGKZ-CYBMUJFWSA-N 1 2 218.300 1.956 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000490851884 384440111 /nfs/dbraw/zinc/44/01/11/384440111.db2.gz IQIACRMYAYXTLJ-ZDUSSCGKSA-N 1 2 241.294 1.040 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000490851884 384440115 /nfs/dbraw/zinc/44/01/15/384440115.db2.gz IQIACRMYAYXTLJ-ZDUSSCGKSA-N 1 2 241.294 1.040 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000161859305 384534657 /nfs/dbraw/zinc/53/46/57/384534657.db2.gz JEIIEDLCRRCUTC-VIFPVBQESA-N 1 2 237.263 1.025 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000161859305 384534658 /nfs/dbraw/zinc/53/46/58/384534658.db2.gz JEIIEDLCRRCUTC-VIFPVBQESA-N 1 2 237.263 1.025 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000161840625 384533062 /nfs/dbraw/zinc/53/30/62/384533062.db2.gz UMJMXJLBVGIZLH-SECBINFHSA-N 1 2 237.263 1.025 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000161840625 384533063 /nfs/dbraw/zinc/53/30/63/384533063.db2.gz UMJMXJLBVGIZLH-SECBINFHSA-N 1 2 237.263 1.025 20 30 BDEDLO N#CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000049837752 384574765 /nfs/dbraw/zinc/57/47/65/384574765.db2.gz MBFPSUKKPGHFFO-UHFFFAOYSA-N 1 2 249.745 1.981 20 30 BDEDLO CC#CCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000155024828 384691162 /nfs/dbraw/zinc/69/11/62/384691162.db2.gz RVTKTRKFFRFOIQ-UHFFFAOYSA-N 1 2 246.310 1.451 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000491792710 384732416 /nfs/dbraw/zinc/73/24/16/384732416.db2.gz HAZVUJDAZHXKPU-RYUDHWBXSA-N 1 2 245.326 1.364 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCC1 ZINC000083795588 384798981 /nfs/dbraw/zinc/79/89/81/384798981.db2.gz KNWIKXZGZXHFBJ-SNVBAGLBSA-N 1 2 232.287 1.082 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(CO)o1 ZINC000093090834 384845535 /nfs/dbraw/zinc/84/55/35/384845535.db2.gz JPQOHBXEOZWFFG-VIFPVBQESA-N 1 2 208.261 1.506 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(CO)o1 ZINC000093090834 384845540 /nfs/dbraw/zinc/84/55/40/384845540.db2.gz JPQOHBXEOZWFFG-VIFPVBQESA-N 1 2 208.261 1.506 20 30 BDEDLO C#CCC[N@H+]1CCC[C@@H]1c1noc(CC)n1 ZINC000363482274 384904629 /nfs/dbraw/zinc/90/46/29/384904629.db2.gz YPWKTURWGMQIOE-SNVBAGLBSA-N 1 2 219.288 1.792 20 30 BDEDLO C#CCC[N@@H+]1CCC[C@@H]1c1noc(CC)n1 ZINC000363482274 384904641 /nfs/dbraw/zinc/90/46/41/384904641.db2.gz YPWKTURWGMQIOE-SNVBAGLBSA-N 1 2 219.288 1.792 20 30 BDEDLO COC(=O)[C@H]([NH2+]CCC(C)(C)C#N)C1CC1 ZINC000309955808 384948173 /nfs/dbraw/zinc/94/81/73/384948173.db2.gz IGYPFYZTEWTCOC-SNVBAGLBSA-N 1 2 224.304 1.467 20 30 BDEDLO C[C@@H]1C[N@H+](CCNc2cnccc2C#N)CCO1 ZINC000539844203 385019121 /nfs/dbraw/zinc/01/91/21/385019121.db2.gz FPIYUMQCAFXVFN-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1C[N@@H+](CCNc2cnccc2C#N)CCO1 ZINC000539844203 385019127 /nfs/dbraw/zinc/01/91/27/385019127.db2.gz FPIYUMQCAFXVFN-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000297988706 385019114 /nfs/dbraw/zinc/01/91/14/385019114.db2.gz WVUQBCGVKHMECU-NSHDSACASA-N 1 2 249.314 1.984 20 30 BDEDLO C#CC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000051964510 385083525 /nfs/dbraw/zinc/08/35/25/385083525.db2.gz LIQQFWILPZPJHL-UHFFFAOYSA-N 1 2 209.289 1.475 20 30 BDEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000308857473 385219858 /nfs/dbraw/zinc/21/98/58/385219858.db2.gz SWMGUSBILWXMII-UWVGGRQHSA-N 1 2 204.277 1.582 20 30 BDEDLO CC#CCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000157976736 385307825 /nfs/dbraw/zinc/30/78/25/385307825.db2.gz JPZIQCCTPKAZLJ-UHFFFAOYSA-N 1 2 225.723 1.919 20 30 BDEDLO CC#CCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000157976736 385307827 /nfs/dbraw/zinc/30/78/27/385307827.db2.gz JPZIQCCTPKAZLJ-UHFFFAOYSA-N 1 2 225.723 1.919 20 30 BDEDLO Cc1ncccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000309008792 385359399 /nfs/dbraw/zinc/35/93/99/385359399.db2.gz OFGDUHIDRPMLKN-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ncccc1C[N@H+](C)C[C@@H](C)C#N ZINC000309008792 385359402 /nfs/dbraw/zinc/35/94/02/385359402.db2.gz OFGDUHIDRPMLKN-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000491673734 385441249 /nfs/dbraw/zinc/44/12/49/385441249.db2.gz JBKXLAQGTZGJSB-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000491673734 385441253 /nfs/dbraw/zinc/44/12/53/385441253.db2.gz JBKXLAQGTZGJSB-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccn1CC ZINC000294647034 533119727 /nfs/dbraw/zinc/11/97/27/533119727.db2.gz BGECZZPEQNYEBF-UHFFFAOYSA-N 1 2 200.285 1.576 20 30 BDEDLO Cc1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595612031 385634241 /nfs/dbraw/zinc/63/42/41/385634241.db2.gz RTPLALWEKGAONA-JTQLQIEISA-N 1 2 220.276 1.504 20 30 BDEDLO Cc1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595612031 385634246 /nfs/dbraw/zinc/63/42/46/385634246.db2.gz RTPLALWEKGAONA-JTQLQIEISA-N 1 2 220.276 1.504 20 30 BDEDLO Cn1cc(C[NH2+]C2(C(F)F)CC2)cc1C#N ZINC000309509113 385922361 /nfs/dbraw/zinc/92/23/61/385922361.db2.gz OMYXDJGVDXPINJ-UHFFFAOYSA-N 1 2 225.242 1.784 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@H](C)[C@@H](C)O1 ZINC000569587900 386001645 /nfs/dbraw/zinc/00/16/45/386001645.db2.gz CTIATIGZRUXHCP-IJLUTSLNSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@H](C)[C@@H](C)O1 ZINC000569587900 386001648 /nfs/dbraw/zinc/00/16/48/386001648.db2.gz CTIATIGZRUXHCP-IJLUTSLNSA-N 1 2 245.326 1.951 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1ccc(C#N)nn1 ZINC000301967060 386185170 /nfs/dbraw/zinc/18/51/70/386185170.db2.gz OQVXDHQCCAPLBF-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO C=CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000347317083 386357768 /nfs/dbraw/zinc/35/77/68/386357768.db2.gz QXDZOMNRKWIGIR-NSHDSACASA-N 1 2 248.330 1.699 20 30 BDEDLO C#CCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378233960 533170994 /nfs/dbraw/zinc/17/09/94/533170994.db2.gz WWKBRNLHVIJXAX-NSHDSACASA-N 1 2 246.314 1.001 20 30 BDEDLO Cc1cc(NC[C@H]2CCC[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000398996925 386410578 /nfs/dbraw/zinc/41/05/78/386410578.db2.gz PYKJPHVPWJRGJG-WCQYABFASA-N 1 2 245.326 1.647 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000320094074 386484802 /nfs/dbraw/zinc/48/48/02/386484802.db2.gz DKLQMJQWMRHRLB-SNVBAGLBSA-N 1 2 207.277 1.524 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000192230239 386487689 /nfs/dbraw/zinc/48/76/89/386487689.db2.gz KWRJAVBDAKALHY-UHFFFAOYSA-N 1 2 246.310 1.507 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000192230239 386487696 /nfs/dbraw/zinc/48/76/96/386487696.db2.gz KWRJAVBDAKALHY-UHFFFAOYSA-N 1 2 246.310 1.507 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192223183 386488227 /nfs/dbraw/zinc/48/82/27/386488227.db2.gz PZLGQQHCPUXCCG-UHFFFAOYSA-N 1 2 247.254 1.098 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192223183 386488236 /nfs/dbraw/zinc/48/82/36/386488236.db2.gz PZLGQQHCPUXCCG-UHFFFAOYSA-N 1 2 247.254 1.098 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000192237600 386488578 /nfs/dbraw/zinc/48/85/78/386488578.db2.gz HJQNENOJHGFSNS-UHFFFAOYSA-N 1 2 234.255 1.668 20 30 BDEDLO C#CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000192237600 386488584 /nfs/dbraw/zinc/48/85/84/386488584.db2.gz HJQNENOJHGFSNS-UHFFFAOYSA-N 1 2 234.255 1.668 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000408413853 386550526 /nfs/dbraw/zinc/55/05/26/386550526.db2.gz FFFJIPDXMCCHMX-WDEREUQCSA-N 1 2 246.314 1.206 20 30 BDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000644938017 386625487 /nfs/dbraw/zinc/62/54/87/386625487.db2.gz SCMLBJWOSSRVLN-QWRGUYRKSA-N 1 2 248.330 1.424 20 30 BDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000644938017 386625494 /nfs/dbraw/zinc/62/54/94/386625494.db2.gz SCMLBJWOSSRVLN-QWRGUYRKSA-N 1 2 248.330 1.424 20 30 BDEDLO C[C@@H]1C[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328871920 386638849 /nfs/dbraw/zinc/63/88/49/386638849.db2.gz QGPHIPXLGPUXNB-VWYCJHECSA-N 1 2 248.330 1.532 20 30 BDEDLO C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000328881979 386640130 /nfs/dbraw/zinc/64/01/30/386640130.db2.gz WTXANKAHVNSBLP-MFKMUULPSA-N 1 2 249.314 1.581 20 30 BDEDLO CCCN(CC#N)Cc1c[nH+]cn1CC ZINC000417731084 386613609 /nfs/dbraw/zinc/61/36/09/386613609.db2.gz FHQHGWHXLSQVEY-UHFFFAOYSA-N 1 2 206.293 1.639 20 30 BDEDLO Cc1[nH]c(C(=O)NC[C@H](C)C[C@H](C)O)c[nH+]1 ZINC000330437428 386694851 /nfs/dbraw/zinc/69/48/51/386694851.db2.gz BKHDRLZUVLLWLI-SFYZADRCSA-N 1 2 225.292 1.430 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)cnn1C ZINC000188486468 386750806 /nfs/dbraw/zinc/75/08/06/386750806.db2.gz ZQJCYRHUFXJQGH-MRVPVSSYSA-N 1 2 226.711 1.855 20 30 BDEDLO N#CCSCCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330576413 386796793 /nfs/dbraw/zinc/79/67/93/386796793.db2.gz OQUYFLSPNHIDGP-BDAKNGLRSA-N 1 2 245.323 1.581 20 30 BDEDLO N#CCSCCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330576413 386796798 /nfs/dbraw/zinc/79/67/98/386796798.db2.gz OQUYFLSPNHIDGP-BDAKNGLRSA-N 1 2 245.323 1.581 20 30 BDEDLO Cc1cc(NC[C@@]2(C)CCCO2)c(C#N)c[nH+]1 ZINC000399386110 386786075 /nfs/dbraw/zinc/78/60/75/386786075.db2.gz QLMANXSHNOEUKA-CYBMUJFWSA-N 1 2 231.299 1.665 20 30 BDEDLO C=C(CC)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000450907279 386828183 /nfs/dbraw/zinc/82/81/83/386828183.db2.gz FRNNXVCXSMCNST-UHFFFAOYSA-N 1 2 249.362 1.861 20 30 BDEDLO C=C(CC)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000450907279 386828189 /nfs/dbraw/zinc/82/81/89/386828189.db2.gz FRNNXVCXSMCNST-UHFFFAOYSA-N 1 2 249.362 1.861 20 30 BDEDLO C(#Cc1ccccc1)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335761880 386900773 /nfs/dbraw/zinc/90/07/73/386900773.db2.gz WOFCYBTYSPGTQB-GASCZTMLSA-N 1 2 227.307 1.901 20 30 BDEDLO C(#Cc1ccccc1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335761880 386900779 /nfs/dbraw/zinc/90/07/79/386900779.db2.gz WOFCYBTYSPGTQB-GASCZTMLSA-N 1 2 227.307 1.901 20 30 BDEDLO Cc1cc(N(C)C[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000399517350 386922704 /nfs/dbraw/zinc/92/27/04/386922704.db2.gz NNLOBCYBSIDJQW-GFCCVEGCSA-N 1 2 231.299 1.877 20 30 BDEDLO Cc1cc(N2CCCO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399528487 386956362 /nfs/dbraw/zinc/95/63/62/386956362.db2.gz QZSDORCFMNDIST-LLVKDONJSA-N 1 2 231.299 1.877 20 30 BDEDLO CCC1(CC)[C@H]([NH2+]CC#N)[C@@H](C)[C@@H]1OC ZINC000191412368 386948863 /nfs/dbraw/zinc/94/88/63/386948863.db2.gz YZHWPZPEYJPYLO-MXWKQRLJSA-N 1 2 210.321 1.939 20 30 BDEDLO Cc1cc(NCC2([S@@](C)=O)CC2)c(C#N)c[nH+]1 ZINC000399591562 387032911 /nfs/dbraw/zinc/03/29/11/387032911.db2.gz QVFGHEYNAYMXID-QGZVFWFLSA-N 1 2 249.339 1.007 20 30 BDEDLO CCOC(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000399570521 387020336 /nfs/dbraw/zinc/02/03/36/387020336.db2.gz ILMPDZYVQKFYGZ-UHFFFAOYSA-N 1 2 233.271 1.049 20 30 BDEDLO Cn1ccnc1[C@H]([NH2+]CCC#N)C1CC1 ZINC000519143163 387020557 /nfs/dbraw/zinc/02/05/57/387020557.db2.gz LYPLJXNRPTZXRK-SNVBAGLBSA-N 1 2 204.277 1.374 20 30 BDEDLO Cn1cc[nH+]c1[C@H](NCCC#N)C1CC1 ZINC000519143163 387020560 /nfs/dbraw/zinc/02/05/60/387020560.db2.gz LYPLJXNRPTZXRK-SNVBAGLBSA-N 1 2 204.277 1.374 20 30 BDEDLO N#C[C@@H]1CCC[C@H]([NH2+]CC(F)(F)CO)C1 ZINC000193296453 387193264 /nfs/dbraw/zinc/19/32/64/387193264.db2.gz PHJFATGCYIPYIJ-BDAKNGLRSA-N 1 2 218.247 1.286 20 30 BDEDLO C=C(C)C[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193247822 387186370 /nfs/dbraw/zinc/18/63/70/387186370.db2.gz BXWFKLNXRJCELH-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C=CCC1(C(=O)NCc2[nH]cc[nH+]2)CCOCC1 ZINC000424664604 387241555 /nfs/dbraw/zinc/24/15/55/387241555.db2.gz MJYGXAPHDPRWKN-UHFFFAOYSA-N 1 2 249.314 1.399 20 30 BDEDLO CCN(CCC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000514942860 387310613 /nfs/dbraw/zinc/31/06/13/387310613.db2.gz UOSUVMVHHHMBKK-NSHDSACASA-N 1 2 234.303 1.596 20 30 BDEDLO N#CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000514787951 387286312 /nfs/dbraw/zinc/28/63/12/387286312.db2.gz AOTJRQQQYFYGTK-ZDUSSCGKSA-N 1 2 243.310 1.291 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2cnccn2)cc1C#N ZINC000191282402 387367183 /nfs/dbraw/zinc/36/71/83/387367183.db2.gz HCQJXDHGZSOWKH-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2cnccn2)cc1C#N ZINC000191282402 387367188 /nfs/dbraw/zinc/36/71/88/387367188.db2.gz HCQJXDHGZSOWKH-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000525950172 387325881 /nfs/dbraw/zinc/32/58/81/387325881.db2.gz FJBGPFMZPRMLTP-CYBMUJFWSA-N 1 2 233.315 1.869 20 30 BDEDLO C=C1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC000336505471 387332509 /nfs/dbraw/zinc/33/25/09/387332509.db2.gz AXBVFMMKTRBMGI-SNVBAGLBSA-N 1 2 206.293 1.528 20 30 BDEDLO Cc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000515833649 387432990 /nfs/dbraw/zinc/43/29/90/387432990.db2.gz JHEWXQXTFOYYSU-AWEZNQCLSA-N 1 2 247.342 1.613 20 30 BDEDLO Cc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000515833649 387432993 /nfs/dbraw/zinc/43/29/93/387432993.db2.gz JHEWXQXTFOYYSU-AWEZNQCLSA-N 1 2 247.342 1.613 20 30 BDEDLO C[C@H](CCC#N)[N@H+](C)Cc1nccn1C ZINC000515654946 387413297 /nfs/dbraw/zinc/41/32/97/387413297.db2.gz CNMXVVWMWKEJCJ-SNVBAGLBSA-N 1 2 206.293 1.544 20 30 BDEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nccn1C ZINC000515654946 387413300 /nfs/dbraw/zinc/41/33/00/387413300.db2.gz CNMXVVWMWKEJCJ-SNVBAGLBSA-N 1 2 206.293 1.544 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000276734988 387526738 /nfs/dbraw/zinc/52/67/38/387526738.db2.gz CCPUUVXGPPWQKB-QMMMGPOBSA-N 1 2 212.684 1.407 20 30 BDEDLO C=C(Cl)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000276734988 387526742 /nfs/dbraw/zinc/52/67/42/387526742.db2.gz CCPUUVXGPPWQKB-QMMMGPOBSA-N 1 2 212.684 1.407 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000042449485 387629450 /nfs/dbraw/zinc/62/94/50/387629450.db2.gz AIKKUEIBFFUKBS-RYUDHWBXSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449485 387629456 /nfs/dbraw/zinc/62/94/56/387629456.db2.gz AIKKUEIBFFUKBS-RYUDHWBXSA-N 1 2 239.363 1.773 20 30 BDEDLO C=CC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000440708575 387676004 /nfs/dbraw/zinc/67/60/04/387676004.db2.gz FSXZVTCIRQPZIJ-UHFFFAOYSA-N 1 2 238.310 1.646 20 30 BDEDLO CO[C@@H](CNc1cc(C)[nH+]cc1C#N)C1CC1 ZINC000399497327 387743854 /nfs/dbraw/zinc/74/38/54/387743854.db2.gz ILUUHVRXWHQZQR-ZDUSSCGKSA-N 1 2 231.299 1.521 20 30 BDEDLO Cc1nnsc1CNc1cc(C)[nH+]cc1C#N ZINC000399486042 387709482 /nfs/dbraw/zinc/70/94/82/387709482.db2.gz FLCCWSQKKJUMNG-UHFFFAOYSA-N 1 2 245.311 1.456 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000564015387 387729773 /nfs/dbraw/zinc/72/97/73/387729773.db2.gz NOXOCRWASONWAL-UHFFFAOYSA-N 1 2 232.287 1.035 20 30 BDEDLO Cc1cc(NC(=O)NCC2(CC#N)CC2)cc[nH+]1 ZINC000432267883 387778808 /nfs/dbraw/zinc/77/88/08/387778808.db2.gz BSRWLUFLQVPQJZ-UHFFFAOYSA-N 1 2 244.298 1.627 20 30 BDEDLO C=CC(C)(C)CCNc1nc[nH+]c(N)c1OC ZINC000528075924 387835915 /nfs/dbraw/zinc/83/59/15/387835915.db2.gz VZLQRTTZGXUMHS-UHFFFAOYSA-N 1 2 236.319 1.504 20 30 BDEDLO C=CC(C)(C)CCNc1[nH+]cnc(N)c1OC ZINC000528075924 387835924 /nfs/dbraw/zinc/83/59/24/387835924.db2.gz VZLQRTTZGXUMHS-UHFFFAOYSA-N 1 2 236.319 1.504 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccncc2)nn1 ZINC000424169338 387861807 /nfs/dbraw/zinc/86/18/07/387861807.db2.gz HYPYIMYXUPCIJS-UHFFFAOYSA-N 1 2 229.287 1.149 20 30 BDEDLO CCN(C[C@@H](C)C#N)[C@H](C)C[NH+]1CCOCC1 ZINC000246172098 388016350 /nfs/dbraw/zinc/01/63/50/388016350.db2.gz VKEYJXDDIYRQQJ-QWHCGFSZSA-N 1 2 239.363 1.189 20 30 BDEDLO C=CC[C@@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000440655693 388064678 /nfs/dbraw/zinc/06/46/78/388064678.db2.gz QGNVLRGNUPEHDR-SNVBAGLBSA-N 1 2 235.335 1.435 20 30 BDEDLO C=CC[C@@H](CC)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000440655693 388064681 /nfs/dbraw/zinc/06/46/81/388064681.db2.gz QGNVLRGNUPEHDR-SNVBAGLBSA-N 1 2 235.335 1.435 20 30 BDEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nncn1C ZINC000037016858 388085016 /nfs/dbraw/zinc/08/50/16/388085016.db2.gz ZDTYXSZOJQEWFJ-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454654134 388128417 /nfs/dbraw/zinc/12/84/17/388128417.db2.gz BGMAUQOYSRWHLM-VHSXEESVSA-N 1 2 236.319 1.838 20 30 BDEDLO C=C(CC)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000455034118 388145542 /nfs/dbraw/zinc/14/55/42/388145542.db2.gz FLBZKAFSZJHFQR-UHFFFAOYSA-N 1 2 219.288 1.900 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000488857547 388197455 /nfs/dbraw/zinc/19/74/55/388197455.db2.gz QJHIPOGBHNRLHR-LBPRGKRZSA-N 1 2 233.315 1.840 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccnc(OC)c1 ZINC000490900593 388259479 /nfs/dbraw/zinc/25/94/79/388259479.db2.gz WPUYXRBHNLCXQM-UHFFFAOYSA-N 1 2 214.268 1.159 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(COC)o1 ZINC000490915792 388259514 /nfs/dbraw/zinc/25/95/14/388259514.db2.gz PUNKELNQALVTPL-UHFFFAOYSA-N 1 2 231.295 1.885 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(COC)o1 ZINC000490915792 388259515 /nfs/dbraw/zinc/25/95/15/388259515.db2.gz PUNKELNQALVTPL-UHFFFAOYSA-N 1 2 231.295 1.885 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000449521241 388223267 /nfs/dbraw/zinc/22/32/67/388223267.db2.gz RJUBXIXGZVDION-MNOVXSKESA-N 1 2 207.277 1.151 20 30 BDEDLO C#C[C@@H]1COCCN1c1cc[nH+]c(C(C)C)n1 ZINC000491264844 388281190 /nfs/dbraw/zinc/28/11/90/388281190.db2.gz IHOCGKPLIBQIKI-LLVKDONJSA-N 1 2 231.299 1.438 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000451605464 388283370 /nfs/dbraw/zinc/28/33/70/388283370.db2.gz KNBKXWQKKACKIP-MXWKQRLJSA-N 1 2 241.331 1.650 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000491308789 388284482 /nfs/dbraw/zinc/28/44/82/388284482.db2.gz WCLYOYQYNCWJCC-UHFFFAOYSA-N 1 2 219.313 1.858 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000491308789 388284484 /nfs/dbraw/zinc/28/44/84/388284484.db2.gz WCLYOYQYNCWJCC-UHFFFAOYSA-N 1 2 219.313 1.858 20 30 BDEDLO C#CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491360015 388288266 /nfs/dbraw/zinc/28/82/66/388288266.db2.gz CGFSYMCTMIYQJP-UHFFFAOYSA-N 1 2 210.258 1.721 20 30 BDEDLO C#CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491360015 388288267 /nfs/dbraw/zinc/28/82/67/388288267.db2.gz CGFSYMCTMIYQJP-UHFFFAOYSA-N 1 2 210.258 1.721 20 30 BDEDLO C#C[C@@H](CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000491362598 388288607 /nfs/dbraw/zinc/28/86/07/388288607.db2.gz SXYAMTZYOPHBLG-NSHDSACASA-N 1 2 227.267 1.476 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000451685513 388289926 /nfs/dbraw/zinc/28/99/26/388289926.db2.gz ZTGFTDQADOSIDU-MNOVXSKESA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000491396520 388292073 /nfs/dbraw/zinc/29/20/73/388292073.db2.gz YLFUQMGRNVQQEM-HNNXBMFYSA-N 1 2 240.306 1.587 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000491396520 388292074 /nfs/dbraw/zinc/29/20/74/388292074.db2.gz YLFUQMGRNVQQEM-HNNXBMFYSA-N 1 2 240.306 1.587 20 30 BDEDLO C=C(C)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000451831152 388298936 /nfs/dbraw/zinc/29/89/36/388298936.db2.gz JXPRGKCCPFDQCY-VIFPVBQESA-N 1 2 207.264 1.901 20 30 BDEDLO C=C(C)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451831152 388298937 /nfs/dbraw/zinc/29/89/37/388298937.db2.gz JXPRGKCCPFDQCY-VIFPVBQESA-N 1 2 207.264 1.901 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCCCCC)C1CC1 ZINC000491523666 388301243 /nfs/dbraw/zinc/30/12/43/388301243.db2.gz GJRYAISNMXINST-UHFFFAOYSA-N 1 2 222.332 1.390 20 30 BDEDLO C#CC[N@H+](CC(=O)NCCCCC)C1CC1 ZINC000491523666 388301244 /nfs/dbraw/zinc/30/12/44/388301244.db2.gz GJRYAISNMXINST-UHFFFAOYSA-N 1 2 222.332 1.390 20 30 BDEDLO C#CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491565572 388303834 /nfs/dbraw/zinc/30/38/34/388303834.db2.gz AJOFVVHMDIJAGZ-LLVKDONJSA-N 1 2 219.288 1.316 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000491644067 388307681 /nfs/dbraw/zinc/30/76/81/388307681.db2.gz INCRDHGHDCDEAF-ZIAGYGMSSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000491644067 388307682 /nfs/dbraw/zinc/30/76/82/388307682.db2.gz INCRDHGHDCDEAF-ZIAGYGMSSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cc(C)cnc1=S ZINC000491697137 388311972 /nfs/dbraw/zinc/31/19/72/388311972.db2.gz GIYWPIHGEBXUBD-JTQLQIEISA-N 1 2 221.329 1.832 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(C)cnc1=S ZINC000491697137 388311973 /nfs/dbraw/zinc/31/19/73/388311973.db2.gz GIYWPIHGEBXUBD-JTQLQIEISA-N 1 2 221.329 1.832 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491750422 388317519 /nfs/dbraw/zinc/31/75/19/388317519.db2.gz RYJKCYBQPLMLGL-VHSXEESVSA-N 1 2 219.288 1.068 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491750422 388317520 /nfs/dbraw/zinc/31/75/20/388317520.db2.gz RYJKCYBQPLMLGL-VHSXEESVSA-N 1 2 219.288 1.068 20 30 BDEDLO C#CC[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000491755133 388318075 /nfs/dbraw/zinc/31/80/75/388318075.db2.gz YGADUICKHHGSCX-UHFFFAOYSA-N 1 2 248.326 1.047 20 30 BDEDLO C#CC[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000491755133 388318076 /nfs/dbraw/zinc/31/80/76/388318076.db2.gz YGADUICKHHGSCX-UHFFFAOYSA-N 1 2 248.326 1.047 20 30 BDEDLO C#CCN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000491755133 388318077 /nfs/dbraw/zinc/31/80/77/388318077.db2.gz YGADUICKHHGSCX-UHFFFAOYSA-N 1 2 248.326 1.047 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCOc1ccccc1 ZINC000491772740 388319255 /nfs/dbraw/zinc/31/92/55/388319255.db2.gz AHZCBWQTTHQDQV-AWEZNQCLSA-N 1 2 245.322 1.790 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCOc1ccccc1 ZINC000491772740 388319256 /nfs/dbraw/zinc/31/92/56/388319256.db2.gz AHZCBWQTTHQDQV-AWEZNQCLSA-N 1 2 245.322 1.790 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)NCc1c[nH+]ccc1OC ZINC000491777072 388319786 /nfs/dbraw/zinc/31/97/86/388319786.db2.gz HFUITTSMRNZROU-SNVBAGLBSA-N 1 2 247.298 1.253 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn2ccsc2n1 ZINC000491781106 388320353 /nfs/dbraw/zinc/32/03/53/388320353.db2.gz FVAHCFHEUXLFPQ-VIFPVBQESA-N 1 2 219.313 1.849 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn2ccsc2n1 ZINC000491781106 388320354 /nfs/dbraw/zinc/32/03/54/388320354.db2.gz FVAHCFHEUXLFPQ-VIFPVBQESA-N 1 2 219.313 1.849 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000491782913 388320643 /nfs/dbraw/zinc/32/06/43/388320643.db2.gz OKJFFEJJPUBLAF-NSHDSACASA-N 1 2 231.299 1.606 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000491807697 388322111 /nfs/dbraw/zinc/32/21/11/388322111.db2.gz SSASAKCQDFIZMX-JTQLQIEISA-N 1 2 222.332 1.544 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000491807697 388322112 /nfs/dbraw/zinc/32/21/12/388322112.db2.gz SSASAKCQDFIZMX-JTQLQIEISA-N 1 2 222.332 1.544 20 30 BDEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000491812282 388322859 /nfs/dbraw/zinc/32/28/59/388322859.db2.gz HGGBHXSUTCKLAB-NSHDSACASA-N 1 2 222.332 1.245 20 30 BDEDLO C#CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000491812282 388322860 /nfs/dbraw/zinc/32/28/60/388322860.db2.gz HGGBHXSUTCKLAB-NSHDSACASA-N 1 2 222.332 1.245 20 30 BDEDLO CC1(C#N)CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000227352514 388360623 /nfs/dbraw/zinc/36/06/23/388360623.db2.gz UZKCSKOAUOUTFA-UHFFFAOYSA-N 1 2 235.331 1.138 20 30 BDEDLO Cc1noc(C)c1C[NH2+]CC(C)(C)C#N ZINC000164690531 388396536 /nfs/dbraw/zinc/39/65/36/388396536.db2.gz SYEJLKMEOVYAKZ-UHFFFAOYSA-N 1 2 207.277 1.931 20 30 BDEDLO C=CCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000524811950 388410644 /nfs/dbraw/zinc/41/06/44/388410644.db2.gz VHTLKPFWRUPPFL-SNVBAGLBSA-N 1 2 229.345 1.543 20 30 BDEDLO C=CCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000524811950 388410649 /nfs/dbraw/zinc/41/06/49/388410649.db2.gz VHTLKPFWRUPPFL-SNVBAGLBSA-N 1 2 229.345 1.543 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000517172447 388541141 /nfs/dbraw/zinc/54/11/41/388541141.db2.gz WORSMKCQPDBQIB-JTQLQIEISA-N 1 2 234.303 1.350 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000517172447 388541144 /nfs/dbraw/zinc/54/11/44/388541144.db2.gz WORSMKCQPDBQIB-JTQLQIEISA-N 1 2 234.303 1.350 20 30 BDEDLO C=CCCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000648901910 388486537 /nfs/dbraw/zinc/48/65/37/388486537.db2.gz NUHCTSMAJKAGQD-UHFFFAOYSA-N 1 2 234.303 1.170 20 30 BDEDLO C=CC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000564335510 388497809 /nfs/dbraw/zinc/49/78/09/388497809.db2.gz QVOOHWOUDNRXLR-UTUOFQBUSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CCCCC(=O)NCCc1c[nH+]cn1C ZINC000548132374 388516093 /nfs/dbraw/zinc/51/60/93/388516093.db2.gz NSYSVWZASOQEEI-UHFFFAOYSA-N 1 2 221.304 1.435 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(O)cc(F)c1 ZINC000186231513 388597418 /nfs/dbraw/zinc/59/74/18/388597418.db2.gz JUJXQSTYDCELSE-UHFFFAOYSA-N 1 2 217.243 1.600 20 30 BDEDLO C[C@@H](O)[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356416125 388607322 /nfs/dbraw/zinc/60/73/22/388607322.db2.gz DJGCVOSKMDMJSD-BDAKNGLRSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356416125 388607324 /nfs/dbraw/zinc/60/73/24/388607324.db2.gz DJGCVOSKMDMJSD-BDAKNGLRSA-N 1 2 237.328 1.217 20 30 BDEDLO Cc1cc(NC(=O)C(C)(C)C#N)cc[nH+]1 ZINC000080266116 388555947 /nfs/dbraw/zinc/55/59/47/388555947.db2.gz JZKBPGYZQPGZCC-UHFFFAOYSA-N 1 2 203.245 1.878 20 30 BDEDLO C=C(CC)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000539105063 388748377 /nfs/dbraw/zinc/74/83/77/388748377.db2.gz NAHBZFYOQWVHQU-UHFFFAOYSA-N 1 2 220.320 1.622 20 30 BDEDLO C=C(CC)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000539105063 388748380 /nfs/dbraw/zinc/74/83/80/388748380.db2.gz NAHBZFYOQWVHQU-UHFFFAOYSA-N 1 2 220.320 1.622 20 30 BDEDLO COC(=O)C1(C)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425285456 388703292 /nfs/dbraw/zinc/70/32/92/388703292.db2.gz SHKICLFKEYEZEK-UHFFFAOYSA-N 1 2 245.282 1.261 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cccnc1OC ZINC000193579339 388709616 /nfs/dbraw/zinc/70/96/16/388709616.db2.gz HRCVTQOWLXTSJT-UHFFFAOYSA-N 1 2 236.315 1.725 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cccnc1OC ZINC000193579339 388709619 /nfs/dbraw/zinc/70/96/19/388709619.db2.gz HRCVTQOWLXTSJT-UHFFFAOYSA-N 1 2 236.315 1.725 20 30 BDEDLO N#Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080606708 388712296 /nfs/dbraw/zinc/71/22/96/388712296.db2.gz IWSPWFSJCGEBLP-UHFFFAOYSA-N 1 2 241.254 1.603 20 30 BDEDLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330379843 388756388 /nfs/dbraw/zinc/75/63/88/388756388.db2.gz GZEXGSCXQOGYJX-RISCZKNCSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330379843 388756391 /nfs/dbraw/zinc/75/63/91/388756391.db2.gz GZEXGSCXQOGYJX-RISCZKNCSA-N 1 2 246.310 1.312 20 30 BDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127592968 388727054 /nfs/dbraw/zinc/72/70/54/388727054.db2.gz BRLFIEOKNYLNTF-LLVKDONJSA-N 1 2 238.331 1.561 20 30 BDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127592968 388727057 /nfs/dbraw/zinc/72/70/57/388727057.db2.gz BRLFIEOKNYLNTF-LLVKDONJSA-N 1 2 238.331 1.561 20 30 BDEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ncn(C)n1 ZINC000391954303 388787617 /nfs/dbraw/zinc/78/76/17/388787617.db2.gz VLYDUKSLZFMIRD-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ncon2)C1 ZINC000555335201 388844697 /nfs/dbraw/zinc/84/46/97/388844697.db2.gz AYWOZTBCPWMGBX-OUAUKWLOSA-N 1 2 232.287 1.899 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ncon2)C1 ZINC000555335201 388844699 /nfs/dbraw/zinc/84/46/99/388844699.db2.gz AYWOZTBCPWMGBX-OUAUKWLOSA-N 1 2 232.287 1.899 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523698503 388855061 /nfs/dbraw/zinc/85/50/61/388855061.db2.gz UPLXJRZWAXPHSH-NSHDSACASA-N 1 2 249.314 1.248 20 30 BDEDLO CC#CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000541851536 388870017 /nfs/dbraw/zinc/87/00/17/388870017.db2.gz VMWQAXWYEDLFNY-UHFFFAOYSA-N 1 2 229.327 1.911 20 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20 30 BDEDLO Cc1ccnc(C[NH+]2CCC(C#N)CC2)n1 ZINC000407998112 133459970 /nfs/dbraw/zinc/45/99/70/133459970.db2.gz MAUHLUMRVTZEEP-UHFFFAOYSA-N 1 2 216.288 1.521 20 30 BDEDLO N#CCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332713320 134008833 /nfs/dbraw/zinc/00/88/33/134008833.db2.gz ZVUQKIWDYAQUGP-UHFFFAOYSA-N 1 2 246.270 1.652 20 30 BDEDLO N#CCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332713320 134008834 /nfs/dbraw/zinc/00/88/34/134008834.db2.gz ZVUQKIWDYAQUGP-UHFFFAOYSA-N 1 2 246.270 1.652 20 30 BDEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000336304997 134143041 /nfs/dbraw/zinc/14/30/41/134143041.db2.gz ZVZXBZXCTJMNAC-TVQRCGJNSA-N 1 2 244.298 1.708 20 30 BDEDLO CC[C@@H]1C[N@H+](CCCC#N)C[C@H](C)[S@@]1=O ZINC000352878782 134156496 /nfs/dbraw/zinc/15/64/96/134156496.db2.gz USDPNUWVBNLMJV-RWSFTLGLSA-N 1 2 228.361 1.522 20 30 BDEDLO CC[C@@H]1C[N@@H+](CCCC#N)C[C@H](C)[S@@]1=O ZINC000352878782 134156497 /nfs/dbraw/zinc/15/64/97/134156497.db2.gz USDPNUWVBNLMJV-RWSFTLGLSA-N 1 2 228.361 1.522 20 30 BDEDLO Cc1cc(N2CC(O)(CC#N)C2)nc(C(C)C)[nH+]1 ZINC000302595856 134157881 /nfs/dbraw/zinc/15/78/81/134157881.db2.gz XHXYFOCMBUYDAZ-UHFFFAOYSA-N 1 2 246.314 1.373 20 30 BDEDLO Cc1cnc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354034793 134166250 /nfs/dbraw/zinc/16/62/50/134166250.db2.gz CHAQHMMPWWVXGH-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO Cc1cnc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354034793 134166251 /nfs/dbraw/zinc/16/62/51/134166251.db2.gz CHAQHMMPWWVXGH-UHFFFAOYSA-N 1 2 218.304 1.767 20 30 BDEDLO C=C(C)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360609571 134201415 /nfs/dbraw/zinc/20/14/15/134201415.db2.gz DRKOBVPOBSZQDL-UHFFFAOYSA-N 1 2 230.311 1.911 20 30 BDEDLO C=C(C)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360609571 134201416 /nfs/dbraw/zinc/20/14/16/134201416.db2.gz DRKOBVPOBSZQDL-UHFFFAOYSA-N 1 2 230.311 1.911 20 30 BDEDLO C[C@H](C#N)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000368253705 134217893 /nfs/dbraw/zinc/21/78/93/134217893.db2.gz MOXGCDQXCIWLMY-GHMZBOCLSA-N 1 2 218.304 1.197 20 30 BDEDLO C[C@H](C#N)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000368253705 134217894 /nfs/dbraw/zinc/21/78/94/134217894.db2.gz MOXGCDQXCIWLMY-GHMZBOCLSA-N 1 2 218.304 1.197 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000368512790 134218738 /nfs/dbraw/zinc/21/87/38/134218738.db2.gz XJQVMSIIZTWTAP-RYUDHWBXSA-N 1 2 224.304 1.170 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000368512790 134218739 /nfs/dbraw/zinc/21/87/39/134218739.db2.gz XJQVMSIIZTWTAP-RYUDHWBXSA-N 1 2 224.304 1.170 20 30 BDEDLO C=CCC[N@H+]1CCN(c2ccc(C)o2)C(=O)C1 ZINC000368673565 134219700 /nfs/dbraw/zinc/21/97/00/134219700.db2.gz HODNOPSZFSHABE-UHFFFAOYSA-N 1 2 234.299 1.813 20 30 BDEDLO C=CCC[N@@H+]1CCN(c2ccc(C)o2)C(=O)C1 ZINC000368673565 134219701 /nfs/dbraw/zinc/21/97/01/134219701.db2.gz HODNOPSZFSHABE-UHFFFAOYSA-N 1 2 234.299 1.813 20 30 BDEDLO C[C@H]1OCC[C@]12C[N@H+](CCC#N)C[C@@H](C)O2 ZINC000369299763 134222232 /nfs/dbraw/zinc/22/22/32/134222232.db2.gz WCDUSGWKOCZVGZ-UTUOFQBUSA-N 1 2 224.304 1.168 20 30 BDEDLO C[C@H]1OCC[C@]12C[N@@H+](CCC#N)C[C@@H](C)O2 ZINC000369299763 134222233 /nfs/dbraw/zinc/22/22/33/134222233.db2.gz WCDUSGWKOCZVGZ-UTUOFQBUSA-N 1 2 224.304 1.168 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)C(F)(F)F ZINC000225430652 134353727 /nfs/dbraw/zinc/35/37/27/134353727.db2.gz JVTUHBVFSOQKBQ-JGVFFNPUSA-N 1 2 224.226 1.391 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)C(F)(F)F ZINC000225430652 134353728 /nfs/dbraw/zinc/35/37/28/134353728.db2.gz JVTUHBVFSOQKBQ-JGVFFNPUSA-N 1 2 224.226 1.391 20 30 BDEDLO COC[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000234693143 134384882 /nfs/dbraw/zinc/38/48/82/134384882.db2.gz KWPIEQUCQOJDGB-GFCCVEGCSA-N 1 2 204.273 1.877 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)CO1 ZINC000248824317 135023082 /nfs/dbraw/zinc/02/30/82/135023082.db2.gz GMBQVPOZVCEVKX-WDEREUQCSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)CO1 ZINC000248824317 135023085 /nfs/dbraw/zinc/02/30/85/135023085.db2.gz GMBQVPOZVCEVKX-WDEREUQCSA-N 1 2 233.315 1.506 20 30 BDEDLO CC[N@H+](CCCC#N)[C@H](C)CS(C)(=O)=O ZINC000112704028 135027963 /nfs/dbraw/zinc/02/79/63/135027963.db2.gz ZZESGQJGKOOTQK-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO CC[N@@H+](CCCC#N)[C@H](C)CS(C)(=O)=O ZINC000112704028 135027964 /nfs/dbraw/zinc/02/79/64/135027964.db2.gz ZZESGQJGKOOTQK-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO OC[C@@]1(F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000338589142 135042040 /nfs/dbraw/zinc/04/20/40/135042040.db2.gz PPOZVBCPBGFPPA-CQSZACIVSA-N 1 2 233.286 1.444 20 30 BDEDLO OC[C@@]1(F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000338589142 135042043 /nfs/dbraw/zinc/04/20/43/135042043.db2.gz PPOZVBCPBGFPPA-CQSZACIVSA-N 1 2 233.286 1.444 20 30 BDEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000251128504 135064308 /nfs/dbraw/zinc/06/43/08/135064308.db2.gz SUWIZHSWUASTKX-VXGBXAGGSA-N 1 2 237.347 1.479 20 30 BDEDLO C[C@H](C(=O)N1CCCCC1)[N@H+](C)C[C@H](C)C#N ZINC000251128504 135064309 /nfs/dbraw/zinc/06/43/09/135064309.db2.gz SUWIZHSWUASTKX-VXGBXAGGSA-N 1 2 237.347 1.479 20 30 BDEDLO C=CCOCC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000339192546 135064785 /nfs/dbraw/zinc/06/47/85/135064785.db2.gz SIFIXFKKXDIYIS-HWWQOWPSSA-N 1 2 245.388 1.420 20 30 BDEDLO C=CCOCC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000339192546 135064787 /nfs/dbraw/zinc/06/47/87/135064787.db2.gz SIFIXFKKXDIYIS-HWWQOWPSSA-N 1 2 245.388 1.420 20 30 BDEDLO C=CCOCC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000339192547 135065164 /nfs/dbraw/zinc/06/51/64/135065164.db2.gz SIFIXFKKXDIYIS-MKBNYLNASA-N 1 2 245.388 1.420 20 30 BDEDLO C=CCOCC[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000339192547 135065166 /nfs/dbraw/zinc/06/51/66/135065166.db2.gz SIFIXFKKXDIYIS-MKBNYLNASA-N 1 2 245.388 1.420 20 30 BDEDLO CC[N@H+](CCCC#N)[C@H](C)CS(=O)(=O)CC ZINC000113000462 135088434 /nfs/dbraw/zinc/08/84/34/135088434.db2.gz WMNSDMNIBPLFSP-LLVKDONJSA-N 1 2 246.376 1.435 20 30 BDEDLO CC[N@@H+](CCCC#N)[C@H](C)CS(=O)(=O)CC ZINC000113000462 135088435 /nfs/dbraw/zinc/08/84/35/135088435.db2.gz WMNSDMNIBPLFSP-LLVKDONJSA-N 1 2 246.376 1.435 20 30 BDEDLO COc1ccc(C[NH2+]CCC#N)cc1[N+](=O)[O-] ZINC000339985995 135093178 /nfs/dbraw/zinc/09/31/78/135093178.db2.gz RCXMNVZZOXPHKD-UHFFFAOYSA-N 1 2 235.243 1.607 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253102718 135122062 /nfs/dbraw/zinc/12/20/62/135122062.db2.gz YFNODHZZOLRXDS-IJLUTSLNSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253102718 135122063 /nfs/dbraw/zinc/12/20/63/135122063.db2.gz YFNODHZZOLRXDS-IJLUTSLNSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253102720 135122273 /nfs/dbraw/zinc/12/22/73/135122273.db2.gz YFNODHZZOLRXDS-QJPTWQEYSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253102720 135122274 /nfs/dbraw/zinc/12/22/74/135122274.db2.gz YFNODHZZOLRXDS-QJPTWQEYSA-N 1 2 208.305 1.525 20 30 BDEDLO C[C@H](CC#N)N(C)c1[nH+]cnc2[nH]ccc21 ZINC000267435948 135154135 /nfs/dbraw/zinc/15/41/35/135154135.db2.gz XUVYMSILWRTGEL-MRVPVSSYSA-N 1 2 215.260 1.696 20 30 BDEDLO CCOC(=O)C[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000087594745 135159009 /nfs/dbraw/zinc/15/90/09/135159009.db2.gz GORKITFEFQTWAV-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO CCOC(=O)C[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000087594745 135159010 /nfs/dbraw/zinc/15/90/10/135159010.db2.gz GORKITFEFQTWAV-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO Cc1ccncc1C[N@@H+](C)C[C@@H](C)C#N ZINC000269589410 135165411 /nfs/dbraw/zinc/16/54/11/135165411.db2.gz RWARFPZUTXLZLY-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccncc1C[N@H+](C)C[C@@H](C)C#N ZINC000269589410 135165412 /nfs/dbraw/zinc/16/54/12/135165412.db2.gz RWARFPZUTXLZLY-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCC#N ZINC000292772420 135178605 /nfs/dbraw/zinc/17/86/05/135178605.db2.gz WWBCOCZHNBYCPM-SNVBAGLBSA-N 1 2 220.276 1.082 20 30 BDEDLO CCC[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000294970217 135188013 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/nfs/dbraw/zinc/33/47/34/135334734.db2.gz CRMCEWKBCMGGPL-LLVKDONJSA-N 1 2 206.289 1.401 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000334297048 135334735 /nfs/dbraw/zinc/33/47/35/135334735.db2.gz CRMCEWKBCMGGPL-LLVKDONJSA-N 1 2 206.289 1.401 20 30 BDEDLO N#CC1(NC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC000263694092 135360832 /nfs/dbraw/zinc/36/08/32/135360832.db2.gz JBDRAIRFDWXOAA-UHFFFAOYSA-N 1 2 246.314 1.616 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000348016656 136022030 /nfs/dbraw/zinc/02/20/30/136022030.db2.gz YRLHSYXLZAAVOV-IUCAKERBSA-N 1 2 218.260 1.233 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335557074 136099955 /nfs/dbraw/zinc/09/99/55/136099955.db2.gz DZJQPANRNGTBKF-SNVBAGLBSA-N 1 2 219.288 1.138 20 30 BDEDLO Cc1noc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000594056357 397966446 /nfs/dbraw/zinc/96/64/46/397966446.db2.gz VLSDYOVYNGSWDX-VHSXEESVSA-N 1 2 220.276 1.502 20 30 BDEDLO Cc1noc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000594056357 397966449 /nfs/dbraw/zinc/96/64/49/397966449.db2.gz VLSDYOVYNGSWDX-VHSXEESVSA-N 1 2 220.276 1.502 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn2ccccc12 ZINC000271130670 397962710 /nfs/dbraw/zinc/96/27/10/397962710.db2.gz NYRVVUVKIPORPN-NSHDSACASA-N 1 2 228.299 1.926 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn2ccccc12 ZINC000271130670 397962711 /nfs/dbraw/zinc/96/27/11/397962711.db2.gz NYRVVUVKIPORPN-NSHDSACASA-N 1 2 228.299 1.926 20 30 BDEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1C ZINC000595611884 397992255 /nfs/dbraw/zinc/99/22/55/397992255.db2.gz OKOZIDPSKWCBRU-NSHDSACASA-N 1 2 233.319 1.249 20 30 BDEDLO Cc1nnc(C[N@H+]2CCC[C@@H](CC#N)C2)n1C ZINC000595611884 397992257 /nfs/dbraw/zinc/99/22/57/397992257.db2.gz OKOZIDPSKWCBRU-NSHDSACASA-N 1 2 233.319 1.249 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000034652481 398014586 /nfs/dbraw/zinc/01/45/86/398014586.db2.gz XQHPTLTVFSCSRU-UHFFFAOYSA-N 1 2 229.283 1.783 20 30 BDEDLO C[N@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000034652481 398014588 /nfs/dbraw/zinc/01/45/88/398014588.db2.gz XQHPTLTVFSCSRU-UHFFFAOYSA-N 1 2 229.283 1.783 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(C)s1 ZINC000490701142 398027742 /nfs/dbraw/zinc/02/77/42/398027742.db2.gz VNFWUXJSYWHMTC-UHFFFAOYSA-N 1 2 218.325 1.910 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(C)s1 ZINC000490701142 398027746 /nfs/dbraw/zinc/02/77/46/398027746.db2.gz VNFWUXJSYWHMTC-UHFFFAOYSA-N 1 2 218.325 1.910 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(COC)no1 ZINC000491415662 398041863 /nfs/dbraw/zinc/04/18/63/398041863.db2.gz HXQZEIYCVIMNOB-SECBINFHSA-N 1 2 223.276 1.232 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nc(COC)no1 ZINC000491415662 398041864 /nfs/dbraw/zinc/04/18/64/398041864.db2.gz HXQZEIYCVIMNOB-SECBINFHSA-N 1 2 223.276 1.232 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000451600164 397978634 /nfs/dbraw/zinc/97/86/34/397978634.db2.gz QFFKCHZTOCJUIW-ZJUUUORDSA-N 1 2 227.304 1.261 20 30 BDEDLO C#CC[N@H+](Cc1cn(CC2CC2)nn1)C1CC1 ZINC000491766817 398066244 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/nfs/dbraw/zinc/11/21/26/166112126.db2.gz OFQHDAIDVBKMRS-UHFFFAOYSA-N 1 2 235.283 1.910 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274317864 166115107 /nfs/dbraw/zinc/11/51/07/166115107.db2.gz ZXXXOLFCQJSANT-NSHDSACASA-N 1 2 233.315 1.437 20 30 BDEDLO C#CCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000278517151 166157672 /nfs/dbraw/zinc/15/76/72/166157672.db2.gz GAXFNRQLYLLXRF-UHFFFAOYSA-N 1 2 203.245 1.487 20 30 BDEDLO C#CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000270480983 166134299 /nfs/dbraw/zinc/13/42/99/166134299.db2.gz DUDKDWXMLOJHFE-CYBMUJFWSA-N 1 2 231.295 1.856 20 30 BDEDLO C#CCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000270480983 166134301 /nfs/dbraw/zinc/13/43/01/166134301.db2.gz DUDKDWXMLOJHFE-CYBMUJFWSA-N 1 2 231.295 1.856 20 30 BDEDLO CCc1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000092936266 410100889 /nfs/dbraw/zinc/10/08/89/410100889.db2.gz NRLDIHICLMKDBT-UHFFFAOYSA-N 1 2 233.315 1.483 20 30 BDEDLO Cc1ccoc1C[NH+]1CCN(CC#N)CC1 ZINC000092936420 410101570 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/nfs/dbraw/zinc/16/87/60/166168760.db2.gz ATTGKKOCQCMSHC-VIFPVBQESA-N 1 2 237.328 1.425 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nncn1-c1ccccc1 ZINC000277590974 166169496 /nfs/dbraw/zinc/16/94/96/166169496.db2.gz DHQZAPMRSPOXRW-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO C#CC[N@H+](CC)Cc1nncn1-c1ccccc1 ZINC000277590974 166169504 /nfs/dbraw/zinc/16/95/04/166169504.db2.gz DHQZAPMRSPOXRW-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266995531 166273568 /nfs/dbraw/zinc/27/35/68/166273568.db2.gz WSJUPHOHEUVCEW-JTQLQIEISA-N 1 2 237.303 1.316 20 30 BDEDLO Cn1cc[nH+]c1CNc1cnccc1C#N ZINC000133777269 411187293 /nfs/dbraw/zinc/18/72/93/411187293.db2.gz FQZFODGAKNIYMX-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C=CCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000658116184 411248916 /nfs/dbraw/zinc/24/89/16/411248916.db2.gz ZLYVFYPTVGGBHP-LLVKDONJSA-N 1 2 229.287 1.455 20 30 BDEDLO C=CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000658390342 411398637 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AHEZMMAFCTUZCH-UHFFFAOYSA-N 1 2 234.303 1.162 20 30 BDEDLO COc1ccc(C#N)cc1NCc1c[nH+]cn1C ZINC000354859824 175051885 /nfs/dbraw/zinc/05/18/85/175051885.db2.gz ZMAPVLJBNIIUFI-UHFFFAOYSA-N 1 2 242.282 1.912 20 30 BDEDLO COc1cc[nH+]c(CN(C)C[C@H](C)C#N)c1OC ZINC000232195744 175358179 /nfs/dbraw/zinc/35/81/79/175358179.db2.gz GPRNJCAGOHUYBG-SNVBAGLBSA-N 1 2 249.314 1.690 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000040667388 175596900 /nfs/dbraw/zinc/59/69/00/175596900.db2.gz TWVYTCYZJNTKTQ-VIFPVBQESA-N 1 2 218.256 1.665 20 30 BDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000019847089 175620336 /nfs/dbraw/zinc/62/03/36/175620336.db2.gz KRYBLLDLKNBPFX-JTQLQIEISA-N 1 2 240.266 1.954 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCNC(=O)C1 ZINC000118390595 176013620 /nfs/dbraw/zinc/01/36/20/176013620.db2.gz IMYZDQUICRNOGM-JTQLQIEISA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCNC(=O)C1 ZINC000118390595 176013621 /nfs/dbraw/zinc/01/36/21/176013621.db2.gz IMYZDQUICRNOGM-JTQLQIEISA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000339577041 176314562 /nfs/dbraw/zinc/31/45/62/176314562.db2.gz CKJSNGWMRSXDSJ-GIPNMCIBSA-N 1 2 243.310 1.425 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000339577041 176314564 /nfs/dbraw/zinc/31/45/64/176314564.db2.gz CKJSNGWMRSXDSJ-GIPNMCIBSA-N 1 2 243.310 1.425 20 30 BDEDLO Cc1cc(C#N)nc(NCCCn2cc[nH+]c2)n1 ZINC000231896577 487639690 /nfs/dbraw/zinc/63/96/90/487639690.db2.gz GCESZCVUVXTVRC-UHFFFAOYSA-N 1 2 242.286 1.355 20 30 BDEDLO N#Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492867384 226070307 /nfs/dbraw/zinc/07/03/07/226070307.db2.gz RFUOSYFQHKWQQM-PLNGDYQASA-N 1 2 238.250 1.933 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000495043201 226274944 /nfs/dbraw/zinc/27/49/44/226274944.db2.gz AMDXDZAPGJEPEP-JTQLQIEISA-N 1 2 241.335 1.603 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000495043201 226274945 /nfs/dbraw/zinc/27/49/45/226274945.db2.gz AMDXDZAPGJEPEP-JTQLQIEISA-N 1 2 241.335 1.603 20 30 BDEDLO C=CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000557721191 322941455 /nfs/dbraw/zinc/94/14/55/322941455.db2.gz OSUFKYSRTQWORM-LLVKDONJSA-N 1 2 221.304 1.744 20 30 BDEDLO Cc1nnc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)[nH]1 ZINC000399469146 262784216 /nfs/dbraw/zinc/78/42/16/262784216.db2.gz UZNHYUUIYMVWIJ-MRVPVSSYSA-N 1 2 242.286 1.283 20 30 BDEDLO COC(=O)[C@H](C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000399605529 262840562 /nfs/dbraw/zinc/84/05/62/262840562.db2.gz WOJFNYBRYNAGMA-SECBINFHSA-N 1 2 247.298 1.507 20 30 BDEDLO Cc1cc(N(C)C[C@H](C)O)c(C#N)c[nH+]1 ZINC000399263531 267333990 /nfs/dbraw/zinc/33/39/90/267333990.db2.gz QZMPOBGCIBCWIX-VIFPVBQESA-N 1 2 205.261 1.079 20 30 BDEDLO C=CCCCCNc1[nH+]cnc2c1OCCN2 ZINC000665711934 487737257 /nfs/dbraw/zinc/73/72/57/487737257.db2.gz JNVCLHVYSJZPBH-UHFFFAOYSA-N 1 2 234.303 1.162 20 30 BDEDLO C=CCCCCNc1nc[nH+]c2c1OCCN2 ZINC000665711934 487737258 /nfs/dbraw/zinc/73/72/58/487737258.db2.gz JNVCLHVYSJZPBH-UHFFFAOYSA-N 1 2 234.303 1.162 20 30 BDEDLO C=C[C@H]1CCCCN1c1nc[nH+]c2c1OCCN2 ZINC000665715277 487737386 /nfs/dbraw/zinc/73/73/86/487737386.db2.gz WFVQXMPOZSEFBH-JTQLQIEISA-N 1 2 246.314 1.826 20 30 BDEDLO C=C[C@H]1CCCCN1c1[nH+]cnc2c1OCCN2 ZINC000665715277 487737388 /nfs/dbraw/zinc/73/73/88/487737388.db2.gz WFVQXMPOZSEFBH-JTQLQIEISA-N 1 2 246.314 1.826 20 30 BDEDLO C=C(Cl)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000791363072 585978762 /nfs/dbraw/zinc/97/87/62/585978762.db2.gz ALGNYMSINBPKNM-UHFFFAOYSA-N 1 2 213.668 1.129 20 30 BDEDLO C=C(Cl)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000791363072 585978763 /nfs/dbraw/zinc/97/87/63/585978763.db2.gz ALGNYMSINBPKNM-UHFFFAOYSA-N 1 2 213.668 1.129 20 30 BDEDLO CCCN(CC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493753113 527870257 /nfs/dbraw/zinc/87/02/57/527870257.db2.gz LXJJZRUXIFHWHU-ARJAWSKDSA-N 1 2 218.260 1.185 20 30 BDEDLO CC(C)n1cc[nH+]c1CN1CC(C)(C#N)C1 ZINC000569351389 322962214 /nfs/dbraw/zinc/96/22/14/322962214.db2.gz BRXWCFMSQUXBHP-UHFFFAOYSA-N 1 2 218.304 1.809 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676956939 487950618 /nfs/dbraw/zinc/95/06/18/487950618.db2.gz IGHFPEIAZGNQLG-GHMZBOCLSA-N 1 2 248.330 1.492 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000676956939 487950622 /nfs/dbraw/zinc/95/06/22/487950622.db2.gz IGHFPEIAZGNQLG-GHMZBOCLSA-N 1 2 248.330 1.492 20 30 BDEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000561945146 323008980 /nfs/dbraw/zinc/00/89/80/323008980.db2.gz LGSFOQRTMXSFDG-ZETCQYMHSA-N 1 2 236.237 1.171 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000562937263 323034283 /nfs/dbraw/zinc/03/42/83/323034283.db2.gz BHPKHMCGXBZHPX-UHFFFAOYSA-N 1 2 244.220 1.822 20 30 BDEDLO C[C@H](CC(=O)NCC1(CC#N)CC1)n1cc[nH+]c1 ZINC000569814959 323041422 /nfs/dbraw/zinc/04/14/22/323041422.db2.gz MOLYFRCSRRIUED-LLVKDONJSA-N 1 2 246.314 1.644 20 30 BDEDLO C#CCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364992672 323085716 /nfs/dbraw/zinc/08/57/16/323085716.db2.gz IUMMRFRWHFJBNH-GFCCVEGCSA-N 1 2 245.326 1.365 20 30 BDEDLO Cc1cc(NC(=O)N(C)[C@H](C)CC#N)c(C)c[nH+]1 ZINC000534324928 323116668 /nfs/dbraw/zinc/11/66/68/323116668.db2.gz PKERDYOCBAMPOW-LLVKDONJSA-N 1 2 246.314 1.886 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC1CCC1 ZINC000565169245 323129562 /nfs/dbraw/zinc/12/95/62/323129562.db2.gz GMEKEMLVBLCETI-LLVKDONJSA-N 1 2 223.320 1.185 20 30 BDEDLO Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)c(C)c[nH+]1 ZINC000535772406 323190873 /nfs/dbraw/zinc/19/08/73/323190873.db2.gz CSUVYDKZHFYVHI-VIFPVBQESA-N 1 2 246.314 1.744 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000677047111 487957697 /nfs/dbraw/zinc/95/76/97/487957697.db2.gz SKDWFILGAAGFMS-GFCCVEGCSA-N 1 2 237.347 1.088 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000121144655 324003644 /nfs/dbraw/zinc/00/36/44/324003644.db2.gz FJUKRIXVFVTKSB-UHFFFAOYSA-N 1 2 205.261 1.138 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccncc1 ZINC000121144655 324003648 /nfs/dbraw/zinc/00/36/48/324003648.db2.gz FJUKRIXVFVTKSB-UHFFFAOYSA-N 1 2 205.261 1.138 20 30 BDEDLO C[C@H](c1ccco1)[N@H+](CC(=O)NCC#N)C1CC1 ZINC000086235629 324118497 /nfs/dbraw/zinc/11/84/97/324118497.db2.gz VGMWBOMWDDGPLT-SNVBAGLBSA-N 1 2 247.298 1.445 20 30 BDEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCC#N)C1CC1 ZINC000086235629 324118499 /nfs/dbraw/zinc/11/84/99/324118499.db2.gz VGMWBOMWDDGPLT-SNVBAGLBSA-N 1 2 247.298 1.445 20 30 BDEDLO C#C[C@@H](CC)NC(=O)NCc1c[nH+]ccc1OC ZINC000491737311 324158639 /nfs/dbraw/zinc/15/86/39/324158639.db2.gz BMWCGOJOLDDLSX-NSHDSACASA-N 1 2 247.298 1.301 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(Cl)n1 ZINC000076185619 325335319 /nfs/dbraw/zinc/33/53/19/325335319.db2.gz GALRLGJTKPIMNM-UHFFFAOYSA-N 1 2 218.687 1.803 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000076968057 325361393 /nfs/dbraw/zinc/36/13/93/325361393.db2.gz OLBNFOXJHZQKDF-UHFFFAOYSA-N 1 2 242.322 1.386 20 30 BDEDLO C=CC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000564335426 325414504 /nfs/dbraw/zinc/41/45/04/325414504.db2.gz QVOOHWOUDNRXLR-TUAOUCFPSA-N 1 2 241.331 1.509 20 30 BDEDLO C[C@@H](CC(=O)N[C@@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC000564336355 325417158 /nfs/dbraw/zinc/41/71/58/325417158.db2.gz YCYXZVWRLLXNQI-GXFFZTMASA-N 1 2 246.314 1.643 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1cc(C#N)cn1C ZINC000081752590 325517239 /nfs/dbraw/zinc/51/72/39/325517239.db2.gz KMLVYZBCSXUKHB-UHFFFAOYSA-N 1 2 240.266 1.853 20 30 BDEDLO C[C@H](C#N)CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000554842714 325737864 /nfs/dbraw/zinc/73/78/64/325737864.db2.gz BZRBNNQXFOJYAZ-SNVBAGLBSA-N 1 2 232.287 1.034 20 30 BDEDLO CC(CN1CC(C)(C#N)C1)C[NH+]1CC(C)(C#N)C1 ZINC000565900159 325972096 /nfs/dbraw/zinc/97/20/96/325972096.db2.gz ORUSHNFVYHGRFG-UHFFFAOYSA-N 1 2 246.358 1.313 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418767 326043408 /nfs/dbraw/zinc/04/34/08/326043408.db2.gz JCDDUPNREGPHNP-ONGXEEELSA-N 1 2 239.319 1.698 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418767 326043410 /nfs/dbraw/zinc/04/34/10/326043410.db2.gz JCDDUPNREGPHNP-ONGXEEELSA-N 1 2 239.319 1.698 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC#N ZINC000566630096 326070029 /nfs/dbraw/zinc/07/00/29/326070029.db2.gz YYYXSTZPTHMMAP-BDAKNGLRSA-N 1 2 220.276 1.007 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC#N ZINC000566630096 326070031 /nfs/dbraw/zinc/07/00/31/326070031.db2.gz YYYXSTZPTHMMAP-BDAKNGLRSA-N 1 2 220.276 1.007 20 30 BDEDLO C#CC[N@H+](Cc1nnnn1C1CC1)C1CCCC1 ZINC000155734564 326210100 /nfs/dbraw/zinc/21/01/00/326210100.db2.gz FRQTWWDEBDXCHT-UHFFFAOYSA-N 1 2 245.330 1.386 20 30 BDEDLO C#CC[N@@H+](Cc1nnnn1C1CC1)C1CCCC1 ZINC000155734564 326210103 /nfs/dbraw/zinc/21/01/03/326210103.db2.gz FRQTWWDEBDXCHT-UHFFFAOYSA-N 1 2 245.330 1.386 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682512482 487972129 /nfs/dbraw/zinc/97/21/29/487972129.db2.gz UFWOZCPFCACFJX-ZJUUUORDSA-N 1 2 219.288 1.136 20 30 BDEDLO N#CCC[NH2+]CC#Cc1cccc(F)c1 ZINC000568502988 326360712 /nfs/dbraw/zinc/36/07/12/326360712.db2.gz QDDZQPOEIWBWBK-UHFFFAOYSA-N 1 2 202.232 1.680 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1CCCC1 ZINC000568644348 326370467 /nfs/dbraw/zinc/37/04/67/326370467.db2.gz GIJWKLSBNBUUFS-SNVBAGLBSA-N 1 2 223.320 1.327 20 30 BDEDLO COCCCn1nccc1C[NH2+]CC1(C#N)CC1 ZINC000568668209 326372184 /nfs/dbraw/zinc/37/21/84/326372184.db2.gz PAGAIIVFKRWFFI-UHFFFAOYSA-N 1 2 248.330 1.313 20 30 BDEDLO C=CCCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661092337 487977087 /nfs/dbraw/zinc/97/70/87/487977087.db2.gz UOGIRJMUEXQNOL-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO C=CCCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661092337 487977092 /nfs/dbraw/zinc/97/70/92/487977092.db2.gz UOGIRJMUEXQNOL-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO C=CC1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665700626 487992089 /nfs/dbraw/zinc/99/20/89/487992089.db2.gz MUGSISGJSULUNJ-UHFFFAOYSA-N 1 2 246.314 1.683 20 30 BDEDLO C=CC1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665700626 487992094 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582646488 /nfs/dbraw/zinc/64/64/88/582646488.db2.gz XTCAHIADWCDNPW-NXEZZACHSA-N 1 2 233.315 1.604 20 30 BDEDLO C=CC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000891268343 582647577 /nfs/dbraw/zinc/64/75/77/582647577.db2.gz QMCKKYAITZSNMK-UHFFFAOYSA-N 1 2 207.277 1.423 20 30 BDEDLO C=CC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000891268939 582649692 /nfs/dbraw/zinc/64/96/92/582649692.db2.gz BHPZFSIGFZYICW-UHFFFAOYSA-N 1 2 207.277 1.354 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)cs1 ZINC000891490655 582692818 /nfs/dbraw/zinc/69/28/18/582692818.db2.gz XCNRXJHVDZJVGC-NSHDSACASA-N 1 2 249.339 1.460 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)cs1 ZINC000891490655 582692820 /nfs/dbraw/zinc/69/28/20/582692820.db2.gz XCNRXJHVDZJVGC-NSHDSACASA-N 1 2 249.339 1.460 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)o1 ZINC000892068298 582783241 /nfs/dbraw/zinc/78/32/41/582783241.db2.gz KDOGSPKULWUTGK-UHFFFAOYSA-N 1 2 217.268 1.747 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)o1 ZINC000892068298 582783243 /nfs/dbraw/zinc/78/32/43/582783243.db2.gz KDOGSPKULWUTGK-UHFFFAOYSA-N 1 2 217.268 1.747 20 30 BDEDLO C[C@H]([NH2+]Cc1cnon1)c1cccc(C#N)c1 ZINC000851899789 582977433 /nfs/dbraw/zinc/97/74/33/582977433.db2.gz GDKZPCAVKUWUCN-VIFPVBQESA-N 1 2 228.255 1.792 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000852162734 583008585 /nfs/dbraw/zinc/00/85/85/583008585.db2.gz RJPXOALRPFRXNG-HNNXBMFYSA-N 1 2 240.306 1.435 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000852162734 583008588 /nfs/dbraw/zinc/00/85/88/583008588.db2.gz RJPXOALRPFRXNG-HNNXBMFYSA-N 1 2 240.306 1.435 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000854702665 583091250 /nfs/dbraw/zinc/09/12/50/583091250.db2.gz VYAGCRZGTSEEBE-GFCCVEGCSA-N 1 2 219.288 1.179 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000854702665 583091251 /nfs/dbraw/zinc/09/12/51/583091251.db2.gz VYAGCRZGTSEEBE-GFCCVEGCSA-N 1 2 219.288 1.179 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccnn1C1CCC1 ZINC000893544058 583160138 /nfs/dbraw/zinc/16/01/38/583160138.db2.gz IYVPZBXHRJCYIS-JTQLQIEISA-N 1 2 218.304 1.857 20 30 BDEDLO Cc1occc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000857760724 583175784 /nfs/dbraw/zinc/17/57/84/583175784.db2.gz ALZIMGVRXQFSFP-UHFFFAOYSA-N 1 2 247.298 1.146 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nccn1C1CC1 ZINC000893992228 583267144 /nfs/dbraw/zinc/26/71/44/583267144.db2.gz KHWMKQYSTDFUAT-UHFFFAOYSA-N 1 2 235.331 1.852 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nccn1C1CC1 ZINC000893992228 583267147 /nfs/dbraw/zinc/26/71/47/583267147.db2.gz KHWMKQYSTDFUAT-UHFFFAOYSA-N 1 2 235.331 1.852 20 30 BDEDLO C=CCN(CCOC)Cc1[nH+]ccn1C1CC1 ZINC000893992228 583267150 /nfs/dbraw/zinc/26/71/50/583267150.db2.gz KHWMKQYSTDFUAT-UHFFFAOYSA-N 1 2 235.331 1.852 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](C)[C@@H](C)CC#N)C1(F)F ZINC000894001211 583270899 /nfs/dbraw/zinc/27/08/99/583270899.db2.gz DZZQWFILDHZINX-YIZRAAEISA-N 1 2 246.257 1.275 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)[C@@H](C)CC#N)C1(F)F ZINC000894001211 583270901 /nfs/dbraw/zinc/27/09/01/583270901.db2.gz DZZQWFILDHZINX-YIZRAAEISA-N 1 2 246.257 1.275 20 30 BDEDLO N#CCC[NH2+]Cc1nccc2c1CCCC2 ZINC000894085195 583295180 /nfs/dbraw/zinc/29/51/80/583295180.db2.gz ZAQONYZBZNBXMB-UHFFFAOYSA-N 1 2 215.300 1.964 20 30 BDEDLO CC[C@@H](C)C[N@@H+](CC#N)CCC(=O)OC ZINC000877710791 583344850 /nfs/dbraw/zinc/34/48/50/583344850.db2.gz VEGKLMAVMSAQSF-SNVBAGLBSA-N 1 2 212.293 1.421 20 30 BDEDLO CC[C@@H](C)C[N@H+](CC#N)CCC(=O)OC ZINC000877710791 583344851 /nfs/dbraw/zinc/34/48/51/583344851.db2.gz VEGKLMAVMSAQSF-SNVBAGLBSA-N 1 2 212.293 1.421 20 30 BDEDLO CC[N@H+](CC(=O)NCCC#N)Cc1ccoc1 ZINC000726597602 583362069 /nfs/dbraw/zinc/36/20/69/583362069.db2.gz GLWKSKRZAOKHGG-UHFFFAOYSA-N 1 2 235.287 1.131 20 30 BDEDLO CC[N@@H+](CC(=O)NCCC#N)Cc1ccoc1 ZINC000726597602 583362071 /nfs/dbraw/zinc/36/20/71/583362071.db2.gz GLWKSKRZAOKHGG-UHFFFAOYSA-N 1 2 235.287 1.131 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](CCC)C1 ZINC000878306638 583369594 /nfs/dbraw/zinc/36/95/94/583369594.db2.gz COZPAOCABQFWJM-RYUDHWBXSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000878306638 583369599 /nfs/dbraw/zinc/36/95/99/583369599.db2.gz COZPAOCABQFWJM-RYUDHWBXSA-N 1 2 241.331 1.605 20 30 BDEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000894467274 583468238 /nfs/dbraw/zinc/46/82/38/583468238.db2.gz IHODFKSAICBXFR-NSHDSACASA-N 1 2 240.310 1.815 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CCC#N)[nH]c1C(C)C ZINC000894579190 583488251 /nfs/dbraw/zinc/48/82/51/583488251.db2.gz HYLROEMOUSYGDM-UHFFFAOYSA-N 1 2 249.314 1.928 20 30 BDEDLO C#C[C@@H]1COCCN1Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894985578 583564263 /nfs/dbraw/zinc/56/42/63/583564263.db2.gz RSQHUYFWVWLUST-LLVKDONJSA-N 1 2 233.315 1.367 20 30 BDEDLO C=CCCOCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000134596939 583584444 /nfs/dbraw/zinc/58/44/44/583584444.db2.gz KAZGEQXMZLDJQW-SNVBAGLBSA-N 1 2 223.320 1.961 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2cc(Cl)ccn2)c1 ZINC000794525924 583602955 /nfs/dbraw/zinc/60/29/55/583602955.db2.gz CZFQDRMWGSNACS-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1ccccn1 ZINC000727253871 583625192 /nfs/dbraw/zinc/62/51/92/583625192.db2.gz MHOGTAOVWXZSLF-UHFFFAOYSA-N 1 2 201.233 1.261 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCc3n[nH]cc3C2)cs1 ZINC000895540218 583687992 /nfs/dbraw/zinc/68/79/92/583687992.db2.gz DKTNVWDOVAXJHV-UHFFFAOYSA-N 1 2 244.323 1.901 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCc3n[nH]cc3C2)cs1 ZINC000895540218 583687993 /nfs/dbraw/zinc/68/79/93/583687993.db2.gz DKTNVWDOVAXJHV-UHFFFAOYSA-N 1 2 244.323 1.901 20 30 BDEDLO C=CCCCC[C@@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000895742919 583715461 /nfs/dbraw/zinc/71/54/61/583715461.db2.gz APJXTQXHWVXKMD-UTUOFQBUSA-N 1 2 243.347 1.633 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977894 588926765 /nfs/dbraw/zinc/92/67/65/588926765.db2.gz IXQGHEHOJJCMQR-CABZTGNLSA-N 1 2 232.287 1.384 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982165 588927728 /nfs/dbraw/zinc/92/77/28/588927728.db2.gz NEKBENVPBRJRLU-SNVBAGLBSA-N 1 2 231.299 1.494 20 30 BDEDLO N#CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857987669 588929333 /nfs/dbraw/zinc/92/93/33/588929333.db2.gz XSKXXELTGOSRFK-SECBINFHSA-N 1 2 230.271 1.138 20 30 BDEDLO C=CCC[C@@H](CCC)[NH2+]CC(=O)NOC ZINC000896927652 583859205 /nfs/dbraw/zinc/85/92/05/583859205.db2.gz SKQNEWYCWIKDJB-SNVBAGLBSA-N 1 2 214.309 1.389 20 30 BDEDLO CC#CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897254954 583904426 /nfs/dbraw/zinc/90/44/26/583904426.db2.gz ZFXITMMSSUXOIK-UHFFFAOYSA-N 1 2 219.288 1.066 20 30 BDEDLO C#CC[C@@H](CCOC)[NH2+]Cc1cn[nH]c1C ZINC000858334371 588946569 /nfs/dbraw/zinc/94/65/69/588946569.db2.gz VGDCFIURLWZSGB-LBPRGKRZSA-N 1 2 221.304 1.236 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897553594 584017514 /nfs/dbraw/zinc/01/75/14/584017514.db2.gz SOHPANHWWVSHRX-LBPRGKRZSA-N 1 2 247.342 1.845 20 30 BDEDLO CC(C)n1c[nH+]cc1CN1CCO[C@](C)(C#N)C1 ZINC000897586060 584022226 /nfs/dbraw/zinc/02/22/26/584022226.db2.gz FAHQVFWFTCNQFH-CYBMUJFWSA-N 1 2 248.330 1.578 20 30 BDEDLO N#Cc1csc(C[NH2+]CC2(F)CC2)n1 ZINC000897628321 584033004 /nfs/dbraw/zinc/03/30/04/584033004.db2.gz GOBZUKZPQWJVKO-UHFFFAOYSA-N 1 2 211.265 1.606 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000730094295 584122991 /nfs/dbraw/zinc/12/29/91/584122991.db2.gz BMNZHNLBIFXCQJ-ZDUSSCGKSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000730094295 584122992 /nfs/dbraw/zinc/12/29/92/584122992.db2.gz BMNZHNLBIFXCQJ-ZDUSSCGKSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1F ZINC000730095359 584123003 /nfs/dbraw/zinc/12/30/03/584123003.db2.gz DQPQMIGSFJYVEF-ZDUSSCGKSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1F ZINC000730095359 584123004 /nfs/dbraw/zinc/12/30/04/584123004.db2.gz DQPQMIGSFJYVEF-ZDUSSCGKSA-N 1 2 246.285 1.862 20 30 BDEDLO C=C1CN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000898700807 584150963 /nfs/dbraw/zinc/15/09/63/584150963.db2.gz DIRCRRCIGZLWIE-UHFFFAOYSA-N 1 2 241.294 1.894 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(CC)nn1 ZINC000899337044 584197043 /nfs/dbraw/zinc/19/70/43/584197043.db2.gz ZXHGQMQISVWXCB-GFCCVEGCSA-N 1 2 220.320 1.839 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(CC)nn1 ZINC000899337044 584197044 /nfs/dbraw/zinc/19/70/44/584197044.db2.gz ZXHGQMQISVWXCB-GFCCVEGCSA-N 1 2 220.320 1.839 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000899900368 584249823 /nfs/dbraw/zinc/24/98/23/584249823.db2.gz OZIXBYXJUOSUEP-UONOGXRCSA-N 1 2 233.311 1.343 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COCc2cccs2)C1 ZINC000899901221 584249967 /nfs/dbraw/zinc/24/99/67/584249967.db2.gz FWOHXGMHXJMZDB-NSHDSACASA-N 1 2 239.340 1.497 20 30 BDEDLO C=C(C)CN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900168699 584281971 /nfs/dbraw/zinc/28/19/71/584281971.db2.gz IUOFLAUQJSAPGW-UHFFFAOYSA-N 1 2 207.277 1.377 20 30 BDEDLO C=CC[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000900742974 584348268 /nfs/dbraw/zinc/34/82/68/584348268.db2.gz UWVSGBRKMPMKPX-JTQLQIEISA-N 1 2 219.288 1.574 20 30 BDEDLO O[C@@H]1CCCC[C@H]1NN=Cc1c[nH+]c2n1CCC2 ZINC000901332135 584424910 /nfs/dbraw/zinc/42/49/10/584424910.db2.gz AXVIPBUVTRNMEH-VXGBXAGGSA-N 1 2 248.330 1.056 20 30 BDEDLO Nc1ccc(C=Nn2nnc3c2CCCC3)c[nH+]1 ZINC000901331245 584425205 /nfs/dbraw/zinc/42/52/05/584425205.db2.gz NTJXMMFOYDAIMC-UHFFFAOYSA-N 1 2 242.286 1.016 20 30 BDEDLO Nc1[nH+]cccc1C=Nn1nnc2c1CCCC2 ZINC000901331154 584425275 /nfs/dbraw/zinc/42/52/75/584425275.db2.gz KQEIMZYVGZKQAQ-UHFFFAOYSA-N 1 2 242.286 1.016 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)nn1C ZINC000901505402 584455264 /nfs/dbraw/zinc/45/52/64/584455264.db2.gz BLYGEXDKKUZAFE-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO CC(C)n1cc(C(=O)/C=C\c2c[nH+]cn2C)nn1 ZINC000901527974 584458900 /nfs/dbraw/zinc/45/89/00/584458900.db2.gz FUVABDBQWTULGR-PLNGDYQASA-N 1 2 245.286 1.489 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cn(C)nn1 ZINC000901515234 584461621 /nfs/dbraw/zinc/46/16/21/584461621.db2.gz ACISVHAUQALSMJ-SNAWJCMRSA-N 1 2 245.286 1.489 20 30 BDEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C)nn1C ZINC000901555642 584462308 /nfs/dbraw/zinc/46/23/08/584462308.db2.gz XAAVMJLKUBBEJH-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO C=C[C@H]([NH2+]CC(C)(C)C1CC1)C(=O)OC ZINC000901641701 584473564 /nfs/dbraw/zinc/47/35/64/584473564.db2.gz BACGGHYULFKJIO-JTQLQIEISA-N 1 2 211.305 1.740 20 30 BDEDLO NC(=[NH+]OCCOC1CC1)c1ccc(F)cc1 ZINC000902174988 584535392 /nfs/dbraw/zinc/53/53/92/584535392.db2.gz DGROLMQMFIDFPN-UHFFFAOYSA-N 1 2 238.262 1.642 20 30 BDEDLO N#CC1(C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000903106414 584728427 /nfs/dbraw/zinc/72/84/27/584728427.db2.gz POPWDRYLFZHZTP-SECBINFHSA-N 1 2 202.261 1.221 20 30 BDEDLO N#CC1(CN[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000903106414 584728428 /nfs/dbraw/zinc/72/84/28/584728428.db2.gz POPWDRYLFZHZTP-SECBINFHSA-N 1 2 202.261 1.221 20 30 BDEDLO C[C@H]([NH2+]C[C@@H]1CCN1C)c1cccc(C#N)c1O ZINC000903317925 584750485 /nfs/dbraw/zinc/75/04/85/584750485.db2.gz XAMJRMFAGIQONQ-JQWIXIFHSA-N 1 2 245.326 1.619 20 30 BDEDLO N#Cc1ccc(CCN2CC=CC[NH2+]2)cc1 ZINC000903489117 584780438 /nfs/dbraw/zinc/78/04/38/584780438.db2.gz FYUFHQQDSNQMCD-UHFFFAOYSA-N 1 2 213.284 1.477 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(C[NH2+]CC)no1 ZINC000904075703 584839782 /nfs/dbraw/zinc/83/97/82/584839782.db2.gz OETUWUFLKYSCQB-MWLCHTKSSA-N 1 2 237.303 1.628 20 30 BDEDLO CCCCCCN(O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000904204518 584852260 /nfs/dbraw/zinc/85/22/60/584852260.db2.gz NJUGDNLVZLEAQM-NSHDSACASA-N 1 2 244.335 1.115 20 30 BDEDLO CCCCCCN(O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000904204518 584852261 /nfs/dbraw/zinc/85/22/61/584852261.db2.gz NJUGDNLVZLEAQM-NSHDSACASA-N 1 2 244.335 1.115 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000904214580 584855977 /nfs/dbraw/zinc/85/59/77/584855977.db2.gz DXWGDLCNRKNORP-NXEZZACHSA-N 1 2 237.303 1.542 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)OCCCC ZINC000831678696 584910549 /nfs/dbraw/zinc/91/05/49/584910549.db2.gz FJVGUBHBKNJUJX-UTUOFQBUSA-N 1 2 241.331 1.651 20 30 BDEDLO C#Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cn1 ZINC000730565303 584912770 /nfs/dbraw/zinc/91/27/70/584912770.db2.gz ACDLSSUAEXKWET-UHFFFAOYSA-N 1 2 237.262 1.441 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000762719020 584915055 /nfs/dbraw/zinc/91/50/55/584915055.db2.gz NTPBJHMTDICLGY-JTQLQIEISA-N 1 2 242.282 1.756 20 30 BDEDLO C=CCO[NH+]=C1CCCc2nc(N)sc21 ZINC000835014355 584918738 /nfs/dbraw/zinc/91/87/38/584918738.db2.gz GFTBDJLZIQKTJO-UHFFFAOYSA-N 1 2 223.301 1.968 20 30 BDEDLO Cn1ncc2c1CC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000731156586 584922781 /nfs/dbraw/zinc/92/27/81/584922781.db2.gz HOZTVGSLQPARFU-SOFGYWHQSA-N 1 2 228.255 1.356 20 30 BDEDLO CCn1cc(C(=O)/C=C/c2[nH]cc[nH+]2)cn1 ZINC000731159450 584922980 /nfs/dbraw/zinc/92/29/80/584922980.db2.gz RFONXJCGLFICJP-ONEGZZNKSA-N 1 2 216.244 1.522 20 30 BDEDLO N#CCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000731908335 584931175 /nfs/dbraw/zinc/93/11/75/584931175.db2.gz RIMXWRBPSMGPRZ-UHFFFAOYSA-N 1 2 201.185 1.015 20 30 BDEDLO C[C@@]1(C/[NH+]=C/c2cccc(O)c2O)CCOC1 ZINC000733081233 584943045 /nfs/dbraw/zinc/94/30/45/584943045.db2.gz RMDYLVBLAVFCLU-PZMUVPOTSA-N 1 2 235.283 1.943 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC000735054600 584972173 /nfs/dbraw/zinc/97/21/73/584972173.db2.gz VIJVLDISYJKLFR-VOTSOKGWSA-N 1 2 234.343 1.366 20 30 BDEDLO C[C@@H](C(=O)OCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000735959859 584984565 /nfs/dbraw/zinc/98/45/65/584984565.db2.gz QTGJFEIKMZJTGO-NSHDSACASA-N 1 2 244.294 1.500 20 30 BDEDLO C[C@@H](C(=O)OCC#N)[N@H+]1CCc2ccccc2C1 ZINC000735959859 584984566 /nfs/dbraw/zinc/98/45/66/584984566.db2.gz QTGJFEIKMZJTGO-NSHDSACASA-N 1 2 244.294 1.500 20 30 BDEDLO CN(C)c1ccc(C=[NH+]Nc2cccnn2)cc1 ZINC000735976179 584985664 /nfs/dbraw/zinc/98/56/64/584985664.db2.gz FCHGNHMBDVYOEM-UHFFFAOYSA-N 1 2 241.298 1.989 20 30 BDEDLO C=C(Cl)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000736246127 584994080 /nfs/dbraw/zinc/99/40/80/584994080.db2.gz NFWILRPGXFQNED-UHFFFAOYSA-N 1 2 235.674 1.817 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000839168887 585095839 /nfs/dbraw/zinc/09/58/39/585095839.db2.gz OCRMNHYTFLRXHR-NXEZZACHSA-N 1 2 227.329 1.037 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OC ZINC000839170290 585096110 /nfs/dbraw/zinc/09/61/10/585096110.db2.gz YIMLLMWHEYRPPV-NWDGAFQWSA-N 1 2 221.300 1.640 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCC(C)CC1)C(=O)OC ZINC000839169723 585096159 /nfs/dbraw/zinc/09/61/59/585096159.db2.gz VBSHVUYMTPYTTJ-HTAVTVPLSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C(=O)OC ZINC000839170347 585096197 /nfs/dbraw/zinc/09/61/97/585096197.db2.gz YXCZGSASQGLGAL-NWDGAFQWSA-N 1 2 225.332 1.823 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(C)ccc1O ZINC000839186283 585096872 /nfs/dbraw/zinc/09/68/72/585096872.db2.gz FTLAOZQIGIKZIQ-ZDUSSCGKSA-N 1 2 231.295 1.535 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000839186283 585096873 /nfs/dbraw/zinc/09/68/73/585096873.db2.gz FTLAOZQIGIKZIQ-ZDUSSCGKSA-N 1 2 231.295 1.535 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C=C2CCCC2)CC1 ZINC000744419322 585150478 /nfs/dbraw/zinc/15/04/78/585150478.db2.gz ZDMZJENKMOXJIT-UHFFFAOYSA-N 1 2 232.327 1.264 20 30 BDEDLO C=C(C)CNC(=S)Nc1c[nH+]ccc1OC ZINC000748155977 585188295 /nfs/dbraw/zinc/18/82/95/585188295.db2.gz BPFASOSGMJNTAH-UHFFFAOYSA-N 1 2 237.328 1.953 20 30 BDEDLO COCCON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000748789609 585196085 /nfs/dbraw/zinc/19/60/85/585196085.db2.gz LVUHSEQNGGNLGX-UHFFFAOYSA-N 1 2 245.282 1.869 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN=c1cc[nH]c(N(C)C)n1 ZINC000755734335 585305251 /nfs/dbraw/zinc/30/52/51/585305251.db2.gz TYWIDTBSIWEKFZ-UHFFFAOYSA-N 1 2 245.290 1.020 20 30 BDEDLO CN(C)c1cc(COC(=O)C(C)(C)C#N)cc[nH+]1 ZINC000755907634 585310160 /nfs/dbraw/zinc/31/01/60/585310160.db2.gz WRRQOSMGSYHUAJ-UHFFFAOYSA-N 1 2 247.298 1.741 20 30 BDEDLO C#CC[N@@H+](CC#CCOC)Cc1ccc(F)cc1 ZINC000757651367 585343662 /nfs/dbraw/zinc/34/36/62/585343662.db2.gz VGOHRENPBWVLEJ-UHFFFAOYSA-N 1 2 245.297 1.911 20 30 BDEDLO C#CC[N@H+](CC#CCOC)Cc1ccc(F)cc1 ZINC000757651367 585343663 /nfs/dbraw/zinc/34/36/63/585343663.db2.gz VGOHRENPBWVLEJ-UHFFFAOYSA-N 1 2 245.297 1.911 20 30 BDEDLO C#CCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000760362772 585391404 /nfs/dbraw/zinc/39/14/04/585391404.db2.gz SHGRJPYJBDAZFM-JTQLQIEISA-N 1 2 212.293 1.569 20 30 BDEDLO C#CCC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000760840973 585398625 /nfs/dbraw/zinc/39/86/25/585398625.db2.gz LPUPHNAYBOGAEJ-JTQLQIEISA-N 1 2 237.303 1.622 20 30 BDEDLO C#CCC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000760840973 585398626 /nfs/dbraw/zinc/39/86/26/585398626.db2.gz LPUPHNAYBOGAEJ-JTQLQIEISA-N 1 2 237.303 1.622 20 30 BDEDLO C#CCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000760842833 585399114 /nfs/dbraw/zinc/39/91/14/585399114.db2.gz KNMIYTGSHKMDNU-JTQLQIEISA-N 1 2 234.265 1.578 20 30 BDEDLO C#CCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000760843799 585399332 /nfs/dbraw/zinc/39/93/32/585399332.db2.gz PISMZUOHQIEHLM-IUCAKERBSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000760843799 585399333 /nfs/dbraw/zinc/39/93/33/585399333.db2.gz PISMZUOHQIEHLM-IUCAKERBSA-N 1 2 221.222 1.661 20 30 BDEDLO Nc1[nH+]cccc1C=Nn1cnc2ccccc21 ZINC000764669534 585470780 /nfs/dbraw/zinc/47/07/80/585470780.db2.gz VBQBTOSFGCZMKK-UHFFFAOYSA-N 1 2 237.266 1.896 20 30 BDEDLO CC#CCC[N@H+](C)Cc1nnc2ccccn21 ZINC000764975278 585478194 /nfs/dbraw/zinc/47/81/94/585478194.db2.gz NXZGJJJLTZLFNJ-UHFFFAOYSA-N 1 2 228.299 1.575 20 30 BDEDLO CC#CCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000764975278 585478195 /nfs/dbraw/zinc/47/81/95/585478195.db2.gz NXZGJJJLTZLFNJ-UHFFFAOYSA-N 1 2 228.299 1.575 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000766273296 585500270 /nfs/dbraw/zinc/50/02/70/585500270.db2.gz XCIFZBZRPNXFNB-VIFPVBQESA-N 1 2 214.696 1.046 20 30 BDEDLO C=C(Cl)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000766273296 585500271 /nfs/dbraw/zinc/50/02/71/585500271.db2.gz XCIFZBZRPNXFNB-VIFPVBQESA-N 1 2 214.696 1.046 20 30 BDEDLO CON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000767488954 585521036 /nfs/dbraw/zinc/52/10/36/585521036.db2.gz CQCFQZQAOFMKHR-UHFFFAOYSA-N 1 2 201.229 1.853 20 30 BDEDLO C=CCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767529732 585522085 /nfs/dbraw/zinc/52/20/85/585522085.db2.gz YEIROXQNDSQFFW-TXEJJXNPSA-N 1 2 239.315 1.359 20 30 BDEDLO C=CCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767529732 585522086 /nfs/dbraw/zinc/52/20/86/585522086.db2.gz YEIROXQNDSQFFW-TXEJJXNPSA-N 1 2 239.315 1.359 20 30 BDEDLO CC#CCCCC(=O)OCCn1cc[nH+]c1 ZINC000767666571 585524428 /nfs/dbraw/zinc/52/44/28/585524428.db2.gz VFKCQWAEQGSLMF-UHFFFAOYSA-N 1 2 220.272 1.620 20 30 BDEDLO COCCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000769377041 585555146 /nfs/dbraw/zinc/55/51/46/585555146.db2.gz JNGXRJRDFOMUGU-UHFFFAOYSA-N 1 2 240.278 1.889 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770418629 585573994 /nfs/dbraw/zinc/57/39/94/585573994.db2.gz SJUFIGNTKDGYTP-SNVBAGLBSA-N 1 2 242.282 1.708 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(C)=C\C(C)(C)C)CC1 ZINC000771965475 585605672 /nfs/dbraw/zinc/60/56/72/585605672.db2.gz GRQBTRYIIPFPDO-SEYXRHQNSA-N 1 2 248.370 1.756 20 30 BDEDLO C=C(CC)CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000773178303 585633213 /nfs/dbraw/zinc/63/32/13/585633213.db2.gz ZBQTVPVFHMUKLM-UHFFFAOYSA-N 1 2 227.308 1.366 20 30 BDEDLO CCOCCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000774432164 585658621 /nfs/dbraw/zinc/65/86/21/585658621.db2.gz HKGSPDMPIPKXJD-UHFFFAOYSA-N 1 2 243.332 1.596 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nccn1C)[C@@H]1CCCO1 ZINC000775571375 585680412 /nfs/dbraw/zinc/68/04/12/585680412.db2.gz GKSKMIBLANUYJS-SRVKXCTJSA-N 1 2 233.315 1.252 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000777544872 585714741 /nfs/dbraw/zinc/71/47/41/585714741.db2.gz SVRKCDKULCXQAR-UHFFFAOYSA-N 1 2 236.315 1.381 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000777544872 585714742 /nfs/dbraw/zinc/71/47/42/585714742.db2.gz SVRKCDKULCXQAR-UHFFFAOYSA-N 1 2 236.315 1.381 20 30 BDEDLO COC[C@H](C)NN=Cc1cccc2[nH+]ccn21 ZINC000777903257 585723516 /nfs/dbraw/zinc/72/35/16/585723516.db2.gz QVGNPQIZSJRPDC-JTQLQIEISA-N 1 2 232.287 1.293 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(F)nc1 ZINC000779154401 585746183 /nfs/dbraw/zinc/74/61/83/585746183.db2.gz UZPBJVMUSJONJQ-UHFFFAOYSA-N 1 2 207.252 1.956 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(F)nc1 ZINC000779154401 585746184 /nfs/dbraw/zinc/74/61/84/585746184.db2.gz UZPBJVMUSJONJQ-UHFFFAOYSA-N 1 2 207.252 1.956 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782615977 585822596 /nfs/dbraw/zinc/82/25/96/585822596.db2.gz HJHXFXBUPHWNGF-OCCSQVGLSA-N 1 2 246.285 1.512 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782615977 585822597 /nfs/dbraw/zinc/82/25/97/585822597.db2.gz HJHXFXBUPHWNGF-OCCSQVGLSA-N 1 2 246.285 1.512 20 30 BDEDLO N#CCSCC(=O)OCCCn1cc[nH+]c1 ZINC000782710902 585823955 /nfs/dbraw/zinc/82/39/55/585823955.db2.gz HZISALHQADPAFB-UHFFFAOYSA-N 1 2 239.300 1.073 20 30 BDEDLO C=CCCC(=O)OCCCn1cc[nH+]c1 ZINC000783375597 585834105 /nfs/dbraw/zinc/83/41/05/585834105.db2.gz QLVPLFOUGBFYBG-UHFFFAOYSA-N 1 2 208.261 1.783 20 30 BDEDLO N#C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CCN1C1CC1 ZINC000783567318 585837211 /nfs/dbraw/zinc/83/72/11/585837211.db2.gz NEGNZFYBORMXHI-GXTWGEPZSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CCN1C1CC1 ZINC000783567318 585837212 /nfs/dbraw/zinc/83/72/12/585837212.db2.gz NEGNZFYBORMXHI-GXTWGEPZSA-N 1 2 249.358 1.085 20 30 BDEDLO Oc1cccc(/C=[NH+]\CC[C@H]2CCOC2)c1O ZINC000783685973 585839906 /nfs/dbraw/zinc/83/99/06/585839906.db2.gz SRDZUTIKNCNUJQ-WULZRQGASA-N 1 2 235.283 1.943 20 30 BDEDLO Cc1ccc(NC(=O)NCCC#N)c(N(C)C)[nH+]1 ZINC000785878059 585882277 /nfs/dbraw/zinc/88/22/77/585882277.db2.gz YLAHGRRAAARVTP-UHFFFAOYSA-N 1 2 247.302 1.491 20 30 BDEDLO Cc1nc(F)ccc1C[NH+]1CCN(CC#N)CC1 ZINC000787139160 585901877 /nfs/dbraw/zinc/90/18/77/585901877.db2.gz HYVHKFAOBJHMQO-UHFFFAOYSA-N 1 2 248.305 1.170 20 30 BDEDLO CC#CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000788304514 585921265 /nfs/dbraw/zinc/92/12/65/585921265.db2.gz AONDSPCZGKVJGF-UHFFFAOYSA-N 1 2 219.288 1.179 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@H](CO)c1ccccc1 ZINC000788469027 585925470 /nfs/dbraw/zinc/92/54/70/585925470.db2.gz MLJGJRKKYFYMTL-CYBMUJFWSA-N 1 2 244.298 1.375 20 30 BDEDLO Cc1nn(C)c(C)c1C=NNc1[nH+]ccn1C ZINC000790299712 585962646 /nfs/dbraw/zinc/96/26/46/585962646.db2.gz HUXWIHIPQWPBIE-UHFFFAOYSA-N 1 2 232.291 1.216 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1cccc(Cl)n1 ZINC000793163579 586012496 /nfs/dbraw/zinc/01/24/96/586012496.db2.gz LSYMFVMFZSSULV-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO Nc1[nH+]cccc1CN=Nc1ncccc1F ZINC000794990615 586062048 /nfs/dbraw/zinc/06/20/48/586062048.db2.gz PSYCDGWAGWNSJC-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C#N)o1 ZINC000797119046 586120669 /nfs/dbraw/zinc/12/06/69/586120669.db2.gz RLFFXYINNDALGD-UHFFFAOYSA-N 1 2 245.238 1.284 20 30 BDEDLO Cc1ccc2c(N[NH2+][C@@H](C)CO)csc2c1 ZINC000797786216 586131407 /nfs/dbraw/zinc/13/14/07/586131407.db2.gz LXWNSEGLTSCWGY-VIFPVBQESA-N 1 2 236.340 1.775 20 30 BDEDLO Cc1nn(C)c(C)c1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000798232163 586141161 /nfs/dbraw/zinc/14/11/61/586141161.db2.gz WXDCTJGNFYTWGM-AATRIKPKSA-N 1 2 244.298 1.667 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cnn(C)c2)c1 ZINC000798231487 586141283 /nfs/dbraw/zinc/14/12/83/586141283.db2.gz MBGUEPCADMNLMV-ONEGZZNKSA-N 1 2 216.244 1.050 20 30 BDEDLO C#CC[N@@H+](Cc1cnc(Cl)cn1)C1CC1 ZINC000799163889 586162901 /nfs/dbraw/zinc/16/29/01/586162901.db2.gz BLHYFYGEKYKSIQ-UHFFFAOYSA-N 1 2 221.691 1.728 20 30 BDEDLO C#CC[N@H+](Cc1cnc(Cl)cn1)C1CC1 ZINC000799163889 586162903 /nfs/dbraw/zinc/16/29/03/586162903.db2.gz BLHYFYGEKYKSIQ-UHFFFAOYSA-N 1 2 221.691 1.728 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859320961 589031468 /nfs/dbraw/zinc/03/14/68/589031468.db2.gz QWQVYCWGGWYKPD-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859320961 589031469 /nfs/dbraw/zinc/03/14/69/589031469.db2.gz QWQVYCWGGWYKPD-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cn1 ZINC000799306154 586170301 /nfs/dbraw/zinc/17/03/01/586170301.db2.gz SWHLGPOMTGORDT-LLVKDONJSA-N 1 2 223.251 1.100 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cn1 ZINC000799306154 586170303 /nfs/dbraw/zinc/17/03/03/586170303.db2.gz SWHLGPOMTGORDT-LLVKDONJSA-N 1 2 223.251 1.100 20 30 BDEDLO CC[C@@H](C)[NH2+]NC1=CC(=O)N2CCC[C@@H]12 ZINC000799484748 586176122 /nfs/dbraw/zinc/17/61/22/586176122.db2.gz COKGPWMVZNFYLT-SCZZXKLOSA-N 1 2 209.293 1.125 20 30 BDEDLO O=C1C=C([NH2+]Nc2ccnc(F)c2)[C@@H]2CCCN12 ZINC000799486105 586180150 /nfs/dbraw/zinc/18/01/50/586180150.db2.gz YKAZFMZZEDCOLZ-JTQLQIEISA-N 1 2 248.261 1.383 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(n2cccn2)CC1 ZINC000800343030 586212989 /nfs/dbraw/zinc/21/29/89/586212989.db2.gz AIIQOQIQHRZUQV-LBPRGKRZSA-N 1 2 249.314 1.248 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(n2cccn2)CC1 ZINC000800343029 586213393 /nfs/dbraw/zinc/21/33/93/586213393.db2.gz AIIQOQIQHRZUQV-GFCCVEGCSA-N 1 2 249.314 1.248 20 30 BDEDLO CC(=NNCCC(F)(F)F)c1cn(C)c(C)[nH+]1 ZINC000800816817 586232987 /nfs/dbraw/zinc/23/29/87/586232987.db2.gz DPMKRIDGGFJUQW-UHFFFAOYSA-N 1 2 248.252 1.995 20 30 BDEDLO CC#CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000801112674 586242235 /nfs/dbraw/zinc/24/22/35/586242235.db2.gz RXAIJLSKHQSNLV-UHFFFAOYSA-N 1 2 248.351 1.416 20 30 BDEDLO CCC[C@](C)([NH2+]CCO[C@@H](C)C#N)C(=O)OC ZINC000801922449 586277330 /nfs/dbraw/zinc/27/73/30/586277330.db2.gz WNOCOTIYPJULLC-JQWIXIFHSA-N 1 2 242.319 1.236 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000801938855 586281087 /nfs/dbraw/zinc/28/10/87/586281087.db2.gz NNHINORAJZXDEZ-NEPJUHHUSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000801938855 586281088 /nfs/dbraw/zinc/28/10/88/586281088.db2.gz NNHINORAJZXDEZ-NEPJUHHUSA-N 1 2 221.304 1.541 20 30 BDEDLO C#CCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335956 586391656 /nfs/dbraw/zinc/39/16/56/586391656.db2.gz HCBWPCNNUQFBJE-LLVKDONJSA-N 1 2 231.299 1.118 20 30 BDEDLO Cc1ccc(C#N)c(-n2c[nH+]c(CCCO)c2)n1 ZINC000804441959 586396110 /nfs/dbraw/zinc/39/61/10/586396110.db2.gz XHNQNXKRWJLRJO-UHFFFAOYSA-N 1 2 242.282 1.372 20 30 BDEDLO CS[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840113087 586448923 /nfs/dbraw/zinc/44/89/23/586448923.db2.gz KJUSTRVJZMMHHS-NSHDSACASA-N 1 2 249.339 1.115 20 30 BDEDLO CS[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000840113087 586448925 /nfs/dbraw/zinc/44/89/25/586448925.db2.gz KJUSTRVJZMMHHS-NSHDSACASA-N 1 2 249.339 1.115 20 30 BDEDLO CC1(C)CCC(=O)N1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000808177078 586466158 /nfs/dbraw/zinc/46/61/58/586466158.db2.gz PFQZQRWFYUAOMF-CQSZACIVSA-N 1 2 249.358 1.971 20 30 BDEDLO CC1(C)CCC(=O)N1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000808177078 586466160 /nfs/dbraw/zinc/46/61/60/586466160.db2.gz PFQZQRWFYUAOMF-CQSZACIVSA-N 1 2 249.358 1.971 20 30 BDEDLO C#Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC)cc1 ZINC000809658781 586511287 /nfs/dbraw/zinc/51/12/87/586511287.db2.gz VXFOMALQRPQMOJ-NSHDSACASA-N 1 2 231.295 1.661 20 30 BDEDLO C#Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC)cc1 ZINC000809658781 586511290 /nfs/dbraw/zinc/51/12/90/586511290.db2.gz VXFOMALQRPQMOJ-NSHDSACASA-N 1 2 231.295 1.661 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000840298035 586606574 /nfs/dbraw/zinc/60/65/74/586606574.db2.gz RFQIZZFOGZXDJW-LLVKDONJSA-N 1 2 246.314 1.237 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000840298035 586606575 /nfs/dbraw/zinc/60/65/75/586606575.db2.gz RFQIZZFOGZXDJW-LLVKDONJSA-N 1 2 246.314 1.237 20 30 BDEDLO C=CCNC(=S)NCc1c[nH+]ccc1OC ZINC000814206386 586617839 /nfs/dbraw/zinc/61/78/39/586617839.db2.gz PJUFZCZPFWSGRF-UHFFFAOYSA-N 1 2 237.328 1.240 20 30 BDEDLO CN(C)c1ncc(C=[NH+]OCC2CC2)s1 ZINC000814245415 586620261 /nfs/dbraw/zinc/62/02/61/586620261.db2.gz ZMAFKBUNKZLGPJ-UHFFFAOYSA-N 1 2 225.317 1.970 20 30 BDEDLO C=C[C@H](O)C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000814543817 586624018 /nfs/dbraw/zinc/62/40/18/586624018.db2.gz ICGBYYMTCDHDKU-NSHDSACASA-N 1 2 246.266 1.233 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cnn(C)c1Cl ZINC000814918094 586650765 /nfs/dbraw/zinc/65/07/65/586650765.db2.gz ANJTXKNBHVXCBM-UHFFFAOYSA-N 1 2 238.682 1.253 20 30 BDEDLO Nc1ncc2c(n1)CCCC2=[NH+]OC1CCC1 ZINC000814937211 586655001 /nfs/dbraw/zinc/65/50/01/586655001.db2.gz YIKMLGVNEHJVFO-UHFFFAOYSA-N 1 2 232.287 1.668 20 30 BDEDLO CN(C)c1ccc(C=[NH+]Nc2cnnn2C)cc1 ZINC000814982207 586663323 /nfs/dbraw/zinc/66/33/23/586663323.db2.gz QXPFKHYITRPWHJ-UHFFFAOYSA-N 1 2 244.302 1.327 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000815871423 586695289 /nfs/dbraw/zinc/69/52/89/586695289.db2.gz LSPSKRBMJKJJLD-JTQLQIEISA-N 1 2 246.301 1.750 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000815871423 586695290 /nfs/dbraw/zinc/69/52/90/586695290.db2.gz LSPSKRBMJKJJLD-JTQLQIEISA-N 1 2 246.301 1.750 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000815871424 586695476 /nfs/dbraw/zinc/69/54/76/586695476.db2.gz LSPSKRBMJKJJLD-SNVBAGLBSA-N 1 2 246.301 1.750 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000815871424 586695478 /nfs/dbraw/zinc/69/54/78/586695478.db2.gz LSPSKRBMJKJJLD-SNVBAGLBSA-N 1 2 246.301 1.750 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnn(C)c1Cl ZINC000816593202 586742947 /nfs/dbraw/zinc/74/29/47/586742947.db2.gz IRBPRZROYQRGCM-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816593202 586742948 /nfs/dbraw/zinc/74/29/48/586742948.db2.gz IRBPRZROYQRGCM-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO COCCCNN=C1CCc2ccc[nH+]c2CC1 ZINC000817327976 586794774 /nfs/dbraw/zinc/79/47/74/586794774.db2.gz USWHIXRBLOIIGR-UHFFFAOYSA-N 1 2 247.342 1.943 20 30 BDEDLO CC(C)n1c[nH+]cc1C=Nn1ccccc1=O ZINC000819813144 586998182 /nfs/dbraw/zinc/99/81/82/586998182.db2.gz TWOXUNMNYJWTGZ-UHFFFAOYSA-N 1 2 230.271 1.508 20 30 BDEDLO C=CCN(CCC#N)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820224579 587036638 /nfs/dbraw/zinc/03/66/38/587036638.db2.gz VFNVAFUFNAQDLP-AATRIKPKSA-N 1 2 244.298 1.362 20 30 BDEDLO Cn1cc(C(=O)/C=C/c2ccc(N)[nH+]c2)cn1 ZINC000821038732 587090648 /nfs/dbraw/zinc/09/06/48/587090648.db2.gz LZNHMJXARWIZPU-DUXPYHPUSA-N 1 2 228.255 1.293 20 30 BDEDLO C=C(Br)CN1CCn2c[nH+]cc2C1 ZINC000821269077 587104668 /nfs/dbraw/zinc/10/46/68/587104668.db2.gz CLFOJBZXWDFJNH-UHFFFAOYSA-N 1 2 242.120 1.607 20 30 BDEDLO C#C[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822083605 587151825 /nfs/dbraw/zinc/15/18/25/587151825.db2.gz WOSHCXAHBYXOTJ-NWDGAFQWSA-N 1 2 233.315 1.608 20 30 BDEDLO C#C[C@H](CC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000822407306 587166286 /nfs/dbraw/zinc/16/62/86/587166286.db2.gz OJYJVKPOXDYZNE-SECBINFHSA-N 1 2 219.288 1.043 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822407047 587166643 /nfs/dbraw/zinc/16/66/43/587166643.db2.gz LRJWYDQYTMFZPN-CHWSQXEVSA-N 1 2 247.342 1.998 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000822407307 587166655 /nfs/dbraw/zinc/16/66/55/587166655.db2.gz OJYJVKPOXDYZNE-VIFPVBQESA-N 1 2 219.288 1.043 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822472641 587170228 /nfs/dbraw/zinc/17/02/28/587170228.db2.gz MLOTZZJHKLEQPX-QWHCGFSZSA-N 1 2 247.342 1.950 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)C(=O)OC ZINC000822489327 587171356 /nfs/dbraw/zinc/17/13/56/587171356.db2.gz AHIVNALNGSYUGG-GUBZILKMSA-N 1 2 227.329 1.035 20 30 BDEDLO CC#CCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823943548 587246667 /nfs/dbraw/zinc/24/66/67/587246667.db2.gz QJMPCCNVVSCNCS-UHFFFAOYSA-N 1 2 228.259 1.005 20 30 BDEDLO C[C@H](C#N)N(C(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000825104788 587304892 /nfs/dbraw/zinc/30/48/92/587304892.db2.gz DHHLNNRMFRSVID-QLCVYAKKSA-N 1 2 244.298 1.336 20 30 BDEDLO C#CCN(Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000825520248 587322382 /nfs/dbraw/zinc/32/23/82/587322382.db2.gz YBRPCSOKPUZELN-UHFFFAOYSA-N 1 2 215.300 1.427 20 30 BDEDLO C#CC[N@@H+](Cc1c(C2CC2)cnn1C)C1CC1 ZINC000825519700 587322412 /nfs/dbraw/zinc/32/24/12/587322412.db2.gz KEUQDMWUTRPTIT-UHFFFAOYSA-N 1 2 229.327 1.895 20 30 BDEDLO C#CC[N@H+](Cc1c(C2CC2)cnn1C)C1CC1 ZINC000825519700 587322414 /nfs/dbraw/zinc/32/24/14/587322414.db2.gz KEUQDMWUTRPTIT-UHFFFAOYSA-N 1 2 229.327 1.895 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000825710032 587333651 /nfs/dbraw/zinc/33/36/51/587333651.db2.gz FWJPGJMUNDFNEO-MRVPVSSYSA-N 1 2 245.248 1.892 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000825710032 587333652 /nfs/dbraw/zinc/33/36/52/587333652.db2.gz FWJPGJMUNDFNEO-MRVPVSSYSA-N 1 2 245.248 1.892 20 30 BDEDLO CC#CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826703901 587359619 /nfs/dbraw/zinc/35/96/19/587359619.db2.gz MLPMOMISLWEIHP-CYBMUJFWSA-N 1 2 228.295 1.313 20 30 BDEDLO CC#CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826703901 587359620 /nfs/dbraw/zinc/35/96/20/587359620.db2.gz MLPMOMISLWEIHP-CYBMUJFWSA-N 1 2 228.295 1.313 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1csnn1)[C@@H]1CCCO1 ZINC000828954962 587475461 /nfs/dbraw/zinc/47/54/61/587475461.db2.gz YYZLPMZFLRVRGA-YWVKMMECSA-N 1 2 237.328 1.370 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000829302830 587491811 /nfs/dbraw/zinc/49/18/11/587491811.db2.gz MMJVRZDJGNWIJO-SNVBAGLBSA-N 1 2 233.764 1.947 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829302830 587491813 /nfs/dbraw/zinc/49/18/13/587491813.db2.gz MMJVRZDJGNWIJO-SNVBAGLBSA-N 1 2 233.764 1.947 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000834658920 587763115 /nfs/dbraw/zinc/76/31/15/587763115.db2.gz AKPZVRZYDVPLNB-JTQLQIEISA-N 1 2 219.288 1.519 20 30 BDEDLO C=CC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000835323537 587796283 /nfs/dbraw/zinc/79/62/83/587796283.db2.gz NQGFNUOAATZDMR-UHFFFAOYSA-N 1 2 222.288 1.718 20 30 BDEDLO C=CC(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835370363 587798719 /nfs/dbraw/zinc/79/87/19/587798719.db2.gz FQYNUXNJKMKMOP-JTQLQIEISA-N 1 2 229.295 1.786 20 30 BDEDLO C=CC(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835370363 587798720 /nfs/dbraw/zinc/79/87/20/587798720.db2.gz FQYNUXNJKMKMOP-JTQLQIEISA-N 1 2 229.295 1.786 20 30 BDEDLO C#C[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000836407151 587832694 /nfs/dbraw/zinc/83/26/94/587832694.db2.gz NGZQUHJTNHIQNT-VHSXEESVSA-N 1 2 234.303 1.285 20 30 BDEDLO C=CC[C@H](CC)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836442164 587833545 /nfs/dbraw/zinc/83/35/45/587833545.db2.gz SYFHJACHKHTEHV-WDEREUQCSA-N 1 2 248.330 1.982 20 30 BDEDLO CN1C(=O)C2(CCCC2)[NH2+][C@]12CCC[C@H](C#N)C2 ZINC000840818249 587923223 /nfs/dbraw/zinc/92/32/23/587923223.db2.gz MRJUKGUGZLOWCP-SMDDNHRTSA-N 1 2 247.342 1.771 20 30 BDEDLO CN1C(=O)C2(CCCC2)[NH2+][C@@]12CCC[C@@H](C#N)C2 ZINC000840818248 587923406 /nfs/dbraw/zinc/92/34/06/587923406.db2.gz MRJUKGUGZLOWCP-RISCZKNCSA-N 1 2 247.342 1.771 20 30 BDEDLO CCn1c[nH+]cc1C=NNC1CCCC1 ZINC000841627440 587961375 /nfs/dbraw/zinc/96/13/75/587961375.db2.gz QLYKGZNUKPHVAL-UHFFFAOYSA-N 1 2 206.293 1.769 20 30 BDEDLO C=CCON=CC(C)(C)[NH+]1CCOCC1 ZINC000841639919 587965168 /nfs/dbraw/zinc/96/51/68/587965168.db2.gz AYXIXUALCSJVIV-UHFFFAOYSA-N 1 2 212.293 1.286 20 30 BDEDLO OC[C@H]1CCCN1N=Cc1cccc2[nH+]ccn21 ZINC000841662474 587970850 /nfs/dbraw/zinc/97/08/50/587970850.db2.gz XBTNHMQYESZMKJ-GFCCVEGCSA-N 1 2 244.298 1.125 20 30 BDEDLO CCCO[NH+]=Cc1c(Cl)nc(N)n1C ZINC000842551550 588041302 /nfs/dbraw/zinc/04/13/02/588041302.db2.gz SEPJPAZFVWKWLZ-UHFFFAOYSA-N 1 2 216.672 1.416 20 30 BDEDLO CC#CCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842658076 588049978 /nfs/dbraw/zinc/04/99/78/588049978.db2.gz WLXWHUOZVNOTFL-LLVKDONJSA-N 1 2 240.303 1.094 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000843677369 588131872 /nfs/dbraw/zinc/13/18/72/588131872.db2.gz FCQSHLRCWXZIJZ-CYBMUJFWSA-N 1 2 245.326 1.535 20 30 BDEDLO Cc1nc(N)c(CNC(=O)C#CC(C)(C)C)c[nH+]1 ZINC000843883787 588147374 /nfs/dbraw/zinc/14/73/74/588147374.db2.gz JZOWLKBZGNZUHQ-UHFFFAOYSA-N 1 2 246.314 1.033 20 30 BDEDLO NC(=O)[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000844269696 588178485 /nfs/dbraw/zinc/17/84/85/588178485.db2.gz CURXHUBFPRYWKB-QWEZCVQOSA-N 1 2 218.256 1.075 20 30 BDEDLO C#CC[N@H+](Cc1cc2n(n1)CCC2)C1CC1 ZINC000844316947 588181586 /nfs/dbraw/zinc/18/15/86/588181586.db2.gz JDTGDYJNBIPAFR-UHFFFAOYSA-N 1 2 215.300 1.427 20 30 BDEDLO C#CC[N@@H+](Cc1cc2n(n1)CCC2)C1CC1 ZINC000844316947 588181587 /nfs/dbraw/zinc/18/15/87/588181587.db2.gz JDTGDYJNBIPAFR-UHFFFAOYSA-N 1 2 215.300 1.427 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844325066 588181755 /nfs/dbraw/zinc/18/17/55/588181755.db2.gz SMFIIQKEUGRSCF-LLVKDONJSA-N 1 2 217.316 1.673 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844325066 588181757 /nfs/dbraw/zinc/18/17/57/588181757.db2.gz SMFIIQKEUGRSCF-LLVKDONJSA-N 1 2 217.316 1.673 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc2n(n1)CCCC2 ZINC000844301142 588182521 /nfs/dbraw/zinc/18/25/21/588182521.db2.gz SMEZZUCTZJWIBZ-UHFFFAOYSA-N 1 2 217.316 1.675 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc2n(n1)CCCC2 ZINC000844301142 588182523 /nfs/dbraw/zinc/18/25/23/588182523.db2.gz SMEZZUCTZJWIBZ-UHFFFAOYSA-N 1 2 217.316 1.675 20 30 BDEDLO N#CCC[C@H](C#N)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455538 588196358 /nfs/dbraw/zinc/19/63/58/588196358.db2.gz VQUBENUDXAUMHQ-BBBLOLIVSA-N 1 2 225.242 1.627 20 30 BDEDLO N#CCC[C@H](C#N)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455538 588196359 /nfs/dbraw/zinc/19/63/59/588196359.db2.gz VQUBENUDXAUMHQ-BBBLOLIVSA-N 1 2 225.242 1.627 20 30 BDEDLO CC/C=C(\C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844529777 588200785 /nfs/dbraw/zinc/20/07/85/588200785.db2.gz WXWIGSUSPPYUMB-PMDBQALLSA-N 1 2 223.320 1.303 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccco1 ZINC000844531226 588201015 /nfs/dbraw/zinc/20/10/15/588201015.db2.gz NGSNOACBRNXLMX-KTRBRXNASA-N 1 2 247.298 1.253 20 30 BDEDLO C=C(C)CO[NH+]=C1CCCc2nc(N)ncc21 ZINC000844619151 588209073 /nfs/dbraw/zinc/20/90/73/588209073.db2.gz CFEFYGUUMNLXPW-UHFFFAOYSA-N 1 2 232.287 1.692 20 30 BDEDLO C=C(C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278103 588225256 /nfs/dbraw/zinc/22/52/56/588225256.db2.gz LRHVXZPRAHFCHO-SNVBAGLBSA-N 1 2 208.261 1.954 20 30 BDEDLO C#CCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845282334 588225314 /nfs/dbraw/zinc/22/53/14/588225314.db2.gz NZHFFKQAVMRDLD-NSHDSACASA-N 1 2 220.272 1.791 20 30 BDEDLO CC[C@H](C#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283728 588225792 /nfs/dbraw/zinc/22/57/92/588225792.db2.gz GPQCEPYZYGPRED-VHSXEESVSA-N 1 2 221.260 1.680 20 30 BDEDLO C[C@H](CC#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845468518 588229757 /nfs/dbraw/zinc/22/97/57/588229757.db2.gz MWBDJNLATXZWDL-VHSXEESVSA-N 1 2 221.260 1.680 20 30 BDEDLO CC[C@@H](C#N)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000845859440 588248438 /nfs/dbraw/zinc/24/84/38/588248438.db2.gz XAMBEVKMWDVFCS-JTQLQIEISA-N 1 2 246.314 1.944 20 30 BDEDLO C=CCONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846247991 588262398 /nfs/dbraw/zinc/26/23/98/588262398.db2.gz BXHMPUGPHOBUMA-VIFPVBQESA-N 1 2 209.249 1.068 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000846535727 588271510 /nfs/dbraw/zinc/27/15/10/588271510.db2.gz LHUQMZRHCPRODP-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO CC(=O)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000846953022 588298397 /nfs/dbraw/zinc/29/83/97/588298397.db2.gz UXFUJBGIPCFHSG-GFCCVEGCSA-N 1 2 233.315 1.731 20 30 BDEDLO CCCCCCNC(=O)C[NH2+][C@H](CC)CC#N ZINC000846992632 588300806 /nfs/dbraw/zinc/30/08/06/588300806.db2.gz LSLBFUHBAMYWSO-GFCCVEGCSA-N 1 2 239.363 1.965 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000847022124 588302858 /nfs/dbraw/zinc/30/28/58/588302858.db2.gz SJSSSKNJRISORM-MNOVXSKESA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000847022124 588302859 /nfs/dbraw/zinc/30/28/59/588302859.db2.gz SJSSSKNJRISORM-MNOVXSKESA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC000847023160 588303105 /nfs/dbraw/zinc/30/31/05/588303105.db2.gz ZGQHKQISRSYRSQ-CYBMUJFWSA-N 1 2 246.358 1.842 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC000847023160 588303106 /nfs/dbraw/zinc/30/31/06/588303106.db2.gz ZGQHKQISRSYRSQ-CYBMUJFWSA-N 1 2 246.358 1.842 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC000847023163 588303164 /nfs/dbraw/zinc/30/31/64/588303164.db2.gz ZGQHKQISRSYRSQ-ZDUSSCGKSA-N 1 2 246.358 1.842 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC000847023163 588303165 /nfs/dbraw/zinc/30/31/65/588303165.db2.gz ZGQHKQISRSYRSQ-ZDUSSCGKSA-N 1 2 246.358 1.842 20 30 BDEDLO Cc1noc([C@@H](C)[N@H+](C)CCO[C@@H](C)C#N)n1 ZINC000847067697 588305740 /nfs/dbraw/zinc/30/57/40/588305740.db2.gz YYSPDKNRVDLZGI-DTWKUNHWSA-N 1 2 238.291 1.300 20 30 BDEDLO Cc1noc([C@@H](C)[N@@H+](C)CCO[C@@H](C)C#N)n1 ZINC000847067697 588305739 /nfs/dbraw/zinc/30/57/39/588305739.db2.gz YYSPDKNRVDLZGI-DTWKUNHWSA-N 1 2 238.291 1.300 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000847105459 588306216 /nfs/dbraw/zinc/30/62/16/588306216.db2.gz VKARSVIQJVELIA-SECBINFHSA-N 1 2 207.277 1.423 20 30 BDEDLO C#CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000848238112 588366486 /nfs/dbraw/zinc/36/64/86/588366486.db2.gz NDUIRVWPWUEBLI-LLVKDONJSA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000848238112 588366487 /nfs/dbraw/zinc/36/64/87/588366487.db2.gz NDUIRVWPWUEBLI-LLVKDONJSA-N 1 2 245.326 1.460 20 30 BDEDLO C[C@@H]1CC(=NNCCCn2cc[nH+]c2)[C@@H](C)O1 ZINC000848416543 588381339 /nfs/dbraw/zinc/38/13/39/588381339.db2.gz OTUDMWYIVZFGRV-GHMZBOCLSA-N 1 2 236.319 1.416 20 30 BDEDLO CCOCC(C)N=NCCCn1cc[nH+]c1 ZINC000848418651 588382003 /nfs/dbraw/zinc/38/20/03/588382003.db2.gz RILJJMATCIYMPR-UHFFFAOYSA-N 1 2 224.308 1.275 20 30 BDEDLO c1cc2n(c1)CCC2=NNCCCn1cc[nH+]c1 ZINC000848418770 588382373 /nfs/dbraw/zinc/38/23/73/588382373.db2.gz NBYMCIIOWKNNDJ-UHFFFAOYSA-N 1 2 243.314 1.472 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1nccs1 ZINC000848417519 588382585 /nfs/dbraw/zinc/38/25/85/588382585.db2.gz APZDZRVKSKUFMK-UHFFFAOYSA-N 1 2 249.343 1.744 20 30 BDEDLO C[C@@H]1CC(=NNCCCn2cc[nH+]c2)CCO1 ZINC000848418855 588382592 /nfs/dbraw/zinc/38/25/92/588382592.db2.gz QFXKPPAZLVDVNZ-LLVKDONJSA-N 1 2 236.319 1.418 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000848493359 588386798 /nfs/dbraw/zinc/38/67/98/588386798.db2.gz MJEFTNNBKMOJKJ-GFCCVEGCSA-N 1 2 241.294 1.023 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000848493359 588386800 /nfs/dbraw/zinc/38/68/00/588386800.db2.gz MJEFTNNBKMOJKJ-GFCCVEGCSA-N 1 2 241.294 1.023 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000848493678 588388045 /nfs/dbraw/zinc/38/80/45/588388045.db2.gz PHFHMWMEUDSHPY-JTQLQIEISA-N 1 2 234.259 1.094 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000848493678 588388046 /nfs/dbraw/zinc/38/80/46/588388046.db2.gz PHFHMWMEUDSHPY-JTQLQIEISA-N 1 2 234.259 1.094 20 30 BDEDLO C#C[C@@H]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000848749693 588411222 /nfs/dbraw/zinc/41/12/22/588411222.db2.gz JLSQQNNZZIQVSZ-LLVKDONJSA-N 1 2 245.330 1.096 20 30 BDEDLO C#C[C@@H]1CCCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000848749693 588411224 /nfs/dbraw/zinc/41/12/24/588411224.db2.gz JLSQQNNZZIQVSZ-LLVKDONJSA-N 1 2 245.330 1.096 20 30 BDEDLO C#C[C@H]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000848749694 588411326 /nfs/dbraw/zinc/41/13/26/588411326.db2.gz JLSQQNNZZIQVSZ-NSHDSACASA-N 1 2 245.330 1.096 20 30 BDEDLO C#C[C@H]1CCCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000848749694 588411327 /nfs/dbraw/zinc/41/13/27/588411327.db2.gz JLSQQNNZZIQVSZ-NSHDSACASA-N 1 2 245.330 1.096 20 30 BDEDLO COC(=O)/C=C/c1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000848902269 588418665 /nfs/dbraw/zinc/41/86/65/588418665.db2.gz MLNPYVBDPNVKCV-BRAIEQGRSA-N 1 2 248.282 1.715 20 30 BDEDLO COc1cc(C[NH+]2CCC(C#N)CC2)on1 ZINC000851739972 588621334 /nfs/dbraw/zinc/62/13/34/588621334.db2.gz JNDDIOZTTHEQNU-UHFFFAOYSA-N 1 2 221.260 1.419 20 30 BDEDLO CCc1nnc([C@@H](C)[NH+]2CCC(C#N)CC2)[nH]1 ZINC000851740621 588621528 /nfs/dbraw/zinc/62/15/28/588621528.db2.gz UOZTYAVLJLECNA-SECBINFHSA-N 1 2 233.319 1.664 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851744918 588621818 /nfs/dbraw/zinc/62/18/18/588621818.db2.gz RRHRENQAYQOBLL-ZJUUUORDSA-N 1 2 212.293 1.229 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851744918 588621819 /nfs/dbraw/zinc/62/18/19/588621819.db2.gz RRHRENQAYQOBLL-ZJUUUORDSA-N 1 2 212.293 1.229 20 30 BDEDLO C#CC[N@H+](C)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000851978534 588650636 /nfs/dbraw/zinc/65/06/36/588650636.db2.gz NINMRWPDLAHYQN-UHFFFAOYSA-N 1 2 219.288 1.028 20 30 BDEDLO C#CC[N@@H+](C)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000851978534 588650637 /nfs/dbraw/zinc/65/06/37/588650637.db2.gz NINMRWPDLAHYQN-UHFFFAOYSA-N 1 2 219.288 1.028 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000851986364 588651835 /nfs/dbraw/zinc/65/18/35/588651835.db2.gz JLFYNCXIRKULGR-UHFFFAOYSA-N 1 2 237.259 1.735 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000851986364 588651836 /nfs/dbraw/zinc/65/18/36/588651836.db2.gz JLFYNCXIRKULGR-UHFFFAOYSA-N 1 2 237.259 1.735 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(COC)n1 ZINC000852101844 588663138 /nfs/dbraw/zinc/66/31/38/588663138.db2.gz VBDTZHXKMWGFDD-NSHDSACASA-N 1 2 223.276 1.108 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CCOC)no1 ZINC000852103063 588663412 /nfs/dbraw/zinc/66/34/12/588663412.db2.gz WWGKWAKKCAFPOU-LBPRGKRZSA-N 1 2 237.303 1.150 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nccc(N)n1 ZINC000852103782 588663718 /nfs/dbraw/zinc/66/37/18/588663718.db2.gz QTJBCHPLIXKUKS-CABZTGNLSA-N 1 2 218.304 1.511 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852274504 588675399 /nfs/dbraw/zinc/67/53/99/588675399.db2.gz BZOPZVMMCJGNMD-SNVBAGLBSA-N 1 2 234.303 1.353 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852274504 588675400 /nfs/dbraw/zinc/67/54/00/588675400.db2.gz BZOPZVMMCJGNMD-SNVBAGLBSA-N 1 2 234.303 1.353 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852277918 588675498 /nfs/dbraw/zinc/67/54/98/588675498.db2.gz SALDETKZYUHQPM-NXEZZACHSA-N 1 2 234.303 1.192 20 30 BDEDLO C#CCC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000852471727 588683295 /nfs/dbraw/zinc/68/32/95/588683295.db2.gz FGNNXNDSOIEHAR-AULYBMBSSA-N 1 2 223.316 1.721 20 30 BDEDLO Cc1c[nH]c(CN2CCC(C#N)CC2)[nH+]1 ZINC000862236968 589196211 /nfs/dbraw/zinc/19/62/11/589196211.db2.gz TWQOZNGVGLGHJW-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1c[nH]c(C[NH+]2CCC(C#N)CC2)n1 ZINC000862236968 589196212 /nfs/dbraw/zinc/19/62/12/589196212.db2.gz TWQOZNGVGLGHJW-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO C#CCN(CC#CC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000862246264 589196792 /nfs/dbraw/zinc/19/67/92/589196792.db2.gz DPVGJFNHYFYRKK-UHFFFAOYSA-N 1 2 215.300 1.485 20 30 BDEDLO N#CCC1C[NH+](Cc2ccnc(F)c2)C1 ZINC000862412974 589211141 /nfs/dbraw/zinc/21/11/41/589211141.db2.gz VJSLODDNOMUBCG-UHFFFAOYSA-N 1 2 205.236 1.566 20 30 BDEDLO C#CCN[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863118451 589260114 /nfs/dbraw/zinc/26/01/14/589260114.db2.gz XYOIAWAUHPVBOL-UHFFFAOYSA-N 1 2 237.253 1.588 20 30 BDEDLO CCO[C@H]1CC(=[NH+]n2cccn2)[C@@H]1SC ZINC000863163803 589266184 /nfs/dbraw/zinc/26/61/84/589266184.db2.gz PQDBXAUHDPNISW-UWVGGRQHSA-N 1 2 225.317 1.628 20 30 BDEDLO Cc1ncc(CO)c(/C=[NH+]\CC2CC=CC2)c1O ZINC000864345428 589354112 /nfs/dbraw/zinc/35/41/12/589354112.db2.gz WOHQCLSPHMHXRF-NVNXTCNLSA-N 1 2 246.310 1.973 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn(C2CC2)cn1)[C@H]1CCCO1 ZINC000865530910 589443583 /nfs/dbraw/zinc/44/35/83/589443583.db2.gz CXWPVHMUPMKXFF-UONOGXRCSA-N 1 2 245.326 1.488 20 30 BDEDLO C#CCOCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865674831 589454859 /nfs/dbraw/zinc/45/48/59/589454859.db2.gz PKSPVGKNCHECLN-UHFFFAOYSA-N 1 2 233.315 1.737 20 30 BDEDLO C[C@@H](O)c1ccc(NCCCC#N)[nH+]c1 ZINC000865670675 589455392 /nfs/dbraw/zinc/45/53/92/589455392.db2.gz CVKSRKFUUUAUKK-SECBINFHSA-N 1 2 205.261 1.851 20 30 BDEDLO COCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866213894 589480775 /nfs/dbraw/zinc/48/07/75/589480775.db2.gz BWBDYVOXPDWWGU-SECBINFHSA-N 1 2 220.272 1.561 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867880078 589538095 /nfs/dbraw/zinc/53/80/95/589538095.db2.gz JMXYIAWTNGBXCF-ONGXEEELSA-N 1 2 235.287 1.010 20 30 BDEDLO C=C1CC(C)(C(=O)NC2=[NH+]C[C@H](C)S2)C1 ZINC000868971162 589584285 /nfs/dbraw/zinc/58/42/85/589584285.db2.gz ZSHLRLTUXKSXEW-QMMMGPOBSA-N 1 2 224.329 1.950 20 30 BDEDLO c1[nH+]c(CN=Nc2cnccn2)cn1C1CC1 ZINC000872341395 589914388 /nfs/dbraw/zinc/91/43/88/589914388.db2.gz QUEFLJLIKKPMNQ-UHFFFAOYSA-N 1 2 228.259 1.454 20 30 BDEDLO C#CCO[NH+]=Cc1cc(F)ccc1N(C)C ZINC000872375237 589925273 /nfs/dbraw/zinc/92/52/73/589925273.db2.gz WNEAMTQOLKCLOQ-UHFFFAOYSA-N 1 2 220.247 1.875 20 30 BDEDLO Cc1nnc(N=NCc2cn(C3CC3)c[nH+]2)n1C ZINC000872390665 589931023 /nfs/dbraw/zinc/93/10/23/589931023.db2.gz QJFDKCTXZGEXFN-UHFFFAOYSA-N 1 2 245.290 1.101 20 30 BDEDLO N#CC1CC[NH+](CN2CCC3(CCC3)C2=O)CC1 ZINC000872574071 589953240 /nfs/dbraw/zinc/95/32/40/589953240.db2.gz XZMSQFVXDXNAJP-UHFFFAOYSA-N 1 2 247.342 1.582 20 30 BDEDLO C#CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000873821607 590073220 /nfs/dbraw/zinc/07/32/20/590073220.db2.gz MOOPTUURQBPKSS-MRVPVSSYSA-N 1 2 245.204 1.126 20 30 BDEDLO CCc1c[nH]c(CC(=O)N2CCC(C#N)CC2)[nH+]1 ZINC000874252335 590099461 /nfs/dbraw/zinc/09/94/61/590099461.db2.gz KHMRLTVZSFOSCJ-UHFFFAOYSA-N 1 2 246.314 1.277 20 30 BDEDLO C=C(C)CCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000125057975 590116542 /nfs/dbraw/zinc/11/65/42/590116542.db2.gz VZCXLHRZQOOQIA-NSHDSACASA-N 1 2 243.372 1.933 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876618022 590222688 /nfs/dbraw/zinc/22/26/88/590222688.db2.gz YSQOYJNFZXJOSC-JTQLQIEISA-N 1 2 243.314 1.560 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876618022 590222689 /nfs/dbraw/zinc/22/26/89/590222689.db2.gz YSQOYJNFZXJOSC-JTQLQIEISA-N 1 2 243.314 1.560 20 30 BDEDLO N#C[C@@H]1C[N@H+](CCC[C@H]2CCO2)CCN1C1CC1 ZINC000876735080 590234505 /nfs/dbraw/zinc/23/45/05/590234505.db2.gz YVTOKDPCYUHWDY-KGLIPLIRSA-N 1 2 249.358 1.228 20 30 BDEDLO N#C[C@@H]1C[N@@H+](CCC[C@H]2CCO2)CCN1C1CC1 ZINC000876735080 590234508 /nfs/dbraw/zinc/23/45/08/590234508.db2.gz YVTOKDPCYUHWDY-KGLIPLIRSA-N 1 2 249.358 1.228 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OCC)[nH]1 ZINC000876744942 590235810 /nfs/dbraw/zinc/23/58/10/590235810.db2.gz HUXNMRJQOOBLGE-UHFFFAOYSA-N 1 2 244.294 1.260 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C(=O)OC ZINC000877582531 590366747 /nfs/dbraw/zinc/36/67/47/590366747.db2.gz ADEAQBGMKDBSHB-VGMNWLOBSA-N 1 2 231.242 1.185 20 30 BDEDLO C=CC(C)(C)CC(=O)NC1=[NH+]CCS1 ZINC000877963948 590459503 /nfs/dbraw/zinc/45/95/03/590459503.db2.gz TUKPTLKIBMQKDC-UHFFFAOYSA-N 1 2 212.318 1.808 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(O)c1 ZINC000878164601 590511249 /nfs/dbraw/zinc/51/12/49/590511249.db2.gz KDVMOJGUBQLNKR-CYBMUJFWSA-N 1 2 249.310 1.942 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(O)c1 ZINC000878164601 590511251 /nfs/dbraw/zinc/51/12/51/590511251.db2.gz KDVMOJGUBQLNKR-CYBMUJFWSA-N 1 2 249.310 1.942 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000878217008 590524703 /nfs/dbraw/zinc/52/47/03/590524703.db2.gz VDZUKOMNSVDUFH-LLVKDONJSA-N 1 2 235.331 1.990 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cccnc1 ZINC000878298578 590537220 /nfs/dbraw/zinc/53/72/20/590537220.db2.gz JHUPGEUGXUCQBW-GFCCVEGCSA-N 1 2 234.299 1.631 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccnc1 ZINC000878298578 590537221 /nfs/dbraw/zinc/53/72/21/590537221.db2.gz JHUPGEUGXUCQBW-GFCCVEGCSA-N 1 2 234.299 1.631 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCOC2(CCC2)C1 ZINC000878331372 590548450 /nfs/dbraw/zinc/54/84/50/590548450.db2.gz TWVBKGLQXXEZMI-LLVKDONJSA-N 1 2 239.315 1.359 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCOC2(CCC2)C1 ZINC000878331372 590548451 /nfs/dbraw/zinc/54/84/51/590548451.db2.gz TWVBKGLQXXEZMI-LLVKDONJSA-N 1 2 239.315 1.359 20 30 BDEDLO CC[C@@H](C)[C@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000878416364 590563657 /nfs/dbraw/zinc/56/36/57/590563657.db2.gz IZWOZYOIPIPFGY-MNOVXSKESA-N 1 2 238.331 1.858 20 30 BDEDLO C#C[C@H]([NH2+]CC(F)(F)CC)[C@@H]1CCCO1 ZINC000878454382 590570331 /nfs/dbraw/zinc/57/03/31/590570331.db2.gz WTVPOQKRULJFQS-UWVGGRQHSA-N 1 2 217.259 1.802 20 30 BDEDLO C=CC[C@@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493533 590580073 /nfs/dbraw/zinc/58/00/73/590580073.db2.gz OCLNOWSKEGJOSM-RKDXNWHRSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493533 590580075 /nfs/dbraw/zinc/58/00/75/590580075.db2.gz OCLNOWSKEGJOSM-RKDXNWHRSA-N 1 2 205.248 1.653 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC000878501464 590580918 /nfs/dbraw/zinc/58/09/18/590580918.db2.gz PTFQHKIPPPISRK-UHFFFAOYSA-N 1 2 232.283 1.323 20 30 BDEDLO C#CC[N@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC000878501464 590580920 /nfs/dbraw/zinc/58/09/20/590580920.db2.gz PTFQHKIPPPISRK-UHFFFAOYSA-N 1 2 232.283 1.323 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](CC=C)CCOC ZINC000878503321 590581715 /nfs/dbraw/zinc/58/17/15/590581715.db2.gz QPODHCNQAFZUOR-NSHDSACASA-N 1 2 227.304 1.239 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](CC=C)CCOC ZINC000878503321 590581718 /nfs/dbraw/zinc/58/17/18/590581718.db2.gz QPODHCNQAFZUOR-NSHDSACASA-N 1 2 227.304 1.239 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1cnccc1C ZINC000878540537 590588565 /nfs/dbraw/zinc/58/85/65/590588565.db2.gz RQISHXSXNHAQFH-ZDUSSCGKSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cnccc1C ZINC000878540537 590588566 /nfs/dbraw/zinc/58/85/66/590588566.db2.gz RQISHXSXNHAQFH-ZDUSSCGKSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000878538616 590588742 /nfs/dbraw/zinc/58/87/42/590588742.db2.gz GGONIKCAMDWDJP-VIFPVBQESA-N 1 2 236.319 1.654 20 30 BDEDLO C=CC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878916534 590650579 /nfs/dbraw/zinc/65/05/79/590650579.db2.gz ZGLLNMIRKSDVFH-RKDXNWHRSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878916534 590650581 /nfs/dbraw/zinc/65/05/81/590650581.db2.gz ZGLLNMIRKSDVFH-RKDXNWHRSA-N 1 2 205.248 1.653 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)[C@H](C)CC(C)C ZINC000879471591 590775414 /nfs/dbraw/zinc/77/54/14/590775414.db2.gz AVEHXFGRMZLBIP-LLVKDONJSA-N 1 2 226.320 1.810 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)[C@H](C)CC(C)C ZINC000879471591 590775417 /nfs/dbraw/zinc/77/54/17/590775417.db2.gz AVEHXFGRMZLBIP-LLVKDONJSA-N 1 2 226.320 1.810 20 30 BDEDLO C=CCC[NH2+][C@H](Cc1cncs1)C(=O)OC ZINC000879985825 590903755 /nfs/dbraw/zinc/90/37/55/590903755.db2.gz AXVYIMFBLPBGKV-SNVBAGLBSA-N 1 2 240.328 1.393 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000128298651 590973912 /nfs/dbraw/zinc/97/39/12/590973912.db2.gz BSDXYWUNVFWUGN-ZDUSSCGKSA-N 1 2 232.327 1.120 20 30 BDEDLO N#CC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000881867379 591276019 /nfs/dbraw/zinc/27/60/19/591276019.db2.gz FRIJGRVQMUQOSB-UHFFFAOYSA-N 1 2 217.272 1.314 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000883006374 591507287 /nfs/dbraw/zinc/50/72/87/591507287.db2.gz QBQSSEDVFHDKSU-SSDOTTSWSA-N 1 2 242.710 1.451 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000883006374 591507292 /nfs/dbraw/zinc/50/72/92/591507292.db2.gz QBQSSEDVFHDKSU-SSDOTTSWSA-N 1 2 242.710 1.451 20 30 BDEDLO C[C@H](O[NH+]=C(N)CO)c1cccc(C#N)c1 ZINC000883012488 591512695 /nfs/dbraw/zinc/51/26/95/591512695.db2.gz IGDMNWNWGBNNOG-QMMMGPOBSA-N 1 2 219.244 1.110 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1ccc(CO)o1 ZINC000131665177 591637123 /nfs/dbraw/zinc/63/71/23/591637123.db2.gz QNCHMNHXHJVHKY-UHFFFAOYSA-N 1 2 201.653 1.614 20 30 BDEDLO C=CC(C)(C)CC(=O)OCC[NH+]1CCOCC1 ZINC000884650484 592003447 /nfs/dbraw/zinc/00/34/47/592003447.db2.gz LFTUHKYPEKPSSC-UHFFFAOYSA-N 1 2 241.331 1.464 20 30 BDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC=C(F)C2)CCC1 ZINC000886102784 592155565 /nfs/dbraw/zinc/15/55/65/592155565.db2.gz QJLXGIRSKPLSQE-LBPRGKRZSA-N 1 2 238.306 1.990 20 30 BDEDLO N#CC1(C[C@H](O)C[N@H+]2CCC=C(F)C2)CCC1 ZINC000886102784 592155567 /nfs/dbraw/zinc/15/55/67/592155567.db2.gz QJLXGIRSKPLSQE-LBPRGKRZSA-N 1 2 238.306 1.990 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886240950 592182984 /nfs/dbraw/zinc/18/29/84/592182984.db2.gz KHBWCPFFLSVPFU-JTQLQIEISA-N 1 2 234.259 1.772 20 30 BDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338201 592212302 /nfs/dbraw/zinc/21/23/02/592212302.db2.gz IHAOEJBGUUPHHL-AOOOYVTPSA-N 1 2 247.323 1.510 20 30 BDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338201 592212303 /nfs/dbraw/zinc/21/23/03/592212303.db2.gz IHAOEJBGUUPHHL-AOOOYVTPSA-N 1 2 247.323 1.510 20 30 BDEDLO Cc1ccccc1[C@@H](CO)[N@H+](C)CCC#N ZINC000886432121 592225312 /nfs/dbraw/zinc/22/53/12/592225312.db2.gz OSIRBHNDNBBRDT-CYBMUJFWSA-N 1 2 218.300 1.874 20 30 BDEDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCC#N ZINC000886432121 592225315 /nfs/dbraw/zinc/22/53/15/592225315.db2.gz OSIRBHNDNBBRDT-CYBMUJFWSA-N 1 2 218.300 1.874 20 30 BDEDLO C#CCCCC(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886614973 592275453 /nfs/dbraw/zinc/27/54/53/592275453.db2.gz RBVZZPSDOKAJMJ-UHFFFAOYSA-N 1 2 245.326 1.591 20 30 BDEDLO CCn1c[nH+]c2c1CCN(C(=O)C#CC(C)C)C2 ZINC000886611613 592276334 /nfs/dbraw/zinc/27/63/34/592276334.db2.gz JQVOHCBWTJVCRT-UHFFFAOYSA-N 1 2 245.326 1.447 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677116 592300104 /nfs/dbraw/zinc/30/01/04/592300104.db2.gz RJQAQUSNPUQGID-NSHDSACASA-N 1 2 216.288 1.570 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677116 592300110 /nfs/dbraw/zinc/30/01/10/592300110.db2.gz RJQAQUSNPUQGID-NSHDSACASA-N 1 2 216.288 1.570 20 30 BDEDLO C#CCCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109349 592682830 /nfs/dbraw/zinc/68/28/30/592682830.db2.gz LFYWMAVOZXHMMJ-UHFFFAOYSA-N 1 2 219.288 1.230 20 30 BDEDLO CCCCO[NH+]=C(N)Cc1cccnc1 ZINC000092915866 631562675 /nfs/dbraw/zinc/56/26/75/631562675.db2.gz PVYWDXGJPYIBQP-UHFFFAOYSA-N 1 2 207.277 1.713 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000934467620 631862197 /nfs/dbraw/zinc/86/21/97/631862197.db2.gz PBJBCQQMKJFUFC-LLVKDONJSA-N 1 2 244.298 1.173 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000934467620 631862202 /nfs/dbraw/zinc/86/22/02/631862202.db2.gz PBJBCQQMKJFUFC-LLVKDONJSA-N 1 2 244.298 1.173 20 30 BDEDLO Cc1nccnc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000235203609 632524925 /nfs/dbraw/zinc/52/49/25/632524925.db2.gz VCKLASZDYWUJOF-SNVBAGLBSA-N 1 2 218.304 1.985 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC)C(C)(C)C1 ZINC000972703465 632636908 /nfs/dbraw/zinc/63/69/08/632636908.db2.gz DMZLCBISSIPZDK-SNVBAGLBSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC)C(C)(C)C1 ZINC000972703465 632636911 /nfs/dbraw/zinc/63/69/11/632636911.db2.gz DMZLCBISSIPZDK-SNVBAGLBSA-N 1 2 244.766 1.976 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000291124962 632649353 /nfs/dbraw/zinc/64/93/53/632649353.db2.gz DQSNWNCHQYYUTM-UHFFFAOYSA-N 1 2 219.288 1.086 20 30 BDEDLO C#Cc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000310564751 632761147 /nfs/dbraw/zinc/76/11/47/632761147.db2.gz WZUSGFIKDLMHRB-UHFFFAOYSA-N 1 2 225.251 1.503 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000926726723 632886328 /nfs/dbraw/zinc/88/63/28/632886328.db2.gz KGOQXPHIUBZJTN-VHSXEESVSA-N 1 2 224.308 1.057 20 30 BDEDLO C=CCCOCc1nc(C[NH2+]CC)no1 ZINC000309652727 633219408 /nfs/dbraw/zinc/21/94/08/633219408.db2.gz UEXIFKPDXLPJNT-UHFFFAOYSA-N 1 2 211.265 1.272 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000310440748 636050934 /nfs/dbraw/zinc/05/09/34/636050934.db2.gz VSWTXQRWAOYFCW-LLVKDONJSA-N 1 2 232.287 1.035 20 30 BDEDLO C[C@@H](CO)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000749816949 636117419 /nfs/dbraw/zinc/11/74/19/636117419.db2.gz WOZTVGLRAPTOOT-LBPRGKRZSA-N 1 2 247.342 1.219 20 30 BDEDLO C[C@@H](CO)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000749816949 636117422 /nfs/dbraw/zinc/11/74/22/636117422.db2.gz WOZTVGLRAPTOOT-LBPRGKRZSA-N 1 2 247.342 1.219 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)Cc1ccccc1 ZINC000181588948 633920423 /nfs/dbraw/zinc/92/04/23/633920423.db2.gz RFRICEZJXAMXOF-SNVBAGLBSA-N 1 2 222.288 1.553 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000895599408 636164049 /nfs/dbraw/zinc/16/40/49/636164049.db2.gz ZNQGYMIEBHUEIS-QWRGUYRKSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930876062 634149072 /nfs/dbraw/zinc/14/90/72/634149072.db2.gz MQQPLINMDFJQGD-ZWNOBZJWSA-N 1 2 241.331 1.387 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000950043499 635250824 /nfs/dbraw/zinc/25/08/24/635250824.db2.gz PBCHTFIIEOGJCL-STQMWFEESA-N 1 2 234.343 1.200 20 30 BDEDLO C#CC[N@H+](Cc1cnc2n1CCOC2)C1CC1 ZINC000893613301 635260750 /nfs/dbraw/zinc/26/07/50/635260750.db2.gz ZQQWZGAMMBCRGJ-UHFFFAOYSA-N 1 2 231.299 1.011 20 30 BDEDLO C#CC[N@@H+](Cc1cnc2n1CCOC2)C1CC1 ZINC000893613301 635260753 /nfs/dbraw/zinc/26/07/53/635260753.db2.gz ZQQWZGAMMBCRGJ-UHFFFAOYSA-N 1 2 231.299 1.011 20 30 BDEDLO N#CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341129852 636178011 /nfs/dbraw/zinc/17/80/11/636178011.db2.gz ZUSNAEPZMITYSR-UHFFFAOYSA-N 1 2 240.266 1.516 20 30 BDEDLO Cn1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896504796 636198169 /nfs/dbraw/zinc/19/81/69/636198169.db2.gz UNVQNGPFGUKFSP-NSHDSACASA-N 1 2 203.289 1.761 20 30 BDEDLO Cn1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896504796 636198173 /nfs/dbraw/zinc/19/81/73/636198173.db2.gz UNVQNGPFGUKFSP-NSHDSACASA-N 1 2 203.289 1.761 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000928625553 636218671 /nfs/dbraw/zinc/21/86/71/636218671.db2.gz UKKNHNMJPOCUJS-LBPRGKRZSA-N 1 2 245.326 1.316 20 30 BDEDLO C#C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC000897653641 636832651 /nfs/dbraw/zinc/83/26/51/636832651.db2.gz VIJQUJGFOJYRKX-LBPRGKRZSA-N 1 2 247.342 1.701 20 30 BDEDLO C#CCCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268824 637395024 /nfs/dbraw/zinc/39/50/24/637395024.db2.gz KGAGQRATTWVDLZ-UHFFFAOYSA-N 1 2 242.282 1.978 20 30 BDEDLO CN1C[C@@H](CC/[NH+]=C/c2ccccc2O)CC1=O ZINC000905002856 637542766 /nfs/dbraw/zinc/54/27/66/637542766.db2.gz SAEKSHIGUFYSMS-ZRRZQRFHSA-N 1 2 246.310 1.680 20 30 BDEDLO N#CC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905383229 637785152 /nfs/dbraw/zinc/78/51/52/637785152.db2.gz GMCHTGSJBHAIKM-UHFFFAOYSA-N 1 2 211.265 1.327 20 30 BDEDLO Cn1nc(C2CC2)cc1C[NH2+]CCC#N ZINC000905618786 637868161 /nfs/dbraw/zinc/86/81/61/637868161.db2.gz IWVXIONBXMMROS-UHFFFAOYSA-N 1 2 204.277 1.301 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OC ZINC000905761228 637915859 /nfs/dbraw/zinc/91/58/59/637915859.db2.gz NEFQGVIFJIYIMZ-MNOVXSKESA-N 1 2 229.320 1.365 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@H]1CCCS1)C(=O)OC ZINC000905777337 637908881 /nfs/dbraw/zinc/90/88/81/637908881.db2.gz KLVCNYJBJOOJKH-MNOVXSKESA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@@H]([NH2+]CC1(COC)CC1)C(=O)OC ZINC000905781751 637910978 /nfs/dbraw/zinc/91/09/78/637910978.db2.gz YZMCQYQQYFHCBH-SNVBAGLBSA-N 1 2 227.304 1.120 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000905761015 637917046 /nfs/dbraw/zinc/91/70/46/637917046.db2.gz AFCDKSJOCPKJNG-RKDXNWHRSA-N 1 2 215.318 1.199 20 30 BDEDLO C=CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)C(=O)OC ZINC000905763856 637918794 /nfs/dbraw/zinc/91/87/94/637918794.db2.gz SSOWWXWHVJMACQ-NWDGAFQWSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)C(=O)OC ZINC000905765468 637921030 /nfs/dbraw/zinc/92/10/30/637921030.db2.gz DJUYDOAXUUBWFD-IUCAKERBSA-N 1 2 233.258 1.882 20 30 BDEDLO C=CC[C@H]([NH2+]CC1(COC)CCC1)C(=O)OC ZINC000905767420 637923191 /nfs/dbraw/zinc/92/31/91/637923191.db2.gz MEQIHCRQAXAUPZ-NSHDSACASA-N 1 2 241.331 1.510 20 30 BDEDLO C=CC[C@H]([NH2+]CCC1(OC)CCC1)C(=O)OC ZINC000905772226 637926631 /nfs/dbraw/zinc/92/66/31/637926631.db2.gz XBZZLWWVBZZRJE-NSHDSACASA-N 1 2 241.331 1.653 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CC12CCOCC2)C(=O)OC ZINC000905772261 637927579 /nfs/dbraw/zinc/92/75/79/637927579.db2.gz XSRJDAFZEUFSKF-QWRGUYRKSA-N 1 2 239.315 1.263 20 30 BDEDLO C=CC[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000905773553 637929070 /nfs/dbraw/zinc/92/90/70/637929070.db2.gz JJEBSMSVHQRGAH-JTQLQIEISA-N 1 2 211.305 1.882 20 30 BDEDLO C[C@@]1(C#N)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907336558 638348463 /nfs/dbraw/zinc/34/84/63/638348463.db2.gz LKWFGUQDAQXWTD-LBPRGKRZSA-N 1 2 232.287 1.104 20 30 BDEDLO C#C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907491383 638391668 /nfs/dbraw/zinc/39/16/68/638391668.db2.gz LINFFAXLDMCCPJ-SECBINFHSA-N 1 2 216.284 1.758 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(OC)s1 ZINC000930601171 639817004 /nfs/dbraw/zinc/81/70/04/639817004.db2.gz QPSCQXZXLSXLIH-SNVBAGLBSA-N 1 2 225.317 1.438 20 30 BDEDLO N#CCC[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930984147 640013459 /nfs/dbraw/zinc/01/34/59/640013459.db2.gz AHQSTQBJKPXCTQ-UHFFFAOYSA-N 1 2 245.326 1.365 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148692 640441115 /nfs/dbraw/zinc/44/11/15/640441115.db2.gz RGNRZNLXDIKAMW-VXGBXAGGSA-N 1 2 248.326 1.708 20 30 BDEDLO N#C[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148692 640441119 /nfs/dbraw/zinc/44/11/19/640441119.db2.gz RGNRZNLXDIKAMW-VXGBXAGGSA-N 1 2 248.326 1.708 20 30 BDEDLO C#CC[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000932384030 640510769 /nfs/dbraw/zinc/51/07/69/640510769.db2.gz MIRPSVMPINPUQB-UHFFFAOYSA-N 1 2 233.271 1.833 20 30 BDEDLO C#CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000932384030 640510772 /nfs/dbraw/zinc/51/07/72/640510772.db2.gz MIRPSVMPINPUQB-UHFFFAOYSA-N 1 2 233.271 1.833 20 30 BDEDLO C#CC[N@H+](Cc1cn(CC2CC2)nn1)C(C)(C)C ZINC000932461508 640532751 /nfs/dbraw/zinc/53/27/51/640532751.db2.gz DOOJNYCOZSBDAL-UHFFFAOYSA-N 1 2 246.358 1.922 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CC2CC2)nn1)C(C)(C)C ZINC000932461508 640532757 /nfs/dbraw/zinc/53/27/57/640532757.db2.gz DOOJNYCOZSBDAL-UHFFFAOYSA-N 1 2 246.358 1.922 20 30 BDEDLO C=C(C)CC[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001030050286 640542596 /nfs/dbraw/zinc/54/25/96/640542596.db2.gz DUYOYMBNMIMTNT-UHFFFAOYSA-N 1 2 232.274 1.408 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2C)C1 ZINC001030064011 640567652 /nfs/dbraw/zinc/56/76/52/640567652.db2.gz DYCZURRMYSESBJ-UHFFFAOYSA-N 1 2 244.338 1.985 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2O)C1 ZINC001030113147 640601519 /nfs/dbraw/zinc/60/15/19/640601519.db2.gz WBXQQFBIGPWGKP-UHFFFAOYSA-N 1 2 246.310 1.382 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2cscc2C)C1 ZINC001030199119 640673315 /nfs/dbraw/zinc/67/33/15/640673315.db2.gz YWDHMWFVUHCHRY-UHFFFAOYSA-N 1 2 248.351 1.494 20 30 BDEDLO C[N@H+](CC[N+](=O)[O-])Cc1cc(C#N)cs1 ZINC000933770293 640765728 /nfs/dbraw/zinc/76/57/28/640765728.db2.gz MMGQZNZZLFOKIO-UHFFFAOYSA-N 1 2 225.273 1.328 20 30 BDEDLO C[N@@H+](CC[N+](=O)[O-])Cc1cc(C#N)cs1 ZINC000933770293 640765732 /nfs/dbraw/zinc/76/57/32/640765732.db2.gz MMGQZNZZLFOKIO-UHFFFAOYSA-N 1 2 225.273 1.328 20 30 BDEDLO C[C@H](C#N)C[NH2+][C@H]1CCc2cccnc21 ZINC000226819198 640794307 /nfs/dbraw/zinc/79/43/07/640794307.db2.gz CINIUADJLWWLHE-KOLCDFICSA-N 1 2 201.273 1.818 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCc1[nH]c[nH+]c1C ZINC000933993660 640802203 /nfs/dbraw/zinc/80/22/03/640802203.db2.gz NGSKCIIELUSIAD-SNVBAGLBSA-N 1 2 221.304 1.937 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1[C@H](C)C(=O)OCCC ZINC000934512452 641180885 /nfs/dbraw/zinc/18/08/85/641180885.db2.gz NIBWCUPSBDQUSO-NEPJUHHUSA-N 1 2 223.316 1.816 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1[C@H](C)C(=O)OCCC ZINC000934512452 641180891 /nfs/dbraw/zinc/18/08/91/641180891.db2.gz NIBWCUPSBDQUSO-NEPJUHHUSA-N 1 2 223.316 1.816 20 30 BDEDLO CC(C)COCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000232659705 641329352 /nfs/dbraw/zinc/32/93/52/641329352.db2.gz OPDCBJGKDTYONW-LBPRGKRZSA-N 1 2 210.321 1.895 20 30 BDEDLO CC(C)COCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000232659705 641329349 /nfs/dbraw/zinc/32/93/49/641329349.db2.gz OPDCBJGKDTYONW-LBPRGKRZSA-N 1 2 210.321 1.895 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001030873474 641393663 /nfs/dbraw/zinc/39/36/63/641393663.db2.gz SDXXEMHIWQHDBJ-JSGCOSHPSA-N 1 2 248.370 1.636 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935401219 641403067 /nfs/dbraw/zinc/40/30/67/641403067.db2.gz XIVPLPDHMSBMOU-JTQLQIEISA-N 1 2 242.282 1.985 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030918742 641422017 /nfs/dbraw/zinc/42/20/17/641422017.db2.gz DSJITUOQESFDMS-WFASDCNBSA-N 1 2 248.370 1.943 20 30 BDEDLO COC(=O)/C=C(\C)C[N@H+](C)[C@H](C)CC#N ZINC000929832277 641722970 /nfs/dbraw/zinc/72/29/70/641722970.db2.gz SMTBKYSCPOSMQF-TTZKWOQHSA-N 1 2 210.277 1.340 20 30 BDEDLO COC(=O)/C=C(\C)C[N@@H+](C)[C@H](C)CC#N ZINC000929832277 641722975 /nfs/dbraw/zinc/72/29/75/641722975.db2.gz SMTBKYSCPOSMQF-TTZKWOQHSA-N 1 2 210.277 1.340 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000076185884 641796864 /nfs/dbraw/zinc/79/68/64/641796864.db2.gz PDJKOABLXIUCMZ-AWEZNQCLSA-N 1 2 249.260 1.567 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CC2(C)CC2)CC1 ZINC000949343096 641836926 /nfs/dbraw/zinc/83/69/26/641836926.db2.gz QDGVANWJTGKMIW-UHFFFAOYSA-N 1 2 234.343 1.344 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000949758040 641859125 /nfs/dbraw/zinc/85/91/25/641859125.db2.gz NYVVMUJZQZXPIW-LBPRGKRZSA-N 1 2 236.359 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC000949889019 641871691 /nfs/dbraw/zinc/87/16/91/641871691.db2.gz RDIPCURYGWEYEI-VXGBXAGGSA-N 1 2 240.322 1.455 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC2(C)C)C1 ZINC000949896271 641872578 /nfs/dbraw/zinc/87/25/78/641872578.db2.gz AUFZPNYRIRRLAM-GFCCVEGCSA-N 1 2 236.359 1.751 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)/N=C\c1ccccc1O ZINC000915979760 641891249 /nfs/dbraw/zinc/89/12/49/641891249.db2.gz SBTWZODHVTYHBV-DYTQJMLRSA-N 1 2 248.326 1.532 20 30 BDEDLO COc1cc(C[NH2+]CCC#N)cc2c1OCO2 ZINC000130615719 642272468 /nfs/dbraw/zinc/27/24/68/642272468.db2.gz DAUSUWKMZRLTKY-UHFFFAOYSA-N 1 2 234.255 1.427 20 30 BDEDLO C#CCC1([NH2+][C@H](C)c2noc(C)n2)CCC1 ZINC000933296571 642506541 /nfs/dbraw/zinc/50/65/41/642506541.db2.gz KEMONZNWRSDCTR-SECBINFHSA-N 1 2 219.288 1.975 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001017449270 642672657 /nfs/dbraw/zinc/67/26/57/642672657.db2.gz MAEDTANWDMRIER-BNOWGMLFSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001017449270 642672658 /nfs/dbraw/zinc/67/26/58/642672658.db2.gz MAEDTANWDMRIER-BNOWGMLFSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000964614476 642760529 /nfs/dbraw/zinc/76/05/29/642760529.db2.gz WTJBFKYAERFMMI-NXEZZACHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000964614476 642760535 /nfs/dbraw/zinc/76/05/35/642760535.db2.gz WTJBFKYAERFMMI-NXEZZACHSA-N 1 2 244.285 1.101 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001009828116 642841407 /nfs/dbraw/zinc/84/14/07/642841407.db2.gz ZJCMBEGZZMQPQL-JTQLQIEISA-N 1 2 228.723 1.339 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001009828116 642841410 /nfs/dbraw/zinc/84/14/10/642841410.db2.gz ZJCMBEGZZMQPQL-JTQLQIEISA-N 1 2 228.723 1.339 20 30 BDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001014377612 642887806 /nfs/dbraw/zinc/88/78/06/642887806.db2.gz SQTPKVFXOGGZSC-NSHDSACASA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001014377612 642887808 /nfs/dbraw/zinc/88/78/08/642887808.db2.gz SQTPKVFXOGGZSC-NSHDSACASA-N 1 2 248.351 1.494 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001014536356 642891766 /nfs/dbraw/zinc/89/17/66/642891766.db2.gz ZJUVFCQUCKRYAJ-SNVBAGLBSA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001014536356 642891770 /nfs/dbraw/zinc/89/17/70/642891770.db2.gz ZJUVFCQUCKRYAJ-SNVBAGLBSA-N 1 2 242.750 1.730 20 30 BDEDLO C#CCCS(=O)(=O)N(CC)c1cc[nH+]cc1 ZINC000279324568 643037012 /nfs/dbraw/zinc/03/70/12/643037012.db2.gz GPKVSARXEVJZRB-UHFFFAOYSA-N 1 2 238.312 1.261 20 30 BDEDLO C=C(C)C[N@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000182619062 643042890 /nfs/dbraw/zinc/04/28/90/643042890.db2.gz HSMMLQGZBVILRS-UHFFFAOYSA-N 1 2 224.304 1.237 20 30 BDEDLO C=C(C)C[N@@H+](C)CN1C(=O)CC(C)(C)C1=O ZINC000182619062 643042898 /nfs/dbraw/zinc/04/28/98/643042898.db2.gz HSMMLQGZBVILRS-UHFFFAOYSA-N 1 2 224.304 1.237 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000235522005 643403661 /nfs/dbraw/zinc/40/36/61/643403661.db2.gz KSCBPHTXJKVFBM-VIFPVBQESA-N 1 2 206.293 1.144 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)F ZINC001032247700 643398883 /nfs/dbraw/zinc/39/88/83/643398883.db2.gz UFDSNDDVJUCLSW-QWRGUYRKSA-N 1 2 238.306 1.043 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)F ZINC001032247700 643398884 /nfs/dbraw/zinc/39/88/84/643398884.db2.gz UFDSNDDVJUCLSW-QWRGUYRKSA-N 1 2 238.306 1.043 20 30 BDEDLO CC(=[NH+]NC[C@@H](C)O)c1cc(F)c(N)c(F)c1 ZINC000814961988 643515581 /nfs/dbraw/zinc/51/55/81/643515581.db2.gz XVEPDJKSTCVSRE-ZCFIWIBFSA-N 1 2 243.257 1.241 20 30 BDEDLO N#C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000921549633 643601105 /nfs/dbraw/zinc/60/11/05/643601105.db2.gz DPVFOELGAYAPKP-JTQLQIEISA-N 1 2 232.287 1.151 20 30 BDEDLO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cn(C)nn1 ZINC000922631250 644045209 /nfs/dbraw/zinc/04/52/09/644045209.db2.gz UYEISBVKJNDIGV-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000951130894 644195953 /nfs/dbraw/zinc/19/59/53/644195953.db2.gz RQJYNFHAMXIIEW-LBPRGKRZSA-N 1 2 224.348 1.609 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC23CC3)C1 ZINC000952357640 644376446 /nfs/dbraw/zinc/37/64/46/644376446.db2.gz PBNALXWEMBEPLL-ZDUSSCGKSA-N 1 2 248.370 1.895 20 30 BDEDLO CC[C@H](C)CO[NH+]=C(N)Cc1cccnc1 ZINC000092917047 644672898 /nfs/dbraw/zinc/67/28/98/644672898.db2.gz QZPYZXGMFHHDKW-JTQLQIEISA-N 1 2 221.304 1.959 20 30 BDEDLO N#Cc1ccncc1C(=O)OCCn1cc[nH+]c1 ZINC000805718044 644739515 /nfs/dbraw/zinc/73/95/15/644739515.db2.gz HDZIKXPKVAATJW-UHFFFAOYSA-N 1 2 242.238 1.007 20 30 BDEDLO C#CCCCC(=O)OCCc1c[nH+]cn1C ZINC000793244408 644802504 /nfs/dbraw/zinc/80/25/04/644802504.db2.gz YJNCHCHDJHTLNQ-UHFFFAOYSA-N 1 2 220.272 1.309 20 30 BDEDLO C#CC1CC[NH+](Cc2nnnn2CCCC)CC1 ZINC000830301191 645117791 /nfs/dbraw/zinc/11/77/91/645117791.db2.gz HLTKSUUFLAHKOG-UHFFFAOYSA-N 1 2 247.346 1.318 20 30 BDEDLO C=CC(C)(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000835267930 645166216 /nfs/dbraw/zinc/16/62/16/645166216.db2.gz VGMFOPYZLCKQTL-LLVKDONJSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845445756 645362566 /nfs/dbraw/zinc/36/25/66/645362566.db2.gz DVDMGGKZKWJAIV-UHFFFAOYSA-N 1 2 220.272 1.491 20 30 BDEDLO C=CCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928642053 645852324 /nfs/dbraw/zinc/85/23/24/645852324.db2.gz YRSUMAGUGUJZCH-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCCCn1cc[nH+]c1 ZINC000929155345 645977117 /nfs/dbraw/zinc/97/71/17/645977117.db2.gz ABDHHZQUTOPRCM-GFCCVEGCSA-N 1 2 235.331 1.992 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000930157483 646463944 /nfs/dbraw/zinc/46/39/44/646463944.db2.gz FVVOJMQVJMTNLG-LLVKDONJSA-N 1 2 234.274 1.458 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000930157483 646463947 /nfs/dbraw/zinc/46/39/47/646463947.db2.gz FVVOJMQVJMTNLG-LLVKDONJSA-N 1 2 234.274 1.458 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)C2CCC2)C1 ZINC001030506986 711835630 /nfs/dbraw/zinc/83/56/30/711835630.db2.gz XHZYMYNEGYLHAA-LLVKDONJSA-N 1 2 234.343 1.246 20 30 BDEDLO C#C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCO1 ZINC000379946485 712635867 /nfs/dbraw/zinc/63/58/67/712635867.db2.gz DCFVIVNEMABKBU-QWRGUYRKSA-N 1 2 204.273 1.061 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001038001710 712897761 /nfs/dbraw/zinc/89/77/61/712897761.db2.gz SLKZKYVZAYQXIF-LBPRGKRZSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001038001710 712897762 /nfs/dbraw/zinc/89/77/62/712897762.db2.gz SLKZKYVZAYQXIF-LBPRGKRZSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001038018936 712899028 /nfs/dbraw/zinc/89/90/28/712899028.db2.gz QFQPBJRDYPQEQK-ZDUSSCGKSA-N 1 2 246.285 1.263 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001038018936 712899029 /nfs/dbraw/zinc/89/90/29/712899029.db2.gz QFQPBJRDYPQEQK-ZDUSSCGKSA-N 1 2 246.285 1.263 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001038611550 710699938 /nfs/dbraw/zinc/69/99/38/710699938.db2.gz QJUABZPHTHWOTJ-NSHDSACASA-N 1 2 234.299 1.578 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001038611550 710699939 /nfs/dbraw/zinc/69/99/39/710699939.db2.gz QJUABZPHTHWOTJ-NSHDSACASA-N 1 2 234.299 1.578 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001038618330 710700173 /nfs/dbraw/zinc/70/01/73/710700173.db2.gz BNQMGXXPPALOMD-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001038618330 710700178 /nfs/dbraw/zinc/70/01/78/710700178.db2.gz BNQMGXXPPALOMD-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nccs1 ZINC001038848137 710712655 /nfs/dbraw/zinc/71/26/55/710712655.db2.gz YUELPLBHTRYRGR-VIFPVBQESA-N 1 2 237.328 1.133 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nccs1 ZINC001038848137 710712659 /nfs/dbraw/zinc/71/26/59/710712659.db2.gz YUELPLBHTRYRGR-VIFPVBQESA-N 1 2 237.328 1.133 20 30 BDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OC1CCCC1 ZINC000382106005 710785560 /nfs/dbraw/zinc/78/55/60/710785560.db2.gz IHQUOLWSAKALKG-UHFFFAOYSA-N 1 2 242.710 1.779 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2=CCCC2)C1 ZINC001042611211 710794468 /nfs/dbraw/zinc/79/44/68/710794468.db2.gz WRKUIXDGPKKGCE-UHFFFAOYSA-N 1 2 220.316 1.425 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001043156979 710804565 /nfs/dbraw/zinc/80/45/65/710804565.db2.gz DCJUAWDNKKYMQT-DYEKYZERSA-N 1 2 248.370 1.751 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1nnc(CC)s1 ZINC000391918188 711142055 /nfs/dbraw/zinc/14/20/55/711142055.db2.gz CGHQYRAGIRAIDQ-QMMMGPOBSA-N 1 2 209.318 1.602 20 30 BDEDLO N#C[C@@]1(F)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893408882 711716966 /nfs/dbraw/zinc/71/69/66/711716966.db2.gz MLZPZTAXVRXVKG-NSHDSACASA-N 1 2 231.234 1.171 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1c2c(nn1C)CCC2 ZINC000893544881 711733214 /nfs/dbraw/zinc/73/32/14/711733214.db2.gz PFGSXDUJKIRCEF-SECBINFHSA-N 1 2 218.304 1.158 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038051977 711818069 /nfs/dbraw/zinc/81/80/69/711818069.db2.gz HWVOJZAIHXSHAF-STQMWFEESA-N 1 2 232.327 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038051977 711818071 /nfs/dbraw/zinc/81/80/71/711818071.db2.gz HWVOJZAIHXSHAF-STQMWFEESA-N 1 2 232.327 1.166 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)C=CCC2)C1 ZINC001030797454 711843049 /nfs/dbraw/zinc/84/30/49/711843049.db2.gz BYBADKCQUNNPRD-CQSZACIVSA-N 1 2 234.343 1.719 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nnc(C)s1)C(C)(C)C ZINC000702316098 712044325 /nfs/dbraw/zinc/04/43/25/712044325.db2.gz YUZLUNUZOMBHDO-SECBINFHSA-N 1 2 223.345 1.984 20 30 BDEDLO Nc1nc2c(s1)C(=[NH+]NCC(F)F)CCC2 ZINC000378855269 712367056 /nfs/dbraw/zinc/36/70/56/712367056.db2.gz JPHZBGSZKNAYMU-UHFFFAOYSA-N 1 2 246.286 1.451 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(C)(C)O)CC1 ZINC000716349461 712555859 /nfs/dbraw/zinc/55/58/59/712555859.db2.gz NUPSVENTOAWUKD-LLVKDONJSA-N 1 2 241.331 1.197 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000862574990 712618858 /nfs/dbraw/zinc/61/88/58/712618858.db2.gz PCIXFBPFNJRONV-LLVKDONJSA-N 1 2 231.299 1.132 20 30 BDEDLO C#CC[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000886355083 712654866 /nfs/dbraw/zinc/65/48/66/712654866.db2.gz BZYLGBNTRNORLY-JTQLQIEISA-N 1 2 231.299 1.792 20 30 BDEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000886355083 712654867 /nfs/dbraw/zinc/65/48/67/712654867.db2.gz BZYLGBNTRNORLY-JTQLQIEISA-N 1 2 231.299 1.792 20 30 BDEDLO Cc1cc[nH+]c(N2CCN(CCC#N)CC2)c1 ZINC000164037471 722020877 /nfs/dbraw/zinc/02/08/77/722020877.db2.gz DFXBUMCPRQYVAF-UHFFFAOYSA-N 1 2 230.315 1.426 20 30 BDEDLO CC(C)(C#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692547737 960289532 /nfs/dbraw/zinc/28/95/32/960289532.db2.gz ALFDEWILRDBXRP-UHFFFAOYSA-N 1 2 234.303 1.284 20 30 BDEDLO N#Cc1cccc(C[NH+]2CC(CO)C2)c1Cl ZINC001140810515 960616137 /nfs/dbraw/zinc/61/61/37/960616137.db2.gz GLKNYJBMSARSOP-UHFFFAOYSA-N 1 2 236.702 1.636 20 30 BDEDLO C#CCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC001163361818 965362048 /nfs/dbraw/zinc/36/20/48/965362048.db2.gz BFCWHRLABYBMMU-UHFFFAOYSA-N 1 2 217.272 1.716 20 30 BDEDLO CCOC(=O)C[N@H+](CC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673465 969779788 /nfs/dbraw/zinc/77/97/88/969779788.db2.gz LFYQQVGQSQDGKD-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)C[N@@H+](CC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673465 969779804 /nfs/dbraw/zinc/77/98/04/969779804.db2.gz LFYQQVGQSQDGKD-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc2c([nH+]1)CCOC2 ZINC001169779734 969852665 /nfs/dbraw/zinc/85/26/65/969852665.db2.gz WLLBTVXTKZJJRU-JTQLQIEISA-N 1 2 220.272 1.113 20 30 BDEDLO C#CC[C@H]([NH2+]CCCC(F)(F)F)C(=O)OC ZINC001333834185 976111781 /nfs/dbraw/zinc/11/17/81/976111781.db2.gz SGABWYGQNQLFPA-QMMMGPOBSA-N 1 2 237.221 1.483 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCCSCC1)C(=O)OC ZINC001333907664 976148635 /nfs/dbraw/zinc/14/86/35/976148635.db2.gz IBCZZDSQHOFGAC-QWRGUYRKSA-N 1 2 241.356 1.427 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)cnn1COC ZINC001334217508 976388138 /nfs/dbraw/zinc/38/81/38/976388138.db2.gz MSJDECXSSLVDFF-NSHDSACASA-N 1 2 236.319 1.577 20 30 BDEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001335088480 976848325 /nfs/dbraw/zinc/84/83/25/976848325.db2.gz FFRKNUYRCMTUOP-BQBZGAKWSA-N 1 2 242.229 1.789 20 30 BDEDLO C=C(C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174788098 977024723 /nfs/dbraw/zinc/02/47/23/977024723.db2.gz SEDPHCUPTYKVDV-UHFFFAOYSA-N 1 2 236.319 1.161 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)CC1(OC)CCC1 ZINC001336711183 977875759 /nfs/dbraw/zinc/87/57/59/977875759.db2.gz HMEHQFHVASEYMY-UHFFFAOYSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)CC1(OC)CCC1 ZINC001336711183 977875763 /nfs/dbraw/zinc/87/57/63/977875763.db2.gz HMEHQFHVASEYMY-UHFFFAOYSA-N 1 2 241.331 1.607 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ncsc2C)CC1 ZINC001232206178 977929718 /nfs/dbraw/zinc/92/97/18/977929718.db2.gz FEOWVLOCKQXJDW-UHFFFAOYSA-N 1 2 235.356 1.202 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194161 978791658 /nfs/dbraw/zinc/79/16/58/978791658.db2.gz AYSZRUIDQGGDQW-ZDUSSCGKSA-N 1 2 246.354 1.202 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(C#N)c(OC)c2)C1 ZINC001234499827 978850988 /nfs/dbraw/zinc/85/09/88/978850988.db2.gz RQNYJAYNVIUKOJ-UHFFFAOYSA-N 1 2 232.283 1.650 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)N(C)CCC#N)c[nH+]1 ZINC001353872553 983040355 /nfs/dbraw/zinc/04/03/55/983040355.db2.gz PDSRRNJKAMKSTP-UHFFFAOYSA-N 1 2 234.303 1.299 20 30 BDEDLO C=C[C@](C)(O)CNc1cc[nH+]c(OC)c1 ZINC001252542272 983807827 /nfs/dbraw/zinc/80/78/27/983807827.db2.gz BWMSGYWMBKVDIZ-NSHDSACASA-N 1 2 208.261 1.439 20 30 BDEDLO C[C@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866268665 983856433 /nfs/dbraw/zinc/85/64/33/983856433.db2.gz BITAXABYGNGNBU-ZJUUUORDSA-N 1 2 234.299 1.685 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CCOC(C)C ZINC001172438332 974792731 /nfs/dbraw/zinc/79/27/31/974792731.db2.gz POFROTSWKHWWFP-ZJUUUORDSA-N 1 2 249.376 1.251 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)CCCCC#N ZINC001327618775 972673544 /nfs/dbraw/zinc/67/35/44/972673544.db2.gz GPPJGAGUNMDECA-UHFFFAOYSA-N 1 2 220.276 1.418 20 30 BDEDLO C[NH+]1CC(OCCOc2ccc(C#N)cc2)C1 ZINC001224287633 973515646 /nfs/dbraw/zinc/51/56/46/973515646.db2.gz CLMUVNVXTJNITA-UHFFFAOYSA-N 1 2 232.283 1.268 20 30 BDEDLO C#Cc1cc(Nc2ccc(O)c(CO)c2)cc[nH+]1 ZINC001216135962 970950248 /nfs/dbraw/zinc/95/02/48/970950248.db2.gz ILWHFXZZXJESKY-UHFFFAOYSA-N 1 2 240.262 1.426 20 30 BDEDLO N#CC1CCC([N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC001256965277 971045703 /nfs/dbraw/zinc/04/57/03/971045703.db2.gz PCADDHMPJBBLJE-ILDUYXDCSA-N 1 2 244.285 1.771 20 30 BDEDLO N#CC1CCC([N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC001256965277 971045718 /nfs/dbraw/zinc/04/57/18/971045718.db2.gz PCADDHMPJBBLJE-ILDUYXDCSA-N 1 2 244.285 1.771 20 30 BDEDLO Cc1ccc(C[NH2+]CC(C)(C)C#N)nn1 ZINC000405146420 971202320 /nfs/dbraw/zinc/20/23/20/971202320.db2.gz ZVIOZMVXTIDPAZ-UHFFFAOYSA-N 1 2 204.277 1.424 20 30 BDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CC)C(=O)OCC ZINC001257434417 971342096 /nfs/dbraw/zinc/34/20/96/971342096.db2.gz ZOHUBVWTSQKUAH-FOGDFJRCSA-N 1 2 211.305 1.882 20 30 BDEDLO C=CCCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001133154601 971460518 /nfs/dbraw/zinc/46/05/18/971460518.db2.gz MCUHEHMPAWQKMN-UHFFFAOYSA-N 1 2 248.330 1.039 20 30 BDEDLO C=C[C@H]1C[C@]1(Nc1c[nH+]cn1C)C(=O)OCC ZINC001170918458 972089493 /nfs/dbraw/zinc/08/94/93/972089493.db2.gz OTJBWZAQBVJGEE-JOYOIKCWSA-N 1 2 235.287 1.340 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001266333341 957264384 /nfs/dbraw/zinc/26/43/84/957264384.db2.gz LMJJQAZACCEGCK-NSHDSACASA-N 1 2 242.338 1.749 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001266333341 957264398 /nfs/dbraw/zinc/26/43/98/957264398.db2.gz LMJJQAZACCEGCK-NSHDSACASA-N 1 2 242.338 1.749 20 30 BDEDLO CCn1nnc(C)c1C[NH+]1CCC(C#N)CC1 ZINC001167252062 957590334 /nfs/dbraw/zinc/59/03/34/957590334.db2.gz RIHZPUKUYPEXSK-UHFFFAOYSA-N 1 2 233.319 1.342 20 30 BDEDLO Cn1cc(C[N@@H+]2CCCCC23COC3)cc1C#N ZINC001207106649 958022053 /nfs/dbraw/zinc/02/20/53/958022053.db2.gz OUGYHCNRMHDLTC-UHFFFAOYSA-N 1 2 245.326 1.652 20 30 BDEDLO Cn1cc(C[N@H+]2CCCCC23COC3)cc1C#N ZINC001207106649 958022069 /nfs/dbraw/zinc/02/20/69/958022069.db2.gz OUGYHCNRMHDLTC-UHFFFAOYSA-N 1 2 245.326 1.652 20 30 BDEDLO C=CC[C@@H](NC(=O)C1(F)C[NH2+]C1)c1ccccc1 ZINC001221358696 972326798 /nfs/dbraw/zinc/32/67/98/972326798.db2.gz QNKTZNFGMCJXDY-GFCCVEGCSA-N 1 2 248.301 1.732 20 30 BDEDLO C#CCC1([NH2+][C@H](CC)C(=O)OCC)CCC1 ZINC000933298130 958344992 /nfs/dbraw/zinc/34/49/92/958344992.db2.gz CGGNGZKFFWMWFE-LLVKDONJSA-N 1 2 223.316 1.864 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932164152 959408549 /nfs/dbraw/zinc/40/85/49/959408549.db2.gz YJYNMWBIYOOSMB-NEPJUHHUSA-N 1 2 240.347 1.398 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932164152 959408561 /nfs/dbraw/zinc/40/85/61/959408561.db2.gz YJYNMWBIYOOSMB-NEPJUHHUSA-N 1 2 240.347 1.398 20 30 BDEDLO C=CC[NH2+]CCN(C)C(=O)C(F)C(F)(F)F ZINC001267375552 959584982 /nfs/dbraw/zinc/58/49/82/959584982.db2.gz MDGHGBKHUKSVPM-ZETCQYMHSA-N 1 2 242.216 1.121 20 30 BDEDLO C=CC[NH2+]CCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001267375552 959584994 /nfs/dbraw/zinc/58/49/94/959584994.db2.gz MDGHGBKHUKSVPM-ZETCQYMHSA-N 1 2 242.216 1.121 20 30 BDEDLO CC[C@@H]([NH2+]CCCO)c1cccc(C#N)c1O ZINC000924536303 959755751 /nfs/dbraw/zinc/75/57/51/959755751.db2.gz NNOSXRMSXYHFRY-GFCCVEGCSA-N 1 2 234.299 1.687 20 30 BDEDLO C#CCCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692620904 960339626 /nfs/dbraw/zinc/33/96/26/960339626.db2.gz DJNTZTYAHFQXGU-UHFFFAOYSA-N 1 2 247.342 1.928 20 30 BDEDLO C=CC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001144027483 972498382 /nfs/dbraw/zinc/49/83/82/972498382.db2.gz QDSJAHGXXZFCOS-NWDGAFQWSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001144027483 972498390 /nfs/dbraw/zinc/49/83/90/972498390.db2.gz QDSJAHGXXZFCOS-NWDGAFQWSA-N 1 2 240.347 1.036 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nccc(C)n1 ZINC000692679977 960428617 /nfs/dbraw/zinc/42/86/17/960428617.db2.gz MABUVZKLMXJYIE-LBPRGKRZSA-N 1 2 203.289 1.677 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001143512081 960714457 /nfs/dbraw/zinc/71/44/57/960714457.db2.gz DJMOXNYSUUWVKG-HBNTYKKESA-N 1 2 244.298 1.275 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C(F)F)CC2)C1 ZINC001268309661 961586118 /nfs/dbraw/zinc/58/61/18/961586118.db2.gz NGFMAJNCZBKBAK-UHFFFAOYSA-N 1 2 244.285 1.408 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689495 961621140 /nfs/dbraw/zinc/62/11/40/961621140.db2.gz GZLLBAPSRLJIER-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689495 961621149 /nfs/dbraw/zinc/62/11/49/961621149.db2.gz GZLLBAPSRLJIER-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001268453063 961822219 /nfs/dbraw/zinc/82/22/19/961822219.db2.gz FCZOYJGMZHTSPF-SECBINFHSA-N 1 2 246.301 1.654 20 30 BDEDLO N#Cc1ccc2c(C[NH+]3CC(O)C3)c[nH]c2c1 ZINC001142911611 961827580 /nfs/dbraw/zinc/82/75/80/961827580.db2.gz BJZQCJKZSIDPIC-UHFFFAOYSA-N 1 2 227.267 1.216 20 30 BDEDLO C#Cc1cc(Nc2ccn3cc[nH+]c3c2)ccn1 ZINC001204951287 962159913 /nfs/dbraw/zinc/15/99/13/962159913.db2.gz QKWRHJMGWRZGBF-UHFFFAOYSA-N 1 2 234.262 1.876 20 30 BDEDLO C#Cc1cc(Nc2ccn3ccnc3c2)cc[nH+]1 ZINC001204951287 962159926 /nfs/dbraw/zinc/15/99/26/962159926.db2.gz QKWRHJMGWRZGBF-UHFFFAOYSA-N 1 2 234.262 1.876 20 30 BDEDLO Cc1c[nH+]c(NC2(C#N)CCC2)cc1N ZINC001154919750 962902765 /nfs/dbraw/zinc/90/27/65/962902765.db2.gz NIWAJSIXYPLMSH-UHFFFAOYSA-N 1 2 202.261 1.830 20 30 BDEDLO Cc1ccnc(NCc2cc[nH+]c(N)c2)c1C#N ZINC001156756466 963454675 /nfs/dbraw/zinc/45/46/75/963454675.db2.gz YVPZWQVYPRIVPO-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C[C@@H]1C[C@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001168085203 963649208 /nfs/dbraw/zinc/64/92/08/963649208.db2.gz XWQBOAWPZIELPG-GHMZBOCLSA-N 1 2 208.305 1.980 20 30 BDEDLO C=C(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001142512141 964348585 /nfs/dbraw/zinc/34/85/85/964348585.db2.gz LXDAWWRXWODQOC-UHFFFAOYSA-N 1 2 219.288 1.623 20 30 BDEDLO C=CCN(C(=O)C1(F)C[NH2+]C1)C1CCCCC1 ZINC001161247799 964563108 /nfs/dbraw/zinc/56/31/08/964563108.db2.gz KRCXASUXTIVCRA-UHFFFAOYSA-N 1 2 240.322 1.645 20 30 BDEDLO CC(C)n1c[nH+]cc1CNc1nccnc1C#N ZINC001161562915 964639900 /nfs/dbraw/zinc/63/99/00/964639900.db2.gz HHFNNTOOVQYNIZ-UHFFFAOYSA-N 1 2 242.286 1.738 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1NCC(N)=O ZINC001161837474 964782335 /nfs/dbraw/zinc/78/23/35/964782335.db2.gz NKAFMIPFBAMPPG-UHFFFAOYSA-N 1 2 205.261 1.016 20 30 BDEDLO Cc1nccnc1CNc1cc(CC#N)cc[nH+]1 ZINC001162002621 964845168 /nfs/dbraw/zinc/84/51/68/964845168.db2.gz VBJNTECQTQHAET-UHFFFAOYSA-N 1 2 239.282 1.858 20 30 BDEDLO Cc1ccc(NCC#N)c(C[NH+]2CCOCC2)c1 ZINC001163187521 965290538 /nfs/dbraw/zinc/29/05/38/965290538.db2.gz KMNHCMODRJTGIY-UHFFFAOYSA-N 1 2 245.326 1.763 20 30 BDEDLO C#CCNc1[nH+]cccc1CCC(=O)OCC ZINC001163362205 965360896 /nfs/dbraw/zinc/36/08/96/965360896.db2.gz MWCPFOLBHCWXBK-UHFFFAOYSA-N 1 2 232.283 1.622 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001483692418 965509293 /nfs/dbraw/zinc/50/92/93/965509293.db2.gz ZGIVEYJJAQKDSL-CYBMUJFWSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001483692418 965509306 /nfs/dbraw/zinc/50/93/06/965509306.db2.gz ZGIVEYJJAQKDSL-CYBMUJFWSA-N 1 2 246.354 1.246 20 30 BDEDLO C=CCCCC(=O)N(C)C1C[NH+](CC=C)C1 ZINC001483877880 966398535 /nfs/dbraw/zinc/39/85/35/966398535.db2.gz VFRWACVMCNWXIX-UHFFFAOYSA-N 1 2 222.332 1.671 20 30 BDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccco2)CC1 ZINC001203284552 966595269 /nfs/dbraw/zinc/59/52/69/966595269.db2.gz IORUXFQERBCWPB-UHFFFAOYSA-N 1 2 248.282 1.558 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CC1 ZINC001032608149 967012230 /nfs/dbraw/zinc/01/22/30/967012230.db2.gz DCZJTRWQZNHZLE-RYUDHWBXSA-N 1 2 232.327 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CC1 ZINC001032608149 967012247 /nfs/dbraw/zinc/01/22/47/967012247.db2.gz DCZJTRWQZNHZLE-RYUDHWBXSA-N 1 2 232.327 1.095 20 30 BDEDLO C#Cc1cc(Nc2cnc(N)c(F)c2)cc[nH+]1 ZINC001249756292 967044792 /nfs/dbraw/zinc/04/47/92/967044792.db2.gz ZHWUISMGXATGHS-UHFFFAOYSA-N 1 2 228.230 1.345 20 30 BDEDLO N#Cc1ccnnc1Nc1ccn2cc[nH+]c2c1 ZINC001204966771 967268166 /nfs/dbraw/zinc/26/81/66/967268166.db2.gz WHFYAJXDNZQTSL-UHFFFAOYSA-N 1 2 236.238 1.740 20 30 BDEDLO N#CCCc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001250057447 967319595 /nfs/dbraw/zinc/31/95/95/967319595.db2.gz NPZQSRKJDQUMSB-UHFFFAOYSA-N 1 2 216.284 1.319 20 30 BDEDLO C=CCC(C)(C)c1nnc(C[NH+](C)C)o1 ZINC001118433073 968149826 /nfs/dbraw/zinc/14/98/26/968149826.db2.gz OXFUMLBECRWOPB-UHFFFAOYSA-N 1 2 209.293 1.985 20 30 BDEDLO C#CCCc1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC001250605057 968151130 /nfs/dbraw/zinc/15/11/30/968151130.db2.gz IGNHCYFYTQGIEG-UHFFFAOYSA-N 1 2 214.224 1.857 20 30 BDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC)[C@@H](C)CC ZINC001251803422 968340465 /nfs/dbraw/zinc/34/04/65/968340465.db2.gz XHAFFUJXPOOEIC-TUAOUCFPSA-N 1 2 243.347 1.491 20 30 BDEDLO C#C[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001206837888 968492823 /nfs/dbraw/zinc/49/28/23/968492823.db2.gz IWNCLRJABSHFMI-ZETCQYMHSA-N 1 2 243.665 1.268 20 30 BDEDLO CCOC(=O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001207416815 968761346 /nfs/dbraw/zinc/76/13/46/968761346.db2.gz PAGDPLRIZNBKDZ-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001207416815 968761352 /nfs/dbraw/zinc/76/13/52/968761352.db2.gz PAGDPLRIZNBKDZ-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001085484446 968762046 /nfs/dbraw/zinc/76/20/46/968762046.db2.gz DBEBBMLLPUINCG-ZDUSSCGKSA-N 1 2 246.310 1.449 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001085484446 968762051 /nfs/dbraw/zinc/76/20/51/968762051.db2.gz DBEBBMLLPUINCG-ZDUSSCGKSA-N 1 2 246.310 1.449 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085564123 968797419 /nfs/dbraw/zinc/79/74/19/968797419.db2.gz FDUHHLOYPDCPAP-ZDUSSCGKSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085564123 968797424 /nfs/dbraw/zinc/79/74/24/968797424.db2.gz FDUHHLOYPDCPAP-ZDUSSCGKSA-N 1 2 246.310 1.368 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@](C)(CC=C)C(=O)OC ZINC001252625648 968886120 /nfs/dbraw/zinc/88/61/20/968886120.db2.gz XJEAGCGSAUEAOS-DGCLKSJQSA-N 1 2 241.331 1.411 20 30 BDEDLO C=C[C@@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001253565101 969235787 /nfs/dbraw/zinc/23/57/87/969235787.db2.gz JGAVRBFKRWITSL-SNVBAGLBSA-N 1 2 217.272 1.602 20 30 BDEDLO C=C[C@H](O)CNc1cc(Cl)c2[nH+]ccn2c1 ZINC001253571796 969242972 /nfs/dbraw/zinc/24/29/72/969242972.db2.gz IEPKXJFWESTTPD-VIFPVBQESA-N 1 2 237.690 1.947 20 30 BDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc(C(C)C)n1 ZINC001156327962 969704277 /nfs/dbraw/zinc/70/42/77/969704277.db2.gz VGZPAOAOXHTRGS-NSHDSACASA-N 1 2 245.330 1.210 20 30 BDEDLO Cc1nnc(C[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC001254647956 969762493 /nfs/dbraw/zinc/76/24/93/969762493.db2.gz JAUXKBGTVJBSPK-IUCAKERBSA-N 1 2 206.249 1.160 20 30 BDEDLO C=C(C)c1ccc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC001169651867 969800478 /nfs/dbraw/zinc/80/04/78/969800478.db2.gz ANDUVAGVHQSACV-CYBMUJFWSA-N 1 2 247.342 1.857 20 30 BDEDLO C=C(C)c1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC001169651867 969800480 /nfs/dbraw/zinc/80/04/80/969800480.db2.gz ANDUVAGVHQSACV-CYBMUJFWSA-N 1 2 247.342 1.857 20 30 BDEDLO C#Cc1cc(Nc2cc(F)ccc2CO)cc[nH+]1 ZINC001210178699 969821266 /nfs/dbraw/zinc/82/12/66/969821266.db2.gz VJDATEFQKNIBSQ-UHFFFAOYSA-N 1 2 242.253 1.860 20 30 BDEDLO C=C[C@@H](CO)Nc1cc[nH+]c(OC(C)C)c1 ZINC001169780890 969854425 /nfs/dbraw/zinc/85/44/25/969854425.db2.gz IPAFHFLKPUNRPN-JTQLQIEISA-N 1 2 222.288 1.828 20 30 BDEDLO C=CC[C@@H](Nc1cc[nH+]c(CC)c1)C(=O)OC ZINC001169844831 969869632 /nfs/dbraw/zinc/86/96/32/969869632.db2.gz NNXJNLRURBQRMR-GFCCVEGCSA-N 1 2 234.299 1.596 20 30 BDEDLO CC1(C)OC[C@@H](CNc2[nH+]cccc2CC#N)O1 ZINC001169904023 969880018 /nfs/dbraw/zinc/88/00/18/969880018.db2.gz DUZFNAOHXRJSBG-LLVKDONJSA-N 1 2 247.298 1.711 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1ccncc1 ZINC001255156813 969967267 /nfs/dbraw/zinc/96/72/67/969967267.db2.gz OFZDLXFHZIRFAJ-VXGBXAGGSA-N 1 2 219.288 1.397 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001255165012 969977752 /nfs/dbraw/zinc/97/77/52/969977752.db2.gz RPYNMYQNSJWLSK-ZJUUUORDSA-N 1 2 227.308 1.188 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001255166331 969979736 /nfs/dbraw/zinc/97/97/36/969979736.db2.gz IVFNOHJXFFXZDG-NSHDSACASA-N 1 2 239.319 1.453 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCCN(C(=O)OC)CC1 ZINC001255166331 969979741 /nfs/dbraw/zinc/97/97/41/969979741.db2.gz IVFNOHJXFFXZDG-NSHDSACASA-N 1 2 239.319 1.453 20 30 BDEDLO CC[C@@H](CC#N)[N@H+](C)CCc1noc(C)n1 ZINC001255167334 969980820 /nfs/dbraw/zinc/98/08/20/969980820.db2.gz YSJWFGFUEMUHKT-JTQLQIEISA-N 1 2 222.292 1.545 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+](C)CCc1noc(C)n1 ZINC001255167334 969980830 /nfs/dbraw/zinc/98/08/30/969980830.db2.gz YSJWFGFUEMUHKT-JTQLQIEISA-N 1 2 222.292 1.545 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001255176844 969993070 /nfs/dbraw/zinc/99/30/70/969993070.db2.gz GUHWOWOXASGRQN-RYUDHWBXSA-N 1 2 246.314 1.622 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001255176844 969993075 /nfs/dbraw/zinc/99/30/75/969993075.db2.gz GUHWOWOXASGRQN-RYUDHWBXSA-N 1 2 246.314 1.622 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)COC(C)(C)C)CC1 ZINC001112776173 970179851 /nfs/dbraw/zinc/17/98/51/970179851.db2.gz ODKQTYOQNAJNLU-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO C[C@H](Cc1ccc(F)cc1)N1CC[NH2+]C[C@H]1C#N ZINC001255869254 970532476 /nfs/dbraw/zinc/53/24/76/970532476.db2.gz ZYAHTRQQUXUOSY-BXUZGUMPSA-N 1 2 247.317 1.554 20 30 BDEDLO C[C@H](Cc1ccc(F)cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001255869256 970534284 /nfs/dbraw/zinc/53/42/84/970534284.db2.gz ZYAHTRQQUXUOSY-RISCZKNCSA-N 1 2 247.317 1.554 20 30 BDEDLO CC[C@@H]1C[C@@H]([NH2+][C@@H](CS)C(=O)OC)CCO1 ZINC001170170176 970544284 /nfs/dbraw/zinc/54/42/84/970544284.db2.gz RYFUZWCSEDBTOQ-AEJSXWLSSA-N 1 2 247.360 1.005 20 30 BDEDLO CCOC(=O)[C@H](C#N)Nc1ccn2cc[nH+]c2c1 ZINC001170372976 970735394 /nfs/dbraw/zinc/73/53/94/970735394.db2.gz CVBUUUYPBWFOQI-JTQLQIEISA-N 1 2 244.254 1.201 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3ccccn3)CC[C@H]2S1 ZINC000198041238 972598036 /nfs/dbraw/zinc/59/80/36/972598036.db2.gz IBHPGBBVQMHQTP-GFCCVEGCSA-N 1 2 246.335 1.856 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3ccccn3)CC[C@H]2S1 ZINC000198041238 972598046 /nfs/dbraw/zinc/59/80/46/972598046.db2.gz IBHPGBBVQMHQTP-GFCCVEGCSA-N 1 2 246.335 1.856 20 30 BDEDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144163616 972619056 /nfs/dbraw/zinc/61/90/56/972619056.db2.gz NAAOUNHARAOGTF-AWEZNQCLSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC001144163616 972619083 /nfs/dbraw/zinc/61/90/83/972619083.db2.gz NAAOUNHARAOGTF-AWEZNQCLSA-N 1 2 245.326 1.810 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144153981 972635866 /nfs/dbraw/zinc/63/58/66/972635866.db2.gz SYPICMZVPUQIHH-KOLCDFICSA-N 1 2 219.263 1.886 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C#N)cn1 ZINC001144153981 972635871 /nfs/dbraw/zinc/63/58/71/972635871.db2.gz SYPICMZVPUQIHH-KOLCDFICSA-N 1 2 219.263 1.886 20 30 BDEDLO C=C(C(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC001144203135 972691388 /nfs/dbraw/zinc/69/13/88/972691388.db2.gz VHNZCDOBBLUWNN-UHFFFAOYSA-N 1 2 233.193 1.118 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(C)no1 ZINC001328612996 973196826 /nfs/dbraw/zinc/19/68/26/973196826.db2.gz QYSPRPQTKBYNOV-VIFPVBQESA-N 1 2 219.288 1.784 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(C)no1 ZINC001328612996 973196861 /nfs/dbraw/zinc/19/68/61/973196861.db2.gz QYSPRPQTKBYNOV-VIFPVBQESA-N 1 2 219.288 1.784 20 30 BDEDLO N#CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001329364146 973699450 /nfs/dbraw/zinc/69/94/50/973699450.db2.gz LATXXMJFCMDFBC-SNVBAGLBSA-N 1 2 232.287 1.104 20 30 BDEDLO Cc1nnc(C[N@H+](C)CCCSCC#N)o1 ZINC001329911733 974021505 /nfs/dbraw/zinc/02/15/05/974021505.db2.gz NIYMBSMCWVKWTK-UHFFFAOYSA-N 1 2 240.332 1.457 20 30 BDEDLO Cc1nnc(C[N@@H+](C)CCCSCC#N)o1 ZINC001329911733 974021518 /nfs/dbraw/zinc/02/15/18/974021518.db2.gz NIYMBSMCWVKWTK-UHFFFAOYSA-N 1 2 240.332 1.457 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171794171 974188661 /nfs/dbraw/zinc/18/86/61/974188661.db2.gz OJQYLCMXESUGDB-VXGBXAGGSA-N 1 2 245.301 1.090 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccnc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225289385 974359679 /nfs/dbraw/zinc/35/96/79/974359679.db2.gz XGEORLLBQQDEGV-HALBRFILSA-N 1 2 232.283 1.073 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccnc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225289385 974359683 /nfs/dbraw/zinc/35/96/83/974359683.db2.gz XGEORLLBQQDEGV-HALBRFILSA-N 1 2 232.283 1.073 20 30 BDEDLO N#CCCN1CC(Oc2cc[nH+]cc2)C1 ZINC001225295822 974371304 /nfs/dbraw/zinc/37/13/04/974371304.db2.gz NMELFBZTYSQBQJ-UHFFFAOYSA-N 1 2 203.245 1.058 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172165466 974427219 /nfs/dbraw/zinc/42/72/19/974427219.db2.gz JGTVYWQSAWWRCI-WOPDTQHZSA-N 1 2 233.315 1.128 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172165466 974427226 /nfs/dbraw/zinc/42/72/26/974427226.db2.gz JGTVYWQSAWWRCI-WOPDTQHZSA-N 1 2 233.315 1.128 20 30 BDEDLO CC1(C#N)C[NH+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172240610 974503673 /nfs/dbraw/zinc/50/36/73/974503673.db2.gz PRQROEYCNQIZDR-FGWVZKOKSA-N 1 2 204.273 1.318 20 30 BDEDLO COC(=O)C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172294316 974561918 /nfs/dbraw/zinc/56/19/18/974561918.db2.gz HYOHMJMICNCKBD-JTQLQIEISA-N 1 2 232.283 1.252 20 30 BDEDLO CC[C@H](CC(C)C)N1CC[NH2+]C[C@H]1C#N ZINC001172396774 974755781 /nfs/dbraw/zinc/75/57/81/974755781.db2.gz NTZLRQWGIYHAJG-VXGBXAGGSA-N 1 2 209.337 1.608 20 30 BDEDLO Cc1n[nH]c(C[NH2+]CC2(C#N)CC2)c1C ZINC001331549543 974757586 /nfs/dbraw/zinc/75/75/86/974757586.db2.gz PMEHRYPQZZNQTN-UHFFFAOYSA-N 1 2 204.277 1.420 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CCCC#N ZINC001172481742 974781643 /nfs/dbraw/zinc/78/16/43/974781643.db2.gz XIDXAKFQHYXGFN-ZJUUUORDSA-N 1 2 244.360 1.520 20 30 BDEDLO Cc1cc(C#N)cc(C)c1OC1C[NH+](C)C1 ZINC001226521293 974942728 /nfs/dbraw/zinc/94/27/28/974942728.db2.gz DCBSUYCUBMDFAX-UHFFFAOYSA-N 1 2 216.284 1.868 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1ncccn1 ZINC001332683065 975249782 /nfs/dbraw/zinc/24/97/82/975249782.db2.gz DGBRIDNPQIYNIS-LLVKDONJSA-N 1 2 215.300 1.883 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1ncccn1 ZINC001332683065 975249788 /nfs/dbraw/zinc/24/97/88/975249788.db2.gz DGBRIDNPQIYNIS-LLVKDONJSA-N 1 2 215.300 1.883 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001332698669 975254056 /nfs/dbraw/zinc/25/40/56/975254056.db2.gz PKEMOAZFIIPPHH-NSHDSACASA-N 1 2 219.288 1.119 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1ncccn1 ZINC001332698669 975254064 /nfs/dbraw/zinc/25/40/64/975254064.db2.gz PKEMOAZFIIPPHH-NSHDSACASA-N 1 2 219.288 1.119 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC001332985248 975357860 /nfs/dbraw/zinc/35/78/60/975357860.db2.gz XGXSUCRCIRFAKI-UHFFFAOYSA-N 1 2 231.221 1.504 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC001332985248 975357871 /nfs/dbraw/zinc/35/78/71/975357871.db2.gz XGXSUCRCIRFAKI-UHFFFAOYSA-N 1 2 231.221 1.504 20 30 BDEDLO C=C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001334240090 976401821 /nfs/dbraw/zinc/40/18/21/976401821.db2.gz XHLVNZONTQNCMZ-UHFFFAOYSA-N 1 2 205.261 1.086 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC001335267975 976910426 /nfs/dbraw/zinc/91/04/26/976910426.db2.gz UGLRQLSVEZMURB-GHMZBOCLSA-N 1 2 238.335 1.711 20 30 BDEDLO C=C(C)Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001174786308 977011681 /nfs/dbraw/zinc/01/16/81/977011681.db2.gz BJCVBEVWHVGHFS-UHFFFAOYSA-N 1 2 233.315 1.988 20 30 BDEDLO N#C[C@@H]1CC[C@@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC001335401800 977031058 /nfs/dbraw/zinc/03/10/58/977031058.db2.gz PBPQQTGTULSUQB-ZYHUDNBSSA-N 1 2 242.286 1.388 20 30 BDEDLO C#Cc1cc(Nc2cncc(C)c2)cc[nH+]1 ZINC001174755512 977056191 /nfs/dbraw/zinc/05/61/91/977056191.db2.gz KKYCLVWPBLPEQT-UHFFFAOYSA-N 1 2 209.252 1.932 20 30 BDEDLO C#Cc1cc(Nc2cc(C)nn2C)cc[nH+]1 ZINC001174822737 977079039 /nfs/dbraw/zinc/07/90/39/977079039.db2.gz ZSXLNLDCTGUTRW-UHFFFAOYSA-N 1 2 212.256 1.270 20 30 BDEDLO COc1cncc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC001335502292 977105842 /nfs/dbraw/zinc/10/58/42/977105842.db2.gz YSPPWNBWWABWFX-LLVKDONJSA-N 1 2 244.298 1.623 20 30 BDEDLO CC1(C)C[NH+](Cc2cncc(C#N)c2)C1 ZINC000721608065 977562875 /nfs/dbraw/zinc/56/28/75/977562875.db2.gz XNFBBCDCVVWFQB-UHFFFAOYSA-N 1 2 201.273 1.795 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC(C)C)C1 ZINC001277549142 977682761 /nfs/dbraw/zinc/68/27/61/977682761.db2.gz RNNXVAMOJXATRR-UHFFFAOYSA-N 1 2 224.348 1.751 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231669512 977687064 /nfs/dbraw/zinc/68/70/64/977687064.db2.gz YMXPGQLZCGXOBM-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231669512 977687080 /nfs/dbraw/zinc/68/70/80/977687080.db2.gz YMXPGQLZCGXOBM-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO COc1cc[nH+]c(CN2CCC(=O)[C@H](C#N)C2)c1 ZINC001231968892 977814755 /nfs/dbraw/zinc/81/47/55/977814755.db2.gz HWENODBYWRRFFL-SNVBAGLBSA-N 1 2 245.282 1.005 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C[C@@H](CCC)OC)C(=O)OC ZINC001336758211 977925209 /nfs/dbraw/zinc/92/52/09/977925209.db2.gz PTFHOXNWRZQLSP-VXGBXAGGSA-N 1 2 243.347 1.899 20 30 BDEDLO COc1cc[nH+]cc1Nc1ncn(C)c1C#N ZINC001176119125 977953070 /nfs/dbraw/zinc/95/30/70/977953070.db2.gz PFAZQXZRFXBHEK-UHFFFAOYSA-N 1 2 229.243 1.439 20 30 BDEDLO COCc1cccc(C[NH+]2CC(CC#N)C2)n1 ZINC001232250603 977976801 /nfs/dbraw/zinc/97/68/01/977976801.db2.gz AWPRIMWIKNTZND-UHFFFAOYSA-N 1 2 231.299 1.573 20 30 BDEDLO CC(C)C[C@@](C)(C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001176835817 978202974 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/nfs/dbraw/zinc/25/16/36/978251636.db2.gz SYIOZGPYODZKHX-SNVBAGLBSA-N 1 2 219.288 1.280 20 30 BDEDLO C=C(C)CCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001337329519 978289832 /nfs/dbraw/zinc/28/98/32/978289832.db2.gz RTVWNJKXXUWXTE-LBPRGKRZSA-N 1 2 248.330 1.239 20 30 BDEDLO N#CCCCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001597584263 978344988 /nfs/dbraw/zinc/34/49/88/978344988.db2.gz AVGYJTWBXDMIRT-UHFFFAOYSA-N 1 2 246.314 1.599 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(C#N)c1 ZINC001232964038 978363278 /nfs/dbraw/zinc/36/32/78/978363278.db2.gz OORLOIDLIQAUQN-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)c(C#N)c1 ZINC001232964038 978363285 /nfs/dbraw/zinc/36/32/85/978363285.db2.gz OORLOIDLIQAUQN-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO C=CCC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001337551244 978399077 /nfs/dbraw/zinc/39/90/77/978399077.db2.gz PBGFLJJOGHWXJJ-LBPRGKRZSA-N 1 2 233.315 1.909 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001233044110 978424618 /nfs/dbraw/zinc/42/46/18/978424618.db2.gz PQMLROMMXPVCPB-VXGBXAGGSA-N 1 2 217.272 1.250 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001233044110 978424625 /nfs/dbraw/zinc/42/46/25/978424625.db2.gz PQMLROMMXPVCPB-VXGBXAGGSA-N 1 2 217.272 1.250 20 30 BDEDLO COC(=O)[C@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046232 978429243 /nfs/dbraw/zinc/42/92/43/978429243.db2.gz QSRRGAWYFDXKFS-NSHDSACASA-N 1 2 247.298 1.271 20 30 BDEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046232 978429265 /nfs/dbraw/zinc/42/92/65/978429265.db2.gz QSRRGAWYFDXKFS-NSHDSACASA-N 1 2 247.298 1.271 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046231 978430454 /nfs/dbraw/zinc/43/04/54/978430454.db2.gz QSRRGAWYFDXKFS-LLVKDONJSA-N 1 2 247.298 1.271 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046231 978430462 /nfs/dbraw/zinc/43/04/62/978430462.db2.gz QSRRGAWYFDXKFS-LLVKDONJSA-N 1 2 247.298 1.271 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001233048032 978436816 /nfs/dbraw/zinc/43/68/16/978436816.db2.gz SLOAKGMDHPVEMB-CYBMUJFWSA-N 1 2 231.299 1.641 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001233048032 978436819 /nfs/dbraw/zinc/43/68/19/978436819.db2.gz SLOAKGMDHPVEMB-CYBMUJFWSA-N 1 2 231.299 1.641 20 30 BDEDLO CCCN(CCC#N)Cc1cccc(N)[nH+]1 ZINC001233371466 978585789 /nfs/dbraw/zinc/58/57/89/978585789.db2.gz RSRJMKBMZPBZNJ-UHFFFAOYSA-N 1 2 218.304 1.789 20 30 BDEDLO Cc1[nH]c(CNc2cc(C#N)ncn2)[nH+]c1C ZINC001338084778 978605930 /nfs/dbraw/zinc/60/59/30/978605930.db2.gz SIYKCYNVHRZTNM-UHFFFAOYSA-N 1 2 228.259 1.300 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194161 978791656 /nfs/dbraw/zinc/79/16/56/978791656.db2.gz AYSZRUIDQGGDQW-ZDUSSCGKSA-N 1 2 246.354 1.202 20 30 BDEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001339203014 978815996 /nfs/dbraw/zinc/81/59/96/978815996.db2.gz MITHDZOLOHMYGR-LLVKDONJSA-N 1 2 249.362 1.594 20 30 BDEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001339203014 978815997 /nfs/dbraw/zinc/81/59/97/978815997.db2.gz MITHDZOLOHMYGR-LLVKDONJSA-N 1 2 249.362 1.594 20 30 BDEDLO CC[NH+]1CC(Oc2nc3cc(C#N)ccc3o2)C1 ZINC001234455322 978842064 /nfs/dbraw/zinc/84/20/64/978842064.db2.gz CFTJGAZQUYOGRL-UHFFFAOYSA-N 1 2 243.266 1.782 20 30 BDEDLO Cc1coc(NC(=O)[C@@H](C)[NH+]2CCCC2)c1C#N ZINC001180575735 978897644 /nfs/dbraw/zinc/89/76/44/978897644.db2.gz MPGHIPVNLOUXGA-SNVBAGLBSA-N 1 2 247.298 1.883 20 30 BDEDLO Cn1cnnc1C[NH2+]Cc1csc(C#N)c1 ZINC001339869226 978929752 /nfs/dbraw/zinc/92/97/52/978929752.db2.gz FBYAQJTXVWWORK-UHFFFAOYSA-N 1 2 233.300 1.038 20 30 BDEDLO C=CCC[C@H](CCC)[NH2+][C@@H](COC)C(=O)OC ZINC001180954498 978969421 /nfs/dbraw/zinc/96/94/21/978969421.db2.gz XMYYJVRNMGUYET-RYUDHWBXSA-N 1 2 243.347 1.899 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181278901 979032092 /nfs/dbraw/zinc/03/20/92/979032092.db2.gz CHVNJUGNKHDRPI-LLVKDONJSA-N 1 2 246.314 1.261 20 30 BDEDLO O=C1C=C2C[N@H+](CCCCCO)CC[C@@H]2S1 ZINC001235464256 979047952 /nfs/dbraw/zinc/04/79/52/979047952.db2.gz BGBNFGOBTLPCAW-NSHDSACASA-N 1 2 241.356 1.423 20 30 BDEDLO O=C1C=C2C[N@@H+](CCCCCO)CC[C@@H]2S1 ZINC001235464256 979047956 /nfs/dbraw/zinc/04/79/56/979047956.db2.gz BGBNFGOBTLPCAW-NSHDSACASA-N 1 2 241.356 1.423 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccccc2CC#N)CC(=O)N1 ZINC001235511042 979061804 /nfs/dbraw/zinc/06/18/04/979061804.db2.gz FQQDWLXJQKRMJS-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccccc2CC#N)CC(=O)N1 ZINC001235511042 979061820 /nfs/dbraw/zinc/06/18/20/979061820.db2.gz FQQDWLXJQKRMJS-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO CC[N@H+](CC(=O)OC)Cc1ccccc1CC#N ZINC001235528545 979073113 /nfs/dbraw/zinc/07/31/13/979073113.db2.gz RCZRNCHYFIGYSX-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO CC[N@@H+](CC(=O)OC)Cc1ccccc1CC#N ZINC001235528545 979073124 /nfs/dbraw/zinc/07/31/24/979073124.db2.gz RCZRNCHYFIGYSX-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO N#Cc1ccc2nc(C[NH+]3CCC3)cn2c1 ZINC001237604965 979966148 /nfs/dbraw/zinc/96/61/48/979966148.db2.gz TZKYGQAQYKHPKG-UHFFFAOYSA-N 1 2 212.256 1.412 20 30 BDEDLO CN(C)c1ncccc1C[NH2+]CC1(C#N)CC1 ZINC001343285417 980057788 /nfs/dbraw/zinc/05/77/88/980057788.db2.gz OZTLDSFHJUSOQF-UHFFFAOYSA-N 1 2 230.315 1.541 20 30 BDEDLO C#CCN1CC[NH+](Cc2cnc(CC)s2)CC1 ZINC001237828294 980073751 /nfs/dbraw/zinc/07/37/51/980073751.db2.gz KUJQSVPBLKPLET-UHFFFAOYSA-N 1 2 249.383 1.456 20 30 BDEDLO N#CCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001344382016 980382626 /nfs/dbraw/zinc/38/26/26/980382626.db2.gz SHGXWHQUVYHNON-UHFFFAOYSA-N 1 2 220.276 1.152 20 30 BDEDLO N#CCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001344382016 980382633 /nfs/dbraw/zinc/38/26/33/980382633.db2.gz SHGXWHQUVYHNON-UHFFFAOYSA-N 1 2 220.276 1.152 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC001188156745 980621736 /nfs/dbraw/zinc/62/17/36/980621736.db2.gz VLPSHMSBTQZCLV-UHFFFAOYSA-N 1 2 233.315 1.267 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)CCc1[nH+]ccn1C ZINC001346580875 980864422 /nfs/dbraw/zinc/86/44/22/980864422.db2.gz VVSVULYAJPMCPA-JTQLQIEISA-N 1 2 234.303 1.017 20 30 BDEDLO C=C(CC(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001347021321 980951156 /nfs/dbraw/zinc/95/11/56/980951156.db2.gz MVMZADXLESIPSE-LLVKDONJSA-N 1 2 233.315 1.526 20 30 BDEDLO C=C(CC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001347043154 980956758 /nfs/dbraw/zinc/95/67/58/980956758.db2.gz OXYOJMZZHKUIBD-UHFFFAOYSA-N 1 2 221.304 1.698 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nnc(CC)[nH]1 ZINC001347103607 980969167 /nfs/dbraw/zinc/96/91/67/980969167.db2.gz CNYWBWLJWXTRHV-SNVBAGLBSA-N 1 2 232.331 1.773 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nnc(CC)[nH]1 ZINC001347103607 980969190 /nfs/dbraw/zinc/96/91/90/980969190.db2.gz CNYWBWLJWXTRHV-SNVBAGLBSA-N 1 2 232.331 1.773 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc(-n2cncn2)cc1 ZINC000157814582 981012235 /nfs/dbraw/zinc/01/22/35/981012235.db2.gz YKRSIBHFEVOSGE-UHFFFAOYSA-N 1 2 241.298 1.613 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc(-n2cncn2)cc1 ZINC000157814582 981012238 /nfs/dbraw/zinc/01/22/38/981012238.db2.gz YKRSIBHFEVOSGE-UHFFFAOYSA-N 1 2 241.298 1.613 20 30 BDEDLO N#Cc1cncc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213505 981161908 /nfs/dbraw/zinc/16/19/08/981161908.db2.gz BQFLAFWLZWYAOX-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#CCc1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219599 981170281 /nfs/dbraw/zinc/17/02/81/981170281.db2.gz PSCBRZFJHFWQDK-UHFFFAOYSA-N 1 2 235.250 1.857 20 30 BDEDLO C#CCSCC(=O)OCc1c[nH+]cn1CC ZINC001347974085 981230738 /nfs/dbraw/zinc/23/07/38/981230738.db2.gz ZDEZDXNEKYPPCF-UHFFFAOYSA-N 1 2 238.312 1.313 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348022607 981251170 /nfs/dbraw/zinc/25/11/70/981251170.db2.gz PNEHPBFNMTZTKJ-JTQLQIEISA-N 1 2 246.314 1.350 20 30 BDEDLO C=C[C@@H](C)ONC(=O)c1cccc2[nH+]ccn21 ZINC001583409124 981815542 /nfs/dbraw/zinc/81/55/42/981815542.db2.gz VYKQZFHQQKYSLR-SECBINFHSA-N 1 2 231.255 1.570 20 30 BDEDLO C[C@H](C(=O)N([C@@H](C)C#N)C1CC1)n1cc[nH+]c1 ZINC001351074961 982197017 /nfs/dbraw/zinc/19/70/17/982197017.db2.gz JGPVNISHAMLKOA-VHSXEESVSA-N 1 2 232.287 1.347 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001351114731 982210924 /nfs/dbraw/zinc/21/09/24/982210924.db2.gz ZTTJUADBRVYXAY-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001351114731 982210933 /nfs/dbraw/zinc/21/09/33/982210933.db2.gz ZTTJUADBRVYXAY-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001197304477 982547420 /nfs/dbraw/zinc/54/74/20/982547420.db2.gz NUGHQTUFYFDFSB-LLVKDONJSA-N 1 2 221.304 1.236 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1ncccn1 ZINC001197304477 982547428 /nfs/dbraw/zinc/54/74/28/982547428.db2.gz NUGHQTUFYFDFSB-LLVKDONJSA-N 1 2 221.304 1.236 20 30 BDEDLO COc1cnc(-c2c[nH+]c(N)cc2C)c(C#N)c1 ZINC001242070695 983305932 /nfs/dbraw/zinc/30/59/32/983305932.db2.gz JUZAPZXPRJDKON-UHFFFAOYSA-N 1 2 240.266 1.915 20 30 BDEDLO Nc1ccccc1C(NO)=[NH+]c1cncc(O)c1 ZINC001201642286 983399157 /nfs/dbraw/zinc/39/91/57/983399157.db2.gz QLFACIBGJAMFBB-UHFFFAOYSA-N 1 2 244.254 1.427 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](O)CCCC)C(=O)OC ZINC001252111613 983692652 /nfs/dbraw/zinc/69/26/52/983692652.db2.gz YMAZQZGSCIYNCE-WDEREUQCSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C[C@@](C)(O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001252545284 983810924 /nfs/dbraw/zinc/81/09/24/983810924.db2.gz GWNSRQJYEPOUOH-CYBMUJFWSA-N 1 2 235.331 1.887 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001252556472 983815594 /nfs/dbraw/zinc/81/55/94/983815594.db2.gz CEZYDQLAWJXCOD-BDAKNGLRSA-N 1 2 239.237 1.187 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001252556472 983815599 /nfs/dbraw/zinc/81/55/99/983815599.db2.gz CEZYDQLAWJXCOD-BDAKNGLRSA-N 1 2 239.237 1.187 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CCO)c1cccc(C#N)c1O ZINC000866268664 983856899 /nfs/dbraw/zinc/85/68/99/983856899.db2.gz BITAXABYGNGNBU-VHSXEESVSA-N 1 2 234.299 1.685 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](COCC)C(C)C)C(=O)OC ZINC000878598114 983965793 /nfs/dbraw/zinc/96/57/93/983965793.db2.gz XIEPHIMBMMJWRG-VXGBXAGGSA-N 1 2 243.347 1.755 20 30 BDEDLO C=C[C@@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001253564203 984220357 /nfs/dbraw/zinc/22/03/57/984220357.db2.gz BSUVECPAURCSKT-SNVBAGLBSA-N 1 2 207.277 1.106 20 30 BDEDLO C=C[C@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001253564347 984221212 /nfs/dbraw/zinc/22/12/12/984221212.db2.gz DJGVUBRRUJYWNZ-LBPRGKRZSA-N 1 2 206.289 1.711 20 30 BDEDLO C#C[C@@H](CO)[NH2+]Cc1nn(CC)c2ccccc12 ZINC000718144073 984395593 /nfs/dbraw/zinc/39/55/93/984395593.db2.gz PMFYVNSZOZLGLS-NSHDSACASA-N 1 2 243.310 1.140 20 30 BDEDLO COc1nc(C)c(-c2c[nH+]cn2C)c(C)c1C#N ZINC001243068884 984488086 /nfs/dbraw/zinc/48/80/86/984488086.db2.gz KMAGIJZLBWSSBW-UHFFFAOYSA-N 1 2 242.282 1.979 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000886036950 984880565 /nfs/dbraw/zinc/88/05/65/984880565.db2.gz ZTGDLTFKRVJNQS-SECBINFHSA-N 1 2 217.696 1.576 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000886036950 984880566 /nfs/dbraw/zinc/88/05/66/984880566.db2.gz ZTGDLTFKRVJNQS-SECBINFHSA-N 1 2 217.696 1.576 20 30 BDEDLO C[C@@H](Cc1ccco1)N1CC[NH2+]C[C@@H]1C#N ZINC001258186499 985580244 /nfs/dbraw/zinc/58/02/44/985580244.db2.gz NWXIVJZHNSBQHV-QWRGUYRKSA-N 1 2 219.288 1.008 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001459993676 985693440 /nfs/dbraw/zinc/69/34/40/985693440.db2.gz QLHNBRRUDPSKRL-SECBINFHSA-N 1 2 230.258 1.382 20 30 BDEDLO COc1ccc(CN2CC[NH2+]C[C@@H]2C#N)cc1C ZINC001579213170 985819498 /nfs/dbraw/zinc/81/94/98/985819498.db2.gz DTSWHWOWXPMHQH-ZDUSSCGKSA-N 1 2 245.326 1.301 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1ccc(O)c(F)c1F ZINC001462126842 986292633 /nfs/dbraw/zinc/29/26/33/986292633.db2.gz IXHRCBIOWSZSPN-SECBINFHSA-N 1 2 243.253 1.961 20 30 BDEDLO C#CC1(O)C[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001462635061 986463195 /nfs/dbraw/zinc/46/31/95/986463195.db2.gz CHXAZAPBWRLPSA-HUUCEWRRSA-N 1 2 241.334 1.860 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(C#N)CC1 ZINC001464563908 986645377 /nfs/dbraw/zinc/64/53/77/986645377.db2.gz VOELHQZFEYZPMQ-UHFFFAOYSA-N 1 2 246.314 1.115 20 30 BDEDLO Cc1ccc2[nH+]cc(CN3CC[C@H](C#N)C3)n2c1 ZINC001137310056 986743258 /nfs/dbraw/zinc/74/32/58/986743258.db2.gz GDPGGGSNSGUPBR-GFCCVEGCSA-N 1 2 240.310 1.988 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001255164172 986838666 /nfs/dbraw/zinc/83/86/66/986838666.db2.gz HSRBTLOPMOFBQS-AEJSXWLSSA-N 1 2 227.308 1.188 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC001137412759 986886862 /nfs/dbraw/zinc/88/68/62/986886862.db2.gz FMUIPCIBGIRQNM-UHFFFAOYSA-N 1 2 231.343 1.694 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2ccc(F)nc2)n1 ZINC001474281388 987673738 /nfs/dbraw/zinc/67/37/38/987673738.db2.gz FTAOJMCSXQPURH-UHFFFAOYSA-N 1 2 248.286 1.839 20 30 BDEDLO C=CCO[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001116883607 987748872 /nfs/dbraw/zinc/74/88/72/987748872.db2.gz QEWAUDGUVZLVKR-LBPRGKRZSA-N 1 2 249.314 1.146 20 30 BDEDLO C=CCO[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001116883607 987748877 /nfs/dbraw/zinc/74/88/77/987748877.db2.gz QEWAUDGUVZLVKR-LBPRGKRZSA-N 1 2 249.314 1.146 20 30 BDEDLO C[C@H](C(=O)NCC(C)(C)CCC#N)n1cc[nH+]c1 ZINC001117518236 987844566 /nfs/dbraw/zinc/84/45/66/987844566.db2.gz RHWUQRIRYQIETE-LLVKDONJSA-N 1 2 248.330 1.890 20 30 BDEDLO N#CCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001117691805 987864971 /nfs/dbraw/zinc/86/49/71/987864971.db2.gz OTHFUYVTACIKQG-JTQLQIEISA-N 1 2 232.287 1.008 20 30 BDEDLO C[NH+]1CCN(C(=O)c2csc(C#N)c2)CC1 ZINC001117778497 987905633 /nfs/dbraw/zinc/90/56/33/987905633.db2.gz VSFXGCAMGLEECQ-UHFFFAOYSA-N 1 2 235.312 1.007 20 30 BDEDLO N#C[C@@H]1CC[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)C1 ZINC001246585921 988137713 /nfs/dbraw/zinc/13/77/13/988137713.db2.gz YRNFYLRDVONLGP-KXUCPTDWSA-N 1 2 229.274 1.347 20 30 BDEDLO C=CCC(C)(C)C(=O)NC1C[NH+](CCOC)C1 ZINC001494456613 988145422 /nfs/dbraw/zinc/14/54/22/988145422.db2.gz LFZBZLCJGVINKQ-UHFFFAOYSA-N 1 2 240.347 1.036 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001494706758 988181104 /nfs/dbraw/zinc/18/11/04/988181104.db2.gz VFFTVBKEIQRGNB-NSHDSACASA-N 1 2 240.322 1.196 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001494706758 988181116 /nfs/dbraw/zinc/18/11/16/988181116.db2.gz VFFTVBKEIQRGNB-NSHDSACASA-N 1 2 240.322 1.196 20 30 BDEDLO N#CC[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001118777980 988580703 /nfs/dbraw/zinc/58/07/03/988580703.db2.gz PPDYDPQRYJYIPG-NSHDSACASA-N 1 2 246.314 1.495 20 30 BDEDLO N#CC[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001118777980 988580713 /nfs/dbraw/zinc/58/07/13/988580713.db2.gz PPDYDPQRYJYIPG-NSHDSACASA-N 1 2 246.314 1.495 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccnc(F)c2)C1 ZINC001118826125 988624958 /nfs/dbraw/zinc/62/49/58/988624958.db2.gz ITGHUNBOSPLJMK-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001118826125 988624970 /nfs/dbraw/zinc/62/49/70/988624970.db2.gz ITGHUNBOSPLJMK-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO CO[C@H](CC(C)C)C[NH+]1CC(O)(CC#N)C1 ZINC001119303185 988919517 /nfs/dbraw/zinc/91/95/17/988919517.db2.gz ZMCUCBMNRJAANX-LLVKDONJSA-N 1 2 226.320 1.008 20 30 BDEDLO CCC1(C=[NH+]n2nnc(C)c2C)CCOCC1 ZINC001119357702 989006840 /nfs/dbraw/zinc/00/68/40/989006840.db2.gz JZKLZPFGAYLMAH-UHFFFAOYSA-N 1 2 236.319 1.936 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H](c3ncccn3)C2)CC1 ZINC001119376384 989018553 /nfs/dbraw/zinc/01/85/53/989018553.db2.gz QJSUSTNAUZKMPW-LBPRGKRZSA-N 1 2 242.326 1.960 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H](c3ncccn3)C2)CC1 ZINC001119376384 989018561 /nfs/dbraw/zinc/01/85/61/989018561.db2.gz QJSUSTNAUZKMPW-LBPRGKRZSA-N 1 2 242.326 1.960 20 30 BDEDLO C#CCN(CC1CC1)C(=O)CCc1c[nH+]cn1C ZINC001324986889 989046179 /nfs/dbraw/zinc/04/61/79/989046179.db2.gz AKZLRPBDNGRAQI-UHFFFAOYSA-N 1 2 245.326 1.225 20 30 BDEDLO Cc1[nH]c(CNc2ccc(C#N)cn2)[nH+]c1C ZINC001515988863 989132876 /nfs/dbraw/zinc/13/28/76/989132876.db2.gz MMEBZYBGMUXAMB-UHFFFAOYSA-N 1 2 227.271 1.905 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@](O)(C3CC3)C2)n1 ZINC001326137289 989389580 /nfs/dbraw/zinc/38/95/80/989389580.db2.gz HIMKISMWYGYTHY-LBPRGKRZSA-N 1 2 249.339 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)n1 ZINC001326137289 989389594 /nfs/dbraw/zinc/38/95/94/989389594.db2.gz HIMKISMWYGYTHY-LBPRGKRZSA-N 1 2 249.339 1.362 20 30 BDEDLO C[C@]1(C2CC2)COCC[N@@H+]1CC1(C#N)CC1 ZINC001119888131 989454702 /nfs/dbraw/zinc/45/47/02/989454702.db2.gz NZISMGSXUQHIQJ-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO C[C@]1(C2CC2)COCC[N@H+]1CC1(C#N)CC1 ZINC001119888131 989454709 /nfs/dbraw/zinc/45/47/09/989454709.db2.gz NZISMGSXUQHIQJ-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO C#CCC1(NC(=O)[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001119909939 989472292 /nfs/dbraw/zinc/47/22/92/989472292.db2.gz HZBDOQDIXRPVRP-LLVKDONJSA-N 1 2 231.299 1.506 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc(F)cc1 ZINC001120058611 989580129 /nfs/dbraw/zinc/58/01/29/989580129.db2.gz XDVZQQDVMROXLC-AWEZNQCLSA-N 1 2 233.286 1.702 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc(F)cc1 ZINC001120058611 989580137 /nfs/dbraw/zinc/58/01/37/989580137.db2.gz XDVZQQDVMROXLC-AWEZNQCLSA-N 1 2 233.286 1.702 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCC#N ZINC001326744795 989679731 /nfs/dbraw/zinc/67/97/31/989679731.db2.gz VDAKDPRETGMPHX-JTQLQIEISA-N 1 2 234.303 1.398 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCC#N ZINC001326744795 989679752 /nfs/dbraw/zinc/67/97/52/989679752.db2.gz VDAKDPRETGMPHX-JTQLQIEISA-N 1 2 234.303 1.398 20 30 BDEDLO C=C(C)CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001120600577 989771275 /nfs/dbraw/zinc/77/12/75/989771275.db2.gz CWUCEOOXCYZUKE-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(C)CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001120600577 989771287 /nfs/dbraw/zinc/77/12/87/989771287.db2.gz CWUCEOOXCYZUKE-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(C[NH+](C)C)C(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001120694616 989833575 /nfs/dbraw/zinc/83/35/75/989833575.db2.gz VKGFRUDPSGVHNB-INIZCTEOSA-N 1 2 246.376 1.527 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1nnccc1C#N ZINC001120912118 989964028 /nfs/dbraw/zinc/96/40/28/989964028.db2.gz YOVKJZZIMZTCMV-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO Cn1cc[nH+]c1CCNC(=O)C#CC(C)(C)C ZINC001528968909 990324521 /nfs/dbraw/zinc/32/45/21/990324521.db2.gz CNJPMUFPXBVLNS-UHFFFAOYSA-N 1 2 233.315 1.128 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccsc1C#N ZINC001545170159 990746423 /nfs/dbraw/zinc/74/64/23/990746423.db2.gz PMOCALCRNYRKBX-UHFFFAOYSA-N 1 2 246.295 1.581 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001556593064 990835308 /nfs/dbraw/zinc/83/53/08/990835308.db2.gz PBXUDXVFULJDFR-LLVKDONJSA-N 1 2 247.342 1.774 20 30 BDEDLO Cc1noc2ncc(C[NH2+][C@H](C)CC#N)cc12 ZINC001308505226 991015473 /nfs/dbraw/zinc/01/54/73/991015473.db2.gz AWGYIBTUPCUNEM-MRVPVSSYSA-N 1 2 230.271 1.923 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138740752 991026000 /nfs/dbraw/zinc/02/60/00/991026000.db2.gz JLCGZJASNSKTRI-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138740752 991026015 /nfs/dbraw/zinc/02/60/15/991026015.db2.gz JLCGZJASNSKTRI-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(OCCO)cc1 ZINC001138797782 991058106 /nfs/dbraw/zinc/05/81/06/991058106.db2.gz FMZNWGGKHAVNHC-UHFFFAOYSA-N 1 2 248.326 1.793 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(OCCO)cc1 ZINC001138797782 991058111 /nfs/dbraw/zinc/05/81/11/991058111.db2.gz FMZNWGGKHAVNHC-UHFFFAOYSA-N 1 2 248.326 1.793 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1C1CCCCCCC1 ZINC001258237265 991179965 /nfs/dbraw/zinc/17/99/65/991179965.db2.gz IACDXNKLNZPCAP-ZDUSSCGKSA-N 1 2 221.348 1.897 20 30 BDEDLO C[C@@H](C[NH+]1CCC(C)(C#N)CC1)S(C)(=O)=O ZINC001559675126 991211626 /nfs/dbraw/zinc/21/16/26/991211626.db2.gz BIXSBZJJBDKAMN-JTQLQIEISA-N 1 2 244.360 1.045 20 30 BDEDLO C[C@@](CO)([NH2+]CC1(C#N)CC1)c1cccc(O)c1 ZINC001559876219 991300162 /nfs/dbraw/zinc/30/01/62/991300162.db2.gz QYVAFHMPQCROAY-ZDUSSCGKSA-N 1 2 246.310 1.493 20 30 BDEDLO C#C[C@H](CCC)NC(=O)NCc1ccc[nH+]c1N ZINC001312936225 991368915 /nfs/dbraw/zinc/36/89/15/991368915.db2.gz FPYDBNGWUOWAQZ-LLVKDONJSA-N 1 2 246.314 1.265 20 30 BDEDLO C#CC1(O)C[NH+](CCCc2cccc(OC)c2)C1 ZINC001560203133 991413710 /nfs/dbraw/zinc/41/37/10/991413710.db2.gz PHFBRFHHVJPMHL-UHFFFAOYSA-N 1 2 245.322 1.308 20 30 BDEDLO CCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001258500109 991469522 /nfs/dbraw/zinc/46/95/22/991469522.db2.gz XVRICLTXNUNTKT-NWDGAFQWSA-N 1 2 238.331 1.954 20 30 BDEDLO CCOC(=O)CC[C@H](C)[N@H+]1CCC[C@H](C#N)C1 ZINC001258500109 991469525 /nfs/dbraw/zinc/46/95/25/991469525.db2.gz XVRICLTXNUNTKT-NWDGAFQWSA-N 1 2 238.331 1.954 20 30 BDEDLO C=C1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001318611527 991689575 /nfs/dbraw/zinc/68/95/75/991689575.db2.gz FKEUKGXJXQRARH-LLVKDONJSA-N 1 2 219.288 1.623 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258807529 991811908 /nfs/dbraw/zinc/81/19/08/991811908.db2.gz QOSRTAOTXNTSMB-GUBZILKMSA-N 1 2 231.361 1.626 20 30 BDEDLO C#CC1(O)C[NH+](C[C@H]2CCc3ccccc32)C1 ZINC001474738686 991855918 /nfs/dbraw/zinc/85/59/18/991855918.db2.gz WMWAUADDBLQEEG-CYBMUJFWSA-N 1 2 227.307 1.396 20 30 BDEDLO C#CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319774219 991973240 /nfs/dbraw/zinc/97/32/40/991973240.db2.gz MICPJYCVSSQVPQ-UHFFFAOYSA-N 1 2 216.240 1.934 20 30 BDEDLO C#CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319774219 991973261 /nfs/dbraw/zinc/97/32/61/991973261.db2.gz MICPJYCVSSQVPQ-UHFFFAOYSA-N 1 2 216.240 1.934 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)CCC)C1 ZINC001567788121 992090116 /nfs/dbraw/zinc/09/01/16/992090116.db2.gz GNDXNBWEPJYWJQ-NSHDSACASA-N 1 2 224.348 1.799 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)C)C1 ZINC001568212891 992148843 /nfs/dbraw/zinc/14/88/43/992148843.db2.gz HVWXYZITGSFKFH-LBPRGKRZSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)C)C1 ZINC001568212891 992148836 /nfs/dbraw/zinc/14/88/36/992148836.db2.gz HVWXYZITGSFKFH-LBPRGKRZSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)C(=O)OCCCC ZINC001320282399 992155264 /nfs/dbraw/zinc/15/52/64/992155264.db2.gz TXOMWBBKMYNDEI-LBPRGKRZSA-N 1 2 241.331 1.300 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)C(=O)OCCCC ZINC001320282399 992155271 /nfs/dbraw/zinc/15/52/71/992155271.db2.gz TXOMWBBKMYNDEI-LBPRGKRZSA-N 1 2 241.331 1.300 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC001320320857 992169253 /nfs/dbraw/zinc/16/92/53/992169253.db2.gz KDARLESIHYICLF-LLVKDONJSA-N 1 2 224.329 1.920 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC001320320857 992169256 /nfs/dbraw/zinc/16/92/56/992169256.db2.gz KDARLESIHYICLF-LLVKDONJSA-N 1 2 224.329 1.920 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2ccc3nonc3c2)C1 ZINC001474751753 992378521 /nfs/dbraw/zinc/37/85/21/992378521.db2.gz QZEUOETYVAHISU-UHFFFAOYSA-N 1 2 245.282 1.346 20 30 BDEDLO C=CC[C@@H](NCc1c[nH+]cn1C)C(=O)OCC ZINC001320905920 992397300 /nfs/dbraw/zinc/39/73/00/992397300.db2.gz LMBNKCUEEZRSCQ-LLVKDONJSA-N 1 2 237.303 1.018 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC1 ZINC001570693997 992501213 /nfs/dbraw/zinc/50/12/13/992501213.db2.gz VMNQAQWLKDZFJD-VIFPVBQESA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1CC1 ZINC001570693997 992501220 /nfs/dbraw/zinc/50/12/20/992501220.db2.gz VMNQAQWLKDZFJD-VIFPVBQESA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(CC)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001263841358 993547130 /nfs/dbraw/zinc/54/71/30/993547130.db2.gz JFFSUSMYSHVHFO-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001264371730 993717375 /nfs/dbraw/zinc/71/73/75/993717375.db2.gz ZNHDHCAVQGDRPV-LBPRGKRZSA-N 1 2 242.338 1.845 20 30 BDEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001264371730 993717378 /nfs/dbraw/zinc/71/73/78/993717378.db2.gz ZNHDHCAVQGDRPV-LBPRGKRZSA-N 1 2 242.338 1.845 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CC ZINC001316599993 994091284 /nfs/dbraw/zinc/09/12/84/994091284.db2.gz GDLAQXWWJWOGJF-RYUDHWBXSA-N 1 2 240.322 1.291 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CC ZINC001316599993 994091298 /nfs/dbraw/zinc/09/12/98/994091298.db2.gz GDLAQXWWJWOGJF-RYUDHWBXSA-N 1 2 240.322 1.291 20 30 BDEDLO CC(C)c1[nH]cc(CNC(=O)C(C)(C)C#N)[nH+]1 ZINC001304107701 995188687 /nfs/dbraw/zinc/18/86/87/995188687.db2.gz KENBEUCLKFSOMX-UHFFFAOYSA-N 1 2 234.303 1.699 20 30 BDEDLO CC(C)c1[nH]c(CNC(=O)C(C)(C)C#N)c[nH+]1 ZINC001304107701 995188691 /nfs/dbraw/zinc/18/86/91/995188691.db2.gz KENBEUCLKFSOMX-UHFFFAOYSA-N 1 2 234.303 1.699 20 30 BDEDLO C#CC1(O)C[NH+](CC/C=C/c2ccccc2)C1 ZINC001308137236 995567887 /nfs/dbraw/zinc/56/78/87/995567887.db2.gz PPXCXTQASYYING-UXBLZVDNSA-N 1 2 227.307 1.770 20 30 BDEDLO CC(C)C[C@@H](C(=O)N[C@H](C)CC#N)n1cc[nH+]c1 ZINC000602086461 349434282 /nfs/dbraw/zinc/43/42/82/349434282.db2.gz RLNNEUJILZCIFR-NEPJUHHUSA-N 1 2 248.330 1.889 20 30 BDEDLO CC[C@H](C#N)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602088280 349434765 /nfs/dbraw/zinc/43/47/65/349434765.db2.gz KKJGTUUPSOOKFH-LLVKDONJSA-N 1 2 242.282 1.675 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602099029 349439926 /nfs/dbraw/zinc/43/99/26/349439926.db2.gz VGEGAHKPEAVLAJ-BBBLOLIVSA-N 1 2 232.287 1.178 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602099029 349439928 /nfs/dbraw/zinc/43/99/28/349439928.db2.gz VGEGAHKPEAVLAJ-BBBLOLIVSA-N 1 2 232.287 1.178 20 30 BDEDLO C=C(Br)C[N@H+]1CCOC[C@H](C)C1 ZINC000307677687 349440830 /nfs/dbraw/zinc/44/08/30/349440830.db2.gz JEYGWHYROJANDU-MRVPVSSYSA-N 1 2 234.137 1.863 20 30 BDEDLO C=C(Br)C[N@@H+]1CCOC[C@H](C)C1 ZINC000307677687 349440832 /nfs/dbraw/zinc/44/08/32/349440832.db2.gz JEYGWHYROJANDU-MRVPVSSYSA-N 1 2 234.137 1.863 20 30 BDEDLO CC(C)C[C@@H](C(=O)NC1(C#N)CC1)n1cc[nH+]c1 ZINC000602103807 349442268 /nfs/dbraw/zinc/44/22/68/349442268.db2.gz PSLZEQIHDDWXLX-NSHDSACASA-N 1 2 246.314 1.643 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(OC)ccc1OC ZINC000174524253 192025666 /nfs/dbraw/zinc/02/56/66/192025666.db2.gz GGBWYUXEAWLRCN-UHFFFAOYSA-N 1 2 243.306 1.772 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602136051 349449429 /nfs/dbraw/zinc/44/94/29/349449429.db2.gz NLZDNLPGMOOHDA-IVZWLZJFSA-N 1 2 232.287 1.322 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602136051 349449434 /nfs/dbraw/zinc/44/94/34/349449434.db2.gz NLZDNLPGMOOHDA-IVZWLZJFSA-N 1 2 232.287 1.322 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602136052 349449655 /nfs/dbraw/zinc/44/96/55/349449655.db2.gz NLZDNLPGMOOHDA-OPRDCNLKSA-N 1 2 232.287 1.322 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602136052 349449658 /nfs/dbraw/zinc/44/96/58/349449658.db2.gz NLZDNLPGMOOHDA-OPRDCNLKSA-N 1 2 232.287 1.322 20 30 BDEDLO CC(C)C[C@H](C(=O)N1CC(C#N)C1)n1cc[nH+]c1 ZINC000602155033 349463202 /nfs/dbraw/zinc/46/32/02/349463202.db2.gz KDUCXHHZMRDVAP-GFCCVEGCSA-N 1 2 246.314 1.452 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@]2(C#N)CC2(C)C)[nH+]1 ZINC000602155137 349463834 /nfs/dbraw/zinc/46/38/34/349463834.db2.gz ZIRMQWKRAVEUCT-ZDUSSCGKSA-N 1 2 246.314 1.323 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCc1ccccc1)C1CC1 ZINC000274130763 398150140 /nfs/dbraw/zinc/15/01/40/398150140.db2.gz IKNQNUHZZZVVBQ-UHFFFAOYSA-N 1 2 242.322 1.400 20 30 BDEDLO C#CC[N@H+](CC(=O)NCc1ccccc1)C1CC1 ZINC000274130763 398150144 /nfs/dbraw/zinc/15/01/44/398150144.db2.gz IKNQNUHZZZVVBQ-UHFFFAOYSA-N 1 2 242.322 1.400 20 30 BDEDLO CN(CC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177088153 136216919 /nfs/dbraw/zinc/21/69/19/136216919.db2.gz NJLRKAUWLIGZMN-UHFFFAOYSA-N 1 2 227.271 1.223 20 30 BDEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccn(C)n1 ZINC000576339563 365569568 /nfs/dbraw/zinc/56/95/68/365569568.db2.gz CCUJQNTXXKZGBM-MNOVXSKESA-N 1 2 231.303 1.514 20 30 BDEDLO C[C@H](O[NH+]=C(N)CCO)c1cccc(C#N)c1 ZINC000194668189 136221050 /nfs/dbraw/zinc/22/10/50/136221050.db2.gz UFGPBKOZZSGVBZ-VIFPVBQESA-N 1 2 233.271 1.290 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111276433 136221467 /nfs/dbraw/zinc/22/14/67/136221467.db2.gz BJDHUDZAIFIUBN-SDDRHHMPSA-N 1 2 240.347 1.176 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111276433 136221468 /nfs/dbraw/zinc/22/14/68/136221468.db2.gz BJDHUDZAIFIUBN-SDDRHHMPSA-N 1 2 240.347 1.176 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000076186060 398226370 /nfs/dbraw/zinc/22/63/70/398226370.db2.gz DNRBVBVNMLVEEI-ZIAGYGMSSA-N 1 2 246.354 1.250 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000076186058 398226429 /nfs/dbraw/zinc/22/64/29/398226429.db2.gz DNRBVBVNMLVEEI-KGLIPLIRSA-N 1 2 246.354 1.250 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(C)s1 ZINC000076185785 398226531 /nfs/dbraw/zinc/22/65/31/398226531.db2.gz LRYNPFWUNFRJSA-UHFFFAOYSA-N 1 2 204.298 1.520 20 30 BDEDLO C=C(C)CN(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000276610553 538932935 /nfs/dbraw/zinc/93/29/35/538932935.db2.gz PNOUBXNFZUYSAQ-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO C=C(C)CN(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000276610553 538932936 /nfs/dbraw/zinc/93/29/36/538932936.db2.gz PNOUBXNFZUYSAQ-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO C[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[S@]1=O ZINC000334290413 136225093 /nfs/dbraw/zinc/22/50/93/136225093.db2.gz LTRSBYVSZYOVQN-MEBBXXQBSA-N 1 2 228.361 1.379 20 30 BDEDLO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[S@]1=O ZINC000334290413 136225094 /nfs/dbraw/zinc/22/50/94/136225094.db2.gz LTRSBYVSZYOVQN-MEBBXXQBSA-N 1 2 228.361 1.379 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000521367339 259306313 /nfs/dbraw/zinc/30/63/13/259306313.db2.gz ZGNNOPBSVOWGNN-VHSXEESVSA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000521367339 259306315 /nfs/dbraw/zinc/30/63/15/259306315.db2.gz ZGNNOPBSVOWGNN-VHSXEESVSA-N 1 2 221.304 1.669 20 30 BDEDLO COC(=O)c1occc1C[NH+]1CCC(C#N)CC1 ZINC000057880311 136227437 /nfs/dbraw/zinc/22/74/37/136227437.db2.gz BXVFCDHUVRXKSR-UHFFFAOYSA-N 1 2 248.282 1.802 20 30 BDEDLO N#CC1(C(=O)Nc2ccc(N)[nH+]c2)CC2(CC2)C1 ZINC000602427365 349533033 /nfs/dbraw/zinc/53/30/33/349533033.db2.gz FUJFJAGSNUNOAH-UHFFFAOYSA-N 1 2 242.282 1.517 20 30 BDEDLO CCC(C#N)(CC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000602427174 349533333 /nfs/dbraw/zinc/53/33/33/349533333.db2.gz CZAGWKOBULPZBN-UHFFFAOYSA-N 1 2 232.287 1.763 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCCC1 ZINC000576647344 365648848 /nfs/dbraw/zinc/64/88/48/365648848.db2.gz QFWYMYUSLHLHKE-JTQLQIEISA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCCC1 ZINC000576647344 365648855 /nfs/dbraw/zinc/64/88/55/365648855.db2.gz QFWYMYUSLHLHKE-JTQLQIEISA-N 1 2 246.314 1.541 20 30 BDEDLO CCOC(=O)c1ccc(C[N@H+](C)C[C@@H](C)C#N)[nH]1 ZINC000602447294 349547159 /nfs/dbraw/zinc/54/71/59/349547159.db2.gz MJSGWHBYEZVLQY-JTQLQIEISA-N 1 2 249.314 1.783 20 30 BDEDLO CCOC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)[nH]1 ZINC000602447294 349547162 /nfs/dbraw/zinc/54/71/62/349547162.db2.gz MJSGWHBYEZVLQY-JTQLQIEISA-N 1 2 249.314 1.783 20 30 BDEDLO C=C1CC[NH+](Cc2cc(C(=O)OC)no2)CC1 ZINC000602464210 349557104 /nfs/dbraw/zinc/55/71/04/349557104.db2.gz LFGIKLIIUDVKNR-UHFFFAOYSA-N 1 2 236.271 1.613 20 30 BDEDLO CC(C)(NC(=O)c1c[nH]c(C#N)c1)c1[nH]cc[nH+]1 ZINC000576762180 365679550 /nfs/dbraw/zinc/67/95/50/365679550.db2.gz PISPUJJACUJTEG-UHFFFAOYSA-N 1 2 243.270 1.275 20 30 BDEDLO Cc1[nH]c(CN(CC#N)C2CC2)[nH+]c1C ZINC000600115537 342672757 /nfs/dbraw/zinc/67/27/57/342672757.db2.gz SYUATOIPEYHEGR-UHFFFAOYSA-N 1 2 204.277 1.515 20 30 BDEDLO Cc1c[nH]c(CN(CCC#N)CC2CC2)[nH+]1 ZINC000600118136 342674291 /nfs/dbraw/zinc/67/42/91/342674291.db2.gz RDSALZDZZUTABQ-UHFFFAOYSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1c[nH]c(CN(C[C@H](C)C#N)C2CC2)[nH+]1 ZINC000600119931 342676058 /nfs/dbraw/zinc/67/60/58/342676058.db2.gz FUOQPTIOQXJYIG-SECBINFHSA-N 1 2 218.304 1.842 20 30 BDEDLO Cc1[nH]c(CN(CCC#N)CCC#N)[nH+]c1C ZINC000600135550 342688005 /nfs/dbraw/zinc/68/80/05/342688005.db2.gz JAEUHEYXQVGKGK-UHFFFAOYSA-N 1 2 231.303 1.656 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000600143504 342689747 /nfs/dbraw/zinc/68/97/47/342689747.db2.gz CRXLPKFSFNBCNK-QMMMGPOBSA-N 1 2 205.261 1.801 20 30 BDEDLO CC(C)Cn1cc(C[NH2+]C[C@@H](C)C#N)cn1 ZINC000183833558 346859587 /nfs/dbraw/zinc/85/95/87/346859587.db2.gz WQVQOFZWUUSKKJ-NSHDSACASA-N 1 2 220.320 1.788 20 30 BDEDLO CC#CCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000545904730 361911800 /nfs/dbraw/zinc/91/18/00/361911800.db2.gz BPFDHPIFWFOHCQ-LLVKDONJSA-N 1 2 241.356 1.380 20 30 BDEDLO CC#CCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000545904730 361911803 /nfs/dbraw/zinc/91/18/03/361911803.db2.gz BPFDHPIFWFOHCQ-LLVKDONJSA-N 1 2 241.356 1.380 20 30 BDEDLO COc1ccc(NC[C@@H](C)CCC#N)[nH+]c1 ZINC000602571139 349621764 /nfs/dbraw/zinc/62/17/64/349621764.db2.gz YDHODLSCYKQKAG-JTQLQIEISA-N 1 2 219.288 1.864 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H]1CCCO1 ZINC000356088335 398289163 /nfs/dbraw/zinc/28/91/63/398289163.db2.gz OJZJCJGGEMTAQC-JTQLQIEISA-N 1 2 237.328 1.626 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H]1CCCO1 ZINC000356088335 398289166 /nfs/dbraw/zinc/28/91/66/398289166.db2.gz OJZJCJGGEMTAQC-JTQLQIEISA-N 1 2 237.328 1.626 20 30 BDEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000380139040 538985788 /nfs/dbraw/zinc/98/57/88/538985788.db2.gz VCUAAJQIZFYPMY-UWVGGRQHSA-N 1 2 206.293 1.268 20 30 BDEDLO N#Cc1ccc(OCC[NH2+]Cc2ccn[nH]2)cc1 ZINC000174559173 361930140 /nfs/dbraw/zinc/93/01/40/361930140.db2.gz NIVRZHBXJLABBZ-UHFFFAOYSA-N 1 2 242.282 1.450 20 30 BDEDLO Cc1ccc(Cn2cc(C#N)nn2)c(C)[nH+]1 ZINC000603332919 398300084 /nfs/dbraw/zinc/30/00/84/398300084.db2.gz BVLPEIQJEGJVQI-UHFFFAOYSA-N 1 2 213.244 1.210 20 30 BDEDLO CC[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000233434638 342862369 /nfs/dbraw/zinc/86/23/69/342862369.db2.gz PNWRKUJUWQGJFL-UHFFFAOYSA-N 1 2 235.262 1.005 20 30 BDEDLO CC[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000233434638 342862370 /nfs/dbraw/zinc/86/23/70/342862370.db2.gz PNWRKUJUWQGJFL-UHFFFAOYSA-N 1 2 235.262 1.005 20 30 BDEDLO Cc1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000267681936 398304798 /nfs/dbraw/zinc/30/47/98/398304798.db2.gz WYJGOORUOVJUKX-UHFFFAOYSA-N 1 2 241.298 1.617 20 30 BDEDLO Cc1nnc(C[N@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000267681936 398304800 /nfs/dbraw/zinc/30/48/00/398304800.db2.gz WYJGOORUOVJUKX-UHFFFAOYSA-N 1 2 241.298 1.617 20 30 BDEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000091980739 398323060 /nfs/dbraw/zinc/32/30/60/398323060.db2.gz BSGWJJRRPQLIDJ-SNVBAGLBSA-N 1 2 220.272 1.762 20 30 BDEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000091980739 398323062 /nfs/dbraw/zinc/32/30/62/398323062.db2.gz BSGWJJRRPQLIDJ-SNVBAGLBSA-N 1 2 220.272 1.762 20 30 BDEDLO C[C@@H](CC#N)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000077214932 342902351 /nfs/dbraw/zinc/90/23/51/342902351.db2.gz UDBWFHUEJNASDF-VIFPVBQESA-N 1 2 228.259 1.376 20 30 BDEDLO COC(=O)[C@@H](CC(F)F)[NH2+]C[C@H](C)CCC#N ZINC000602630443 349647672 /nfs/dbraw/zinc/64/76/72/349647672.db2.gz ADVNUGLUDHCNDD-RKDXNWHRSA-N 1 2 248.273 1.713 20 30 BDEDLO Cn1ccnc1[C@H]([NH2+]CC1(C#N)CC1)C1CC1 ZINC000602642360 349654787 /nfs/dbraw/zinc/65/47/87/349654787.db2.gz KKBPTAALGAHCAV-LLVKDONJSA-N 1 2 230.315 1.765 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H](CC)C1CC1)C(=O)OC ZINC000602644213 349657080 /nfs/dbraw/zinc/65/70/80/349657080.db2.gz WVQHKPQORLPVHA-RYUDHWBXSA-N 1 2 241.331 1.509 20 30 BDEDLO CO[C@@](C)(C[N@@H+]1CC[C@](F)(C#N)C1)C1CC1 ZINC000602629515 349665170 /nfs/dbraw/zinc/66/51/70/349665170.db2.gz KPUCYORMYKCXQM-RYUDHWBXSA-N 1 2 226.295 1.739 20 30 BDEDLO CO[C@@](C)(C[N@H+]1CC[C@](F)(C#N)C1)C1CC1 ZINC000602629515 349665171 /nfs/dbraw/zinc/66/51/71/349665171.db2.gz KPUCYORMYKCXQM-RYUDHWBXSA-N 1 2 226.295 1.739 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OCC ZINC000602679138 349671443 /nfs/dbraw/zinc/67/14/43/349671443.db2.gz CDMMPZCOXRFJRM-SRVKXCTJSA-N 1 2 243.347 1.897 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OCC ZINC000602679139 349671761 /nfs/dbraw/zinc/67/17/61/349671761.db2.gz CDMMPZCOXRFJRM-TUAOUCFPSA-N 1 2 243.347 1.897 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000616820408 346902357 /nfs/dbraw/zinc/90/23/57/346902357.db2.gz QQYQSTQKWXBAPF-FJJYHAOUSA-N 1 2 227.373 1.630 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000616820408 346902359 /nfs/dbraw/zinc/90/23/59/346902359.db2.gz QQYQSTQKWXBAPF-FJJYHAOUSA-N 1 2 227.373 1.630 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C#N)C1CC1 ZINC000492537402 529556135 /nfs/dbraw/zinc/55/61/35/529556135.db2.gz QOWUCHWNXLVFSW-MVIFTORASA-N 1 2 244.298 1.335 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(C)(C#N)C1 ZINC000493398654 529556913 /nfs/dbraw/zinc/55/69/13/529556913.db2.gz WUBMBRDFAPBESS-PLNGDYQASA-N 1 2 244.298 1.288 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602769405 349724417 /nfs/dbraw/zinc/72/44/17/349724417.db2.gz DLDUEIOWIWZESZ-DGCLKSJQSA-N 1 2 249.358 1.621 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602769405 349724419 /nfs/dbraw/zinc/72/44/19/349724419.db2.gz DLDUEIOWIWZESZ-DGCLKSJQSA-N 1 2 249.358 1.621 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000602738498 349708753 /nfs/dbraw/zinc/70/87/53/349708753.db2.gz KXOPXYVZQCLHHZ-NWDGAFQWSA-N 1 2 241.331 1.509 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000602733669 349718771 /nfs/dbraw/zinc/71/87/71/349718771.db2.gz KNDVENNKRNNJQQ-YPMHNXCESA-N 1 2 243.347 1.899 20 30 BDEDLO COC(=O)C(C)(C)[N@H+](C)CC1(CC#N)CC1 ZINC000602792778 349735669 /nfs/dbraw/zinc/73/56/69/349735669.db2.gz SMSPXYIAWDWUBY-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)C(C)(C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602792778 349735670 /nfs/dbraw/zinc/73/56/70/349735670.db2.gz SMSPXYIAWDWUBY-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO Cc1cn2cc(NC(=O)[C@H](C)C#N)ccc2[nH+]1 ZINC000335909388 136261464 /nfs/dbraw/zinc/26/14/64/136261464.db2.gz GULRBJQKXBOQIZ-MRVPVSSYSA-N 1 2 228.255 1.741 20 30 BDEDLO Cc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602861705 349773464 /nfs/dbraw/zinc/77/34/64/349773464.db2.gz HTIXSCWVWOJDGR-LLVKDONJSA-N 1 2 231.299 1.825 20 30 BDEDLO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602862058 349773674 /nfs/dbraw/zinc/77/36/74/349773674.db2.gz KTMJZANNIDJCGQ-QWRGUYRKSA-N 1 2 225.336 1.429 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1F ZINC000602863215 349776832 /nfs/dbraw/zinc/77/68/32/349776832.db2.gz LYGJVJUNLPGPCX-SNVBAGLBSA-N 1 2 249.289 1.334 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602860362 349772018 /nfs/dbraw/zinc/77/20/18/349772018.db2.gz CTIISHGZXKPFKH-NXEZZACHSA-N 1 2 211.309 1.133 20 30 BDEDLO Cn1cc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000352464390 136263815 /nfs/dbraw/zinc/26/38/15/136263815.db2.gz SOISAAIFJYBRJB-UHFFFAOYSA-N 1 2 222.267 1.248 20 30 BDEDLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)CC#N ZINC000602864042 349796305 /nfs/dbraw/zinc/79/63/05/349796305.db2.gz PXSQMENJBJFEPQ-NWDGAFQWSA-N 1 2 237.347 1.669 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cn2cccnc2n1 ZINC000602864629 349796863 /nfs/dbraw/zinc/79/68/63/349796863.db2.gz SFMGBHAKYWVNOO-SECBINFHSA-N 1 2 215.260 1.121 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000602865152 349796954 /nfs/dbraw/zinc/79/69/54/349796954.db2.gz UBPOUIWMHUVLBV-MNOVXSKESA-N 1 2 223.320 1.279 20 30 BDEDLO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602865508 349798266 /nfs/dbraw/zinc/79/82/66/349798266.db2.gz YNZGXJKEBZHYFJ-NXEZZACHSA-N 1 2 225.336 1.571 20 30 BDEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)CC#N ZINC000602868675 349799588 /nfs/dbraw/zinc/79/95/88/349799588.db2.gz KIDLHIYQUKAEPU-JTQLQIEISA-N 1 2 229.283 1.959 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nccs1 ZINC000602869844 349800516 /nfs/dbraw/zinc/80/05/16/349800516.db2.gz PQWXAHLHYAFMOJ-YUMQZZPRSA-N 1 2 238.316 1.362 20 30 BDEDLO Cc1cnc([C@H](C)[NH2+][C@H](C)CC#N)cn1 ZINC000602869992 349800906 /nfs/dbraw/zinc/80/09/06/349800906.db2.gz JSIIMIWWWCHZQX-SCZZXKLOSA-N 1 2 204.277 1.738 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000608919542 343243133 /nfs/dbraw/zinc/24/31/33/343243133.db2.gz WNNMVOIBORQGNB-VXGBXAGGSA-N 1 2 246.310 1.918 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000608919542 343243136 /nfs/dbraw/zinc/24/31/36/343243136.db2.gz WNNMVOIBORQGNB-VXGBXAGGSA-N 1 2 246.310 1.918 20 30 BDEDLO C[N@H+](Cc1ccon1)[C@H]1CC[C@H](C#N)C1 ZINC000293093246 136289369 /nfs/dbraw/zinc/28/93/69/136289369.db2.gz NIOXVAXIJWJEGK-ONGXEEELSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccon1)[C@H]1CC[C@H](C#N)C1 ZINC000293093246 136289370 /nfs/dbraw/zinc/28/93/70/136289370.db2.gz NIOXVAXIJWJEGK-ONGXEEELSA-N 1 2 205.261 1.799 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000609166553 343323443 /nfs/dbraw/zinc/32/34/43/343323443.db2.gz GZVAAUBENXWHAP-LLVKDONJSA-N 1 2 234.303 1.281 20 30 BDEDLO COC[C@H](C)O[NH+]=C(N)COc1ccccc1 ZINC000177669262 346935276 /nfs/dbraw/zinc/93/52/76/346935276.db2.gz JKZJMMUGGSLDNO-JTQLQIEISA-N 1 2 238.287 1.389 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)o1)C[C@H](O)C(F)(F)F ZINC000349413742 136345061 /nfs/dbraw/zinc/34/50/61/136345061.db2.gz DVLRGBTXVXGQBJ-VIFPVBQESA-N 1 2 248.204 1.506 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)o1)C[C@H](O)C(F)(F)F ZINC000349413742 136345062 /nfs/dbraw/zinc/34/50/62/136345062.db2.gz DVLRGBTXVXGQBJ-VIFPVBQESA-N 1 2 248.204 1.506 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)[C@@H]2CCC[C@H]2O1 ZINC000335686083 136330359 /nfs/dbraw/zinc/33/03/59/136330359.db2.gz MJNVRMJTMKRVOL-GHMZBOCLSA-N 1 2 208.305 1.932 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)[C@@H]2CCC[C@H]2O1 ZINC000335686083 136330360 /nfs/dbraw/zinc/33/03/60/136330360.db2.gz MJNVRMJTMKRVOL-GHMZBOCLSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000329565347 136366212 /nfs/dbraw/zinc/36/62/12/136366212.db2.gz SNPKGQUDEVTWDI-IUCAKERBSA-N 1 2 223.276 1.476 20 30 BDEDLO C=CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048844231 136372869 /nfs/dbraw/zinc/37/28/69/136372869.db2.gz AZHPMJYMXDLLRJ-UHFFFAOYSA-N 1 2 230.271 1.320 20 30 BDEDLO CO[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000602899043 349815012 /nfs/dbraw/zinc/81/50/12/349815012.db2.gz OSFUOLKVBZRYAE-AWEZNQCLSA-N 1 2 246.310 1.557 20 30 BDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000602899043 349815013 /nfs/dbraw/zinc/81/50/13/349815013.db2.gz OSFUOLKVBZRYAE-AWEZNQCLSA-N 1 2 246.310 1.557 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068304925 362250150 /nfs/dbraw/zinc/25/01/50/362250150.db2.gz CNBWBRBJHVVHKS-JTQLQIEISA-N 1 2 242.282 1.566 20 30 BDEDLO Cc1ccnc(NCCn2cc[nH+]c2)c1C#N ZINC000135067580 343703274 /nfs/dbraw/zinc/70/32/74/343703274.db2.gz RLJZVIVIDZABHQ-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO C[N@H+](CCn1ccccc1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602976715 349841233 /nfs/dbraw/zinc/84/12/33/349841233.db2.gz RPETYCWWWIRJTL-CHWSQXEVSA-N 1 2 245.326 1.472 20 30 BDEDLO C[N@@H+](CCn1ccccc1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602976715 349841236 /nfs/dbraw/zinc/84/12/36/349841236.db2.gz RPETYCWWWIRJTL-CHWSQXEVSA-N 1 2 245.326 1.472 20 30 BDEDLO C[N@H+](CC(=O)N1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602976255 349841258 /nfs/dbraw/zinc/84/12/58/349841258.db2.gz NFIKPDQBOZSLTN-STQMWFEESA-N 1 2 249.358 1.623 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602976255 349841261 /nfs/dbraw/zinc/84/12/61/349841261.db2.gz NFIKPDQBOZSLTN-STQMWFEESA-N 1 2 249.358 1.623 20 30 BDEDLO C[N@H+](Cc1ccno1)[C@H]1CCC[C@H]1C#N ZINC000602976327 349841524 /nfs/dbraw/zinc/84/15/24/349841524.db2.gz OCROLSZMSCJGNN-ONGXEEELSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccno1)[C@H]1CCC[C@H]1C#N ZINC000602976327 349841526 /nfs/dbraw/zinc/84/15/26/349841526.db2.gz OCROLSZMSCJGNN-ONGXEEELSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)[C@H]1CCC[C@H]1C#N ZINC000602980003 349844951 /nfs/dbraw/zinc/84/49/51/349844951.db2.gz KKQYODWKSXEJCT-QWRGUYRKSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)[C@H]1CCC[C@H]1C#N ZINC000602980003 349844956 /nfs/dbraw/zinc/84/49/56/349844956.db2.gz KKQYODWKSXEJCT-QWRGUYRKSA-N 1 2 204.277 1.534 20 30 BDEDLO C=CC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000570526877 323062243 /nfs/dbraw/zinc/06/22/43/323062243.db2.gz DFIUXWKEKGLNBO-UHFFFAOYSA-N 1 2 224.348 1.657 20 30 BDEDLO CCC#C[C@@H](C)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625474294 343873801 /nfs/dbraw/zinc/87/38/01/343873801.db2.gz KZLQUJNTNJIAGA-CYBMUJFWSA-N 1 2 246.358 1.329 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(C)C)nn1 ZINC000641188155 362265443 /nfs/dbraw/zinc/26/54/43/362265443.db2.gz GVLLAVKWQFIBOR-LLVKDONJSA-N 1 2 220.320 1.608 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@H](C)[C@@H](C)O1 ZINC000602629295 343938141 /nfs/dbraw/zinc/93/81/41/343938141.db2.gz MHOGZGMAPJQFLC-IJLUTSLNSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H](C)[C@@H](C)O1 ZINC000602629295 343938142 /nfs/dbraw/zinc/93/81/42/343938142.db2.gz MHOGZGMAPJQFLC-IJLUTSLNSA-N 1 2 245.326 1.951 20 30 BDEDLO Cc1cc(N[C@@H]2CC[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000335117739 343929665 /nfs/dbraw/zinc/92/96/65/343929665.db2.gz MYQFXBYGSFZFOO-GHMZBOCLSA-N 1 2 219.263 1.986 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000588928888 344217304 /nfs/dbraw/zinc/21/73/04/344217304.db2.gz UEVHFLDKKDJDOV-UHFFFAOYSA-N 1 2 224.329 1.482 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccsc1 ZINC000588928888 344217305 /nfs/dbraw/zinc/21/73/05/344217305.db2.gz UEVHFLDKKDJDOV-UHFFFAOYSA-N 1 2 224.329 1.482 20 30 BDEDLO Cn1ccc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000135518158 344530073 /nfs/dbraw/zinc/53/00/73/344530073.db2.gz DEEJINKOUSQSAG-UHFFFAOYSA-N 1 2 232.312 1.643 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000085438257 344533599 /nfs/dbraw/zinc/53/35/99/344533599.db2.gz HBGPUSRPKFZYLB-NSHDSACASA-N 1 2 248.330 1.718 20 30 BDEDLO C=CC[C@H](CO)CNc1cc[nH+]cc1F ZINC000641478936 362447024 /nfs/dbraw/zinc/44/70/24/362447024.db2.gz KFXAOFWNAHQRLR-VIFPVBQESA-N 1 2 210.252 1.239 20 30 BDEDLO COc1ccc(C(N)=[NH+]OC[C@@H](C)OC)cc1 ZINC000181585103 347065305 /nfs/dbraw/zinc/06/53/05/347065305.db2.gz HIUCJPYSWZKRQP-SECBINFHSA-N 1 2 238.287 1.367 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(CCCF)CC1 ZINC000626070870 344714098 /nfs/dbraw/zinc/71/40/98/344714098.db2.gz FUANKUVDFBOSGA-ZDUSSCGKSA-N 1 2 226.339 1.766 20 30 BDEDLO C#CC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000076119272 344797633 /nfs/dbraw/zinc/79/76/33/344797633.db2.gz KCZQQYLEOHOCEZ-ZDUSSCGKSA-N 1 2 201.269 1.693 20 30 BDEDLO C#CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000076119272 344797636 /nfs/dbraw/zinc/79/76/36/344797636.db2.gz KCZQQYLEOHOCEZ-ZDUSSCGKSA-N 1 2 201.269 1.693 20 30 BDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000078320868 344845201 /nfs/dbraw/zinc/84/52/01/344845201.db2.gz SFOWPJBOACKUCC-ZDUSSCGKSA-N 1 2 248.326 1.580 20 30 BDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000078320868 344845202 /nfs/dbraw/zinc/84/52/02/344845202.db2.gz SFOWPJBOACKUCC-ZDUSSCGKSA-N 1 2 248.326 1.580 20 30 BDEDLO Cc1cc(NCCC(=O)OC(C)C)c(C#N)c[nH+]1 ZINC000425204198 192082877 /nfs/dbraw/zinc/08/28/77/192082877.db2.gz GMZWZGDRBAFOMH-UHFFFAOYSA-N 1 2 247.298 1.437 20 30 BDEDLO COC(=O)CCCNc1cc(C)[nH+]cc1C#N ZINC000425206670 192084013 /nfs/dbraw/zinc/08/40/13/192084013.db2.gz YEEGSNCRTUKXCW-UHFFFAOYSA-N 1 2 233.271 1.049 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc[nH+]cc1F ZINC000641625119 362557760 /nfs/dbraw/zinc/55/77/60/362557760.db2.gz SETVPVAMDRDWEP-SECBINFHSA-N 1 2 210.252 1.382 20 30 BDEDLO COCC1(C)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425264173 192086098 /nfs/dbraw/zinc/08/60/98/192086098.db2.gz WDNNKLFWBXZYQJ-UHFFFAOYSA-N 1 2 231.299 1.734 20 30 BDEDLO C=C(Br)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000306235784 345129967 /nfs/dbraw/zinc/12/99/67/345129967.db2.gz OLUPIQKQQXTUPF-MRVPVSSYSA-N 1 2 232.121 1.352 20 30 BDEDLO C=C(Br)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000306235784 345129969 /nfs/dbraw/zinc/12/99/69/345129969.db2.gz OLUPIQKQQXTUPF-MRVPVSSYSA-N 1 2 232.121 1.352 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000081514179 345482680 /nfs/dbraw/zinc/48/26/80/345482680.db2.gz MVRMJESKCLNIAI-CYBMUJFWSA-N 1 2 249.358 1.811 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000081514179 345482681 /nfs/dbraw/zinc/48/26/81/345482681.db2.gz MVRMJESKCLNIAI-CYBMUJFWSA-N 1 2 249.358 1.811 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1 ZINC000600973994 345541804 /nfs/dbraw/zinc/54/18/04/345541804.db2.gz UMQUJDYANACSQE-DGCLKSJQSA-N 1 2 243.314 1.256 20 30 BDEDLO C[C@@H](NC(=O)c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000139673889 345800746 /nfs/dbraw/zinc/80/07/46/345800746.db2.gz AXUFLNMBWVEONE-SECBINFHSA-N 1 2 240.266 1.772 20 30 BDEDLO C=C[C@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635673868 345971826 /nfs/dbraw/zinc/97/18/26/345971826.db2.gz KWXGNXQHJZGCGQ-QMMMGPOBSA-N 1 2 207.277 1.205 20 30 BDEDLO CCCNC(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000569687003 345982442 /nfs/dbraw/zinc/98/24/42/345982442.db2.gz VJMQZDDCFWAYKW-UHFFFAOYSA-N 1 2 245.326 1.830 20 30 BDEDLO C#CC[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000192221648 346075665 /nfs/dbraw/zinc/07/56/65/346075665.db2.gz FJLZTXDTMMVCLD-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000192221648 346075666 /nfs/dbraw/zinc/07/56/66/346075666.db2.gz FJLZTXDTMMVCLD-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000586779341 346100235 /nfs/dbraw/zinc/10/02/35/346100235.db2.gz XZAZGWJUHJUXBH-MEQWQQMJSA-N 1 2 245.388 1.155 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000586779341 346100238 /nfs/dbraw/zinc/10/02/38/346100238.db2.gz XZAZGWJUHJUXBH-MEQWQQMJSA-N 1 2 245.388 1.155 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C)o2)C1=O ZINC000628259163 346259722 /nfs/dbraw/zinc/25/97/22/346259722.db2.gz JIJNEFWRNUCCKM-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C)o2)C1=O ZINC000628259163 346259725 /nfs/dbraw/zinc/25/97/25/346259725.db2.gz JIJNEFWRNUCCKM-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000588985345 346277379 /nfs/dbraw/zinc/27/73/79/346277379.db2.gz MZNOFSPGJGEPKF-AAEUAGOBSA-N 1 2 241.331 1.199 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@](CO)(CCC)C1 ZINC000588985345 346277383 /nfs/dbraw/zinc/27/73/83/346277383.db2.gz MZNOFSPGJGEPKF-AAEUAGOBSA-N 1 2 241.331 1.199 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ncc(Cl)n1C ZINC000282190027 346384145 /nfs/dbraw/zinc/38/41/45/346384145.db2.gz GEEBQOHXJPTVKU-QMMMGPOBSA-N 1 2 226.711 1.855 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCSC ZINC000301052858 346572791 /nfs/dbraw/zinc/57/27/91/346572791.db2.gz WZPBYPMIVSKSHF-VIFPVBQESA-N 1 2 217.334 1.399 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCSC ZINC000301052858 346572794 /nfs/dbraw/zinc/57/27/94/346572794.db2.gz WZPBYPMIVSKSHF-VIFPVBQESA-N 1 2 217.334 1.399 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000589206115 346675926 /nfs/dbraw/zinc/67/59/26/346675926.db2.gz IURMEFIZZAOWGO-SECBINFHSA-N 1 2 249.339 1.330 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000589206115 346675929 /nfs/dbraw/zinc/67/59/29/346675929.db2.gz IURMEFIZZAOWGO-SECBINFHSA-N 1 2 249.339 1.330 20 30 BDEDLO CC(C)n1nccc1C[NH2+]C[C@@H](C)C#N ZINC000380097646 365878156 /nfs/dbraw/zinc/87/81/56/365878156.db2.gz KSMQYJJQIVGEKM-JTQLQIEISA-N 1 2 206.293 1.713 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927691 347455792 /nfs/dbraw/zinc/45/57/92/347455792.db2.gz OGRBSFLVCQGZQJ-GFCCVEGCSA-N 1 2 221.304 1.970 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927691 347455794 /nfs/dbraw/zinc/45/57/94/347455794.db2.gz OGRBSFLVCQGZQJ-GFCCVEGCSA-N 1 2 221.304 1.970 20 30 BDEDLO Cc1cccc(C[NH+]2CCN(CCC#N)CC2)n1 ZINC000590709476 347498910 /nfs/dbraw/zinc/49/89/10/347498910.db2.gz SEEPMCCDDBKOHP-UHFFFAOYSA-N 1 2 244.342 1.421 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000590757345 347506171 /nfs/dbraw/zinc/50/61/71/347506171.db2.gz KFESOTLUJIOYEL-MXWKQRLJSA-N 1 2 227.304 1.071 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000590757345 347506173 /nfs/dbraw/zinc/50/61/73/347506173.db2.gz KFESOTLUJIOYEL-MXWKQRLJSA-N 1 2 227.304 1.071 20 30 BDEDLO CCc1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000591175937 347625022 /nfs/dbraw/zinc/62/50/22/347625022.db2.gz HMFAYKYNWCZKNS-UHFFFAOYSA-N 1 2 218.304 1.813 20 30 BDEDLO C=C[C@H]([NH2+]CCCC1CCOCC1)C(=O)OC ZINC000591374003 347649971 /nfs/dbraw/zinc/64/99/71/347649971.db2.gz GEKWLWDFRPMRTI-LBPRGKRZSA-N 1 2 241.331 1.510 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C(=O)OC ZINC000591376460 347650507 /nfs/dbraw/zinc/65/05/07/347650507.db2.gz JOFNRONSFAYICE-WDEREUQCSA-N 1 2 241.331 1.509 20 30 BDEDLO N#CCC[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000591756312 347691000 /nfs/dbraw/zinc/69/10/00/347691000.db2.gz YOXFOTOQERQNDH-GFCCVEGCSA-N 1 2 235.331 1.423 20 30 BDEDLO Cc1cc(NCCOCC2CCC2)c(C#N)c[nH+]1 ZINC000591823045 347701259 /nfs/dbraw/zinc/70/12/59/347701259.db2.gz GZTDOYXQIGZRFW-UHFFFAOYSA-N 1 2 245.326 1.912 20 30 BDEDLO N#C[C@@H]1CC[C@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000591828022 347702669 /nfs/dbraw/zinc/70/26/69/347702669.db2.gz MCNDAFAWYQZOAY-BDAKNGLRSA-N 1 2 245.286 1.385 20 30 BDEDLO N#C[C@@H]1CC[C@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000591828022 347702671 /nfs/dbraw/zinc/70/26/71/347702671.db2.gz MCNDAFAWYQZOAY-BDAKNGLRSA-N 1 2 245.286 1.385 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CCS1 ZINC000592066667 347726456 /nfs/dbraw/zinc/72/64/56/347726456.db2.gz FOLMUOQJMHRRIR-SNVBAGLBSA-N 1 2 233.340 1.891 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCS1 ZINC000592066667 347726458 /nfs/dbraw/zinc/72/64/58/347726458.db2.gz FOLMUOQJMHRRIR-SNVBAGLBSA-N 1 2 233.340 1.891 20 30 BDEDLO N#CC[N@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000592066730 347726581 /nfs/dbraw/zinc/72/65/81/347726581.db2.gz NCHXGBXAXZDLDR-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CC[N@@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000592066730 347726585 /nfs/dbraw/zinc/72/65/85/347726585.db2.gz NCHXGBXAXZDLDR-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO CC1(O)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592075085 347728906 /nfs/dbraw/zinc/72/89/06/347728906.db2.gz TWCGVTSVYHFHRU-UHFFFAOYSA-N 1 2 231.299 1.300 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)CC[C@H]1O ZINC000592116917 347735819 /nfs/dbraw/zinc/73/58/19/347735819.db2.gz NWVOTFDBDZOAJV-CYBMUJFWSA-N 1 2 245.326 1.546 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)CC[C@H]1O ZINC000592116917 347735823 /nfs/dbraw/zinc/73/58/23/347735823.db2.gz NWVOTFDBDZOAJV-CYBMUJFWSA-N 1 2 245.326 1.546 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000592148323 347740773 /nfs/dbraw/zinc/74/07/73/347740773.db2.gz UDIOFDNSHSQCIB-AWEZNQCLSA-N 1 2 241.294 1.409 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000592148323 347740775 /nfs/dbraw/zinc/74/07/75/347740775.db2.gz UDIOFDNSHSQCIB-AWEZNQCLSA-N 1 2 241.294 1.409 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H](C)CC(F)F)C(=O)OC ZINC000592446028 347780612 /nfs/dbraw/zinc/78/06/12/347780612.db2.gz TYLDJXCJZAMFQM-YUMQZZPRSA-N 1 2 221.247 1.595 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029293 347847312 /nfs/dbraw/zinc/84/73/12/347847312.db2.gz SQCXXCSPOGEIRP-UWVGGRQHSA-N 1 2 249.318 1.382 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029293 347847316 /nfs/dbraw/zinc/84/73/16/347847316.db2.gz SQCXXCSPOGEIRP-UWVGGRQHSA-N 1 2 249.318 1.382 20 30 BDEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)[C@H](C)CO1 ZINC000593061698 347848873 /nfs/dbraw/zinc/84/88/73/347848873.db2.gz LOHBRGQYMYKFCI-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@H](C)CO1 ZINC000593061698 347848878 /nfs/dbraw/zinc/84/88/78/347848878.db2.gz LOHBRGQYMYKFCI-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000593082530 347851693 /nfs/dbraw/zinc/85/16/93/347851693.db2.gz WNCQFGCYOSYNKT-WDEREUQCSA-N 1 2 248.330 1.889 20 30 BDEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000593127893 347864770 /nfs/dbraw/zinc/86/47/70/347864770.db2.gz XJBUFJXIGNLTBE-CYBMUJFWSA-N 1 2 241.294 1.152 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000593127893 347864772 /nfs/dbraw/zinc/86/47/72/347864772.db2.gz XJBUFJXIGNLTBE-CYBMUJFWSA-N 1 2 241.294 1.152 20 30 BDEDLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154762 347866987 /nfs/dbraw/zinc/86/69/87/347866987.db2.gz BLXHHLOFOVPTTE-LOWVWBTDSA-N 1 2 237.347 1.239 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000593452580 347898691 /nfs/dbraw/zinc/89/86/91/347898691.db2.gz WMOLHDBZMRMGLV-VXGBXAGGSA-N 1 2 246.314 1.596 20 30 BDEDLO CC[C@H](C#N)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000593539927 347909477 /nfs/dbraw/zinc/90/94/77/347909477.db2.gz XYIHPBNLHQTJBY-LLVKDONJSA-N 1 2 234.303 1.281 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593557613 347911146 /nfs/dbraw/zinc/91/11/46/347911146.db2.gz TZIPWBNLRXTSQE-GHMZBOCLSA-N 1 2 246.314 1.286 20 30 BDEDLO CCn1nncc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654482 347922279 /nfs/dbraw/zinc/92/22/79/347922279.db2.gz YYUFFQTYPKRCMR-UHFFFAOYSA-N 1 2 233.319 1.472 20 30 BDEDLO N#CCCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000594424552 348051045 /nfs/dbraw/zinc/05/10/45/348051045.db2.gz FSFCFPSPDNYJOE-UHFFFAOYSA-N 1 2 218.260 1.517 20 30 BDEDLO C=CCCSCC[NH2+]Cc1ccn[nH]1 ZINC000594959734 348150159 /nfs/dbraw/zinc/15/01/59/348150159.db2.gz BFFAIWIIVSDWAK-UHFFFAOYSA-N 1 2 211.334 1.809 20 30 BDEDLO C=C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000595462657 348256926 /nfs/dbraw/zinc/25/69/26/348256926.db2.gz RIAPHECMWCYPCB-UHFFFAOYSA-N 1 2 233.315 1.842 20 30 BDEDLO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000595593329 348278381 /nfs/dbraw/zinc/27/83/81/348278381.db2.gz VCPWTDRCQYJXSU-MWLCHTKSSA-N 1 2 204.277 1.534 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000595559424 348280108 /nfs/dbraw/zinc/28/01/08/348280108.db2.gz RTRFGWCLKVQDRR-CYBMUJFWSA-N 1 2 247.298 1.402 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000595559424 348280112 /nfs/dbraw/zinc/28/01/12/348280112.db2.gz RTRFGWCLKVQDRR-CYBMUJFWSA-N 1 2 247.298 1.402 20 30 BDEDLO COC(=O)[C@@](C)(CCF)[NH2+]CCC(C)(C)C#N ZINC000595776845 348338551 /nfs/dbraw/zinc/33/85/51/348338551.db2.gz VQIDPXXUWUEVHN-GFCCVEGCSA-N 1 2 244.310 1.807 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834993 348368072 /nfs/dbraw/zinc/36/80/72/348368072.db2.gz ODYLZFNDYLTVNZ-GVXVVHGQSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834993 348368074 /nfs/dbraw/zinc/36/80/74/348368074.db2.gz ODYLZFNDYLTVNZ-GVXVVHGQSA-N 1 2 237.347 1.525 20 30 BDEDLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835178 348369142 /nfs/dbraw/zinc/36/91/42/348369142.db2.gz PCJIBQSOYVMTJM-WCQYABFASA-N 1 2 237.347 1.479 20 30 BDEDLO CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835178 348369145 /nfs/dbraw/zinc/36/91/45/348369145.db2.gz PCJIBQSOYVMTJM-WCQYABFASA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835553 348369252 /nfs/dbraw/zinc/36/92/52/348369252.db2.gz SFPFAKFOEVYNCS-GFCCVEGCSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)(C)NC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835553 348369255 /nfs/dbraw/zinc/36/92/55/348369255.db2.gz SFPFAKFOEVYNCS-GFCCVEGCSA-N 1 2 223.320 1.137 20 30 BDEDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836184 348369813 /nfs/dbraw/zinc/36/98/13/348369813.db2.gz XFJSRXLBFQHNKD-FZMZJTMJSA-N 1 2 249.358 1.669 20 30 BDEDLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836184 348369816 /nfs/dbraw/zinc/36/98/16/348369816.db2.gz XFJSRXLBFQHNKD-FZMZJTMJSA-N 1 2 249.358 1.669 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836371 348370355 /nfs/dbraw/zinc/37/03/55/348370355.db2.gz YRVBNMGIYNWTAC-WCQYABFASA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836371 348370359 /nfs/dbraw/zinc/37/03/59/348370359.db2.gz YRVBNMGIYNWTAC-WCQYABFASA-N 1 2 237.347 1.527 20 30 BDEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595837164 348371040 /nfs/dbraw/zinc/37/10/40/348371040.db2.gz FBTWVEURLBWWGC-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595837164 348371043 /nfs/dbraw/zinc/37/10/43/348371043.db2.gz FBTWVEURLBWWGC-CYBMUJFWSA-N 1 2 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CC(C)(O)CC/[NH+]=C/c1cccc(O)c1O ZINC000274836182 351584912 /nfs/dbraw/zinc/58/49/12/351584912.db2.gz PATPOAWHQIQNBR-MDWZMJQESA-N 1 2 223.272 1.678 20 30 BDEDLO CCCN(CC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276583074 351635632 /nfs/dbraw/zinc/63/56/32/351635632.db2.gz LXJJZRUXIFHWHU-ONEGZZNKSA-N 1 2 218.260 1.185 20 30 BDEDLO CCCN(CC#N)C(=O)CCc1c[nH+]cn1C ZINC000276632368 351639657 /nfs/dbraw/zinc/63/96/57/351639657.db2.gz TTZZVWWIHNIDDN-UHFFFAOYSA-N 1 2 234.303 1.115 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613305246 363086151 /nfs/dbraw/zinc/08/61/51/363086151.db2.gz PLDIGNRQKZPYBF-GHMZBOCLSA-N 1 2 233.315 1.558 20 30 BDEDLO CC(C)(C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280788045 351860899 /nfs/dbraw/zinc/86/08/99/351860899.db2.gz OORCMJAJMMIFPH-UHFFFAOYSA-N 1 2 228.255 1.823 20 30 BDEDLO Cc1cc(NC(=O)N2CC(C)(C#N)C2)cc[nH+]1 ZINC000281000524 351870537 /nfs/dbraw/zinc/87/05/37/351870537.db2.gz PODCTFGWQGAXAV-UHFFFAOYSA-N 1 2 230.271 1.767 20 30 BDEDLO 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C=CC[N@H+](CCC#N)CCC1OCCO1 ZINC000292256336 352310535 /nfs/dbraw/zinc/31/05/35/352310535.db2.gz RDMLBOHXOQENFL-UHFFFAOYSA-N 1 2 210.277 1.151 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC1OCCO1 ZINC000292256336 352310539 /nfs/dbraw/zinc/31/05/39/352310539.db2.gz RDMLBOHXOQENFL-UHFFFAOYSA-N 1 2 210.277 1.151 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)Cc1ccccc1 ZINC000292314869 352314430 /nfs/dbraw/zinc/31/44/30/352314430.db2.gz VNRXMSVNWNQZBV-OAHLLOKOSA-N 1 2 244.338 1.992 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](O)Cc1ccccc1 ZINC000292314869 352314433 /nfs/dbraw/zinc/31/44/33/352314433.db2.gz VNRXMSVNWNQZBV-OAHLLOKOSA-N 1 2 244.338 1.992 20 30 BDEDLO CC(C)[C@@H]([NH2+]CCC#N)c1nnc2ccccn21 ZINC000411489504 191188287 /nfs/dbraw/zinc/18/82/87/191188287.db2.gz MWDVCJKQBLSVNH-GFCCVEGCSA-N 1 2 243.314 1.930 20 30 BDEDLO CC[C@H](C)[C@H]1CN(CCC#N)CC[N@@H+]1CCC#N ZINC000411403409 191184562 /nfs/dbraw/zinc/18/45/62/191184562.db2.gz UPIRMAWCPBMECE-UONOGXRCSA-N 1 2 248.374 1.846 20 30 BDEDLO CC[C@H](C)[C@H]1CN(CCC#N)CC[N@H+]1CCC#N ZINC000411403409 191184565 /nfs/dbraw/zinc/18/45/65/191184565.db2.gz UPIRMAWCPBMECE-UONOGXRCSA-N 1 2 248.374 1.846 20 30 BDEDLO CN(C)c1noc([C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000411687173 191205045 /nfs/dbraw/zinc/20/50/45/191205045.db2.gz FOJLZPVWHZOCGL-JTQLQIEISA-N 1 2 249.318 1.229 20 30 BDEDLO CN(C)c1noc([C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000411687173 191205048 /nfs/dbraw/zinc/20/50/48/191205048.db2.gz FOJLZPVWHZOCGL-JTQLQIEISA-N 1 2 249.318 1.229 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000411548283 191192952 /nfs/dbraw/zinc/19/29/52/191192952.db2.gz DVQPZLMFZHTQAO-JQWIXIFHSA-N 1 2 236.315 1.359 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000411548283 191192955 /nfs/dbraw/zinc/19/29/55/191192955.db2.gz DVQPZLMFZHTQAO-JQWIXIFHSA-N 1 2 236.315 1.359 20 30 BDEDLO C=CCNC(=O)C[N@@H+](CC)Cc1occc1C ZINC000412024484 191240447 /nfs/dbraw/zinc/24/04/47/191240447.db2.gz CFJQPQZYXPJQRH-UHFFFAOYSA-N 1 2 236.315 1.712 20 30 BDEDLO C=CCNC(=O)C[N@H+](CC)Cc1occc1C ZINC000412024484 191240450 /nfs/dbraw/zinc/24/04/50/191240450.db2.gz CFJQPQZYXPJQRH-UHFFFAOYSA-N 1 2 236.315 1.712 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000151360504 352754988 /nfs/dbraw/zinc/75/49/88/352754988.db2.gz BHAIKYMIIDBWQA-GHMZBOCLSA-N 1 2 243.347 1.491 20 30 BDEDLO N#CC1(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000334197923 352790017 /nfs/dbraw/zinc/79/00/17/352790017.db2.gz LGMIPZFKNLMMPC-VIFPVBQESA-N 1 2 234.221 1.289 20 30 BDEDLO N#CC1(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000334197923 352790020 /nfs/dbraw/zinc/79/00/20/352790020.db2.gz LGMIPZFKNLMMPC-VIFPVBQESA-N 1 2 234.221 1.289 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000334417584 353101319 /nfs/dbraw/zinc/10/13/19/353101319.db2.gz OWKKNWRYRQAQBE-UWVGGRQHSA-N 1 2 232.287 1.623 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000045915694 353141842 /nfs/dbraw/zinc/14/18/42/353141842.db2.gz MOHNJJVMNILSQS-UHFFFAOYSA-N 1 2 202.257 1.190 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000045915694 353141846 /nfs/dbraw/zinc/14/18/46/353141846.db2.gz MOHNJJVMNILSQS-UHFFFAOYSA-N 1 2 202.257 1.190 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000051920108 353180814 /nfs/dbraw/zinc/18/08/14/353180814.db2.gz KRBWXSMDKHBQIM-UHFFFAOYSA-N 1 2 222.332 1.343 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000051920108 353180816 /nfs/dbraw/zinc/18/08/16/353180816.db2.gz KRBWXSMDKHBQIM-UHFFFAOYSA-N 1 2 222.332 1.343 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000052187696 353185304 /nfs/dbraw/zinc/18/53/04/353185304.db2.gz OVDOZSBTWCVFPS-UHFFFAOYSA-N 1 2 225.295 1.937 20 30 BDEDLO C#CC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000052187696 353185307 /nfs/dbraw/zinc/18/53/07/353185307.db2.gz OVDOZSBTWCVFPS-UHFFFAOYSA-N 1 2 225.295 1.937 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330886600 353191911 /nfs/dbraw/zinc/19/19/11/353191911.db2.gz RVJZEMSFHKVLTC-MNOVXSKESA-N 1 2 246.314 1.254 20 30 BDEDLO C=C[C@H](C)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330929728 353206516 /nfs/dbraw/zinc/20/65/16/353206516.db2.gz NWEFUOJHHIJSIC-JTQLQIEISA-N 1 2 248.330 1.798 20 30 BDEDLO CN(CCC#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000330986733 353209508 /nfs/dbraw/zinc/20/95/08/353209508.db2.gz WYYGWSDFTXHWHZ-UHFFFAOYSA-N 1 2 220.276 1.059 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)on1 ZINC000331182160 353227593 /nfs/dbraw/zinc/22/75/93/353227593.db2.gz XOGUINDOSLYEDI-LLVKDONJSA-N 1 2 249.314 1.384 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)on1 ZINC000331182160 353227596 /nfs/dbraw/zinc/22/75/96/353227596.db2.gz XOGUINDOSLYEDI-LLVKDONJSA-N 1 2 249.314 1.384 20 30 BDEDLO C=CCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000336767607 353275211 /nfs/dbraw/zinc/27/52/11/353275211.db2.gz PUNPZIKSCNBMBL-UHFFFAOYSA-N 1 2 221.308 1.046 20 30 BDEDLO C=CCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000336767607 353275214 /nfs/dbraw/zinc/27/52/14/353275214.db2.gz PUNPZIKSCNBMBL-UHFFFAOYSA-N 1 2 221.308 1.046 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000128120830 353278324 /nfs/dbraw/zinc/27/83/24/353278324.db2.gz MSDQHHFMLYWYJQ-LLVKDONJSA-N 1 2 233.315 1.377 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000128120830 353278326 /nfs/dbraw/zinc/27/83/26/353278326.db2.gz MSDQHHFMLYWYJQ-LLVKDONJSA-N 1 2 233.315 1.377 20 30 BDEDLO N#Cc1cc(NCCn2cc[nH+]c2)ccn1 ZINC000061811930 188258918 /nfs/dbraw/zinc/25/89/18/188258918.db2.gz AWNWLCVBCPARIM-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO C=C(C)CN(CC)C(=O)CCc1c[nH+]cn1C ZINC000276538811 188265636 /nfs/dbraw/zinc/26/56/36/188265636.db2.gz FXWOGLSHOWAOKT-UHFFFAOYSA-N 1 2 235.331 1.777 20 30 BDEDLO C=C(Br)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000088359143 188302085 /nfs/dbraw/zinc/30/20/85/188302085.db2.gz IVVCMBGVXIOJQT-MRVPVSSYSA-N 1 2 248.120 1.390 20 30 BDEDLO C=C(Br)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000088359143 188302086 /nfs/dbraw/zinc/30/20/86/188302086.db2.gz IVVCMBGVXIOJQT-MRVPVSSYSA-N 1 2 248.120 1.390 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)nc1 ZINC000076185720 353332149 /nfs/dbraw/zinc/33/21/49/353332149.db2.gz GXTINXVHBLVOME-UHFFFAOYSA-N 1 2 218.687 1.803 20 30 BDEDLO Cc1cc(N2CCC[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000398977329 353401070 /nfs/dbraw/zinc/40/10/70/353401070.db2.gz ZLUKGUJODYVXDY-LLVKDONJSA-N 1 2 231.299 1.470 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c(O)c1 ZINC000093461448 353486930 /nfs/dbraw/zinc/48/69/30/353486930.db2.gz PJNKJENXTQKUDO-UHFFFAOYSA-N 1 2 229.279 1.469 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000134905234 353515758 /nfs/dbraw/zinc/51/57/58/353515758.db2.gz ZPPRMVYMXYAZHQ-ZDUSSCGKSA-N 1 2 235.331 1.992 20 30 BDEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000191959676 353523222 /nfs/dbraw/zinc/52/32/22/353523222.db2.gz LYBSMDNQUVKBMS-CQSZACIVSA-N 1 2 242.322 1.249 20 30 BDEDLO CNC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000191959676 353523225 /nfs/dbraw/zinc/52/32/25/353523225.db2.gz LYBSMDNQUVKBMS-CQSZACIVSA-N 1 2 242.322 1.249 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000192238221 353537481 /nfs/dbraw/zinc/53/74/81/353537481.db2.gz ZTWWUUFMEKPVBQ-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000192238221 353537483 /nfs/dbraw/zinc/53/74/83/353537483.db2.gz ZTWWUUFMEKPVBQ-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO C=CCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287726429 353584509 /nfs/dbraw/zinc/58/45/09/353584509.db2.gz FDCFEZCMSCERHD-UHFFFAOYSA-N 1 2 221.304 1.815 20 30 BDEDLO C#CC[N@@H+](Cc1cnccc1OC)C1CC1 ZINC000287911300 353593633 /nfs/dbraw/zinc/59/36/33/353593633.db2.gz VMFJUKDODPELOP-UHFFFAOYSA-N 1 2 216.284 1.688 20 30 BDEDLO C#CC[N@H+](Cc1cnccc1OC)C1CC1 ZINC000287911300 353593635 /nfs/dbraw/zinc/59/36/35/353593635.db2.gz VMFJUKDODPELOP-UHFFFAOYSA-N 1 2 216.284 1.688 20 30 BDEDLO C=CC[N@@H+](Cc1oncc1C(=O)OC)C1CC1 ZINC000285821191 353551626 /nfs/dbraw/zinc/55/16/26/353551626.db2.gz ZUFDGDLUBKDCJF-UHFFFAOYSA-N 1 2 236.271 1.612 20 30 BDEDLO C=CC[N@H+](Cc1oncc1C(=O)OC)C1CC1 ZINC000285821191 353551629 /nfs/dbraw/zinc/55/16/29/353551629.db2.gz ZUFDGDLUBKDCJF-UHFFFAOYSA-N 1 2 236.271 1.612 20 30 BDEDLO CC#CCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000165739625 353602167 /nfs/dbraw/zinc/60/21/67/353602167.db2.gz MJXNWVGBHXSUCQ-NSHDSACASA-N 1 2 243.310 1.852 20 30 BDEDLO C#CCCN1CC[NH+](Cc2scnc2C)CC1 ZINC000289292185 353621688 /nfs/dbraw/zinc/62/16/88/353621688.db2.gz BFFHRWIKMPHAEQ-UHFFFAOYSA-N 1 2 249.383 1.592 20 30 BDEDLO C=CC[N@@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000289697559 353629180 /nfs/dbraw/zinc/62/91/80/353629180.db2.gz NKRVKANBRLVICP-UHFFFAOYSA-N 1 2 240.328 1.806 20 30 BDEDLO C=CC[N@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000289697559 353629184 /nfs/dbraw/zinc/62/91/84/353629184.db2.gz NKRVKANBRLVICP-UHFFFAOYSA-N 1 2 240.328 1.806 20 30 BDEDLO C#CC[N@@H+](Cc1c(C)cnn1C)C1CC1 ZINC000289743684 353634233 /nfs/dbraw/zinc/63/42/33/353634233.db2.gz PLSWABBGIKZUJV-UHFFFAOYSA-N 1 2 203.289 1.326 20 30 BDEDLO C#CC[N@H+](Cc1c(C)cnn1C)C1CC1 ZINC000289743684 353634236 /nfs/dbraw/zinc/63/42/36/353634236.db2.gz PLSWABBGIKZUJV-UHFFFAOYSA-N 1 2 203.289 1.326 20 30 BDEDLO C=C[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000290329425 353660677 /nfs/dbraw/zinc/66/06/77/353660677.db2.gz ISVJKGZCFSAKJC-SNVBAGLBSA-N 1 2 235.287 1.367 20 30 BDEDLO C=C[C@@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000290425659 353663661 /nfs/dbraw/zinc/66/36/61/353663661.db2.gz QILXPFDCXRKRFA-VIFPVBQESA-N 1 2 221.260 1.058 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)C(C)(C)C#N ZINC000194739994 353692445 /nfs/dbraw/zinc/69/24/45/353692445.db2.gz IHYGTLPDSBJLAG-UHFFFAOYSA-N 1 2 219.244 1.578 20 30 BDEDLO C=CCOCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000292895337 353727836 /nfs/dbraw/zinc/72/78/36/353727836.db2.gz VMUKJWWHHADFPL-NSHDSACASA-N 1 2 229.320 1.461 20 30 BDEDLO C=CCOCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000292895337 353727839 /nfs/dbraw/zinc/72/78/39/353727839.db2.gz VMUKJWWHHADFPL-NSHDSACASA-N 1 2 229.320 1.461 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000292910262 353728710 /nfs/dbraw/zinc/72/87/10/353728710.db2.gz RPHZJBVCRBIDJP-UHFFFAOYSA-N 1 2 208.309 1.936 20 30 BDEDLO C=CCC[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000292910262 353728712 /nfs/dbraw/zinc/72/87/12/353728712.db2.gz RPHZJBVCRBIDJP-UHFFFAOYSA-N 1 2 208.309 1.936 20 30 BDEDLO C=CCC(F)(F)C(=O)NCc1[nH+]ccn1C ZINC000293027549 353736408 /nfs/dbraw/zinc/73/64/08/353736408.db2.gz IQMRJMRHENSJEN-UHFFFAOYSA-N 1 2 229.230 1.248 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295120234 353801519 /nfs/dbraw/zinc/80/15/19/353801519.db2.gz IRKRAMHNBCUXMG-NSHDSACASA-N 1 2 233.315 1.204 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295120234 353801523 /nfs/dbraw/zinc/80/15/23/353801523.db2.gz IRKRAMHNBCUXMG-NSHDSACASA-N 1 2 233.315 1.204 20 30 BDEDLO C[C@@H]1C(=O)NCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000334558172 354005648 /nfs/dbraw/zinc/00/56/48/354005648.db2.gz XOELVQJREYLDAM-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000334558172 354005650 /nfs/dbraw/zinc/00/56/50/354005650.db2.gz XOELVQJREYLDAM-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000301012530 363294187 /nfs/dbraw/zinc/29/41/87/363294187.db2.gz GROIFLXRGSZRHO-WDEREUQCSA-N 1 2 209.289 1.660 20 30 BDEDLO N#CCCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000053440989 363288728 /nfs/dbraw/zinc/28/87/28/363288728.db2.gz QZQSFUJFQPTVCY-UHFFFAOYSA-N 1 2 233.315 1.701 20 30 BDEDLO N#CCCCN1CC[NH+](Cc2ccco2)CC1 ZINC000053440989 363288736 /nfs/dbraw/zinc/28/87/36/363288736.db2.gz QZQSFUJFQPTVCY-UHFFFAOYSA-N 1 2 233.315 1.701 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OC ZINC000301018608 363296631 /nfs/dbraw/zinc/29/66/31/363296631.db2.gz IXPWDCMNOINSGO-UWVGGRQHSA-N 1 2 211.305 1.882 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)OC ZINC000301017678 363296709 /nfs/dbraw/zinc/29/67/09/363296709.db2.gz IKTIXBWNZLELJH-VWYCJHECSA-N 1 2 211.305 1.882 20 30 BDEDLO N#Cc1cc(NCCNc2cccc[nH+]2)ccn1 ZINC000341382568 181081403 /nfs/dbraw/zinc/08/14/03/181081403.db2.gz QMIXCPSZMVOLGJ-UHFFFAOYSA-N 1 2 239.282 1.294 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](O)C1 ZINC000082865052 181113942 /nfs/dbraw/zinc/11/39/42/181113942.db2.gz DYLQQFCWJSYJNN-LBPRGKRZSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000082865052 181113944 /nfs/dbraw/zinc/11/39/44/181113944.db2.gz DYLQQFCWJSYJNN-LBPRGKRZSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000336479245 181114025 /nfs/dbraw/zinc/11/40/25/181114025.db2.gz GLDFNVXVFXWABJ-ZDUSSCGKSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000336479245 181114027 /nfs/dbraw/zinc/11/40/27/181114027.db2.gz GLDFNVXVFXWABJ-ZDUSSCGKSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1cccc(C#N)c1NCCn1cc[nH+]c1 ZINC000302845726 181134442 /nfs/dbraw/zinc/13/44/42/181134442.db2.gz NWDMYLLMKXGNCC-UHFFFAOYSA-N 1 2 237.266 1.739 20 30 BDEDLO N#Cc1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000130716489 181131827 /nfs/dbraw/zinc/13/18/27/181131827.db2.gz AVDPFTRGIIRNEY-UHFFFAOYSA-N 1 2 214.184 1.652 20 30 BDEDLO N#Cc1cccc(C[NH2+]Cc2c[nH]cn2)c1 ZINC000054765012 181137537 /nfs/dbraw/zinc/13/75/37/181137537.db2.gz HLLHHCWJXIAOQA-UHFFFAOYSA-N 1 2 212.256 1.571 20 30 BDEDLO Cc1[nH+]c2cc(NC(=O)[C@@H](C)C#N)ccc2n1C ZINC000334801408 354557087 /nfs/dbraw/zinc/55/70/87/354557087.db2.gz AWMGCPVNSALRRC-QMMMGPOBSA-N 1 2 242.282 1.980 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286991120 181145175 /nfs/dbraw/zinc/14/51/75/181145175.db2.gz QLNWXTAKHQDSMC-AWEZNQCLSA-N 1 2 248.301 1.855 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286991120 181145177 /nfs/dbraw/zinc/14/51/77/181145177.db2.gz QLNWXTAKHQDSMC-AWEZNQCLSA-N 1 2 248.301 1.855 20 30 BDEDLO C=CCOCCCC(=O)Nc1cc[nH+]cc1O ZINC000345358092 354629433 /nfs/dbraw/zinc/62/94/33/354629433.db2.gz HWQZHMKAEPMJNT-UHFFFAOYSA-N 1 2 236.271 1.130 20 30 BDEDLO C[C@H](C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346019656 354828014 /nfs/dbraw/zinc/82/80/14/354828014.db2.gz PNDZWADYPRNZPK-PWSUYJOCSA-N 1 2 245.282 1.221 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(C)CCCC1)C(=O)OC ZINC000301050760 363395474 /nfs/dbraw/zinc/39/54/74/363395474.db2.gz SRYFANKURBCTNZ-SNVBAGLBSA-N 1 2 211.305 1.884 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@H]1CCCCO1)C(=O)OC ZINC000301052410 363396301 /nfs/dbraw/zinc/39/63/01/363396301.db2.gz WCNNVLMDIKRNNZ-GHMZBOCLSA-N 1 2 227.304 1.263 20 30 BDEDLO N#Cc1cscc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000340143917 181167393 /nfs/dbraw/zinc/16/73/93/181167393.db2.gz HHEVNHAMOYDOKM-UHFFFAOYSA-N 1 2 246.295 1.315 20 30 BDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H](C)C#N ZINC000346880339 355143121 /nfs/dbraw/zinc/14/31/21/355143121.db2.gz NYJUGDLJPHHCOG-NSHDSACASA-N 1 2 248.330 1.030 20 30 BDEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H](C)C#N ZINC000346880339 355143124 /nfs/dbraw/zinc/14/31/24/355143124.db2.gz NYJUGDLJPHHCOG-NSHDSACASA-N 1 2 248.330 1.030 20 30 BDEDLO CC#CCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000346902015 355149327 /nfs/dbraw/zinc/14/93/27/355149327.db2.gz VIYOPYPVWCLYJH-UHFFFAOYSA-N 1 2 244.298 1.740 20 30 BDEDLO C[C@H](c1nncn1C)[NH+]1CCC(C)(C#N)CC1 ZINC000346933728 355182198 /nfs/dbraw/zinc/18/21/98/355182198.db2.gz BKMJDVMEGULMHA-SNVBAGLBSA-N 1 2 233.319 1.502 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)OC(C)(C)C ZINC000191145930 355330594 /nfs/dbraw/zinc/33/05/94/355330594.db2.gz BHWKDDLJXGXHRB-LLVKDONJSA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)OC(C)(C)C ZINC000191145930 355330597 /nfs/dbraw/zinc/33/05/97/355330597.db2.gz BHWKDDLJXGXHRB-LLVKDONJSA-N 1 2 243.347 1.851 20 30 BDEDLO C=C[C@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000350652169 355737017 /nfs/dbraw/zinc/73/70/17/355737017.db2.gz HPWPMNMOLCYVCC-SNVBAGLBSA-N 1 2 235.287 1.367 20 30 BDEDLO C=CC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749977 355972384 /nfs/dbraw/zinc/97/23/84/355972384.db2.gz PACYZIMBMVNDCW-SFYZADRCSA-N 1 2 209.211 1.824 20 30 BDEDLO C=CC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749977 355972389 /nfs/dbraw/zinc/97/23/89/355972389.db2.gz PACYZIMBMVNDCW-SFYZADRCSA-N 1 2 209.211 1.824 20 30 BDEDLO [O-]C(NCC1CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330106534 356170965 /nfs/dbraw/zinc/17/09/65/356170965.db2.gz LAGVCNOJULTWFE-JTQLQIEISA-N 1 2 234.303 1.112 20 30 BDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CC1 ZINC000330106534 356170967 /nfs/dbraw/zinc/17/09/67/356170967.db2.gz LAGVCNOJULTWFE-JTQLQIEISA-N 1 2 234.303 1.112 20 30 BDEDLO C=CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000617610901 356178036 /nfs/dbraw/zinc/17/80/36/356178036.db2.gz DJUHJSNASAEANT-SECBINFHSA-N 1 2 207.277 1.281 20 30 BDEDLO C=CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000617610901 356178039 /nfs/dbraw/zinc/17/80/39/356178039.db2.gz DJUHJSNASAEANT-SECBINFHSA-N 1 2 207.277 1.281 20 30 BDEDLO C=CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000617615050 356184916 /nfs/dbraw/zinc/18/49/16/356184916.db2.gz ZMRUSLRSRCESLA-SNVBAGLBSA-N 1 2 219.288 1.138 20 30 BDEDLO C=CCCNC(=O)CCc1c[nH+]cn1C ZINC000617617278 356193287 /nfs/dbraw/zinc/19/32/87/356193287.db2.gz AAKDZDGQVUSLJI-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC1(C#N)CCC1 ZINC000331924017 356206106 /nfs/dbraw/zinc/20/61/06/356206106.db2.gz CXMRABAZKAUAPB-LBPRGKRZSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC1(C#N)CCC1 ZINC000331924017 356206107 /nfs/dbraw/zinc/20/61/07/356206107.db2.gz CXMRABAZKAUAPB-LBPRGKRZSA-N 1 2 249.358 1.527 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)ccn1 ZINC000049502448 356469962 /nfs/dbraw/zinc/46/99/62/356469962.db2.gz HWFIWADUHXEFJK-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984273 192290865 /nfs/dbraw/zinc/29/08/65/192290865.db2.gz FEODVVFNHHEOCV-SNVBAGLBSA-N 1 2 221.304 1.190 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984273 192290868 /nfs/dbraw/zinc/29/08/68/192290868.db2.gz FEODVVFNHHEOCV-SNVBAGLBSA-N 1 2 221.304 1.190 20 30 BDEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)ccn1 ZINC000352491493 134146862 /nfs/dbraw/zinc/14/68/62/134146862.db2.gz QNJOUQXKGBCZRP-UHFFFAOYSA-N 1 2 249.289 1.918 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1nc(C(=O)OC)co1 ZINC000450247766 202107648 /nfs/dbraw/zinc/10/76/48/202107648.db2.gz VFTMTJVJWXXFFQ-UHFFFAOYSA-N 1 2 238.287 1.859 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nc(C(=O)OC)co1 ZINC000450247766 202107650 /nfs/dbraw/zinc/10/76/50/202107650.db2.gz VFTMTJVJWXXFFQ-UHFFFAOYSA-N 1 2 238.287 1.859 20 30 BDEDLO CC(C)C[N@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450253437 202110119 /nfs/dbraw/zinc/11/01/19/202110119.db2.gz ODPXOXNIBQHDPR-UHFFFAOYSA-N 1 2 223.320 1.124 20 30 BDEDLO CC(C)C[N@@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450253437 202110122 /nfs/dbraw/zinc/11/01/22/202110122.db2.gz ODPXOXNIBQHDPR-UHFFFAOYSA-N 1 2 223.320 1.124 20 30 BDEDLO C[C@@H]1C[C@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000352714216 134151593 /nfs/dbraw/zinc/15/15/93/134151593.db2.gz BCRKJNYBMPQXTB-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1C[C@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000352714216 134151594 /nfs/dbraw/zinc/15/15/94/134151594.db2.gz BCRKJNYBMPQXTB-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H](C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610016005 356691172 /nfs/dbraw/zinc/69/11/72/356691172.db2.gz KULIUOJVNBMEHS-QMMMGPOBSA-N 1 2 214.228 1.432 20 30 BDEDLO C[C@H](C[NH+]1CC(O)(CC#N)C1)c1ccc(F)cc1 ZINC000354917772 134170852 /nfs/dbraw/zinc/17/08/52/134170852.db2.gz HUPKWLIHXPGGNN-LLVKDONJSA-N 1 2 248.301 1.890 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000088751206 356807513 /nfs/dbraw/zinc/80/75/13/356807513.db2.gz KBYJJZJRYGWPMD-UHFFFAOYSA-N 1 2 220.276 1.356 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000088751206 356807518 /nfs/dbraw/zinc/80/75/18/356807518.db2.gz KBYJJZJRYGWPMD-UHFFFAOYSA-N 1 2 220.276 1.356 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639844535 356841117 /nfs/dbraw/zinc/84/11/17/356841117.db2.gz DJULSDPKDMHVSV-GFCCVEGCSA-N 1 2 231.299 1.263 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639844535 356841120 /nfs/dbraw/zinc/84/11/20/356841120.db2.gz DJULSDPKDMHVSV-GFCCVEGCSA-N 1 2 231.299 1.263 20 30 BDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000355742728 134175088 /nfs/dbraw/zinc/17/50/88/134175088.db2.gz WOFXBSGBIJXQOO-CABZTGNLSA-N 1 2 237.303 1.304 20 30 BDEDLO CCCCOC[C@@H](O)C[N@H+](C)CCC#N ZINC000193243800 356896288 /nfs/dbraw/zinc/89/62/88/356896288.db2.gz LJUNJBOXFNDJQW-NSHDSACASA-N 1 2 214.309 1.009 20 30 BDEDLO CCCCOC[C@@H](O)C[N@@H+](C)CCC#N ZINC000193243800 356896292 /nfs/dbraw/zinc/89/62/92/356896292.db2.gz LJUNJBOXFNDJQW-NSHDSACASA-N 1 2 214.309 1.009 20 30 BDEDLO N#Cc1cnccc1NCCCn1cc[nH+]c1 ZINC000399513776 356963924 /nfs/dbraw/zinc/96/39/24/356963924.db2.gz MIPUXNPQOJHQRR-UHFFFAOYSA-N 1 2 227.271 1.074 20 30 BDEDLO C=CC[N@@H+](CC(=C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000358617044 134190707 /nfs/dbraw/zinc/19/07/07/134190707.db2.gz RKDQFTHHJDHGKE-GFCCVEGCSA-N 1 2 243.372 1.628 20 30 BDEDLO C=CC[N@H+](CC(=C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000358617044 134190708 /nfs/dbraw/zinc/19/07/08/134190708.db2.gz RKDQFTHHJDHGKE-GFCCVEGCSA-N 1 2 243.372 1.628 20 30 BDEDLO CCOCCC[N@H+](CC#N)C[C@@H](C)C(=O)OC ZINC000114730236 134194384 /nfs/dbraw/zinc/19/43/84/134194384.db2.gz XGGNBMASNYXARQ-LLVKDONJSA-N 1 2 242.319 1.048 20 30 BDEDLO CCOCCC[N@@H+](CC#N)C[C@@H](C)C(=O)OC ZINC000114730236 134194385 /nfs/dbraw/zinc/19/43/85/134194385.db2.gz XGGNBMASNYXARQ-LLVKDONJSA-N 1 2 242.319 1.048 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)CC1CC1)C(=O)OC ZINC000361114192 134203475 /nfs/dbraw/zinc/20/34/75/134203475.db2.gz RLDJWEHCZGNBMZ-CMPLNLGQSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)OC ZINC000361115387 134203534 /nfs/dbraw/zinc/20/35/34/134203534.db2.gz XDXIGOKYTLBXRY-SRVKXCTJSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nnc(CC)o1 ZINC000189422801 357640535 /nfs/dbraw/zinc/64/05/35/357640535.db2.gz XKMBMKVOZUQVDQ-UHFFFAOYSA-N 1 2 225.292 1.266 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nnc(CC)o1 ZINC000189422801 357640538 /nfs/dbraw/zinc/64/05/38/357640538.db2.gz XKMBMKVOZUQVDQ-UHFFFAOYSA-N 1 2 225.292 1.266 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](C(N)=O)c1ccccc1 ZINC000191129553 357752811 /nfs/dbraw/zinc/75/28/11/357752811.db2.gz YQLCYIPIPMVLHX-ZDUSSCGKSA-N 1 2 248.326 1.347 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](C(N)=O)c1ccccc1 ZINC000191129553 357752815 /nfs/dbraw/zinc/75/28/15/357752815.db2.gz YQLCYIPIPMVLHX-ZDUSSCGKSA-N 1 2 248.326 1.347 20 30 BDEDLO N#CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020200057 134223653 /nfs/dbraw/zinc/22/36/53/134223653.db2.gz QJEVKVVNOIDBPL-UHFFFAOYSA-N 1 2 205.217 1.598 20 30 BDEDLO N#CCCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121247742 134232548 /nfs/dbraw/zinc/23/25/48/134232548.db2.gz PEYIIULMBGWHNF-GFCCVEGCSA-N 1 2 220.272 1.957 20 30 BDEDLO N#CCCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121247742 134232547 /nfs/dbraw/zinc/23/25/47/134232547.db2.gz PEYIIULMBGWHNF-GFCCVEGCSA-N 1 2 220.272 1.957 20 30 BDEDLO CCn1cc[nH+]c1CNc1ncccc1C#N ZINC000385402565 357929461 /nfs/dbraw/zinc/92/94/61/357929461.db2.gz WTHXUIBNMNLESH-UHFFFAOYSA-N 1 2 227.271 1.782 20 30 BDEDLO N#CCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000378432963 134245932 /nfs/dbraw/zinc/24/59/32/134245932.db2.gz ISLPVVNFFPVIFZ-JTQLQIEISA-N 1 2 204.277 1.850 20 30 BDEDLO C[C@H](CC(=O)Nc1n[nH]cc1C#N)n1cc[nH+]c1 ZINC000610620355 358028848 /nfs/dbraw/zinc/02/88/48/358028848.db2.gz RRDOWUXIMWYSKH-MRVPVSSYSA-N 1 2 244.258 1.068 20 30 BDEDLO C=CCOCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000584728545 358167386 /nfs/dbraw/zinc/16/73/86/358167386.db2.gz OTYOTFYHKPTLSF-VIFPVBQESA-N 1 2 225.292 1.573 20 30 BDEDLO C=CCOCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000584728545 358167387 /nfs/dbraw/zinc/16/73/87/358167387.db2.gz OTYOTFYHKPTLSF-VIFPVBQESA-N 1 2 225.292 1.573 20 30 BDEDLO Cc1cnn(CC[N@H+](CC#N)C2CCCC2)c1 ZINC000310269002 358443646 /nfs/dbraw/zinc/44/36/46/358443646.db2.gz ORKPEKFECMZCIL-UHFFFAOYSA-N 1 2 232.331 1.960 20 30 BDEDLO Cc1cnn(CC[N@@H+](CC#N)C2CCCC2)c1 ZINC000310269002 358443648 /nfs/dbraw/zinc/44/36/48/358443648.db2.gz ORKPEKFECMZCIL-UHFFFAOYSA-N 1 2 232.331 1.960 20 30 BDEDLO CCCCNC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000042323929 358521385 /nfs/dbraw/zinc/52/13/85/358521385.db2.gz DZMUPLBKRGIEJU-LLVKDONJSA-N 1 2 225.336 1.384 20 30 BDEDLO CCCCNC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000042323929 358521386 /nfs/dbraw/zinc/52/13/86/358521386.db2.gz DZMUPLBKRGIEJU-LLVKDONJSA-N 1 2 225.336 1.384 20 30 BDEDLO Cc1cc2[nH+]cn(CC(=O)NCC#N)c2cc1C ZINC000128319365 358574530 /nfs/dbraw/zinc/57/45/30/358574530.db2.gz IKANGZMYEDJLEO-UHFFFAOYSA-N 1 2 242.282 1.293 20 30 BDEDLO CC[N@@H+](CC(=O)N1CCCC1)C[C@H](C)C#N ZINC000042449591 358523628 /nfs/dbraw/zinc/52/36/28/358523628.db2.gz OHWAEMFBEGOSGG-LLVKDONJSA-N 1 2 223.320 1.090 20 30 BDEDLO CC[N@H+](CC(=O)N1CCCC1)C[C@H](C)C#N ZINC000042449591 358523631 /nfs/dbraw/zinc/52/36/31/358523631.db2.gz OHWAEMFBEGOSGG-LLVKDONJSA-N 1 2 223.320 1.090 20 30 BDEDLO C[C@@H](C#N)C[N@H+](CCn1ccccc1=O)C1CC1 ZINC000611091075 358624074 /nfs/dbraw/zinc/62/40/74/358624074.db2.gz BKHTXOFXYHJXAH-LBPRGKRZSA-N 1 2 245.326 1.472 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](CCn1ccccc1=O)C1CC1 ZINC000611091075 358624076 /nfs/dbraw/zinc/62/40/76/358624076.db2.gz BKHTXOFXYHJXAH-LBPRGKRZSA-N 1 2 245.326 1.472 20 30 BDEDLO N#C[C@@H]1COCCN1Cc1cn2ccccc2[nH+]1 ZINC000177111102 134295683 /nfs/dbraw/zinc/29/56/83/134295683.db2.gz MTKOENYNRJPHFI-GFCCVEGCSA-N 1 2 242.282 1.059 20 30 BDEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC#N ZINC000135590129 358845609 /nfs/dbraw/zinc/84/56/09/358845609.db2.gz GHJGAMQODFTCBM-NSHDSACASA-N 1 2 218.304 1.643 20 30 BDEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCC#N ZINC000135590129 358845610 /nfs/dbraw/zinc/84/56/10/358845610.db2.gz GHJGAMQODFTCBM-NSHDSACASA-N 1 2 218.304 1.643 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172554 358855020 /nfs/dbraw/zinc/85/50/20/358855020.db2.gz CZOAIFOMOUCYIE-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172554 358855025 /nfs/dbraw/zinc/85/50/25/358855025.db2.gz CZOAIFOMOUCYIE-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000072980320 359094441 /nfs/dbraw/zinc/09/44/41/359094441.db2.gz WLHLYBCRKCBSSL-GFCCVEGCSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000072980320 359094444 /nfs/dbraw/zinc/09/44/44/359094444.db2.gz WLHLYBCRKCBSSL-GFCCVEGCSA-N 1 2 240.347 1.036 20 30 BDEDLO COCC#CC[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000611194700 359119409 /nfs/dbraw/zinc/11/94/09/359119409.db2.gz AJXGLGFPDKWFHI-UHFFFAOYSA-N 1 2 239.315 1.054 20 30 BDEDLO COCC#CC[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000611194700 359119413 /nfs/dbraw/zinc/11/94/13/359119413.db2.gz AJXGLGFPDKWFHI-UHFFFAOYSA-N 1 2 239.315 1.054 20 30 BDEDLO C[C@@H]1CCN(CC#N)C[C@H]1n1cc[nH+]c1 ZINC000246873212 359171261 /nfs/dbraw/zinc/17/12/61/359171261.db2.gz AYUWMGVZQWBESC-GHMZBOCLSA-N 1 2 204.277 1.290 20 30 BDEDLO C[C@H]1CCN(CC#N)C[C@H]1n1cc[nH+]c1 ZINC000246873232 359171476 /nfs/dbraw/zinc/17/14/76/359171476.db2.gz AYUWMGVZQWBESC-WDEREUQCSA-N 1 2 204.277 1.290 20 30 BDEDLO C[C@@H](C#N)C[N@H+](Cc1cn[nH]c1)C1CC1 ZINC000611276025 359288564 /nfs/dbraw/zinc/28/85/64/359288564.db2.gz ATSXCYBJPGFFFY-VIFPVBQESA-N 1 2 204.277 1.534 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](Cc1cn[nH]c1)C1CC1 ZINC000611276025 359288565 /nfs/dbraw/zinc/28/85/65/359288565.db2.gz ATSXCYBJPGFFFY-VIFPVBQESA-N 1 2 204.277 1.534 20 30 BDEDLO Cc1cnc([C@@H](C)[NH+]2CCN(CCC#N)CC2)o1 ZINC000611302827 359306244 /nfs/dbraw/zinc/30/62/44/359306244.db2.gz HWEUYXUATBGBLJ-GFCCVEGCSA-N 1 2 248.330 1.575 20 30 BDEDLO Cc1cccc(CC[N@H+](C)CCC#N)n1 ZINC000399726036 359652832 /nfs/dbraw/zinc/65/28/32/359652832.db2.gz OEQCGSWUYYFRAX-UHFFFAOYSA-N 1 2 203.289 1.778 20 30 BDEDLO Cc1cccc(CC[N@@H+](C)CCC#N)n1 ZINC000399726036 359652834 /nfs/dbraw/zinc/65/28/34/359652834.db2.gz OEQCGSWUYYFRAX-UHFFFAOYSA-N 1 2 203.289 1.778 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155577 359710090 /nfs/dbraw/zinc/71/00/90/359710090.db2.gz WYNLGJUHAFCQNC-ZDUSSCGKSA-N 1 2 237.347 1.480 20 30 BDEDLO CCN(CC)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155577 359710092 /nfs/dbraw/zinc/71/00/92/359710092.db2.gz WYNLGJUHAFCQNC-ZDUSSCGKSA-N 1 2 237.347 1.480 20 30 BDEDLO CN(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612165415 359719589 /nfs/dbraw/zinc/71/95/89/359719589.db2.gz LHHGZCWQBFABBI-CYBMUJFWSA-N 1 2 235.331 1.233 20 30 BDEDLO CN(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612165415 359719592 /nfs/dbraw/zinc/71/95/92/359719592.db2.gz LHHGZCWQBFABBI-CYBMUJFWSA-N 1 2 235.331 1.233 20 30 BDEDLO CN1CCC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166348 359721399 /nfs/dbraw/zinc/72/13/99/359721399.db2.gz SGIQOSWKPNAUES-YPMHNXCESA-N 1 2 235.331 1.233 20 30 BDEDLO CN1CCC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166348 359721419 /nfs/dbraw/zinc/72/14/19/359721419.db2.gz SGIQOSWKPNAUES-YPMHNXCESA-N 1 2 235.331 1.233 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@H](OCC)C(C)C)C(=O)OC 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C=Cn1cc(C[NH2+][C@H](CC)CC#N)cn1 ZINC000194352869 361218841 /nfs/dbraw/zinc/21/88/41/361218841.db2.gz JEGXLEIMOYQCOS-LLVKDONJSA-N 1 2 204.277 1.765 20 30 BDEDLO C[C@H](C#N)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579014429 366697114 /nfs/dbraw/zinc/69/71/14/366697114.db2.gz BFXVAISELLRYLH-ZJUUUORDSA-N 1 2 220.276 1.110 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000428853778 201046587 /nfs/dbraw/zinc/04/65/87/201046587.db2.gz ZZZDGRMUXMYULT-ZDUSSCGKSA-N 1 2 238.331 1.931 20 30 BDEDLO C=CC[N@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000428853778 201046589 /nfs/dbraw/zinc/04/65/89/201046589.db2.gz ZZZDGRMUXMYULT-ZDUSSCGKSA-N 1 2 238.331 1.931 20 30 BDEDLO CCC[N@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000429153793 201073756 /nfs/dbraw/zinc/07/37/56/201073756.db2.gz WYPNFHMYAWXISZ-UHFFFAOYSA-N 1 2 248.301 1.375 20 30 BDEDLO CCC[N@@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000429153793 201073761 /nfs/dbraw/zinc/07/37/61/201073761.db2.gz WYPNFHMYAWXISZ-UHFFFAOYSA-N 1 2 248.301 1.375 20 30 BDEDLO CCC[N@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000429119802 201069374 /nfs/dbraw/zinc/06/93/74/201069374.db2.gz AGXRDFOODZYHIK-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO CCC[N@@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000429119802 201069378 /nfs/dbraw/zinc/06/93/78/201069378.db2.gz AGXRDFOODZYHIK-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000429526475 201112524 /nfs/dbraw/zinc/11/25/24/201112524.db2.gz JHPMVRFZNDWAAR-LLVKDONJSA-N 1 2 209.289 1.242 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000429526475 201112526 /nfs/dbraw/zinc/11/25/26/201112526.db2.gz JHPMVRFZNDWAAR-LLVKDONJSA-N 1 2 209.289 1.242 20 30 BDEDLO CC#CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579362037 366769853 /nfs/dbraw/zinc/76/98/53/366769853.db2.gz LUFZEHZWKWXPQN-NSHDSACASA-N 1 2 219.288 1.364 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000429884422 201135111 /nfs/dbraw/zinc/13/51/11/201135111.db2.gz KDGHKOOPLFYEFA-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000429884422 201135113 /nfs/dbraw/zinc/13/51/13/201135113.db2.gz KDGHKOOPLFYEFA-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO CC(C)N1CC[C@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000433297636 201175725 /nfs/dbraw/zinc/17/57/25/201175725.db2.gz MAJSRLAXZFACNA-NSHDSACASA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N1CC[C@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000433297636 201175729 /nfs/dbraw/zinc/17/57/29/201175729.db2.gz MAJSRLAXZFACNA-NSHDSACASA-N 1 2 237.347 1.477 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614395589 363797262 /nfs/dbraw/zinc/79/72/62/363797262.db2.gz BFQZBUXEINKAHU-GHMZBOCLSA-N 1 2 247.342 1.986 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614395589 363797264 /nfs/dbraw/zinc/79/72/64/363797264.db2.gz BFQZBUXEINKAHU-GHMZBOCLSA-N 1 2 247.342 1.986 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433317293 201178275 /nfs/dbraw/zinc/17/82/75/201178275.db2.gz CWSWMHNELMFSEW-NSHDSACASA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433317293 201178279 /nfs/dbraw/zinc/17/82/79/201178279.db2.gz CWSWMHNELMFSEW-NSHDSACASA-N 1 2 239.363 1.773 20 30 BDEDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433316963 201178400 /nfs/dbraw/zinc/17/84/00/201178400.db2.gz HKHITRTWENWMFP-NSHDSACASA-N 1 2 239.363 1.629 20 30 BDEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433316963 201178404 /nfs/dbraw/zinc/17/84/04/201178404.db2.gz HKHITRTWENWMFP-NSHDSACASA-N 1 2 239.363 1.629 20 30 BDEDLO N#Cc1nccn1Cc1[nH+]ccn1-c1ccccc1 ZINC000434647702 201231062 /nfs/dbraw/zinc/23/10/62/201231062.db2.gz WIJGGCUXYOYOGI-UHFFFAOYSA-N 1 2 249.277 1.989 20 30 BDEDLO C=C(C)c1cccc([C@H]2[NH2+]CCNC2=O)c1 ZINC000629729893 361667628 /nfs/dbraw/zinc/66/76/28/361667628.db2.gz IVYWWMZEOZPLBE-GFCCVEGCSA-N 1 2 216.284 1.480 20 30 BDEDLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@]12CCOC2 ZINC000329582232 541349284 /nfs/dbraw/zinc/34/92/84/541349284.db2.gz AKOROTUOHDSEOO-GXSJLCMTSA-N 1 2 221.260 1.293 20 30 BDEDLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@]12CCOC2 ZINC000329582232 541349288 /nfs/dbraw/zinc/34/92/88/541349288.db2.gz AKOROTUOHDSEOO-GXSJLCMTSA-N 1 2 221.260 1.293 20 30 BDEDLO C[N@@H+](CCC#N)CCO[C@@H]1CCCCO1 ZINC000181737808 366844847 /nfs/dbraw/zinc/84/48/47/366844847.db2.gz LKVSOZNLDUKZMY-LLVKDONJSA-N 1 2 212.293 1.375 20 30 BDEDLO C[N@H+](CCC#N)CCO[C@@H]1CCCCO1 ZINC000181737808 366844852 /nfs/dbraw/zinc/84/48/52/366844852.db2.gz LKVSOZNLDUKZMY-LLVKDONJSA-N 1 2 212.293 1.375 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000630746996 364533149 /nfs/dbraw/zinc/53/31/49/364533149.db2.gz KALDJALGCNMMEC-NSHDSACASA-N 1 2 233.315 1.744 20 30 BDEDLO CC(C)(CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000601197946 364579597 /nfs/dbraw/zinc/57/95/97/364579597.db2.gz IMAVVNGERSRNFQ-UHFFFAOYSA-N 1 2 241.298 1.419 20 30 BDEDLO C=C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000574375155 365046914 /nfs/dbraw/zinc/04/69/14/365046914.db2.gz ZLIRJHNCJYBLOY-UHFFFAOYSA-N 1 2 205.261 1.062 20 30 BDEDLO C[C@@H](CC(=O)N1CC(C)(C#N)C1)n1cc[nH+]c1 ZINC000574882627 365167643 /nfs/dbraw/zinc/16/76/43/365167643.db2.gz RVBVPVSFJWXGID-JTQLQIEISA-N 1 2 232.287 1.206 20 30 BDEDLO Cc1nnc(C[NH+]2CCC(CCC#N)CC2)[nH]1 ZINC000581308149 367336414 /nfs/dbraw/zinc/33/64/14/367336414.db2.gz YHKOAGOUTKOJTN-UHFFFAOYSA-N 1 2 233.319 1.629 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000066469455 368650048 /nfs/dbraw/zinc/65/00/48/368650048.db2.gz HHBONKJZQOLBRS-GWCFXTLKSA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000066469455 368650050 /nfs/dbraw/zinc/65/00/50/368650050.db2.gz HHBONKJZQOLBRS-GWCFXTLKSA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405126865 369446410 /nfs/dbraw/zinc/44/64/10/369446410.db2.gz OMHINKHNCNULBZ-VIFPVBQESA-N 1 2 202.257 1.255 20 30 BDEDLO C[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405126865 369446413 /nfs/dbraw/zinc/44/64/13/369446413.db2.gz OMHINKHNCNULBZ-VIFPVBQESA-N 1 2 202.257 1.255 20 30 BDEDLO N#Cc1cccc2c1CN(CCn1cc[nH+]c1)C2 ZINC000405052391 369443607 /nfs/dbraw/zinc/44/36/07/369443607.db2.gz CFDDWBIGJJWEGC-UHFFFAOYSA-N 1 2 238.294 1.771 20 30 BDEDLO CCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000250345335 369509239 /nfs/dbraw/zinc/50/92/39/369509239.db2.gz BKOKDSRQKHRKAR-WDEREUQCSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000250345335 369509242 /nfs/dbraw/zinc/50/92/42/369509242.db2.gz BKOKDSRQKHRKAR-WDEREUQCSA-N 1 2 223.320 1.137 20 30 BDEDLO C=C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)C(=O)OC ZINC000619703570 369536519 /nfs/dbraw/zinc/53/65/19/369536519.db2.gz NIZPQBOIQPJVQC-NWDGAFQWSA-N 1 2 241.331 1.653 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C(=C)C)C(=O)OC ZINC000619704522 369536920 /nfs/dbraw/zinc/53/69/20/369536920.db2.gz PEDBKGSTMNHNKU-GRYCIOLGSA-N 1 2 239.315 1.285 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000619721813 369552501 /nfs/dbraw/zinc/55/25/01/369552501.db2.gz DLMZYDLQCIIYLC-AAEUAGOBSA-N 1 2 241.331 1.199 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@](CC)(CO)C1 ZINC000619721813 369552505 /nfs/dbraw/zinc/55/25/05/369552505.db2.gz DLMZYDLQCIIYLC-AAEUAGOBSA-N 1 2 241.331 1.199 20 30 BDEDLO Cn1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000250622576 369560975 /nfs/dbraw/zinc/56/09/75/369560975.db2.gz QWVLNOFOHSSSGA-NWDGAFQWSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000250622576 369560978 /nfs/dbraw/zinc/56/09/78/369560978.db2.gz QWVLNOFOHSSSGA-NWDGAFQWSA-N 1 2 218.304 1.544 20 30 BDEDLO CCCCN(C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602560050 369812681 /nfs/dbraw/zinc/81/26/81/369812681.db2.gz AQFYBULHFWIVHG-UHFFFAOYSA-N 1 2 246.358 1.775 20 30 BDEDLO CC(C)[N@H+](Cc1cccc(C#N)n1)C1COC1 ZINC000602673336 369838311 /nfs/dbraw/zinc/83/83/11/369838311.db2.gz SMHRAPHTXLTCFU-UHFFFAOYSA-N 1 2 231.299 1.562 20 30 BDEDLO CC(C)[N@@H+](Cc1cccc(C#N)n1)C1COC1 ZINC000602673336 369838313 /nfs/dbraw/zinc/83/83/13/369838313.db2.gz SMHRAPHTXLTCFU-UHFFFAOYSA-N 1 2 231.299 1.562 20 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C=CCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621981196 370641248 /nfs/dbraw/zinc/64/12/48/370641248.db2.gz HBHBVZZYZGOTQR-UHFFFAOYSA-N 1 2 221.304 1.770 20 30 BDEDLO COCC[N@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000070144801 371009401 /nfs/dbraw/zinc/00/94/01/371009401.db2.gz NDSAXBRXQKLGBX-UHFFFAOYSA-N 1 2 243.310 1.920 20 30 BDEDLO COCC[N@@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000070144801 371009407 /nfs/dbraw/zinc/00/94/07/371009407.db2.gz NDSAXBRXQKLGBX-UHFFFAOYSA-N 1 2 243.310 1.920 20 30 BDEDLO COc1ncccc1C[NH2+][C@H](C)CC#N ZINC000037871522 371068286 /nfs/dbraw/zinc/06/82/86/371068286.db2.gz UWRJEGMZHWDMOK-SECBINFHSA-N 1 2 205.261 1.482 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000091917471 371069543 /nfs/dbraw/zinc/06/95/43/371069543.db2.gz GPYQCCQCIZLDJQ-UHFFFAOYSA-N 1 2 220.272 1.762 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000091917471 371069552 /nfs/dbraw/zinc/06/95/52/371069552.db2.gz GPYQCCQCIZLDJQ-UHFFFAOYSA-N 1 2 220.272 1.762 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370408 371588012 /nfs/dbraw/zinc/58/80/12/371588012.db2.gz YKBGBFXOCXZYSU-JTQLQIEISA-N 1 2 233.315 1.897 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370408 371588014 /nfs/dbraw/zinc/58/80/14/371588014.db2.gz YKBGBFXOCXZYSU-JTQLQIEISA-N 1 2 233.315 1.897 20 30 BDEDLO C=CCCC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000631447954 372368915 /nfs/dbraw/zinc/36/89/15/372368915.db2.gz HJRMONFTTAKLDA-UHFFFAOYSA-N 1 2 235.335 1.419 20 30 BDEDLO C=CCCC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000631447954 372368918 /nfs/dbraw/zinc/36/89/18/372368918.db2.gz HJRMONFTTAKLDA-UHFFFAOYSA-N 1 2 235.335 1.419 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000632575564 373013584 /nfs/dbraw/zinc/01/35/84/373013584.db2.gz UGPZNGKUNOMBNY-LLVKDONJSA-N 1 2 245.326 1.670 20 30 BDEDLO C=C[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633106384 373295827 /nfs/dbraw/zinc/29/58/27/373295827.db2.gz IQBNDKMXPNZQHU-QMMMGPOBSA-N 1 2 208.265 1.126 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(F)c1 ZINC000521950583 259579875 /nfs/dbraw/zinc/57/98/75/259579875.db2.gz OVZOJXRVYDESOC-CYBMUJFWSA-N 1 2 249.289 1.399 20 30 BDEDLO CCC[N@H+](CC#Cc1ccccc1)CC(=O)OC ZINC000051814882 169091018 /nfs/dbraw/zinc/09/10/18/169091018.db2.gz MSWAAEMIRSKTEG-UHFFFAOYSA-N 1 2 245.322 1.923 20 30 BDEDLO CCC[N@@H+](CC#Cc1ccccc1)CC(=O)OC ZINC000051814882 169091019 /nfs/dbraw/zinc/09/10/19/169091019.db2.gz MSWAAEMIRSKTEG-UHFFFAOYSA-N 1 2 245.322 1.923 20 30 BDEDLO C[C@H](CNc1cc(C#N)ccn1)[NH+]1CCOCC1 ZINC000283419968 383845309 /nfs/dbraw/zinc/84/53/09/383845309.db2.gz BPIMUZWPJBYSKB-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)[C@H]1CCNC1=O ZINC000298422160 383881823 /nfs/dbraw/zinc/88/18/23/383881823.db2.gz FYVFLLPQUAPASS-ZDUSSCGKSA-N 1 2 228.295 1.010 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCNC1=O ZINC000298422160 383881827 /nfs/dbraw/zinc/88/18/27/383881827.db2.gz FYVFLLPQUAPASS-ZDUSSCGKSA-N 1 2 228.295 1.010 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000298652589 383979843 /nfs/dbraw/zinc/97/98/43/383979843.db2.gz XMXYXLVLUYALRR-QMMMGPOBSA-N 1 2 243.694 1.295 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000298652589 383979851 /nfs/dbraw/zinc/97/98/51/383979851.db2.gz XMXYXLVLUYALRR-QMMMGPOBSA-N 1 2 243.694 1.295 20 30 BDEDLO C#CCN(CC)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000299160173 384119724 /nfs/dbraw/zinc/11/97/24/384119724.db2.gz YCDGAHIQPFVOKZ-UHFFFAOYSA-N 1 2 241.294 1.359 20 30 BDEDLO CCN(CC#N)Cc1c[nH+]c2ccc(C)cn12 ZINC000092399264 384177727 /nfs/dbraw/zinc/17/77/27/384177727.db2.gz IFDGQLALLFSFBW-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc2cnccn12 ZINC000093090547 384209381 /nfs/dbraw/zinc/20/93/81/384209381.db2.gz XLIKLADRIMLMIZ-SNVBAGLBSA-N 1 2 229.287 1.463 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc2cnccn12 ZINC000093090547 384209386 /nfs/dbraw/zinc/20/93/86/384209386.db2.gz XLIKLADRIMLMIZ-SNVBAGLBSA-N 1 2 229.287 1.463 20 30 BDEDLO C=CC[NH2+][C@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000082584483 384242826 /nfs/dbraw/zinc/24/28/26/384242826.db2.gz IHSUNQWTSUIPCG-QWRGUYRKSA-N 1 2 227.304 1.120 20 30 BDEDLO Cc1nnsc1C[NH2+]Cc1ccc(C#N)o1 ZINC000336670183 384250996 /nfs/dbraw/zinc/25/09/96/384250996.db2.gz GRMBGOKRPXSHJC-UHFFFAOYSA-N 1 2 234.284 1.601 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccc(C#N)nc1 ZINC000336713805 384254647 /nfs/dbraw/zinc/25/46/47/384254647.db2.gz URLYJYWYEMJBAE-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO Cc1cc(NC[C@@H]2CCSC2)c(C#N)c[nH+]1 ZINC000335514725 384295464 /nfs/dbraw/zinc/29/54/64/384295464.db2.gz YDLGWTLEFZEFRO-JTQLQIEISA-N 1 2 233.340 1.849 20 30 BDEDLO Cc1cc(NC[C@H]2C[C@H]2C)c(C#N)c[nH+]1 ZINC000335509869 384296409 /nfs/dbraw/zinc/29/64/09/384296409.db2.gz IFKSWZCDMPUSDX-PSASIEDQSA-N 1 2 201.273 1.752 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCCC1 ZINC000044365279 384326637 /nfs/dbraw/zinc/32/66/37/384326637.db2.gz UYFWMIXLGGRNFV-NSHDSACASA-N 1 2 246.314 1.472 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccco1 ZINC000569619133 384375411 /nfs/dbraw/zinc/37/54/11/384375411.db2.gz PJQQIGROWNGJBT-JTQLQIEISA-N 1 2 235.287 1.178 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000521367337 384425235 /nfs/dbraw/zinc/42/52/35/384425235.db2.gz ZGNNOPBSVOWGNN-NXEZZACHSA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000521367337 384425239 /nfs/dbraw/zinc/42/52/39/384425239.db2.gz ZGNNOPBSVOWGNN-NXEZZACHSA-N 1 2 221.304 1.669 20 30 BDEDLO Cc1cc(NC(=O)C2(C#N)CCOCC2)cc[nH+]1 ZINC000078468092 384449510 /nfs/dbraw/zinc/44/95/10/384449510.db2.gz IHSXDWVPPGUJCS-UHFFFAOYSA-N 1 2 245.282 1.649 20 30 BDEDLO Cn1ncc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000290100681 384671275 /nfs/dbraw/zinc/67/12/75/384671275.db2.gz WVPOFBPMXPYCAR-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000290100681 384671285 /nfs/dbraw/zinc/67/12/85/384671285.db2.gz WVPOFBPMXPYCAR-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155316959 384709662 /nfs/dbraw/zinc/70/96/62/384709662.db2.gz ZHRZERKEOFYXLP-UHFFFAOYSA-N 1 2 231.221 1.504 20 30 BDEDLO C#CC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155316959 384709666 /nfs/dbraw/zinc/70/96/66/384709666.db2.gz ZHRZERKEOFYXLP-UHFFFAOYSA-N 1 2 231.221 1.504 20 30 BDEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)ccn2)CCO1 ZINC000565968967 384732922 /nfs/dbraw/zinc/73/29/22/384732922.db2.gz OOUMECFHECSRPK-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)ccn2)CCO1 ZINC000565968967 384732929 /nfs/dbraw/zinc/73/29/29/384732929.db2.gz OOUMECFHECSRPK-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H](C)COC)C(=O)OCC ZINC000449658681 384834162 /nfs/dbraw/zinc/83/41/62/384834162.db2.gz UCIGLKHHIURHOO-QWRGUYRKSA-N 1 2 229.320 1.509 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)CC1(CO)CC1 ZINC000356392224 384870049 /nfs/dbraw/zinc/87/00/49/384870049.db2.gz KDKYFNVTIFJHDI-UHFFFAOYSA-N 1 2 237.328 1.219 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)CC1(CO)CC1 ZINC000356392224 384870059 /nfs/dbraw/zinc/87/00/59/384870059.db2.gz KDKYFNVTIFJHDI-UHFFFAOYSA-N 1 2 237.328 1.219 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(CO)o1 ZINC000093090835 384846792 /nfs/dbraw/zinc/84/67/92/384846792.db2.gz JPQOHBXEOZWFFG-SECBINFHSA-N 1 2 208.261 1.506 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(CO)o1 ZINC000093090835 384846798 /nfs/dbraw/zinc/84/67/98/384846798.db2.gz JPQOHBXEOZWFFG-SECBINFHSA-N 1 2 208.261 1.506 20 30 BDEDLO N#CCCn1c2ccccc2[nH+]c1CCCO ZINC000057584723 384954912 /nfs/dbraw/zinc/95/49/12/384954912.db2.gz GEYXBUQPPWGKHC-UHFFFAOYSA-N 1 2 229.283 1.875 20 30 BDEDLO C#CCC[N@H+]1CCC[C@H]1c1noc(CC)n1 ZINC000363482273 384905509 /nfs/dbraw/zinc/90/55/09/384905509.db2.gz YPWKTURWGMQIOE-JTQLQIEISA-N 1 2 219.288 1.792 20 30 BDEDLO C#CCC[N@@H+]1CCC[C@H]1c1noc(CC)n1 ZINC000363482273 384905515 /nfs/dbraw/zinc/90/55/15/384905515.db2.gz YPWKTURWGMQIOE-JTQLQIEISA-N 1 2 219.288 1.792 20 30 BDEDLO N#Cc1cnc(NCCNc2cccc[nH+]2)cn1 ZINC000355463301 384939575 /nfs/dbraw/zinc/93/95/75/384939575.db2.gz ZIBLFBODMNYCEC-UHFFFAOYSA-N 1 2 240.270 1.267 20 30 BDEDLO C#CCCSc1nc(N)cc(CC)[nH+]1 ZINC000279148048 384968964 /nfs/dbraw/zinc/96/89/64/384968964.db2.gz ZKXONMZWIOUQFH-UHFFFAOYSA-N 1 2 207.302 1.737 20 30 BDEDLO N#C[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000106306712 384983140 /nfs/dbraw/zinc/98/31/40/384983140.db2.gz BSECPHVKAXDHKH-LBPRGKRZSA-N 1 2 208.305 1.791 20 30 BDEDLO N#C[C@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000106306712 384983150 /nfs/dbraw/zinc/98/31/50/384983150.db2.gz BSECPHVKAXDHKH-LBPRGKRZSA-N 1 2 208.305 1.791 20 30 BDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000179653008 385010322 /nfs/dbraw/zinc/01/03/22/385010322.db2.gz NNTFFGUQYZQXHX-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000179653008 385010332 /nfs/dbraw/zinc/01/03/32/385010332.db2.gz NNTFFGUQYZQXHX-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO N#Cc1ccnc(NCCn2cc[nH+]c2)c1Cl ZINC000236057778 385015864 /nfs/dbraw/zinc/01/58/64/385015864.db2.gz MUHOYYPYMBAIPW-UHFFFAOYSA-N 1 2 247.689 1.915 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](CC)C[C@@H](C)C#N ZINC000179772965 385049890 /nfs/dbraw/zinc/04/98/90/385049890.db2.gz XQLZDOOZFVLGHX-NSHDSACASA-N 1 2 234.347 1.964 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+](CC)C[C@@H](C)C#N ZINC000179772965 385049894 /nfs/dbraw/zinc/04/98/94/385049894.db2.gz XQLZDOOZFVLGHX-NSHDSACASA-N 1 2 234.347 1.964 20 30 BDEDLO C=C(Br)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000088359144 385111867 /nfs/dbraw/zinc/11/18/67/385111867.db2.gz IVVCMBGVXIOJQT-QMMMGPOBSA-N 1 2 248.120 1.390 20 30 BDEDLO C=C(Br)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000088359144 385111872 /nfs/dbraw/zinc/11/18/72/385111872.db2.gz IVVCMBGVXIOJQT-QMMMGPOBSA-N 1 2 248.120 1.390 20 30 BDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000310521101 385097334 /nfs/dbraw/zinc/09/73/34/385097334.db2.gz LZGJMWSILUETNW-QWRGUYRKSA-N 1 2 232.287 1.082 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000491554557 385147472 /nfs/dbraw/zinc/14/74/72/385147472.db2.gz KDTGSMPHTYDUBN-NEPJUHHUSA-N 1 2 248.330 1.373 20 30 BDEDLO C#C[C@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000491220445 385170154 /nfs/dbraw/zinc/17/01/54/385170154.db2.gz NNDXHTAIMUBSIU-LLVKDONJSA-N 1 2 231.299 1.654 20 30 BDEDLO CCCCCNC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000157640644 385237888 /nfs/dbraw/zinc/23/78/88/385237888.db2.gz VCIRGZWPJPLINK-LBPRGKRZSA-N 1 2 239.363 1.774 20 30 BDEDLO CCCCCNC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000157640644 385237894 /nfs/dbraw/zinc/23/78/94/385237894.db2.gz VCIRGZWPJPLINK-LBPRGKRZSA-N 1 2 239.363 1.774 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000158093149 385342708 /nfs/dbraw/zinc/34/27/08/385342708.db2.gz BVPVOPYBMULYIO-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO COC[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178308177 385351919 /nfs/dbraw/zinc/35/19/19/385351919.db2.gz UAKHWDKTTAMILI-SSDOTTSWSA-N 1 2 243.332 1.318 20 30 BDEDLO C#C[C@H]1COCCN1Cc1[nH+]ccn1C(C)C ZINC000491660947 385400401 /nfs/dbraw/zinc/40/04/01/385400401.db2.gz PEPDOKVYJLHVOQ-LBPRGKRZSA-N 1 2 233.315 1.298 20 30 BDEDLO CC(C)n1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592152671 385567399 /nfs/dbraw/zinc/56/73/99/385567399.db2.gz ZWINONSZTOFOSD-CYBMUJFWSA-N 1 2 248.330 1.314 20 30 BDEDLO CC(C)n1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592152671 385567400 /nfs/dbraw/zinc/56/74/00/385567400.db2.gz ZWINONSZTOFOSD-CYBMUJFWSA-N 1 2 248.330 1.314 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000271113618 385787043 /nfs/dbraw/zinc/78/70/43/385787043.db2.gz DAVJLMDQRBKTOE-QMMMGPOBSA-N 1 2 206.293 1.618 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000271113618 385787049 /nfs/dbraw/zinc/78/70/49/385787049.db2.gz DAVJLMDQRBKTOE-QMMMGPOBSA-N 1 2 206.293 1.618 20 30 BDEDLO C[C@@H]1CC[N@@H+]2[C@H](C1)C(=O)N[C@]21CCC[C@@H](C#N)C1 ZINC000414200866 386038351 /nfs/dbraw/zinc/03/83/51/386038351.db2.gz DODBGZXCLQDMPT-HKUMRIAESA-N 1 2 247.342 1.627 20 30 BDEDLO C[C@@H]1CC[N@H+]2[C@H](C1)C(=O)N[C@]21CCC[C@@H](C#N)C1 ZINC000414200866 386038355 /nfs/dbraw/zinc/03/83/55/386038355.db2.gz DODBGZXCLQDMPT-HKUMRIAESA-N 1 2 247.342 1.627 20 30 BDEDLO C[C@H](C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000347144574 386260895 /nfs/dbraw/zinc/26/08/95/386260895.db2.gz XQLPZOXJYFGHDL-LLVKDONJSA-N 1 2 246.314 1.550 20 30 BDEDLO COC(=O)[C@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000347099557 386249396 /nfs/dbraw/zinc/24/93/96/386249396.db2.gz VEBDEIUWGKOEKD-VIFPVBQESA-N 1 2 212.293 1.420 20 30 BDEDLO COC(=O)[C@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000347099557 386249399 /nfs/dbraw/zinc/24/93/99/386249399.db2.gz VEBDEIUWGKOEKD-VIFPVBQESA-N 1 2 212.293 1.420 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335264987 386296402 /nfs/dbraw/zinc/29/64/02/386296402.db2.gz UFRCAPOERLCDNY-RKDXNWHRSA-N 1 2 232.287 1.248 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335264987 386296406 /nfs/dbraw/zinc/29/64/06/386296406.db2.gz UFRCAPOERLCDNY-RKDXNWHRSA-N 1 2 232.287 1.248 20 30 BDEDLO C=C(CC)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000334481452 386304499 /nfs/dbraw/zinc/30/44/99/386304499.db2.gz VLRUQWUYLBFSIE-CQSZACIVSA-N 1 2 215.362 1.796 20 30 BDEDLO C=C(CC)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000334481452 386304501 /nfs/dbraw/zinc/30/45/01/386304501.db2.gz VLRUQWUYLBFSIE-CQSZACIVSA-N 1 2 215.362 1.796 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000645403600 386447788 /nfs/dbraw/zinc/44/77/88/386447788.db2.gz CNVOSDVTERDBHH-GFCCVEGCSA-N 1 2 245.326 1.271 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)sc1C ZINC000192225662 386487430 /nfs/dbraw/zinc/48/74/30/386487430.db2.gz XMOCXSMRIJKSOA-UHFFFAOYSA-N 1 2 237.324 1.908 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)sc1C ZINC000192225662 386487435 /nfs/dbraw/zinc/48/74/35/386487435.db2.gz XMOCXSMRIJKSOA-UHFFFAOYSA-N 1 2 237.324 1.908 20 30 BDEDLO C=C(C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000428110867 386639510 /nfs/dbraw/zinc/63/95/10/386639510.db2.gz CQGBTZPPQCGJSY-UHFFFAOYSA-N 1 2 242.282 1.573 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000292981472 386648915 /nfs/dbraw/zinc/64/89/15/386648915.db2.gz BIXITVPMJGJTBG-UHFFFAOYSA-N 1 2 244.338 1.995 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000292981472 386648920 /nfs/dbraw/zinc/64/89/20/386648920.db2.gz BIXITVPMJGJTBG-UHFFFAOYSA-N 1 2 244.338 1.995 20 30 BDEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)O1 ZINC000328945930 386649286 /nfs/dbraw/zinc/64/92/86/386649286.db2.gz MDSVJFCNGFLVBP-KBVBSXBZSA-N 1 2 249.314 1.791 20 30 BDEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)O1 ZINC000328945930 386649293 /nfs/dbraw/zinc/64/92/93/386649293.db2.gz MDSVJFCNGFLVBP-KBVBSXBZSA-N 1 2 249.314 1.791 20 30 BDEDLO C[C@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000328955559 386653367 /nfs/dbraw/zinc/65/33/67/386653367.db2.gz OWAJUDMEBUDEHQ-TVQRCGJNSA-N 1 2 249.314 1.793 20 30 BDEDLO C[C@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000328955559 386653374 /nfs/dbraw/zinc/65/33/74/386653374.db2.gz OWAJUDMEBUDEHQ-TVQRCGJNSA-N 1 2 249.314 1.793 20 30 BDEDLO C=CCOCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000645088914 386712000 /nfs/dbraw/zinc/71/20/00/386712000.db2.gz WQKSVMHUSMAYGJ-VIFPVBQESA-N 1 2 239.237 1.452 20 30 BDEDLO C=CCOCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000645088914 386712006 /nfs/dbraw/zinc/71/20/06/386712006.db2.gz WQKSVMHUSMAYGJ-VIFPVBQESA-N 1 2 239.237 1.452 20 30 BDEDLO C[N@@H+](CC#N)CCCC1(C#N)CCOCC1 ZINC000330400575 386704574 /nfs/dbraw/zinc/70/45/74/386704574.db2.gz UKSQSGCTMCVQON-UHFFFAOYSA-N 1 2 221.304 1.542 20 30 BDEDLO C[N@H+](CC#N)CCCC1(C#N)CCOCC1 ZINC000330400575 386704580 /nfs/dbraw/zinc/70/45/80/386704580.db2.gz UKSQSGCTMCVQON-UHFFFAOYSA-N 1 2 221.304 1.542 20 30 BDEDLO CCc1noc(C)c1C(=O)NCc1[nH+]ccn1C ZINC000330508163 386745466 /nfs/dbraw/zinc/74/54/66/386745466.db2.gz AJQZKDRDKJAULQ-UHFFFAOYSA-N 1 2 248.286 1.784 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccon2)c[nH+]1 ZINC000330571318 386794346 /nfs/dbraw/zinc/79/43/46/386794346.db2.gz MRWRQXIUVBLBRQ-LURJTMIESA-N 1 2 220.232 1.772 20 30 BDEDLO CC[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000330544286 386784042 /nfs/dbraw/zinc/78/40/42/386784042.db2.gz XZBNDVLVHVCOQJ-MRVPVSSYSA-N 1 2 210.281 1.222 20 30 BDEDLO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330312666 386921398 /nfs/dbraw/zinc/92/13/98/386921398.db2.gz OJDNOTHUUPMJFG-AXFHLTTASA-N 1 2 249.314 1.579 20 30 BDEDLO Cc1cc(N(C)C[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000399517351 386923288 /nfs/dbraw/zinc/92/32/88/386923288.db2.gz NNLOBCYBSIDJQW-LBPRGKRZSA-N 1 2 231.299 1.877 20 30 BDEDLO Cc1ncc(CNc2cc(C)[nH+]cc2C#N)o1 ZINC000399400792 387017922 /nfs/dbraw/zinc/01/79/22/387017922.db2.gz ANSMWQIQWKQLJV-UHFFFAOYSA-N 1 2 228.255 1.592 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000424704504 387252644 /nfs/dbraw/zinc/25/26/44/387252644.db2.gz JLCLLLLKPSUXLW-UHFFFAOYSA-N 1 2 221.304 1.937 20 30 BDEDLO CC(C)(C#N)N1CCC(n2cc[nH+]c2)CC1 ZINC000161455757 387216659 /nfs/dbraw/zinc/21/66/59/387216659.db2.gz CSZUYIDTKMFAMC-UHFFFAOYSA-N 1 2 218.304 1.822 20 30 BDEDLO CCC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191379626 387386502 /nfs/dbraw/zinc/38/65/02/387386502.db2.gz NCKKCKMUFXWWKQ-AWEZNQCLSA-N 1 2 247.342 1.898 20 30 BDEDLO CCC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191379626 387386507 /nfs/dbraw/zinc/38/65/07/387386507.db2.gz NCKKCKMUFXWWKQ-AWEZNQCLSA-N 1 2 247.342 1.898 20 30 BDEDLO C#CC[N@H+](Cc1cn2ccccc2n1)C1CC1 ZINC000274125772 387460291 /nfs/dbraw/zinc/46/02/91/387460291.db2.gz HLDUXONWVBJSCU-UHFFFAOYSA-N 1 2 225.295 1.932 20 30 BDEDLO C#CC[N@@H+](Cc1cn2ccccc2n1)C1CC1 ZINC000274125772 387460295 /nfs/dbraw/zinc/46/02/95/387460295.db2.gz HLDUXONWVBJSCU-UHFFFAOYSA-N 1 2 225.295 1.932 20 30 BDEDLO C#CCCCCNC(=O)NCc1[nH+]ccn1C ZINC000268213264 387415712 /nfs/dbraw/zinc/41/57/12/387415712.db2.gz AQZMQWOESBZPLH-UHFFFAOYSA-N 1 2 234.303 1.023 20 30 BDEDLO C=CCCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626710769 387531041 /nfs/dbraw/zinc/53/10/41/387531041.db2.gz QDFAXFJIWDEKNG-LBPRGKRZSA-N 1 2 247.342 1.836 20 30 BDEDLO CCc1cc(NC2CCN(CC#N)CC2)nc[nH+]1 ZINC000104358151 387491543 /nfs/dbraw/zinc/49/15/43/387491543.db2.gz ODIBYOUGACOSLO-UHFFFAOYSA-N 1 2 245.330 1.439 20 30 BDEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)ccn1 ZINC000527532024 387623538 /nfs/dbraw/zinc/62/35/38/387623538.db2.gz DZBSHRRVGIWVPY-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)ccn1 ZINC000527532024 387623542 /nfs/dbraw/zinc/62/35/42/387623542.db2.gz DZBSHRRVGIWVPY-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO COC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000293631724 387545501 /nfs/dbraw/zinc/54/55/01/387545501.db2.gz RBPCTTGZECGOED-GFCCVEGCSA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000293631724 387545504 /nfs/dbraw/zinc/54/55/04/387545504.db2.gz RBPCTTGZECGOED-GFCCVEGCSA-N 1 2 234.274 1.918 20 30 BDEDLO CC#CCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426279882 387552286 /nfs/dbraw/zinc/55/22/86/387552286.db2.gz ZWQRTNCXVNNSTG-CYBMUJFWSA-N 1 2 236.359 1.589 20 30 BDEDLO CC#CCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426279882 387552290 /nfs/dbraw/zinc/55/22/90/387552290.db2.gz ZWQRTNCXVNNSTG-CYBMUJFWSA-N 1 2 236.359 1.589 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376958270 387681181 /nfs/dbraw/zinc/68/11/81/387681181.db2.gz OXXARXQVAMHGMV-WDEREUQCSA-N 1 2 246.314 1.064 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N)cc(Cl)[nH+]1 ZINC000306305584 387723587 /nfs/dbraw/zinc/72/35/87/387723587.db2.gz IUOJGLREWGJCDI-ZETCQYMHSA-N 1 2 213.668 1.276 20 30 BDEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ncnn1C ZINC000353185994 387740598 /nfs/dbraw/zinc/74/05/98/387740598.db2.gz XMEAIMDMKQPCJU-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NCC1(CC#N)CC1 ZINC000432267773 387778854 /nfs/dbraw/zinc/77/88/54/387778854.db2.gz BHISRAQUDCAMLT-UHFFFAOYSA-N 1 2 244.298 1.627 20 30 BDEDLO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442843118 387849982 /nfs/dbraw/zinc/84/99/82/387849982.db2.gz JFUVPRKVCXJEFC-OUAUKWLOSA-N 1 2 238.331 1.998 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000442658314 387814829 /nfs/dbraw/zinc/81/48/29/387814829.db2.gz UONJYAPCDJNGNN-GFCCVEGCSA-N 1 2 221.304 1.970 20 30 BDEDLO C#CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178770832 387926030 /nfs/dbraw/zinc/92/60/30/387926030.db2.gz IWXSTDVFCBORSR-UHFFFAOYSA-N 1 2 232.302 1.577 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000178770832 387926039 /nfs/dbraw/zinc/92/60/39/387926039.db2.gz IWXSTDVFCBORSR-UHFFFAOYSA-N 1 2 232.302 1.577 20 30 BDEDLO C=CCOCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000339003506 135050997 /nfs/dbraw/zinc/05/09/97/135050997.db2.gz NNJNOJPEEFVOEU-ZETOZRRWSA-N 1 2 231.361 1.030 20 30 BDEDLO C=CCOCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000339003506 135050999 /nfs/dbraw/zinc/05/09/99/135050999.db2.gz NNJNOJPEEFVOEU-ZETOZRRWSA-N 1 2 231.361 1.030 20 30 BDEDLO CC(C)OC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000080215426 387984389 /nfs/dbraw/zinc/98/43/89/387984389.db2.gz RCPYIVYIXVDKRH-ZDUSSCGKSA-N 1 2 240.347 1.540 20 30 BDEDLO CC(C)OC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000080215426 387984394 /nfs/dbraw/zinc/98/43/94/387984394.db2.gz RCPYIVYIXVDKRH-ZDUSSCGKSA-N 1 2 240.347 1.540 20 30 BDEDLO N#CCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000335990454 388002001 /nfs/dbraw/zinc/00/20/01/388002001.db2.gz LZORGYKNGLDLET-UHFFFAOYSA-N 1 2 248.351 1.317 20 30 BDEDLO CCN(C[C@H](C)C#N)[C@H](C)C[NH+]1CCOCC1 ZINC000246172094 388017089 /nfs/dbraw/zinc/01/70/89/388017089.db2.gz VKEYJXDDIYRQQJ-CHWSQXEVSA-N 1 2 239.363 1.189 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ncccc1C#N ZINC000042338273 388087511 /nfs/dbraw/zinc/08/75/11/388087511.db2.gz VWSNAPUNMVSITN-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO COCC[N@H+](CC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000453593210 388088418 /nfs/dbraw/zinc/08/84/18/388088418.db2.gz BISLFOBARIWXKE-VXGBXAGGSA-N 1 2 226.320 1.273 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000453593210 388088421 /nfs/dbraw/zinc/08/84/21/388088421.db2.gz BISLFOBARIWXKE-VXGBXAGGSA-N 1 2 226.320 1.273 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000454671764 388129386 /nfs/dbraw/zinc/12/93/86/388129386.db2.gz MKQQBQXVXLUALI-SECBINFHSA-N 1 2 222.292 1.277 20 30 BDEDLO C=C(C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000454972114 388143114 /nfs/dbraw/zinc/14/31/14/388143114.db2.gz LUHRHFGRSKWAQK-SNVBAGLBSA-N 1 2 248.330 1.532 20 30 BDEDLO C=C(C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000454972114 388143117 /nfs/dbraw/zinc/14/31/17/388143117.db2.gz LUHRHFGRSKWAQK-SNVBAGLBSA-N 1 2 248.330 1.532 20 30 BDEDLO CC[C@@H](CNc1cc(C)[nH+]cc1C#N)C(=O)OC ZINC000591977321 388144754 /nfs/dbraw/zinc/14/47/54/388144754.db2.gz XKKCAZOXFRWCAD-JTQLQIEISA-N 1 2 247.298 1.295 20 30 BDEDLO C=CCN(CCOC)c1cc[nH+]cc1F ZINC000641529512 388151530 /nfs/dbraw/zinc/15/15/30/388151530.db2.gz CIBQQGQNAFXBOB-UHFFFAOYSA-N 1 2 210.252 1.860 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000489494147 388218713 /nfs/dbraw/zinc/21/87/13/388218713.db2.gz UWUGMTMHWKTDNI-QMMMGPOBSA-N 1 2 208.265 1.051 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000489494147 388218715 /nfs/dbraw/zinc/21/87/15/388218715.db2.gz UWUGMTMHWKTDNI-QMMMGPOBSA-N 1 2 208.265 1.051 20 30 BDEDLO C=C(CC)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456811705 388223319 /nfs/dbraw/zinc/22/33/19/388223319.db2.gz KDWSUCFCHOXZQS-JTQLQIEISA-N 1 2 233.315 1.912 20 30 BDEDLO C=C(CC)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000456811705 388223322 /nfs/dbraw/zinc/22/33/22/388223322.db2.gz KDWSUCFCHOXZQS-JTQLQIEISA-N 1 2 233.315 1.912 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1c2ccccc2oc1=O ZINC000491287820 388282444 /nfs/dbraw/zinc/28/24/44/388282444.db2.gz OIKIWPZNNWZXKM-JTQLQIEISA-N 1 2 230.267 1.506 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000491287820 388282445 /nfs/dbraw/zinc/28/24/45/388282445.db2.gz OIKIWPZNNWZXKM-JTQLQIEISA-N 1 2 230.267 1.506 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000491295924 388283280 /nfs/dbraw/zinc/28/32/80/388283280.db2.gz JYIGBCVXFYRBAD-NEPJUHHUSA-N 1 2 207.273 1.013 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000491295924 388283281 /nfs/dbraw/zinc/28/32/81/388283281.db2.gz JYIGBCVXFYRBAD-NEPJUHHUSA-N 1 2 207.273 1.013 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000491297117 388283680 /nfs/dbraw/zinc/28/36/80/388283680.db2.gz OTQJWTOUGIICCS-UONOGXRCSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000491297117 388283681 /nfs/dbraw/zinc/28/36/81/388283681.db2.gz OTQJWTOUGIICCS-UONOGXRCSA-N 1 2 248.370 1.733 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000491465145 388296950 /nfs/dbraw/zinc/29/69/50/388296950.db2.gz VJJOEKIEPWHMBC-JQWIXIFHSA-N 1 2 234.343 1.544 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000491465145 388296951 /nfs/dbraw/zinc/29/69/51/388296951.db2.gz VJJOEKIEPWHMBC-JQWIXIFHSA-N 1 2 234.343 1.544 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000491484532 388298309 /nfs/dbraw/zinc/29/83/09/388298309.db2.gz JCKYMOSDPHNPTB-GFCCVEGCSA-N 1 2 242.322 1.529 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000491484532 388298311 /nfs/dbraw/zinc/29/83/11/388298311.db2.gz JCKYMOSDPHNPTB-GFCCVEGCSA-N 1 2 242.322 1.529 20 30 BDEDLO C#CC[N@@H+](Cc1c(C)nnn1CC)C1CC1 ZINC000491524228 388301351 /nfs/dbraw/zinc/30/13/51/388301351.db2.gz KNGKLXXDHGPDDD-UHFFFAOYSA-N 1 2 218.304 1.204 20 30 BDEDLO C#CC[N@H+](Cc1c(C)nnn1CC)C1CC1 ZINC000491524228 388301352 /nfs/dbraw/zinc/30/13/52/388301352.db2.gz KNGKLXXDHGPDDD-UHFFFAOYSA-N 1 2 218.304 1.204 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451851015 388301339 /nfs/dbraw/zinc/30/13/39/388301339.db2.gz LCRJFHHKBINGJY-UWVGGRQHSA-N 1 2 237.290 1.261 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451851015 388301341 /nfs/dbraw/zinc/30/13/41/388301341.db2.gz LCRJFHHKBINGJY-UWVGGRQHSA-N 1 2 237.290 1.261 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NC1CCCCCC1 ZINC000491626993 388306161 /nfs/dbraw/zinc/30/61/61/388306161.db2.gz JJIZRJUVNIMJTH-UHFFFAOYSA-N 1 2 222.332 1.390 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NC1CCCCCC1 ZINC000491626993 388306162 /nfs/dbraw/zinc/30/61/62/388306162.db2.gz JJIZRJUVNIMJTH-UHFFFAOYSA-N 1 2 222.332 1.390 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(COC)on1 ZINC000491629120 388306305 /nfs/dbraw/zinc/30/63/05/388306305.db2.gz MUQLNXJEBSDOMJ-VIFPVBQESA-N 1 2 208.261 1.275 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(COC)on1 ZINC000491629120 388306306 /nfs/dbraw/zinc/30/63/06/388306306.db2.gz MUQLNXJEBSDOMJ-VIFPVBQESA-N 1 2 208.261 1.275 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)OCC(C)C ZINC000491630984 388306488 /nfs/dbraw/zinc/30/64/88/388306488.db2.gz QYBSDZYUPNOPNN-UHFFFAOYSA-N 1 2 211.305 1.529 20 30 BDEDLO C#CC(C)(C)[N@H+](C)CC(=O)OCC(C)C ZINC000491630984 388306489 /nfs/dbraw/zinc/30/64/89/388306489.db2.gz QYBSDZYUPNOPNN-UHFFFAOYSA-N 1 2 211.305 1.529 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000491638287 388307386 /nfs/dbraw/zinc/30/73/86/388307386.db2.gz VODDGQXPHLXMLC-ZETCQYMHSA-N 1 2 231.221 1.882 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000491638287 388307387 /nfs/dbraw/zinc/30/73/87/388307387.db2.gz VODDGQXPHLXMLC-ZETCQYMHSA-N 1 2 231.221 1.882 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000491679039 388310556 /nfs/dbraw/zinc/31/05/56/388310556.db2.gz WEOQWVMGRZPKBS-SECBINFHSA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000491679039 388310557 /nfs/dbraw/zinc/31/05/57/388310557.db2.gz WEOQWVMGRZPKBS-SECBINFHSA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491698020 388312097 /nfs/dbraw/zinc/31/20/97/388312097.db2.gz ABZSHQRNNMDXAD-GHMZBOCLSA-N 1 2 248.330 1.675 20 30 BDEDLO C#CCN(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491699932 388312445 /nfs/dbraw/zinc/31/24/45/388312445.db2.gz FQEIUTOFOUSIGN-UHFFFAOYSA-N 1 2 242.282 1.821 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000491716818 388314233 /nfs/dbraw/zinc/31/42/33/388314233.db2.gz UVKKZDNPDVXEOB-JSGCOSHPSA-N 1 2 248.370 1.936 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000491716818 388314234 /nfs/dbraw/zinc/31/42/34/388314234.db2.gz UVKKZDNPDVXEOB-JSGCOSHPSA-N 1 2 248.370 1.936 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000491736533 388316318 /nfs/dbraw/zinc/31/63/18/388316318.db2.gz NKXZYABKJWCIRB-LLVKDONJSA-N 1 2 248.326 1.217 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000491736533 388316319 /nfs/dbraw/zinc/31/63/19/388316319.db2.gz NKXZYABKJWCIRB-LLVKDONJSA-N 1 2 248.326 1.217 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCCCCC1)C1CC1 ZINC000491749733 388317522 /nfs/dbraw/zinc/31/75/22/388317522.db2.gz ZSIVTPDXZVMWPW-UHFFFAOYSA-N 1 2 234.343 1.487 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCCCCC1)C1CC1 ZINC000491749733 388317523 /nfs/dbraw/zinc/31/75/23/388317523.db2.gz ZSIVTPDXZVMWPW-UHFFFAOYSA-N 1 2 234.343 1.487 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccc(OC)cc1 ZINC000491752719 388318019 /nfs/dbraw/zinc/31/80/19/388318019.db2.gz WXCAAVFBZVSGIX-CQSZACIVSA-N 1 2 245.322 1.572 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccc(OC)cc1 ZINC000491752719 388318020 /nfs/dbraw/zinc/31/80/20/388318020.db2.gz WXCAAVFBZVSGIX-CQSZACIVSA-N 1 2 245.322 1.572 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000491772352 388319449 /nfs/dbraw/zinc/31/94/49/388319449.db2.gz QEXFVJAELCCSAO-VIFPVBQESA-N 1 2 237.328 1.344 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000491772352 388319450 /nfs/dbraw/zinc/31/94/50/388319450.db2.gz QEXFVJAELCCSAO-VIFPVBQESA-N 1 2 237.328 1.344 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ncc1F ZINC000491806897 388322102 /nfs/dbraw/zinc/32/21/02/388322102.db2.gz RVMIAFZIOXMDEU-MRVPVSSYSA-N 1 2 210.227 1.813 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ncc1F ZINC000491806897 388322103 /nfs/dbraw/zinc/32/21/03/388322103.db2.gz RVMIAFZIOXMDEU-MRVPVSSYSA-N 1 2 210.227 1.813 20 30 BDEDLO C#CC[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000491103782 388269774 /nfs/dbraw/zinc/26/97/74/388269774.db2.gz QGZRYNQQDQKZEY-UHFFFAOYSA-N 1 2 236.340 1.319 20 30 BDEDLO C#CC[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000491103782 388269776 /nfs/dbraw/zinc/26/97/76/388269776.db2.gz QGZRYNQQDQKZEY-UHFFFAOYSA-N 1 2 236.340 1.319 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000491143495 388272534 /nfs/dbraw/zinc/27/25/34/388272534.db2.gz GILPCVHHAGHCMX-CYBMUJFWSA-N 1 2 244.338 1.771 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000491143495 388272536 /nfs/dbraw/zinc/27/25/36/388272536.db2.gz GILPCVHHAGHCMX-CYBMUJFWSA-N 1 2 244.338 1.771 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@@H](C)CC#N ZINC000492316303 388341150 /nfs/dbraw/zinc/34/11/50/388341150.db2.gz GGNJSLZJXIQTCZ-QRGHLMKCSA-N 1 2 246.314 1.677 20 30 BDEDLO C#C[C@H](CCC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000233358580 388346632 /nfs/dbraw/zinc/34/66/32/388346632.db2.gz PKVANGMGCMZAEG-MNOVXSKESA-N 1 2 209.289 1.330 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)C2)nc1 ZINC000594001061 388346679 /nfs/dbraw/zinc/34/66/79/388346679.db2.gz OBWIXQNSDJJUQZ-JTQLQIEISA-N 1 2 205.236 1.497 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C2)nc1 ZINC000594001061 388346681 /nfs/dbraw/zinc/34/66/81/388346681.db2.gz OBWIXQNSDJJUQZ-JTQLQIEISA-N 1 2 205.236 1.497 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@H](C)C#N ZINC000492280257 388340138 /nfs/dbraw/zinc/34/01/38/388340138.db2.gz VSJLGYOWCZLXFQ-ORAHPGNNSA-N 1 2 232.287 1.192 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1cscn1 ZINC000649256212 388472406 /nfs/dbraw/zinc/47/24/06/388472406.db2.gz QSZDHHMXRMHWIE-SNVBAGLBSA-N 1 2 212.318 1.512 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cscn1 ZINC000649256212 388472408 /nfs/dbraw/zinc/47/24/08/388472408.db2.gz QSZDHHMXRMHWIE-SNVBAGLBSA-N 1 2 212.318 1.512 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)C/C=C(\C)Cl)C1=O ZINC000528496424 388535835 /nfs/dbraw/zinc/53/58/35/388535835.db2.gz NZFCJYOXPIDUCQ-IGLBNKAOSA-N 1 2 242.750 1.848 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)C/C=C(\C)Cl)C1=O ZINC000528496424 388535839 /nfs/dbraw/zinc/53/58/39/388535839.db2.gz NZFCJYOXPIDUCQ-IGLBNKAOSA-N 1 2 242.750 1.848 20 30 BDEDLO CCOC[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000528714654 388561302 /nfs/dbraw/zinc/56/13/02/388561302.db2.gz AXSPVHMPRNHJKJ-NSHDSACASA-N 1 2 212.293 1.027 20 30 BDEDLO CCOC[C@@H]1C[N@@H+](CCCC#N)CCO1 ZINC000528714654 388561304 /nfs/dbraw/zinc/56/13/04/388561304.db2.gz AXSPVHMPRNHJKJ-NSHDSACASA-N 1 2 212.293 1.027 20 30 BDEDLO Cn1c[nH+]c(CCNc2cc(C#N)ccn2)c1 ZINC000313467619 388684163 /nfs/dbraw/zinc/68/41/63/388684163.db2.gz ICQKWKWBJOIIER-UHFFFAOYSA-N 1 2 227.271 1.341 20 30 BDEDLO Cc1cc(NCCc2cccc(C#N)c2)nc[nH+]1 ZINC000359931379 388631131 /nfs/dbraw/zinc/63/11/31/388631131.db2.gz YOIVHWABPYWTCZ-UHFFFAOYSA-N 1 2 238.294 1.733 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cn1)Cc1cnccn1 ZINC000515162126 388646831 /nfs/dbraw/zinc/64/68/31/388646831.db2.gz PKZYRIWZFSSPFK-UHFFFAOYSA-N 1 2 239.282 1.375 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cn1)Cc1cnccn1 ZINC000515162126 388646832 /nfs/dbraw/zinc/64/68/32/388646832.db2.gz PKZYRIWZFSSPFK-UHFFFAOYSA-N 1 2 239.282 1.375 20 30 BDEDLO Cc1ccnc(N[C@@H](C)Cn2cc[nH+]c2)c1C#N ZINC000123321671 388654438 /nfs/dbraw/zinc/65/44/38/388654438.db2.gz GXYJXTOXVOACLT-NSHDSACASA-N 1 2 241.298 1.959 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000552020221 388659546 /nfs/dbraw/zinc/65/95/46/388659546.db2.gz YOOVKMZBIUFYOQ-LBPRGKRZSA-N 1 2 232.287 1.206 20 30 BDEDLO C#CC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000127985052 388735601 /nfs/dbraw/zinc/73/56/01/388735601.db2.gz JZBVZCJUBOYOOZ-VIFPVBQESA-N 1 2 220.238 1.188 20 30 BDEDLO C#CC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000127985052 388735604 /nfs/dbraw/zinc/73/56/04/388735604.db2.gz JZBVZCJUBOYOOZ-VIFPVBQESA-N 1 2 220.238 1.188 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1C#N ZINC000276802525 388740870 /nfs/dbraw/zinc/74/08/70/388740870.db2.gz WAHSJRPGTDMABB-ZIAGYGMSSA-N 1 2 245.326 1.650 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1C#N ZINC000276802525 388740871 /nfs/dbraw/zinc/74/08/71/388740871.db2.gz WAHSJRPGTDMABB-ZIAGYGMSSA-N 1 2 245.326 1.650 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)s1)C1COC1 ZINC000449430378 388749776 /nfs/dbraw/zinc/74/97/76/388749776.db2.gz ZCKIBJSHFYNTQP-UHFFFAOYSA-N 1 2 222.313 1.840 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)s1)C1COC1 ZINC000449430378 388749777 /nfs/dbraw/zinc/74/97/77/388749777.db2.gz ZCKIBJSHFYNTQP-UHFFFAOYSA-N 1 2 222.313 1.840 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)Cc1nnc2n1CCC2 ZINC000538487950 388696582 /nfs/dbraw/zinc/69/65/82/388696582.db2.gz GVDWVFJSHPMKSI-UHFFFAOYSA-N 1 2 247.346 1.596 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)Cc1nnc2n1CCC2 ZINC000538487950 388696585 /nfs/dbraw/zinc/69/65/85/388696585.db2.gz GVDWVFJSHPMKSI-UHFFFAOYSA-N 1 2 247.346 1.596 20 30 BDEDLO C#CC[N@@H+](Cc1ncnn1CC)C1CCCC1 ZINC000193387382 388703358 /nfs/dbraw/zinc/70/33/58/388703358.db2.gz IREQVNDBXHVNSJ-UHFFFAOYSA-N 1 2 232.331 1.676 20 30 BDEDLO C#CC[N@H+](Cc1ncnn1CC)C1CCCC1 ZINC000193387382 388703362 /nfs/dbraw/zinc/70/33/62/388703362.db2.gz IREQVNDBXHVNSJ-UHFFFAOYSA-N 1 2 232.331 1.676 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C#N)nc1 ZINC000428130590 388719071 /nfs/dbraw/zinc/71/90/71/388719071.db2.gz KWWOUIFCSLDTPQ-UHFFFAOYSA-N 1 2 213.244 1.313 20 30 BDEDLO N#Cc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1F ZINC000334877940 388825320 /nfs/dbraw/zinc/82/53/20/388825320.db2.gz GVOPEYSQMGOXHD-UHFFFAOYSA-N 1 2 244.229 1.350 20 30 BDEDLO N#Cc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1F ZINC000334877940 388825321 /nfs/dbraw/zinc/82/53/21/388825321.db2.gz GVOPEYSQMGOXHD-UHFFFAOYSA-N 1 2 244.229 1.350 20 30 BDEDLO C[C@@H](CC(=O)N(C)CC(C)(C)C#N)n1cc[nH+]c1 ZINC000564458793 388876074 /nfs/dbraw/zinc/87/60/74/388876074.db2.gz JSTZQUPMIQBJLJ-NSHDSACASA-N 1 2 248.330 1.842 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C[C@H](C#N)CCC#N ZINC000153334224 388963869 /nfs/dbraw/zinc/96/38/69/388963869.db2.gz UJPZOICHNJDGOP-NSHDSACASA-N 1 2 231.303 1.295 20 30 BDEDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1CC1(C#N)CC1 ZINC000351992104 134031398 /nfs/dbraw/zinc/03/13/98/134031398.db2.gz BLKGRZMRIFHJPT-STQMWFEESA-N 1 2 249.358 1.085 20 30 BDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)C#N)cn2c1 ZINC000335999042 134043531 /nfs/dbraw/zinc/04/35/31/134043531.db2.gz ITSKNPVROVZFRG-JTQLQIEISA-N 1 2 242.282 1.419 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000352146073 134082199 /nfs/dbraw/zinc/08/21/99/134082199.db2.gz CVWFEELPTBYQOV-SNVBAGLBSA-N 1 2 234.303 1.350 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000352146073 134082200 /nfs/dbraw/zinc/08/22/00/134082200.db2.gz CVWFEELPTBYQOV-SNVBAGLBSA-N 1 2 234.303 1.350 20 30 BDEDLO C[C@H](O)CC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336274905 134141995 /nfs/dbraw/zinc/14/19/95/134141995.db2.gz WTGVDWLZHXAKDQ-WDEREUQCSA-N 1 2 210.321 1.771 20 30 BDEDLO C[C@H](O)CC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336274905 134141996 /nfs/dbraw/zinc/14/19/96/134141996.db2.gz WTGVDWLZHXAKDQ-WDEREUQCSA-N 1 2 210.321 1.771 20 30 BDEDLO N#CC1(F)CC[NH+](Cc2cccnc2)CC1 ZINC000352458592 134146056 /nfs/dbraw/zinc/14/60/56/134146056.db2.gz MOORMCWNFNQQDL-UHFFFAOYSA-N 1 2 219.263 1.909 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000355433134 134173119 /nfs/dbraw/zinc/17/31/19/134173119.db2.gz FPEXSCJRIYOWLL-MRVPVSSYSA-N 1 2 238.253 1.561 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000355433134 134173120 /nfs/dbraw/zinc/17/31/20/134173120.db2.gz FPEXSCJRIYOWLL-MRVPVSSYSA-N 1 2 238.253 1.561 20 30 BDEDLO COCC[N@H+](CCC#N)[C@@H]1CCO[C@@H]1C ZINC000355683573 134174405 /nfs/dbraw/zinc/17/44/05/134174405.db2.gz SIFCYLAJWHIYMG-GHMZBOCLSA-N 1 2 212.293 1.026 20 30 BDEDLO COCC[N@@H+](CCC#N)[C@@H]1CCO[C@@H]1C ZINC000355683573 134174406 /nfs/dbraw/zinc/17/44/06/134174406.db2.gz SIFCYLAJWHIYMG-GHMZBOCLSA-N 1 2 212.293 1.026 20 30 BDEDLO COCC[N@H+](CCC#N)[C@H]1CCO[C@H]1C ZINC000355683582 134174546 /nfs/dbraw/zinc/17/45/46/134174546.db2.gz SIFCYLAJWHIYMG-QWRGUYRKSA-N 1 2 212.293 1.026 20 30 BDEDLO COCC[N@@H+](CCC#N)[C@H]1CCO[C@H]1C ZINC000355683582 134174547 /nfs/dbraw/zinc/17/45/47/134174547.db2.gz SIFCYLAJWHIYMG-QWRGUYRKSA-N 1 2 212.293 1.026 20 30 BDEDLO C=CCN(c1nc(C)[nH+]c(N(C)C)n1)C1CC1 ZINC000357207133 134182526 /nfs/dbraw/zinc/18/25/26/134182526.db2.gz BNOMMPSYGVRDBZ-UHFFFAOYSA-N 1 2 233.319 1.401 20 30 BDEDLO C=CCN(c1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC000357207133 134182527 /nfs/dbraw/zinc/18/25/27/134182527.db2.gz BNOMMPSYGVRDBZ-UHFFFAOYSA-N 1 2 233.319 1.401 20 30 BDEDLO C=CCOCc1nc(Cc2c[nH+]cn2C)no1 ZINC000358007787 134186585 /nfs/dbraw/zinc/18/65/85/134186585.db2.gz VCDHAJIEMFKNCM-UHFFFAOYSA-N 1 2 234.259 1.097 20 30 BDEDLO C=CC[N@@H+](CCC)[C@H](COC)C(=O)OCC ZINC000361924402 134208169 /nfs/dbraw/zinc/20/81/69/134208169.db2.gz GLDXNNVURYDUCU-LLVKDONJSA-N 1 2 229.320 1.463 20 30 BDEDLO C=CC[N@H+](CCC)[C@H](COC)C(=O)OCC ZINC000361924402 134208170 /nfs/dbraw/zinc/20/81/70/134208170.db2.gz GLDXNNVURYDUCU-LLVKDONJSA-N 1 2 229.320 1.463 20 30 BDEDLO CCCN(CC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372317416 134231346 /nfs/dbraw/zinc/23/13/46/134231346.db2.gz WKURKPKVSKOJDZ-LLVKDONJSA-N 1 2 246.314 1.208 20 30 BDEDLO C#CCCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374702114 134237897 /nfs/dbraw/zinc/23/78/97/134237897.db2.gz RDZZQUWHGBIOPS-UHFFFAOYSA-N 1 2 245.326 1.727 20 30 BDEDLO N#CCCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000378432963 134245931 /nfs/dbraw/zinc/24/59/31/134245931.db2.gz ISLPVVNFFPVIFZ-JTQLQIEISA-N 1 2 204.277 1.850 20 30 BDEDLO CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@@H](C)C#N ZINC000220161975 134301378 /nfs/dbraw/zinc/30/13/78/134301378.db2.gz RBDNTEKNWZIMKJ-NWDGAFQWSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@@H](C)C#N ZINC000220161975 134301379 /nfs/dbraw/zinc/30/13/79/134301379.db2.gz RBDNTEKNWZIMKJ-NWDGAFQWSA-N 1 2 239.363 1.629 20 30 BDEDLO Cc1nn(Cc2ccc(C)[nH+]c2C)c(N)c1C#N ZINC000185378753 134377162 /nfs/dbraw/zinc/37/71/62/134377162.db2.gz GNZDBDWANXMSBO-UHFFFAOYSA-N 1 2 241.298 1.706 20 30 BDEDLO C=C[C@](C)(O)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000355742733 135016751 /nfs/dbraw/zinc/01/67/51/135016751.db2.gz WOFXBSGBIJXQOO-SKDRFNHKSA-N 1 2 237.303 1.304 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000365806424 135024220 /nfs/dbraw/zinc/02/42/20/135024220.db2.gz QVFNHRZPPANUNI-LBPRGKRZSA-N 1 2 245.326 1.961 20 30 BDEDLO C=CCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338266359 135031318 /nfs/dbraw/zinc/03/13/18/135031318.db2.gz IYIPXINKQIMIQQ-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000338304525 135032699 /nfs/dbraw/zinc/03/26/99/135032699.db2.gz OYRGEGZZALVALE-NSHDSACASA-N 1 2 246.314 1.424 20 30 BDEDLO CC[C@@H](C)[C@H]([NH2+]CCOCCC#N)C(=O)OC ZINC000339085641 135055401 /nfs/dbraw/zinc/05/54/01/135055401.db2.gz KJUAAVSXHRNNDJ-MNOVXSKESA-N 1 2 242.319 1.094 20 30 BDEDLO COC[C@H]1CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000339280198 135068357 /nfs/dbraw/zinc/06/83/57/135068357.db2.gz FZDAMHBOHPOYGN-GHMZBOCLSA-N 1 2 207.277 1.151 20 30 BDEDLO COC[C@H]1CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000339280198 135068360 /nfs/dbraw/zinc/06/83/60/135068360.db2.gz FZDAMHBOHPOYGN-GHMZBOCLSA-N 1 2 207.277 1.151 20 30 BDEDLO COc1ccc(F)cc1C[NH2+]CCC#N ZINC000258915883 135135410 /nfs/dbraw/zinc/13/54/10/135135410.db2.gz MYEISJPFVIJSPB-UHFFFAOYSA-N 1 2 208.236 1.838 20 30 BDEDLO N#CCC[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000265931296 135146193 /nfs/dbraw/zinc/14/61/93/135146193.db2.gz DLIXTMNYAJAGIA-UHFFFAOYSA-N 1 2 243.310 1.664 20 30 BDEDLO N#CCC[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000265931296 135146195 /nfs/dbraw/zinc/14/61/95/135146195.db2.gz DLIXTMNYAJAGIA-UHFFFAOYSA-N 1 2 243.310 1.664 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000267113673 135152176 /nfs/dbraw/zinc/15/21/76/135152176.db2.gz YFTPIXJQICFUCM-CYBMUJFWSA-N 1 2 248.326 1.662 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000267113673 135152178 /nfs/dbraw/zinc/15/21/78/135152178.db2.gz YFTPIXJQICFUCM-CYBMUJFWSA-N 1 2 248.326 1.662 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)CCn1cc[nH+]c1 ZINC000268035140 135157138 /nfs/dbraw/zinc/15/71/38/135157138.db2.gz WJORLEDALNJBBW-JTQLQIEISA-N 1 2 234.303 1.328 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1nccnc1OC ZINC000294985261 135188192 /nfs/dbraw/zinc/18/81/92/135188192.db2.gz GPFUDYFMZCXNDY-UHFFFAOYSA-N 1 2 213.668 1.327 20 30 BDEDLO C=C(Cl)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000298549082 135199923 /nfs/dbraw/zinc/19/99/23/135199923.db2.gz NYDCRYILKYCQTP-VIFPVBQESA-N 1 2 228.727 1.854 20 30 BDEDLO C=CCCC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000342789599 135318655 /nfs/dbraw/zinc/31/86/55/135318655.db2.gz RBGJOKZUVROSSJ-SNVBAGLBSA-N 1 2 249.362 1.825 20 30 BDEDLO C=CCCC[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000342789599 135318656 /nfs/dbraw/zinc/31/86/56/135318656.db2.gz RBGJOKZUVROSSJ-SNVBAGLBSA-N 1 2 249.362 1.825 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)CCn1cc[nH+]c1 ZINC000273864019 135366524 /nfs/dbraw/zinc/36/65/24/135366524.db2.gz MXLVPRRVBAKTLB-JTQLQIEISA-N 1 2 220.276 1.082 20 30 BDEDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)C#N)cn21 ZINC000334349434 135367941 /nfs/dbraw/zinc/36/79/41/135367941.db2.gz DOFHDJCHARCIFS-SECBINFHSA-N 1 2 242.282 1.419 20 30 BDEDLO CCc1cc(N)nc(SCCC#N)[nH+]1 ZINC000279136072 135369037 /nfs/dbraw/zinc/36/90/37/135369037.db2.gz XIJQAXCMKRWNJH-UHFFFAOYSA-N 1 2 208.290 1.627 20 30 BDEDLO C=CCNC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000348070429 136027678 /nfs/dbraw/zinc/02/76/78/136027678.db2.gz ISHVRTZJGKQPGL-UHFFFAOYSA-N 1 2 233.315 1.206 20 30 BDEDLO C=CCNC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000348070429 136027679 /nfs/dbraw/zinc/02/76/79/136027679.db2.gz ISHVRTZJGKQPGL-UHFFFAOYSA-N 1 2 233.315 1.206 20 30 BDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC1(C#N)CC1)CCO2 ZINC000348225678 136048262 /nfs/dbraw/zinc/04/82/62/136048262.db2.gz HGZPOXVYTZYYHO-AAEUAGOBSA-N 1 2 236.315 1.170 20 30 BDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC1(C#N)CC1)CCO2 ZINC000348225678 136048263 /nfs/dbraw/zinc/04/82/63/136048263.db2.gz HGZPOXVYTZYYHO-AAEUAGOBSA-N 1 2 236.315 1.170 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)[C@H]1[C@@H]1CCCO1 ZINC000335371970 136084006 /nfs/dbraw/zinc/08/40/06/136084006.db2.gz RZJNHCYJFMTYIP-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)[C@H]1[C@@H]1CCCO1 ZINC000335371970 136084007 /nfs/dbraw/zinc/08/40/07/136084007.db2.gz RZJNHCYJFMTYIP-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000442654519 397934484 /nfs/dbraw/zinc/93/44/84/397934484.db2.gz RDZOOCCGEFJXBL-LLVKDONJSA-N 1 2 207.277 1.628 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000442654519 397934486 /nfs/dbraw/zinc/93/44/86/397934486.db2.gz RDZOOCCGEFJXBL-LLVKDONJSA-N 1 2 207.277 1.628 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140218 397945618 /nfs/dbraw/zinc/94/56/18/397945618.db2.gz XDUAZGHQHHIUPQ-CHWSQXEVSA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140218 397945620 /nfs/dbraw/zinc/94/56/20/397945620.db2.gz XDUAZGHQHHIUPQ-CHWSQXEVSA-N 1 2 246.310 1.599 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1c[nH+]ccc1OC ZINC000593725769 397961029 /nfs/dbraw/zinc/96/10/29/397961029.db2.gz VGLANQGXWCNFPA-SECBINFHSA-N 1 2 233.271 1.256 20 30 BDEDLO C#CC[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000491506667 398044471 /nfs/dbraw/zinc/04/44/71/398044471.db2.gz QVEDQRPWHQEMLZ-UHFFFAOYSA-N 1 2 229.279 1.465 20 30 BDEDLO C#CC[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000491506667 398044474 /nfs/dbraw/zinc/04/44/74/398044474.db2.gz QVEDQRPWHQEMLZ-UHFFFAOYSA-N 1 2 229.279 1.465 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000491546256 398046527 /nfs/dbraw/zinc/04/65/27/398046527.db2.gz UYHQRNJJZUMSOY-JTQLQIEISA-N 1 2 217.272 1.297 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000490867085 398028894 /nfs/dbraw/zinc/02/88/94/398028894.db2.gz ZCICBZQUXURVCV-UHFFFAOYSA-N 1 2 228.255 1.197 20 30 BDEDLO C#CC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000490867085 398028896 /nfs/dbraw/zinc/02/88/96/398028896.db2.gz ZCICBZQUXURVCV-UHFFFAOYSA-N 1 2 228.255 1.197 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccsc1C ZINC000491406720 398040581 /nfs/dbraw/zinc/04/05/81/398040581.db2.gz OUCINGTXOKCQFE-GFCCVEGCSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccsc1C ZINC000491406720 398040583 /nfs/dbraw/zinc/04/05/83/398040583.db2.gz OUCINGTXOKCQFE-GFCCVEGCSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](CC(C)C)OC ZINC000491704360 398061470 /nfs/dbraw/zinc/06/14/70/398061470.db2.gz IPGHHSIQNFYXBI-QWHCGFSZSA-N 1 2 225.332 1.382 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](CC(C)C)OC ZINC000491704360 398061474 /nfs/dbraw/zinc/06/14/74/398061474.db2.gz IPGHHSIQNFYXBI-QWHCGFSZSA-N 1 2 225.332 1.382 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000192236439 398107458 /nfs/dbraw/zinc/10/74/58/398107458.db2.gz VIFYXWDXVBCDLL-UHFFFAOYSA-N 1 2 248.351 1.912 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000192236439 398107460 /nfs/dbraw/zinc/10/74/60/398107460.db2.gz VIFYXWDXVBCDLL-UHFFFAOYSA-N 1 2 248.351 1.912 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(CC)o1 ZINC000490778894 487595667 /nfs/dbraw/zinc/59/56/67/487595667.db2.gz NZPDPXBRLIQXIB-VIFPVBQESA-N 1 2 207.277 1.648 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(CC)o1 ZINC000490778894 487595673 /nfs/dbraw/zinc/59/56/73/487595673.db2.gz NZPDPXBRLIQXIB-VIFPVBQESA-N 1 2 207.277 1.648 20 30 BDEDLO C#CCCCCC(=O)NCc1[nH+]ccn1C ZINC000271361674 166122905 /nfs/dbraw/zinc/12/29/05/166122905.db2.gz JWJAXJZLDRTUAN-UHFFFAOYSA-N 1 2 219.288 1.230 20 30 BDEDLO C=CC[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245710 409537671 /nfs/dbraw/zinc/53/76/71/409537671.db2.gz OBFQAWGLHLTKBW-UHFFFAOYSA-N 1 2 220.320 1.577 20 30 BDEDLO C=CC[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662245710 409537679 /nfs/dbraw/zinc/53/76/79/409537679.db2.gz OBFQAWGLHLTKBW-UHFFFAOYSA-N 1 2 220.320 1.577 20 30 BDEDLO CC#CC[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662358637 409673303 /nfs/dbraw/zinc/67/33/03/409673303.db2.gz CTYYRENHXANWOW-ONGXEEELSA-N 1 2 217.259 1.754 20 30 BDEDLO CC#CC[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662358637 409673308 /nfs/dbraw/zinc/67/33/08/409673308.db2.gz CTYYRENHXANWOW-ONGXEEELSA-N 1 2 217.259 1.754 20 30 BDEDLO Cn1cc[nH+]c1CN(CCC#N)CC1CC1 ZINC000081514830 410076657 /nfs/dbraw/zinc/07/66/57/410076657.db2.gz XDFIXCPDOUYLOT-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO C=CC[N@H+](Cc1nnc(C)n1C)[C@@H](C)COC ZINC000661242548 410404517 /nfs/dbraw/zinc/40/45/17/410404517.db2.gz CKMYJQYPXNVSSZ-JTQLQIEISA-N 1 2 238.335 1.146 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(C)n1C)[C@@H](C)COC ZINC000661242548 410404525 /nfs/dbraw/zinc/40/45/25/410404525.db2.gz CKMYJQYPXNVSSZ-JTQLQIEISA-N 1 2 238.335 1.146 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000266944646 166169559 /nfs/dbraw/zinc/16/95/59/166169559.db2.gz RZOBCVXTGZWTAP-JTQLQIEISA-N 1 2 235.287 1.265 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000266944646 166169555 /nfs/dbraw/zinc/16/95/55/166169555.db2.gz RZOBCVXTGZWTAP-JTQLQIEISA-N 1 2 235.287 1.265 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000290728614 410520777 /nfs/dbraw/zinc/52/07/77/410520777.db2.gz AUPSSOALQGUBNG-VIFPVBQESA-N 1 2 217.272 1.532 20 30 BDEDLO C(#Cc1ccccc1)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000276954839 166225955 /nfs/dbraw/zinc/22/59/55/166225955.db2.gz LJRHNPGSXWXWTD-UHFFFAOYSA-N 1 2 237.306 1.820 20 30 BDEDLO C(#Cc1ccccc1)C[N@H+]1CCc2n[nH]cc2C1 ZINC000276954839 166225957 /nfs/dbraw/zinc/22/59/57/166225957.db2.gz LJRHNPGSXWXWTD-UHFFFAOYSA-N 1 2 237.306 1.820 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000650930639 410609860 /nfs/dbraw/zinc/60/98/60/410609860.db2.gz GFMMPHXUTIGVGU-LLVKDONJSA-N 1 2 233.315 1.528 20 30 BDEDLO C=CCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661564537 410845270 /nfs/dbraw/zinc/84/52/70/410845270.db2.gz AGROWMWTSACWLU-VIFPVBQESA-N 1 2 222.292 1.356 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000661579658 410916350 /nfs/dbraw/zinc/91/63/50/410916350.db2.gz ZQIDORVRWOZNPK-KBPBESRZSA-N 1 2 236.359 1.195 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000356069447 411163088 /nfs/dbraw/zinc/16/30/88/411163088.db2.gz WBXXJUUMQCRFTA-VIFPVBQESA-N 1 2 237.328 1.219 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000356069447 411163090 /nfs/dbraw/zinc/16/30/90/411163090.db2.gz WBXXJUUMQCRFTA-VIFPVBQESA-N 1 2 237.328 1.219 20 30 BDEDLO C=CCCn1cc(C[N@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000653704748 411195946 /nfs/dbraw/zinc/19/59/46/411195946.db2.gz FTZBSPRAMQDESK-GHMZBOCLSA-N 1 2 220.320 1.694 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000653704748 411195950 /nfs/dbraw/zinc/19/59/50/411195950.db2.gz FTZBSPRAMQDESK-GHMZBOCLSA-N 1 2 220.320 1.694 20 30 BDEDLO C=C1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000264493071 411414071 /nfs/dbraw/zinc/41/40/71/411414071.db2.gz TWDATUGNBFYHPP-UHFFFAOYSA-N 1 2 236.237 1.317 20 30 BDEDLO C=C(C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657464544 411518872 /nfs/dbraw/zinc/51/88/72/411518872.db2.gz SLNWRXRLEKSXHK-UHFFFAOYSA-N 1 2 209.297 1.094 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513796 411794324 /nfs/dbraw/zinc/79/43/24/411794324.db2.gz LFEJYMXMVSRISX-ZDUSSCGKSA-N 1 2 248.301 1.875 20 30 BDEDLO C=CC(C)(C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661268557 411745730 /nfs/dbraw/zinc/74/57/30/411745730.db2.gz FOHAHQYZQOQPCR-UHFFFAOYSA-N 1 2 236.319 1.763 20 30 BDEDLO C=CC(C)(C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661268557 411745735 /nfs/dbraw/zinc/74/57/35/411745735.db2.gz FOHAHQYZQOQPCR-UHFFFAOYSA-N 1 2 236.319 1.763 20 30 BDEDLO C=CCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000661282390 411747544 /nfs/dbraw/zinc/74/75/44/411747544.db2.gz WLLNTVOARHPCLA-UWVGGRQHSA-N 1 2 234.303 1.764 20 30 BDEDLO Cc1nc(N(C)C)nc(NCCCCC#N)[nH+]1 ZINC000610864247 411767100 /nfs/dbraw/zinc/76/71/00/411767100.db2.gz CJFCNYZCOJGFQG-UHFFFAOYSA-N 1 2 234.307 1.352 20 30 BDEDLO Cc1nc(NCCCCC#N)nc(N(C)C)[nH+]1 ZINC000610864247 411767104 /nfs/dbraw/zinc/76/71/04/411767104.db2.gz CJFCNYZCOJGFQG-UHFFFAOYSA-N 1 2 234.307 1.352 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661513796 411794320 /nfs/dbraw/zinc/79/43/20/411794320.db2.gz LFEJYMXMVSRISX-ZDUSSCGKSA-N 1 2 248.301 1.875 20 30 BDEDLO C=CCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000664227189 411889205 /nfs/dbraw/zinc/88/92/05/411889205.db2.gz DANNQRMWVFAHRV-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO C=CCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000664227189 411889209 /nfs/dbraw/zinc/88/92/09/411889209.db2.gz DANNQRMWVFAHRV-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCc2nccnc2C1 ZINC000662121675 411992281 /nfs/dbraw/zinc/99/22/81/411992281.db2.gz DXZHFUHXMHNVEM-NSHDSACASA-N 1 2 215.300 1.637 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCc2nccnc2C1 ZINC000662121675 411992283 /nfs/dbraw/zinc/99/22/83/411992283.db2.gz DXZHFUHXMHNVEM-NSHDSACASA-N 1 2 215.300 1.637 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000662165418 412015079 /nfs/dbraw/zinc/01/50/79/412015079.db2.gz GEUUTOBXVFKRSJ-RKDXNWHRSA-N 1 2 239.319 1.565 20 30 BDEDLO CC[C@@H]1CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336418886 171023573 /nfs/dbraw/zinc/02/35/73/171023573.db2.gz JVLWEYRUXBGUOO-SECBINFHSA-N 1 2 207.302 1.999 20 30 BDEDLO CC[C@@H]1CC[N@H+]1Cc1nc(C#N)cs1 ZINC000336418886 171023575 /nfs/dbraw/zinc/02/35/75/171023575.db2.gz JVLWEYRUXBGUOO-SECBINFHSA-N 1 2 207.302 1.999 20 30 BDEDLO C=CCn1cc(CNc2nc(C)[nH+]cc2C)nn1 ZINC000516785606 412142061 /nfs/dbraw/zinc/14/20/61/412142061.db2.gz PIOAAPPHAWPYLF-UHFFFAOYSA-N 1 2 244.302 1.483 20 30 BDEDLO CCn1ccnc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000061892581 172223507 /nfs/dbraw/zinc/22/35/07/172223507.db2.gz ACSWIIFFIMZXAH-QWRGUYRKSA-N 1 2 218.304 1.685 20 30 BDEDLO CCn1cc[nH+]c1CN[C@H]1CCC[C@H]1C#N ZINC000061892581 172223510 /nfs/dbraw/zinc/22/35/10/172223510.db2.gz ACSWIIFFIMZXAH-QWRGUYRKSA-N 1 2 218.304 1.685 20 30 BDEDLO CCn1cc[nH+]c1CNc1cnccc1C#N ZINC000295070176 172226026 /nfs/dbraw/zinc/22/60/26/172226026.db2.gz WHRMKZYGPKEZAT-UHFFFAOYSA-N 1 2 227.271 1.782 20 30 BDEDLO CCn1ncnc1C[NH2+]Cc1ccc(C#N)s1 ZINC000355615659 172281791 /nfs/dbraw/zinc/28/17/91/172281791.db2.gz YDJLSJZEQYTJLM-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO C[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000019834125 172665099 /nfs/dbraw/zinc/66/50/99/172665099.db2.gz KAYSPYLTRZKSLS-UHFFFAOYSA-N 1 2 219.244 1.940 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000019834125 172665100 /nfs/dbraw/zinc/66/51/00/172665100.db2.gz KAYSPYLTRZKSLS-UHFFFAOYSA-N 1 2 219.244 1.940 20 30 BDEDLO COC1CC([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356341777 174016968 /nfs/dbraw/zinc/01/69/68/174016968.db2.gz PYXJYTCUJCEQRL-UHFFFAOYSA-N 1 2 237.328 1.624 20 30 BDEDLO COC1CC([N@@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356341777 174016971 /nfs/dbraw/zinc/01/69/71/174016971.db2.gz PYXJYTCUJCEQRL-UHFFFAOYSA-N 1 2 237.328 1.624 20 30 BDEDLO COCC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000158600566 174279979 /nfs/dbraw/zinc/27/99/79/174279979.db2.gz BKMKNAOBJISMAV-UHFFFAOYSA-N 1 2 222.263 1.776 20 30 BDEDLO COCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000158600566 174279981 /nfs/dbraw/zinc/27/99/81/174279981.db2.gz BKMKNAOBJISMAV-UHFFFAOYSA-N 1 2 222.263 1.776 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)C(=O)C1 ZINC000187693511 176016990 /nfs/dbraw/zinc/01/69/90/176016990.db2.gz TZMDARSRMIPTAY-NSHDSACASA-N 1 2 243.310 1.393 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C)C(=O)C1 ZINC000187693511 176016991 /nfs/dbraw/zinc/01/69/91/176016991.db2.gz TZMDARSRMIPTAY-NSHDSACASA-N 1 2 243.310 1.393 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000019475744 176304443 /nfs/dbraw/zinc/30/44/43/176304443.db2.gz JJHPZGZTANACGK-LLVKDONJSA-N 1 2 216.284 1.779 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000019475744 176304445 /nfs/dbraw/zinc/30/44/45/176304445.db2.gz JJHPZGZTANACGK-LLVKDONJSA-N 1 2 216.284 1.779 20 30 BDEDLO C[C@H](c1cnn(C)c1)[N@H+](C)CC1(C#N)CC1 ZINC000348925337 177052302 /nfs/dbraw/zinc/05/23/02/177052302.db2.gz CDQSUXYCVLFDEN-SNVBAGLBSA-N 1 2 218.304 1.717 20 30 BDEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000348925337 177052303 /nfs/dbraw/zinc/05/23/03/177052303.db2.gz CDQSUXYCVLFDEN-SNVBAGLBSA-N 1 2 218.304 1.717 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276733746 177292262 /nfs/dbraw/zinc/29/22/62/177292262.db2.gz HPQHFSBBEDFTPS-JTQLQIEISA-N 1 2 219.288 1.117 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276733746 177292263 /nfs/dbraw/zinc/29/22/63/177292263.db2.gz HPQHFSBBEDFTPS-JTQLQIEISA-N 1 2 219.288 1.117 20 30 BDEDLO N#CCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813203 226059459 /nfs/dbraw/zinc/05/94/59/226059459.db2.gz OUDLBIDYTNWTCY-PLNGDYQASA-N 1 2 218.260 1.233 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492901771 226079531 /nfs/dbraw/zinc/07/95/31/226079531.db2.gz PMMYADUCEBGEGZ-ZBJFTSOASA-N 1 2 218.260 1.041 20 30 BDEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC000306258320 229390288 /nfs/dbraw/zinc/39/02/88/229390288.db2.gz BEWGTVFVCOVUIQ-SFYZADRCSA-N 1 2 208.290 1.320 20 30 BDEDLO Cc1cc(N2CC[C@H](O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000398977248 262773344 /nfs/dbraw/zinc/77/33/44/262773344.db2.gz ZJKUDNSQNKHRSC-RNCFNFMXSA-N 1 2 231.299 1.469 20 30 BDEDLO Cc1cc(NC[C@H]2CC[C@H](C)O2)c(C#N)c[nH+]1 ZINC000399462280 267300032 /nfs/dbraw/zinc/30/00/32/267300032.db2.gz VROPQFFHJOPURD-CMPLNLGQSA-N 1 2 231.299 1.663 20 30 BDEDLO Cc1cc(NC[C@@H]2CC[C@@H](C)O2)c(C#N)c[nH+]1 ZINC000399462282 267300259 /nfs/dbraw/zinc/30/02/59/267300259.db2.gz VROPQFFHJOPURD-PWSUYJOCSA-N 1 2 231.299 1.663 20 30 BDEDLO C=CCOCCNc1cc(NC2CC2)nc[nH+]1 ZINC000665710729 487737914 /nfs/dbraw/zinc/73/79/14/487737914.db2.gz DPYVHSZGWFERMX-UHFFFAOYSA-N 1 2 234.303 1.665 20 30 BDEDLO C=CCOCCNc1cc(NC2CC2)[nH+]cn1 ZINC000665710729 487737921 /nfs/dbraw/zinc/73/79/21/487737921.db2.gz DPYVHSZGWFERMX-UHFFFAOYSA-N 1 2 234.303 1.665 20 30 BDEDLO C=C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651481939 487753158 /nfs/dbraw/zinc/75/31/58/487753158.db2.gz RUUFYAUIQGTLRB-JTQLQIEISA-N 1 2 233.315 1.453 20 30 BDEDLO C=CCCOCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356093 487782854 /nfs/dbraw/zinc/78/28/54/487782854.db2.gz JPLOYAYARHFKHZ-UHFFFAOYSA-N 1 2 249.314 1.101 20 30 BDEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884062 487812815 /nfs/dbraw/zinc/81/28/15/487812815.db2.gz ILDAMLGXHGMPBM-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649884062 487812820 /nfs/dbraw/zinc/81/28/20/487812820.db2.gz ILDAMLGXHGMPBM-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC#N ZINC000564445251 322947111 /nfs/dbraw/zinc/94/71/11/322947111.db2.gz AVOFMVLBXZAZLU-JTQLQIEISA-N 1 2 204.277 1.301 20 30 BDEDLO C#CCOCC[N@@H+](CCC)CC(F)F ZINC000851744705 588621719 /nfs/dbraw/zinc/62/17/19/588621719.db2.gz MIHQQXFZWZYQLK-UHFFFAOYSA-N 1 2 205.248 1.613 20 30 BDEDLO C#CCOCC[N@H+](CCC)CC(F)F ZINC000851744705 588621720 /nfs/dbraw/zinc/62/17/20/588621720.db2.gz MIHQQXFZWZYQLK-UHFFFAOYSA-N 1 2 205.248 1.613 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(OC)ns1 ZINC000851800322 588630600 /nfs/dbraw/zinc/63/06/00/588630600.db2.gz ZBBULIVWKAVNKJ-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(OC)ns1 ZINC000851800322 588630601 /nfs/dbraw/zinc/63/06/01/588630601.db2.gz ZBBULIVWKAVNKJ-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO C#CCOCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000852016096 588655466 /nfs/dbraw/zinc/65/54/66/588655466.db2.gz UTKNXFKTOUOZSE-JTQLQIEISA-N 1 2 217.259 1.756 20 30 BDEDLO COc1c(C)[nH+]cnc1N1CCC[C@H](CC#N)C1 ZINC000596325843 487889082 /nfs/dbraw/zinc/88/90/82/487889082.db2.gz NZILZRXIZKOCIW-LLVKDONJSA-N 1 2 246.314 1.924 20 30 BDEDLO C=C(C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652397695 487943984 /nfs/dbraw/zinc/94/39/84/487943984.db2.gz KXGGUADVPYFEJW-UHFFFAOYSA-N 1 2 247.342 1.844 20 30 BDEDLO C=C(CC)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652423163 487948574 /nfs/dbraw/zinc/94/85/74/487948574.db2.gz LHMQUWYYQONOMX-UHFFFAOYSA-N 1 2 247.342 1.844 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000159969139 323055953 /nfs/dbraw/zinc/05/59/53/323055953.db2.gz FSDUMDPQCVOKKP-UHFFFAOYSA-N 1 2 238.331 1.420 20 30 BDEDLO C[C@@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1[nH]cc[nH+]1 ZINC000570696366 323067507 /nfs/dbraw/zinc/06/75/07/323067507.db2.gz LBIQFPVVSRKBGT-SOCHQFKDSA-N 1 2 218.260 1.137 20 30 BDEDLO Cc1csc(C[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000562985980 323077993 /nfs/dbraw/zinc/07/79/93/323077993.db2.gz NKEZWOUQMCFQRX-JTQLQIEISA-N 1 2 234.328 1.985 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493856673 323087502 /nfs/dbraw/zinc/08/75/02/323087502.db2.gz PMLZIJOBZUDZRC-MVZIDQBPSA-N 1 2 230.271 1.231 20 30 BDEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)c2[nH+]ccn21 ZINC000570985761 323102972 /nfs/dbraw/zinc/10/29/72/323102972.db2.gz NNPDWZKZWVHOQB-DTWKUNHWSA-N 1 2 240.270 1.085 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563539805 323130090 /nfs/dbraw/zinc/13/00/90/323130090.db2.gz XFUODAZLOPYIMD-QWRGUYRKSA-N 1 2 234.303 1.643 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000571177929 323137215 /nfs/dbraw/zinc/13/72/15/323137215.db2.gz UOGHVFQLESMROP-TVQRCGJNSA-N 1 2 246.314 1.397 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000571177929 323137216 /nfs/dbraw/zinc/13/72/16/323137216.db2.gz UOGHVFQLESMROP-TVQRCGJNSA-N 1 2 246.314 1.397 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000563867816 323181747 /nfs/dbraw/zinc/18/17/47/323181747.db2.gz IPZPWTFABHBYRU-NEPJUHHUSA-N 1 2 249.314 1.123 20 30 BDEDLO C=CC[N@@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000121258532 324007802 /nfs/dbraw/zinc/00/78/02/324007802.db2.gz INVNKNKLCNLEDO-UHFFFAOYSA-N 1 2 239.344 1.049 20 30 BDEDLO C=CC[N@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000121258532 324007806 /nfs/dbraw/zinc/00/78/06/324007806.db2.gz INVNKNKLCNLEDO-UHFFFAOYSA-N 1 2 239.344 1.049 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1ncc(Cl)c1C ZINC000491745289 324159243 /nfs/dbraw/zinc/15/92/43/324159243.db2.gz ORAPPGLUVWPNEF-QMMMGPOBSA-N 1 2 211.696 1.756 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1ncc(Cl)c1C ZINC000491745289 324159247 /nfs/dbraw/zinc/15/92/47/324159247.db2.gz ORAPPGLUVWPNEF-QMMMGPOBSA-N 1 2 211.696 1.756 20 30 BDEDLO CCC(C#N)(CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000529400829 324287337 /nfs/dbraw/zinc/28/73/37/324287337.db2.gz BBXWAXSKCYOFJW-UHFFFAOYSA-N 1 2 246.314 1.555 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccncc1Cl ZINC000529540080 324317245 /nfs/dbraw/zinc/31/72/45/324317245.db2.gz FBCQVRRFHUWRRB-MRVPVSSYSA-N 1 2 209.680 1.984 20 30 BDEDLO C=CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000548802150 325485649 /nfs/dbraw/zinc/48/56/49/325485649.db2.gz IZMSICACCVDOBR-UHFFFAOYSA-N 1 2 233.315 1.387 20 30 BDEDLO C=CCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000653572664 487968259 /nfs/dbraw/zinc/96/82/59/487968259.db2.gz TWARJOXPHNZJLC-UHFFFAOYSA-N 1 2 203.249 1.099 20 30 BDEDLO CN(Cc1ccc(N)[nH+]c1)c1ccncc1C#N ZINC000553494929 325694090 /nfs/dbraw/zinc/69/40/90/325694090.db2.gz ZEQUSQQHKAXBPV-UHFFFAOYSA-N 1 2 239.282 1.397 20 30 BDEDLO COCCOc1ncccc1C[NH2+]CCC#N ZINC000564846191 325815860 /nfs/dbraw/zinc/81/58/60/325815860.db2.gz IGASTILDQGRAME-UHFFFAOYSA-N 1 2 235.287 1.110 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccn1 ZINC000565168227 325866286 /nfs/dbraw/zinc/86/62/86/325866286.db2.gz CGBFGNDFOMRVBQ-SNVBAGLBSA-N 1 2 219.288 1.872 20 30 BDEDLO CCCN(CC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566435143 326046998 /nfs/dbraw/zinc/04/69/98/326046998.db2.gz FJTYGXNVFOGLIH-JTQLQIEISA-N 1 2 234.303 1.350 20 30 BDEDLO CCCN(CC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566435143 326047001 /nfs/dbraw/zinc/04/70/01/326047001.db2.gz FJTYGXNVFOGLIH-JTQLQIEISA-N 1 2 234.303 1.350 20 30 BDEDLO C[C@H](C#N)C[N@H+](Cc1ncccc1O)C1CC1 ZINC000566764043 326080749 /nfs/dbraw/zinc/08/07/49/326080749.db2.gz ALFBKZMHDCZYOK-SNVBAGLBSA-N 1 2 231.299 1.911 20 30 BDEDLO C[C@H](C#N)C[N@@H+](Cc1ncccc1O)C1CC1 ZINC000566764043 326080751 /nfs/dbraw/zinc/08/07/51/326080751.db2.gz ALFBKZMHDCZYOK-SNVBAGLBSA-N 1 2 231.299 1.911 20 30 BDEDLO CNc1[nH+]cnc2c1cnn2CC1(C#N)CCC1 ZINC000568234764 326331370 /nfs/dbraw/zinc/33/13/70/326331370.db2.gz PXZSIXWEDDBCSD-UHFFFAOYSA-N 1 2 242.286 1.562 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1(CCF)CC1 ZINC000568399514 326354369 /nfs/dbraw/zinc/35/43/69/326354369.db2.gz RAOPYSJVQVYLTN-LLVKDONJSA-N 1 2 241.310 1.086 20 30 BDEDLO Cn1c2ccccc2nc1C[NH2+]CC1(C#N)CC1 ZINC000568829218 326378666 /nfs/dbraw/zinc/37/86/66/326378666.db2.gz GZLNVMBHSOBMPD-UHFFFAOYSA-N 1 2 240.310 1.967 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)cc(OC)nc1C ZINC000490934864 488027876 /nfs/dbraw/zinc/02/78/76/488027876.db2.gz LAKNQNWZULMDBO-UHFFFAOYSA-N 1 2 242.322 1.775 20 30 BDEDLO COCC#CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000677819755 488135632 /nfs/dbraw/zinc/13/56/32/488135632.db2.gz PLHAHVGXFJKRFL-UHFFFAOYSA-N 1 2 233.233 1.831 20 30 BDEDLO COCC#CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000677819755 488135635 /nfs/dbraw/zinc/13/56/35/488135635.db2.gz PLHAHVGXFJKRFL-UHFFFAOYSA-N 1 2 233.233 1.831 20 30 BDEDLO C=CCCn1cc(C[NH+]2CC(C3CC3)C2)nn1 ZINC000668182270 488215670 /nfs/dbraw/zinc/21/56/70/488215670.db2.gz AFDJSIIBSFBJKS-UHFFFAOYSA-N 1 2 232.331 1.696 20 30 BDEDLO C=CC[N@@H+](Cc1nc(CC)no1)C1CC1 ZINC000678537137 488265032 /nfs/dbraw/zinc/26/50/32/488265032.db2.gz JUHYQFSCJCRHFZ-UHFFFAOYSA-N 1 2 207.277 1.782 20 30 BDEDLO C=CC[N@H+](Cc1nc(CC)no1)C1CC1 ZINC000678537137 488265034 /nfs/dbraw/zinc/26/50/34/488265034.db2.gz JUHYQFSCJCRHFZ-UHFFFAOYSA-N 1 2 207.277 1.782 20 30 BDEDLO C=CCOCCNc1nc(N)c2ccccc2[nH+]1 ZINC000679471462 488353265 /nfs/dbraw/zinc/35/32/65/488353265.db2.gz KUAAJEMTNCUQHZ-UHFFFAOYSA-N 1 2 244.298 1.827 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)cn1 ZINC000609150198 490097526 /nfs/dbraw/zinc/09/75/26/490097526.db2.gz WFRYOHFVRKQKIM-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C#N)cn1 ZINC000609150198 490097530 /nfs/dbraw/zinc/09/75/30/490097530.db2.gz WFRYOHFVRKQKIM-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO N#CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000397623529 490265245 /nfs/dbraw/zinc/26/52/45/490265245.db2.gz LWTMUSOXNRDUCH-NSHDSACASA-N 1 2 232.287 1.035 20 30 BDEDLO Cc1nc2[nH]ccc2c(N2CC(CC#N)C2)[nH+]1 ZINC000596432630 491081276 /nfs/dbraw/zinc/08/12/76/491081276.db2.gz IDKUFVFPUYGPGJ-UHFFFAOYSA-N 1 2 227.271 1.616 20 30 BDEDLO CCCCNC(=O)C[NH2+][C@H](CC)CC#N ZINC000584239645 491122374 /nfs/dbraw/zinc/12/23/74/491122374.db2.gz HWIMFJGCBYZLLJ-SNVBAGLBSA-N 1 2 211.309 1.185 20 30 BDEDLO C=C[C@H](C)O[NH+]=Cc1c(Cl)nc(N)n1C ZINC000844621398 582603010 /nfs/dbraw/zinc/60/30/10/582603010.db2.gz ZBFVXXGXGOQEBR-LURJTMIESA-N 1 2 228.683 1.581 20 30 BDEDLO C#CCSCC(=O)Nc1cc[nH+]cc1CC ZINC000888977170 582657285 /nfs/dbraw/zinc/65/72/85/582657285.db2.gz QACBIBPSRXUAGZ-UHFFFAOYSA-N 1 2 234.324 1.371 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(F)cc1C ZINC000892058724 582779025 /nfs/dbraw/zinc/77/90/25/582779025.db2.gz FFEFOKNUZJHSTO-UHFFFAOYSA-N 1 2 216.259 1.598 20 30 BDEDLO C=C(CC)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307749363 534400695 /nfs/dbraw/zinc/40/06/95/534400695.db2.gz GJFKXSWOGWUTNS-MFKMUULPSA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(CC)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307749363 534400703 /nfs/dbraw/zinc/40/07/03/534400703.db2.gz GJFKXSWOGWUTNS-MFKMUULPSA-N 1 2 201.335 1.405 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372603092 534440398 /nfs/dbraw/zinc/44/03/98/534440398.db2.gz XWKUBIDSXYPZKV-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372603092 534440406 /nfs/dbraw/zinc/44/04/06/534440406.db2.gz XWKUBIDSXYPZKV-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369045257 534437951 /nfs/dbraw/zinc/43/79/51/534437951.db2.gz GDKFNGMVDOFNSI-SNVBAGLBSA-N 1 2 230.695 1.313 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369045257 534437953 /nfs/dbraw/zinc/43/79/53/534437953.db2.gz GDKFNGMVDOFNSI-SNVBAGLBSA-N 1 2 230.695 1.313 20 30 BDEDLO C=C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335547339 534455440 /nfs/dbraw/zinc/45/54/40/534455440.db2.gz DXPWNRWQVSWKLZ-LBPRGKRZSA-N 1 2 245.326 1.624 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335550578 534495240 /nfs/dbraw/zinc/49/52/40/534495240.db2.gz ZSWKNYCFBBXTLV-NXEZZACHSA-N 1 2 219.288 1.136 20 30 BDEDLO C=C[C@@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353324712 534529187 /nfs/dbraw/zinc/52/91/87/534529187.db2.gz WFDRRTZSHFXRQG-VIFPVBQESA-N 1 2 246.270 1.003 20 30 BDEDLO C=C[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000353597823 534644492 /nfs/dbraw/zinc/64/44/92/534644492.db2.gz CUAWSGUHOBXAGI-JTQLQIEISA-N 1 2 244.298 1.708 20 30 BDEDLO C=CCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000175325603 534661907 /nfs/dbraw/zinc/66/19/07/534661907.db2.gz VQAJYUYUKRNKDB-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000290735553 534685645 /nfs/dbraw/zinc/68/56/45/534685645.db2.gz BJDXEAUOBPHQRW-SNVBAGLBSA-N 1 2 219.288 1.621 20 30 BDEDLO C=CCC[C@H](CCC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000249077843 534801215 /nfs/dbraw/zinc/80/12/15/534801215.db2.gz MBDFTWMXDXLYFU-SRVKXCTJSA-N 1 2 243.347 1.633 20 30 BDEDLO C=CCN(CC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378080355 534820175 /nfs/dbraw/zinc/82/01/75/534820175.db2.gz PQFVUZAWAXJDDM-JTQLQIEISA-N 1 2 248.330 1.485 20 30 BDEDLO C=CCN(CC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378080355 534820179 /nfs/dbraw/zinc/82/01/79/534820179.db2.gz PQFVUZAWAXJDDM-JTQLQIEISA-N 1 2 248.330 1.485 20 30 BDEDLO CCn1c[nH+]cc1C=NNC[C@@H]1CCSC1 ZINC000841639915 582887668 /nfs/dbraw/zinc/88/76/68/582887668.db2.gz WEIXGPNXXCBKCT-JTQLQIEISA-N 1 2 238.360 1.580 20 30 BDEDLO C=CCOCCC[N@@H+](CCO)CC(F)F ZINC000361355746 534875100 /nfs/dbraw/zinc/87/51/00/534875100.db2.gz IQABZUYKMJORAT-UHFFFAOYSA-N 1 2 223.263 1.139 20 30 BDEDLO C=CCOCCC[N@H+](CCO)CC(F)F ZINC000361355746 534875101 /nfs/dbraw/zinc/87/51/01/534875101.db2.gz IQABZUYKMJORAT-UHFFFAOYSA-N 1 2 223.263 1.139 20 30 BDEDLO CC#CCN(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000493387491 526343267 /nfs/dbraw/zinc/34/32/67/526343267.db2.gz NRVNMXOIHLXWSM-FPLPWBNLSA-N 1 2 231.299 1.398 20 30 BDEDLO C=C(C)CNC(=O)NCCNc1cccc[nH+]1 ZINC000488564411 526616437 /nfs/dbraw/zinc/61/64/37/526616437.db2.gz VJXLLFJTVLXLNT-UHFFFAOYSA-N 1 2 234.303 1.369 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N(CC(C)C)C(C)C ZINC000174050251 526844988 /nfs/dbraw/zinc/84/49/88/526844988.db2.gz KSDYVCLFSAIXMM-UHFFFAOYSA-N 1 2 248.370 1.448 20 30 BDEDLO C=C(Cl)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493544778 526886036 /nfs/dbraw/zinc/88/60/36/526886036.db2.gz BYENGFJSTIVGDE-NSCUHMNNSA-N 1 2 211.652 1.292 20 30 BDEDLO C=C1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488403833 526908295 /nfs/dbraw/zinc/90/82/95/526908295.db2.gz ZPTQGJLQUZZLEB-UHFFFAOYSA-N 1 2 233.319 1.402 20 30 BDEDLO C=C1CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000488403833 526908298 /nfs/dbraw/zinc/90/82/98/526908298.db2.gz ZPTQGJLQUZZLEB-UHFFFAOYSA-N 1 2 233.319 1.402 20 30 BDEDLO C=CC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493770600 526950031 /nfs/dbraw/zinc/95/00/31/526950031.db2.gz JZRDKBGGZJIOKU-AATRIKPKSA-N 1 2 219.288 1.751 20 30 BDEDLO C#CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000491644707 527013763 /nfs/dbraw/zinc/01/37/63/527013763.db2.gz LAHRIDPWKVQGPQ-UHFFFAOYSA-N 1 2 217.272 1.131 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000491711837 527332287 /nfs/dbraw/zinc/33/22/87/527332287.db2.gz WUEJTVVYZHAKRU-QJPTWQEYSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000491711837 527332292 /nfs/dbraw/zinc/33/22/92/527332292.db2.gz WUEJTVVYZHAKRU-QJPTWQEYSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nccn1C(C)C ZINC000491395182 527334282 /nfs/dbraw/zinc/33/42/82/527334282.db2.gz RBXIBKQCSZXUOR-NSHDSACASA-N 1 2 205.305 1.918 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nccn1C(C)C ZINC000491395182 527334289 /nfs/dbraw/zinc/33/42/89/527334289.db2.gz RBXIBKQCSZXUOR-NSHDSACASA-N 1 2 205.305 1.918 20 30 BDEDLO C#C[C@H](C)N(C)Cc1[nH+]ccn1C(C)C ZINC000491395182 527334294 /nfs/dbraw/zinc/33/42/94/527334294.db2.gz RBXIBKQCSZXUOR-NSHDSACASA-N 1 2 205.305 1.918 20 30 BDEDLO C#C[C@H](CC)[NH2+][C@@H](CCCC)C(=O)OC ZINC000300398792 527362908 /nfs/dbraw/zinc/36/29/08/527362908.db2.gz LUIHXBIZULCGIR-MNOVXSKESA-N 1 2 211.305 1.720 20 30 BDEDLO C=C[C@@H](C)ONC(=O)/C=C/c1[nH+]ccn1CC ZINC000493151047 527417661 /nfs/dbraw/zinc/41/76/61/527417661.db2.gz LXYAVYGVNARETA-VQCYPWCPSA-N 1 2 235.287 1.539 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860782 527595018 /nfs/dbraw/zinc/59/50/18/527595018.db2.gz IPWVNBWXDROLRC-SYTKJHMZSA-N 1 2 231.299 1.990 20 30 BDEDLO C/C=C/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493323085 527612420 /nfs/dbraw/zinc/61/24/20/527612420.db2.gz OCZWHWZPAGROSN-GUYSKMSSSA-N 1 2 221.304 1.079 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cc(C)n(C)n1 ZINC000487360183 527642209 /nfs/dbraw/zinc/64/22/09/527642209.db2.gz FMFRHZOZJSIJJO-UHFFFAOYSA-N 1 2 205.305 1.903 20 30 BDEDLO CCN(CCC#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493609241 528350765 /nfs/dbraw/zinc/35/07/65/528350765.db2.gz CEYYLOYTTIVZNT-SNAWJCMRSA-N 1 2 218.260 1.185 20 30 BDEDLO CC(C)N(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904064 528877201 /nfs/dbraw/zinc/87/72/01/528877201.db2.gz VPDWUVRJRHVOJA-SNAWJCMRSA-N 1 2 232.287 1.574 20 30 BDEDLO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC#N)C1 ZINC000495488552 528981895 /nfs/dbraw/zinc/98/18/95/528981895.db2.gz WMCDQVPIFWWFTD-MNOVXSKESA-N 1 2 239.319 1.357 20 30 BDEDLO COc1cccc2c1CC[N@H+](CCC#N)C2 ZINC000273022962 536942615 /nfs/dbraw/zinc/94/26/15/536942615.db2.gz SJNRDURZFRKQKS-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO COc1cccc2c1CC[N@@H+](CCC#N)C2 ZINC000273022962 536942621 /nfs/dbraw/zinc/94/26/21/536942621.db2.gz SJNRDURZFRKQKS-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO C=C[C@@H]([NH2+]CC12CCC(CC1)C2)C(=O)OC ZINC000309977897 566268411 /nfs/dbraw/zinc/26/84/11/566268411.db2.gz UQQKCOLPKWGXQF-QWKFWESOSA-N 1 2 223.316 1.884 20 30 BDEDLO C=CC[C@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893161624 583059774 /nfs/dbraw/zinc/05/97/74/583059774.db2.gz CSSQDYQRXRWJOG-NXEZZACHSA-N 1 2 222.288 1.484 20 30 BDEDLO C=C[C@@H](C)ON=Cc1c[nH+]c2n1CCC2 ZINC000853369732 588738429 /nfs/dbraw/zinc/73/84/29/588738429.db2.gz RIDDQCLMQQWZLG-SECBINFHSA-N 1 2 205.261 1.754 20 30 BDEDLO Cc1[nH+]cc(CN=Nc2cc(C)ccn2)n1C ZINC000853316748 588732235 /nfs/dbraw/zinc/73/22/35/588732235.db2.gz BIHKNCMNNIHXQQ-UHFFFAOYSA-N 1 2 229.287 1.878 20 30 BDEDLO c1[nH+]c2n(c1CN=Nc1cncnc1)CCC2 ZINC000853343440 588735700 /nfs/dbraw/zinc/73/57/00/588735700.db2.gz FEGLQQPGWWXOIX-UHFFFAOYSA-N 1 2 228.259 1.065 20 30 BDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OCC1CCC1 ZINC000853440633 588743342 /nfs/dbraw/zinc/74/33/42/588743342.db2.gz GOSHXWMVAHMGME-UHFFFAOYSA-N 1 2 242.710 1.806 20 30 BDEDLO C=CC[N@H+](CN1CC[C@H](C)C1=O)[C@H](C)COC ZINC000853534573 588748023 /nfs/dbraw/zinc/74/80/23/588748023.db2.gz KAYYZLPIFJVSGO-NWDGAFQWSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@@H+](CN1CC[C@H](C)C1=O)[C@H](C)COC ZINC000853534573 588748024 /nfs/dbraw/zinc/74/80/24/588748024.db2.gz KAYYZLPIFJVSGO-NWDGAFQWSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@H+](Cn1cc[nH]c1=S)[C@H](C)COC ZINC000853535585 588748123 /nfs/dbraw/zinc/74/81/23/588748123.db2.gz WTQSTPDMZUHWIS-SNVBAGLBSA-N 1 2 241.360 1.652 20 30 BDEDLO C=CC[N@@H+](Cn1cc[nH]c1=S)[C@H](C)COC ZINC000853535585 588748124 /nfs/dbraw/zinc/74/81/24/588748124.db2.gz WTQSTPDMZUHWIS-SNVBAGLBSA-N 1 2 241.360 1.652 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@H](O)C1 ZINC000853982661 588770804 /nfs/dbraw/zinc/77/08/04/588770804.db2.gz IMGPLEDMHXXFKI-HAQNSBGRSA-N 1 2 246.310 1.809 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000854697230 588802587 /nfs/dbraw/zinc/80/25/87/588802587.db2.gz XKBXVJLMXQYMFE-SMDDNHRTSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000854702039 588803537 /nfs/dbraw/zinc/80/35/37/588803537.db2.gz IUTICLGKMUSAAO-LBPRGKRZSA-N 1 2 219.288 1.260 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000854702039 588803538 /nfs/dbraw/zinc/80/35/38/588803538.db2.gz IUTICLGKMUSAAO-LBPRGKRZSA-N 1 2 219.288 1.260 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854705520 588803855 /nfs/dbraw/zinc/80/38/55/588803855.db2.gz KRTJEGDJJUJKDZ-IINYFYTJSA-N 1 2 245.326 1.433 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854705520 588803856 /nfs/dbraw/zinc/80/38/56/588803856.db2.gz KRTJEGDJJUJKDZ-IINYFYTJSA-N 1 2 245.326 1.433 20 30 BDEDLO Cc1cc(CNC(=O)C#CC(C)C)cc(C)[nH+]1 ZINC000854961595 588819006 /nfs/dbraw/zinc/81/90/06/588819006.db2.gz VJRDEJQSOQGDSI-UHFFFAOYSA-N 1 2 230.311 1.974 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000855027014 588820955 /nfs/dbraw/zinc/82/09/55/588820955.db2.gz VYLSBOTVDFNPNJ-RKDXNWHRSA-N 1 2 235.287 1.137 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000855027014 588820956 /nfs/dbraw/zinc/82/09/56/588820956.db2.gz VYLSBOTVDFNPNJ-RKDXNWHRSA-N 1 2 235.287 1.137 20 30 BDEDLO C#CCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855136022 588823374 /nfs/dbraw/zinc/82/33/74/588823374.db2.gz LENBHDJNNBRZAC-UHFFFAOYSA-N 1 2 205.261 1.172 20 30 BDEDLO C#CCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855136022 588823375 /nfs/dbraw/zinc/82/33/75/588823375.db2.gz LENBHDJNNBRZAC-UHFFFAOYSA-N 1 2 205.261 1.172 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000890548026 582470279 /nfs/dbraw/zinc/47/02/79/582470279.db2.gz JABQAPLKCRFUNB-SNVBAGLBSA-N 1 2 205.261 1.129 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000890552723 582474522 /nfs/dbraw/zinc/47/45/22/582474522.db2.gz NMVQFWKYNQFTFS-JTQLQIEISA-N 1 2 219.288 1.438 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000890555827 582475712 /nfs/dbraw/zinc/47/57/12/582475712.db2.gz DHANPBUHEUMQKU-NEPJUHHUSA-N 1 2 245.326 1.623 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000890554860 582476841 /nfs/dbraw/zinc/47/68/41/582476841.db2.gz YMQKUCLQNMYIKS-NEPJUHHUSA-N 1 2 245.326 1.623 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NCCCC)[nH+]c(N)n1 ZINC000804659948 582481550 /nfs/dbraw/zinc/48/15/50/582481550.db2.gz AUIRRJSKEPKSEV-SNVBAGLBSA-N 1 2 247.346 1.729 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NCCCC)nc(N)[nH+]1 ZINC000804659948 582481551 /nfs/dbraw/zinc/48/15/51/582481551.db2.gz AUIRRJSKEPKSEV-SNVBAGLBSA-N 1 2 247.346 1.729 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000890658185 582495608 /nfs/dbraw/zinc/49/56/08/582495608.db2.gz HEACSWDXENTPKK-WSROAFLRSA-N 1 2 243.310 1.448 20 30 BDEDLO C=C[C@H](C)ONC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000845619300 582618098 /nfs/dbraw/zinc/61/80/98/582618098.db2.gz VMSNTKKJOTXALP-IUCAKERBSA-N 1 2 236.275 1.133 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000846662708 582663912 /nfs/dbraw/zinc/66/39/12/582663912.db2.gz GDBLIHLUGNEZGD-ZJUUUORDSA-N 1 2 235.287 1.068 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cn2ccnc2s1 ZINC000891715518 582713088 /nfs/dbraw/zinc/71/30/88/582713088.db2.gz DSMYVOLPJYMVPI-SECBINFHSA-N 1 2 234.328 1.987 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn2ccnc2s1 ZINC000891715518 582713090 /nfs/dbraw/zinc/71/30/90/582713090.db2.gz DSMYVOLPJYMVPI-SECBINFHSA-N 1 2 234.328 1.987 20 30 BDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000725780383 582849335 /nfs/dbraw/zinc/84/93/35/582849335.db2.gz YDLGYZUOTCXLLB-SECBINFHSA-N 1 2 239.348 1.294 20 30 BDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000725780383 582849337 /nfs/dbraw/zinc/84/93/37/582849337.db2.gz YDLGYZUOTCXLLB-SECBINFHSA-N 1 2 239.348 1.294 20 30 BDEDLO C=CCCONC(=O)CCCn1cc[nH+]c1 ZINC000856030662 588856215 /nfs/dbraw/zinc/85/62/15/588856215.db2.gz LLCUROXJBJVMRQ-UHFFFAOYSA-N 1 2 223.276 1.287 20 30 BDEDLO C=CCCONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000856034299 588857543 /nfs/dbraw/zinc/85/75/43/588857543.db2.gz KRVRTYDUQSGVKP-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO C=C(C)COCCNc1cc(N(C)C)nc[nH+]1 ZINC000892928415 583011404 /nfs/dbraw/zinc/01/14/04/583011404.db2.gz KWOORSUOCMUAOM-UHFFFAOYSA-N 1 2 236.319 1.547 20 30 BDEDLO C=C(C)COCCNc1cc(N(C)C)[nH+]cn1 ZINC000892928415 583011407 /nfs/dbraw/zinc/01/14/07/583011407.db2.gz KWOORSUOCMUAOM-UHFFFAOYSA-N 1 2 236.319 1.547 20 30 BDEDLO Cc1ccc(CCC=NN(C)C[C@H](C)O)c[nH+]1 ZINC000841652172 583079927 /nfs/dbraw/zinc/07/99/27/583079927.db2.gz VBEHOZIPOQVZJK-LBPRGKRZSA-N 1 2 235.331 1.621 20 30 BDEDLO C=CCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000893409517 583138795 /nfs/dbraw/zinc/13/87/95/583138795.db2.gz RWGYATRXUXLKLC-UHFFFAOYSA-N 1 2 206.293 1.555 20 30 BDEDLO C=CCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000893409517 583138796 /nfs/dbraw/zinc/13/87/96/583138796.db2.gz RWGYATRXUXLKLC-UHFFFAOYSA-N 1 2 206.293 1.555 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1Cl ZINC000857039603 588883622 /nfs/dbraw/zinc/88/36/22/588883622.db2.gz OXWNAJARQRWRPC-VIFPVBQESA-N 1 2 226.711 1.855 20 30 BDEDLO C#CC[C@@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893926029 583249464 /nfs/dbraw/zinc/24/94/64/583249464.db2.gz RBLJTVFWKUDUQW-LBPRGKRZSA-N 1 2 245.326 1.849 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961789 583256083 /nfs/dbraw/zinc/25/60/83/583256083.db2.gz JAHSWEOYVLRZEI-SECBINFHSA-N 1 2 244.298 1.860 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961789 583256086 /nfs/dbraw/zinc/25/60/86/583256086.db2.gz JAHSWEOYVLRZEI-SECBINFHSA-N 1 2 244.298 1.860 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](C)C[C@H](C)C#N)C1(F)F ZINC000893994857 583268205 /nfs/dbraw/zinc/26/82/05/583268205.db2.gz KYACFNICGPRENE-HLTSFMKQSA-N 1 2 246.257 1.132 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)C[C@H](C)C#N)C1(F)F ZINC000893994857 583268206 /nfs/dbraw/zinc/26/82/06/583268206.db2.gz KYACFNICGPRENE-HLTSFMKQSA-N 1 2 246.257 1.132 20 30 BDEDLO COc1nccc(C[NH2+]CCC#N)c1F ZINC000894082223 583294630 /nfs/dbraw/zinc/29/46/30/583294630.db2.gz UOGBDGWGGBNUIM-UHFFFAOYSA-N 1 2 209.224 1.233 20 30 BDEDLO CCc1[nH]nc(Cl)c1C[NH2+]CCC#N ZINC000894082573 583295032 /nfs/dbraw/zinc/29/50/32/583295032.db2.gz FVQKBVUNPGYHLR-UHFFFAOYSA-N 1 2 212.684 1.629 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000894112152 583309130 /nfs/dbraw/zinc/30/91/30/583309130.db2.gz AKEYCXOZDMSKFE-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000894112152 583309133 /nfs/dbraw/zinc/30/91/33/583309133.db2.gz AKEYCXOZDMSKFE-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C#C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(C)C ZINC000857212447 588893977 /nfs/dbraw/zinc/89/39/77/588893977.db2.gz LMDFFWWMTCDPAY-SNVBAGLBSA-N 1 2 233.315 1.461 20 30 BDEDLO C#CC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000894356031 583434720 /nfs/dbraw/zinc/43/47/20/583434720.db2.gz LFWSERDIFYLYGQ-UHFFFAOYSA-N 1 2 226.283 1.579 20 30 BDEDLO N#CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000894580773 583488492 /nfs/dbraw/zinc/48/84/92/583488492.db2.gz VIBGEXILJKJSBI-UHFFFAOYSA-N 1 2 218.212 1.389 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc(NC)[nH+]cn1 ZINC000894829596 583527299 /nfs/dbraw/zinc/52/72/99/583527299.db2.gz AQTVLOBQPORTLT-SNVBAGLBSA-N 1 2 234.303 1.359 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc(NC)nc[nH+]1 ZINC000894829596 583527301 /nfs/dbraw/zinc/52/73/01/583527301.db2.gz AQTVLOBQPORTLT-SNVBAGLBSA-N 1 2 234.303 1.359 20 30 BDEDLO C#C[C@@H]1COCCN1Cc1[nH+]ccn1C1CC1 ZINC000894865026 583536864 /nfs/dbraw/zinc/53/68/64/583536864.db2.gz CTOQDXHYCZAWST-LLVKDONJSA-N 1 2 231.299 1.052 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894988232 583565044 /nfs/dbraw/zinc/56/50/44/583565044.db2.gz YRQCROJELFWKJA-YVECIDJPSA-N 1 2 235.327 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894988228 583565065 /nfs/dbraw/zinc/56/50/65/583565065.db2.gz YRQCROJELFWKJA-MROQNXINSA-N 1 2 235.327 1.720 20 30 BDEDLO Cc1ncoc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000895335880 583652735 /nfs/dbraw/zinc/65/27/35/583652735.db2.gz PWUHOYAODASDTH-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1ncoc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000895335880 583652737 /nfs/dbraw/zinc/65/27/37/583652737.db2.gz PWUHOYAODASDTH-LLVKDONJSA-N 1 2 205.261 1.719 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C1CC(SC)C1)C(=O)OC ZINC000895754449 583720912 /nfs/dbraw/zinc/72/09/12/583720912.db2.gz OTQUIROIZLMNHY-VQXHTEKXSA-N 1 2 243.372 1.978 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979443 588927274 /nfs/dbraw/zinc/92/72/74/588927274.db2.gz OUCCTNWSGSHXKL-SECBINFHSA-N 1 2 232.287 1.384 20 30 BDEDLO C=CCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982110 588927730 /nfs/dbraw/zinc/92/77/30/588927730.db2.gz FKVBKHIXTVJXAQ-JTQLQIEISA-N 1 2 219.288 1.800 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000727779748 583770000 /nfs/dbraw/zinc/77/00/00/583770000.db2.gz SXPFKJFBSRUHAH-SECBINFHSA-N 1 2 233.271 1.222 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)C#CC1CC1)CCN2 ZINC000858001375 588930341 /nfs/dbraw/zinc/93/03/41/588930341.db2.gz WRTRPMBWGXEIJQ-UHFFFAOYSA-N 1 2 241.294 1.562 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896505222 583807967 /nfs/dbraw/zinc/80/79/67/583807967.db2.gz LSCZSDCOGLELTF-SNVBAGLBSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1n[nH]cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896505222 583807969 /nfs/dbraw/zinc/80/79/69/583807969.db2.gz LSCZSDCOGLELTF-SNVBAGLBSA-N 1 2 204.277 1.454 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913648 583853950 /nfs/dbraw/zinc/85/39/50/583853950.db2.gz IGOAQLKTXVBBSP-UHFFFAOYSA-N 1 2 233.315 1.692 20 30 BDEDLO C=C1CC(C)(c2noc([C@H]3C[N@H+](C)CCO3)n2)C1 ZINC000896921132 583857066 /nfs/dbraw/zinc/85/70/66/583857066.db2.gz GPEJVVZGGJSBEP-SNVBAGLBSA-N 1 2 249.314 1.680 20 30 BDEDLO C=C1CC(C)(c2noc([C@H]3C[N@@H+](C)CCO3)n2)C1 ZINC000896921132 583857067 /nfs/dbraw/zinc/85/70/67/583857067.db2.gz GPEJVVZGGJSBEP-SNVBAGLBSA-N 1 2 249.314 1.680 20 30 BDEDLO C=CCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920364 583857477 /nfs/dbraw/zinc/85/74/77/583857477.db2.gz CRDCPDFCYVJQLA-UHFFFAOYSA-N 1 2 207.277 1.609 20 30 BDEDLO C#CCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896965141 583864953 /nfs/dbraw/zinc/86/49/53/583864953.db2.gz CLIDDJQPOKAPKU-UHFFFAOYSA-N 1 2 247.342 1.846 20 30 BDEDLO C#C[C@H]1CCCCN1c1cc(NC)[nH+]cn1 ZINC000897360424 583938571 /nfs/dbraw/zinc/93/85/71/583938571.db2.gz GMLIKHRSRYFUBJ-JTQLQIEISA-N 1 2 216.288 1.510 20 30 BDEDLO C#C[C@H]1CCCCN1c1cc(NC)nc[nH+]1 ZINC000897360424 583938574 /nfs/dbraw/zinc/93/85/74/583938574.db2.gz GMLIKHRSRYFUBJ-JTQLQIEISA-N 1 2 216.288 1.510 20 30 BDEDLO CC(=NN=c1cc[nH]cc1C)c1cn(C)c(C)[nH+]1 ZINC000863158249 583979823 /nfs/dbraw/zinc/97/98/23/583979823.db2.gz SSEYLTQBFXCPRN-UHFFFAOYSA-N 1 2 243.314 1.690 20 30 BDEDLO C[C@@H](C#N)CN(C)c1cc[nH+]c(CO)c1 ZINC000858349952 588948202 /nfs/dbraw/zinc/94/82/02/588948202.db2.gz UWJXTWNTFUBXTF-VIFPVBQESA-N 1 2 205.261 1.170 20 30 BDEDLO C[C@]1(C[N@@H+]2CCO[C@](C)(C#N)C2)CCCS1 ZINC000897586261 584021960 /nfs/dbraw/zinc/02/19/60/584021960.db2.gz JTOWLFPSADQQAA-VXGBXAGGSA-N 1 2 240.372 1.887 20 30 BDEDLO C[C@]1(C[N@H+]2CCO[C@](C)(C#N)C2)CCCS1 ZINC000897586261 584021963 /nfs/dbraw/zinc/02/19/63/584021963.db2.gz JTOWLFPSADQQAA-VXGBXAGGSA-N 1 2 240.372 1.887 20 30 BDEDLO C[C@]1(C#N)C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000897586237 584022186 /nfs/dbraw/zinc/02/21/86/584022186.db2.gz JGURZJHXUNMQRA-QWRGUYRKSA-N 1 2 226.345 1.354 20 30 BDEDLO C[C@]1(C#N)C[N@@H+](C[C@@H]2CCSC2)CCO1 ZINC000897586237 584022187 /nfs/dbraw/zinc/02/21/87/584022187.db2.gz JGURZJHXUNMQRA-QWRGUYRKSA-N 1 2 226.345 1.354 20 30 BDEDLO CC(C)c1c[nH]c(CN2CCO[C@](C)(C#N)C2)[nH+]1 ZINC000897588570 584023150 /nfs/dbraw/zinc/02/31/50/584023150.db2.gz GRZBYEQBKPGISW-CYBMUJFWSA-N 1 2 248.330 1.648 20 30 BDEDLO CC(C)c1c[nH]c(CN2CCO[C@@](C)(C#N)C2)[nH+]1 ZINC000897588571 584023331 /nfs/dbraw/zinc/02/33/31/584023331.db2.gz GRZBYEQBKPGISW-ZDUSSCGKSA-N 1 2 248.330 1.648 20 30 BDEDLO CCC[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000897834069 584052771 /nfs/dbraw/zinc/05/27/71/584052771.db2.gz GUDRMRMREXJFSI-GARJFASQSA-N 1 2 224.304 1.610 20 30 BDEDLO C#CC1(O)CN(CCCc2c[nH+]ccc2C)C1 ZINC000898145057 584086192 /nfs/dbraw/zinc/08/61/92/584086192.db2.gz TYZDKENIVNGHNT-UHFFFAOYSA-N 1 2 230.311 1.003 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898193691 584096398 /nfs/dbraw/zinc/09/63/98/584096398.db2.gz RJAMDCJRSFOFIB-QWRGUYRKSA-N 1 2 240.303 1.524 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898193691 584096399 /nfs/dbraw/zinc/09/63/99/584096399.db2.gz RJAMDCJRSFOFIB-QWRGUYRKSA-N 1 2 240.303 1.524 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000858465939 588957550 /nfs/dbraw/zinc/95/75/50/588957550.db2.gz QWCBUYPTRFLCCK-NSHDSACASA-N 1 2 248.330 1.528 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cn1 ZINC000730096675 584123179 /nfs/dbraw/zinc/12/31/79/584123179.db2.gz LPXDTHSJPHUCKB-LBPRGKRZSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cn1 ZINC000730096675 584123181 /nfs/dbraw/zinc/12/31/81/584123181.db2.gz LPXDTHSJPHUCKB-LBPRGKRZSA-N 1 2 243.310 1.426 20 30 BDEDLO CC(C)(C#N)CNc1cc[nH+]c(CO)c1 ZINC000858477023 588958944 /nfs/dbraw/zinc/95/89/44/588958944.db2.gz GEQDYCTTZSRXBG-UHFFFAOYSA-N 1 2 205.261 1.536 20 30 BDEDLO C=CC(C)(C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000898460076 584137383 /nfs/dbraw/zinc/13/73/83/584137383.db2.gz BJXWPVFSSCGTMF-UHFFFAOYSA-N 1 2 223.324 1.482 20 30 BDEDLO C=C1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000898695366 584154284 /nfs/dbraw/zinc/15/42/84/584154284.db2.gz XVVZEVNNFNARLD-UHFFFAOYSA-N 1 2 241.294 1.584 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2cnn(C)c2)c1 ZINC000899349606 584202975 /nfs/dbraw/zinc/20/29/75/584202975.db2.gz HHGWHMRVPDYXGR-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO CCn1c[nH+]c(/C=C2\C(=O)c3nccn3[C@@H]2C)c1 ZINC000899392224 584211300 /nfs/dbraw/zinc/21/13/00/584211300.db2.gz OXBXRNBSMOYLAM-NJQKBMNKSA-N 1 2 242.282 1.940 20 30 BDEDLO CCn1c[nH+]c(/C=C2/C(=O)c3nccn3[C@H]2C)c1 ZINC000899392222 584211313 /nfs/dbraw/zinc/21/13/13/584211313.db2.gz OXBXRNBSMOYLAM-CAXXOGMASA-N 1 2 242.282 1.940 20 30 BDEDLO C=CC[N@@H+](Cc1cn(CC)nn1)[C@H](C)COC ZINC000899883059 584246673 /nfs/dbraw/zinc/24/66/73/584246673.db2.gz URSPJBGIXYZNIQ-LLVKDONJSA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1cn(CC)nn1)[C@H](C)COC ZINC000899883059 584246674 /nfs/dbraw/zinc/24/66/74/584246674.db2.gz URSPJBGIXYZNIQ-LLVKDONJSA-N 1 2 238.335 1.321 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000899900798 584249495 /nfs/dbraw/zinc/24/94/95/584249495.db2.gz WAGFKTFLRDOEFR-GFCCVEGCSA-N 1 2 237.274 1.437 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2c(C)cccc2C)C1 ZINC000899901552 584250147 /nfs/dbraw/zinc/25/01/47/584250147.db2.gz OUGZNMQEDKBWLV-AWEZNQCLSA-N 1 2 247.338 1.915 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900567987 584326190 /nfs/dbraw/zinc/32/61/90/584326190.db2.gz PZNHVBHDIGKTNY-UHFFFAOYSA-N 1 2 232.287 1.104 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)CNc1cccc[nH+]1 ZINC000900638908 584335000 /nfs/dbraw/zinc/33/50/00/584335000.db2.gz SOXBHFNVTPYZCD-JTQLQIEISA-N 1 2 232.287 1.158 20 30 BDEDLO C=C(C)COCCNC(=O)CNc1cccc[nH+]1 ZINC000901082052 584382177 /nfs/dbraw/zinc/38/21/77/584382177.db2.gz ROQRUCQEVLTCDT-UHFFFAOYSA-N 1 2 249.314 1.202 20 30 BDEDLO C#CC[C@H](COC)Nc1cc[nH+]c2ccncc12 ZINC000858860705 588979676 /nfs/dbraw/zinc/97/96/76/588979676.db2.gz QNKSDGZVYSOCNE-LLVKDONJSA-N 1 2 241.294 1.502 20 30 BDEDLO C#CCCOC(=O)N(C)Cc1[nH+]ccn1C ZINC000858882451 588981608 /nfs/dbraw/zinc/98/16/08/588981608.db2.gz DQHFLAWNXJJLFZ-UHFFFAOYSA-N 1 2 221.260 1.012 20 30 BDEDLO C[C@H]1CC(NN=Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000901305811 584419872 /nfs/dbraw/zinc/41/98/72/584419872.db2.gz FRTKWHFLLRCTQW-UWVGGRQHSA-N 1 2 236.319 1.300 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNC1C[C@@H](C)O[C@H](C)C1 ZINC000901307610 584420262 /nfs/dbraw/zinc/42/02/62/584420262.db2.gz NONAXATUFWEQMU-RKDXNWHRSA-N 1 2 236.319 1.598 20 30 BDEDLO C[C@@H]1C[C@H]1C=[NH+]n1nnc2c1CCCC2 ZINC000901330991 584425050 /nfs/dbraw/zinc/42/50/50/584425050.db2.gz IASCNEXMYLDISC-BDAKNGLRSA-N 1 2 204.277 1.647 20 30 BDEDLO COC[C@@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901330985 584425141 /nfs/dbraw/zinc/42/51/41/584425141.db2.gz HSOKYFDOTKYZSY-VIFPVBQESA-N 1 2 222.292 1.273 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2cnn(C)c2)[nH+]c1C ZINC000901464316 584451291 /nfs/dbraw/zinc/45/12/91/584451291.db2.gz GVFCGELXEIKHQH-SNAWJCMRSA-N 1 2 230.271 1.656 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)nn1C ZINC000901505403 584455412 /nfs/dbraw/zinc/45/54/12/584455412.db2.gz BLYGEXDKKUZAFE-WAYWQWQTSA-N 1 2 244.298 1.841 20 30 BDEDLO Cc1cc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)n(C)n1 ZINC000901505715 584455824 /nfs/dbraw/zinc/45/58/24/584455824.db2.gz FMGLVMBUHUUNDN-AATRIKPKSA-N 1 2 244.298 1.965 20 30 BDEDLO Cn1c[nH+]cc1/C=C1\CCn2ccnc2C1=O ZINC000901540175 584461215 /nfs/dbraw/zinc/46/12/15/584461215.db2.gz WEVAYFQVVMEOCM-RMKNXTFCSA-N 1 2 228.255 1.287 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H](COC)C(C)C)C(=O)OC ZINC000901622158 584470148 /nfs/dbraw/zinc/47/01/48/584470148.db2.gz ASJQGAFMEFMLIL-QWRGUYRKSA-N 1 2 229.320 1.222 20 30 BDEDLO Cc1[nH]c(CNc2cc(C#N)ccn2)[nH+]c1C ZINC000902110482 584527088 /nfs/dbraw/zinc/52/70/88/584527088.db2.gz UFCTUIJPOKOULV-UHFFFAOYSA-N 1 2 227.271 1.905 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CCN(C2CCCC2)C1=O ZINC000902244415 584546539 /nfs/dbraw/zinc/54/65/39/584546539.db2.gz UDFQPGDNAIUSTN-LBPRGKRZSA-N 1 2 249.358 1.578 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CCN(C2CCCC2)C1=O ZINC000902244415 584546540 /nfs/dbraw/zinc/54/65/40/584546540.db2.gz UDFQPGDNAIUSTN-LBPRGKRZSA-N 1 2 249.358 1.578 20 30 BDEDLO CCn1c[nH+]c(CN[C@H](CC#N)C(F)(F)F)c1 ZINC000902654142 584651458 /nfs/dbraw/zinc/65/14/58/584651458.db2.gz CQPVDPOEBHHZST-SECBINFHSA-N 1 2 246.236 1.837 20 30 BDEDLO N#CC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859104645 589002701 /nfs/dbraw/zinc/00/27/01/589002701.db2.gz GGCZODKYKVWALO-UHFFFAOYSA-N 1 2 219.263 1.956 20 30 BDEDLO N#CC1(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000903105986 584727837 /nfs/dbraw/zinc/72/78/37/584727837.db2.gz KJNZVQSDWHBEQD-JTQLQIEISA-N 1 2 216.288 1.611 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000904208686 584847249 /nfs/dbraw/zinc/84/72/49/584847249.db2.gz GVFILVRNJXJXJL-SNVBAGLBSA-N 1 2 237.303 1.463 20 30 BDEDLO C#CCCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904261342 584859264 /nfs/dbraw/zinc/85/92/64/584859264.db2.gz DFPLWQBPVORXCL-UHFFFAOYSA-N 1 2 242.282 1.978 20 30 BDEDLO C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)CO1 ZINC000842529136 584898318 /nfs/dbraw/zinc/89/83/18/584898318.db2.gz PGXLVZXQJFWJPD-MIMYLULJSA-N 1 2 236.319 1.011 20 30 BDEDLO C[C@@H]1CC(=N[NH+]=C2N[C@H]3CCCC[C@@H]3N2)CO1 ZINC000842529136 584898319 /nfs/dbraw/zinc/89/83/19/584898319.db2.gz PGXLVZXQJFWJPD-MIMYLULJSA-N 1 2 236.319 1.011 20 30 BDEDLO C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CO1 ZINC000842529136 584898321 /nfs/dbraw/zinc/89/83/21/584898321.db2.gz PGXLVZXQJFWJPD-MIMYLULJSA-N 1 2 236.319 1.011 20 30 BDEDLO N#Cc1ccc(-n2c[nH+]c(CCCO)c2)nc1 ZINC000731903130 584931060 /nfs/dbraw/zinc/93/10/60/584931060.db2.gz ZIBZNYFJLUMPHQ-UHFFFAOYSA-N 1 2 228.255 1.064 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CN1C[C@H](C)CC1=O ZINC000733293897 584946210 /nfs/dbraw/zinc/94/62/10/584946210.db2.gz OTASOVLVHUTYNI-GFCCVEGCSA-N 1 2 237.347 1.684 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CN1C[C@H](C)CC1=O ZINC000733293897 584946211 /nfs/dbraw/zinc/94/62/11/584946211.db2.gz OTASOVLVHUTYNI-GFCCVEGCSA-N 1 2 237.347 1.684 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@H](C)c1ccncc1 ZINC000819819004 585008364 /nfs/dbraw/zinc/00/83/64/585008364.db2.gz RALDWYFAVLWWCP-LLVKDONJSA-N 1 2 243.314 1.983 20 30 BDEDLO C#CCOCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000823836041 585028378 /nfs/dbraw/zinc/02/83/78/585028378.db2.gz AAUSYAJVGAMHRD-UHFFFAOYSA-N 1 2 232.283 1.677 20 30 BDEDLO C#CCOc1ccccc1C[NH+]1CC(OC)C1 ZINC000839128214 585093780 /nfs/dbraw/zinc/09/37/80/585093780.db2.gz OFXWPXZBBDSPKO-UHFFFAOYSA-N 1 2 231.295 1.529 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2ccc(C#N)o2)C1 ZINC000839132787 585093937 /nfs/dbraw/zinc/09/39/37/585093937.db2.gz LREIASVQAOSXDO-UHFFFAOYSA-N 1 2 220.272 1.354 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)C(=O)OC ZINC000839167316 585095216 /nfs/dbraw/zinc/09/52/16/585095216.db2.gz FBSQMDKAJSTDDC-ZRUFSTJUSA-N 1 2 209.289 1.185 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)OC ZINC000839167308 585095269 /nfs/dbraw/zinc/09/52/69/585095269.db2.gz FBIGMQHWYOTFTF-OCCSQVGLSA-N 1 2 245.322 1.945 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCCCCC1)C(=O)OC ZINC000839170183 585095906 /nfs/dbraw/zinc/09/59/06/585095906.db2.gz YUYODVJLXDMOJE-GFCCVEGCSA-N 1 2 223.316 1.864 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C(=O)OC ZINC000839169962 585095938 /nfs/dbraw/zinc/09/59/38/585095938.db2.gz VDPJNFAVUSNRKN-MXWKQRLJSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000839169160 585096045 /nfs/dbraw/zinc/09/60/45/585096045.db2.gz PHUVLBHPIQKDAO-LOWDOPEQSA-N 1 2 237.343 1.966 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000839170139 585096114 /nfs/dbraw/zinc/09/61/14/585096114.db2.gz YASACHJTXXTVKU-UTUOFQBUSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000839169162 585096148 /nfs/dbraw/zinc/09/61/48/585096148.db2.gz PHUVLBHPIQKDAO-MROQNXINSA-N 1 2 237.343 1.966 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOc1ccc(C)cc1 ZINC000839194598 585097724 /nfs/dbraw/zinc/09/77/24/585097724.db2.gz BCCNKYXDNDVTBO-AWEZNQCLSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOc1ccc(C)cc1 ZINC000839194598 585097725 /nfs/dbraw/zinc/09/77/25/585097725.db2.gz BCCNKYXDNDVTBO-AWEZNQCLSA-N 1 2 245.322 1.708 20 30 BDEDLO C#CC[NH+](CC#C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000839500593 585105623 /nfs/dbraw/zinc/10/56/23/585105623.db2.gz LYDZCVGQUXERKS-UHFFFAOYSA-N 1 2 248.326 1.174 20 30 BDEDLO C[C@@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000746160015 585164180 /nfs/dbraw/zinc/16/41/80/585164180.db2.gz VJBFFTKHYPWVLQ-WDEREUQCSA-N 1 2 248.330 1.574 20 30 BDEDLO C=CCCCC(=O)OCC[NH+]1CCOCC1 ZINC000748239062 585189641 /nfs/dbraw/zinc/18/96/41/585189641.db2.gz CCIHWIJUSXVIIV-UHFFFAOYSA-N 1 2 227.304 1.218 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](CCC#N)CC1CC1 ZINC000748821446 585197037 /nfs/dbraw/zinc/19/70/37/585197037.db2.gz QRDXHHLFMYOSMU-WDZFZDKYSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](CCC#N)CC1CC1 ZINC000748821446 585197038 /nfs/dbraw/zinc/19/70/38/585197038.db2.gz QRDXHHLFMYOSMU-WDZFZDKYSA-N 1 2 236.315 1.731 20 30 BDEDLO Cc1ccc(NC(=O)[C@H](C)C#N)c(N(C)C)[nH+]1 ZINC000750530726 585216871 /nfs/dbraw/zinc/21/68/71/585216871.db2.gz OUSSVLYRKQCVSP-MRVPVSSYSA-N 1 2 232.287 1.554 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000750863886 585220686 /nfs/dbraw/zinc/22/06/86/585220686.db2.gz HOGZMPUXZPQEIE-LBPRGKRZSA-N 1 2 247.342 1.869 20 30 BDEDLO CC[N@H+](CC#N)CC1CCC2(CC1)OCCO2 ZINC000753710171 585266769 /nfs/dbraw/zinc/26/67/69/585266769.db2.gz OZKJENQQCADCDM-UHFFFAOYSA-N 1 2 238.331 1.765 20 30 BDEDLO CC[N@@H+](CC#N)CC1CCC2(CC1)OCCO2 ZINC000753710171 585266770 /nfs/dbraw/zinc/26/67/70/585266770.db2.gz OZKJENQQCADCDM-UHFFFAOYSA-N 1 2 238.331 1.765 20 30 BDEDLO CCC(COC)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934381 585272086 /nfs/dbraw/zinc/27/20/86/585272086.db2.gz IDVHWZYFFNJELT-GHMZBOCLSA-N 1 2 238.335 1.259 20 30 BDEDLO C#CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000753958965 585273199 /nfs/dbraw/zinc/27/31/99/585273199.db2.gz QJMKAMZCRVHQAU-UHFFFAOYSA-N 1 2 243.241 1.261 20 30 BDEDLO Cc1ccc2[nH+]cc(C=NN3CCOCC3)n2c1 ZINC000755489969 585300734 /nfs/dbraw/zinc/30/07/34/585300734.db2.gz ANBXFRIMHAAJDV-UHFFFAOYSA-N 1 2 244.298 1.309 20 30 BDEDLO c1[nH+]c2ccccn2c1CN=Nc1ncccn1 ZINC000755635355 585302979 /nfs/dbraw/zinc/30/29/79/585302979.db2.gz XTCUJOUJZZYSRO-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO COc1ccc(CNN=Cc2c[nH+]cn2C)cc1 ZINC000755654905 585303519 /nfs/dbraw/zinc/30/35/19/585303519.db2.gz MWRMJRQGFAFZAX-UHFFFAOYSA-N 1 2 244.298 1.552 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2[nH]c[nH+]c2C)o1 ZINC000755662121 585303821 /nfs/dbraw/zinc/30/38/21/585303821.db2.gz XCGTZUWFYJEESF-UHFFFAOYSA-N 1 2 230.231 1.332 20 30 BDEDLO C#CCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839583978 585330863 /nfs/dbraw/zinc/33/08/63/585330863.db2.gz DAQAQSWEZDBPJN-UHFFFAOYSA-N 1 2 225.723 1.837 20 30 BDEDLO C#CCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839583978 585330864 /nfs/dbraw/zinc/33/08/64/585330864.db2.gz DAQAQSWEZDBPJN-UHFFFAOYSA-N 1 2 225.723 1.837 20 30 BDEDLO C=CC[N@H+](Cn1cccc(C#N)c1=O)C1CC1 ZINC000758248118 585352802 /nfs/dbraw/zinc/35/28/02/585352802.db2.gz KMSCRJZQHBRVKE-UHFFFAOYSA-N 1 2 229.283 1.328 20 30 BDEDLO C=CC[N@@H+](Cn1cccc(C#N)c1=O)C1CC1 ZINC000758248118 585352803 /nfs/dbraw/zinc/35/28/03/585352803.db2.gz KMSCRJZQHBRVKE-UHFFFAOYSA-N 1 2 229.283 1.328 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C=C(CC)CC)CC1 ZINC000759217358 585365673 /nfs/dbraw/zinc/36/56/73/585365673.db2.gz AEODAQTUMQYXGQ-UHFFFAOYSA-N 1 2 234.343 1.510 20 30 BDEDLO C#CCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000760341998 585390878 /nfs/dbraw/zinc/39/08/78/585390878.db2.gz JWBROKCHPZGMSH-LLVKDONJSA-N 1 2 243.310 1.852 20 30 BDEDLO C#CCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000760842619 585399357 /nfs/dbraw/zinc/39/93/57/585399357.db2.gz BJBYZYNORXIATC-UHFFFAOYSA-N 1 2 214.272 1.184 20 30 BDEDLO C#CCC[N@H+](C)Cc1nnc2ccccn21 ZINC000760842619 585399358 /nfs/dbraw/zinc/39/93/58/585399358.db2.gz BJBYZYNORXIATC-UHFFFAOYSA-N 1 2 214.272 1.184 20 30 BDEDLO Cn1ccc(CC/[NH+]=C/c2cccc(O)c2O)n1 ZINC000761015794 585403665 /nfs/dbraw/zinc/40/36/65/585403665.db2.gz RBGWPICAQOFARK-NTEUORMPSA-N 1 2 245.282 1.493 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000762919040 585439429 /nfs/dbraw/zinc/43/94/29/585439429.db2.gz RQXMGLDGVFGLPH-CYBMUJFWSA-N 1 2 234.299 1.770 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000762919040 585439430 /nfs/dbraw/zinc/43/94/30/585439430.db2.gz RQXMGLDGVFGLPH-CYBMUJFWSA-N 1 2 234.299 1.770 20 30 BDEDLO Nc1[nH+]cccc1CN=Nc1cncc(Cl)n1 ZINC000764682839 585470848 /nfs/dbraw/zinc/47/08/48/585470848.db2.gz IMMIFDHXESTOLQ-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C/C(=C/C)CC)CC1 ZINC000765525400 585489174 /nfs/dbraw/zinc/48/91/74/585489174.db2.gz GMQDBAXHWUWFRG-LBCKLQKASA-N 1 2 246.354 1.676 20 30 BDEDLO C#CCC(C)(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000767067119 585513253 /nfs/dbraw/zinc/51/32/53/585513253.db2.gz KSNQLFHCHSROSN-UHFFFAOYSA-N 1 2 247.342 1.829 20 30 BDEDLO C#C[C@H](CC)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000768046206 585530430 /nfs/dbraw/zinc/53/04/30/585530430.db2.gz FFRJSXJFJJPHLD-GFCCVEGCSA-N 1 2 242.278 1.832 20 30 BDEDLO Cc1cccc(F)c1N[NH+]=Cc1cnc(N)nc1 ZINC000769841874 585565303 /nfs/dbraw/zinc/56/53/03/585565303.db2.gz WYAZUUWLVSXBLZ-UHFFFAOYSA-N 1 2 245.261 1.952 20 30 BDEDLO C[C@H](C#N)COC(=O)Cc1cn2ccccc2[nH+]1 ZINC000770927412 585584591 /nfs/dbraw/zinc/58/45/91/585584591.db2.gz HBMMTXOVZVNZMO-SNVBAGLBSA-N 1 2 243.266 1.580 20 30 BDEDLO C=CC[N@@H+]([C@H](C)C(=O)OCCC)C1CC1 ZINC000772383183 585614024 /nfs/dbraw/zinc/61/40/24/585614024.db2.gz UJKYTCJKRRRIBY-SNVBAGLBSA-N 1 2 211.305 1.979 20 30 BDEDLO C=CC[N@H+]([C@H](C)C(=O)OCCC)C1CC1 ZINC000772383183 585614025 /nfs/dbraw/zinc/61/40/25/585614025.db2.gz UJKYTCJKRRRIBY-SNVBAGLBSA-N 1 2 211.305 1.979 20 30 BDEDLO C#C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000775381303 585676877 /nfs/dbraw/zinc/67/68/77/585676877.db2.gz FVPGDIBIXMFGDP-VIFPVBQESA-N 1 2 213.240 1.086 20 30 BDEDLO COCC#CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000775681726 585683179 /nfs/dbraw/zinc/68/31/79/585683179.db2.gz SEHIIKVAUPHDNQ-UHFFFAOYSA-N 1 2 236.246 1.112 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccc(C)n1)[C@@H]1CCCO1 ZINC000775798422 585685311 /nfs/dbraw/zinc/68/53/11/585685311.db2.gz HFGCNXWRSCQEMG-RYUDHWBXSA-N 1 2 231.299 1.055 20 30 BDEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cscn1 ZINC000776191782 585692507 /nfs/dbraw/zinc/69/25/07/585692507.db2.gz KFOPXVHDWJYFMJ-OWOJBTEDSA-N 1 2 205.242 1.762 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)Cn1cnnc1 ZINC000776758892 585704410 /nfs/dbraw/zinc/70/44/10/585704410.db2.gz SLEAMWGETUAWDI-UHFFFAOYSA-N 1 2 221.308 1.497 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)Cn1cnnc1 ZINC000776758892 585704411 /nfs/dbraw/zinc/70/44/11/585704411.db2.gz SLEAMWGETUAWDI-UHFFFAOYSA-N 1 2 221.308 1.497 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000777541761 585714576 /nfs/dbraw/zinc/71/45/76/585714576.db2.gz ROLTXQSALYBQGR-GFCCVEGCSA-N 1 2 224.304 1.237 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000777541761 585714577 /nfs/dbraw/zinc/71/45/77/585714577.db2.gz ROLTXQSALYBQGR-GFCCVEGCSA-N 1 2 224.304 1.237 20 30 BDEDLO C#CCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000780501326 585779679 /nfs/dbraw/zinc/77/96/79/585779679.db2.gz IOMONFWYAUZIMA-UHFFFAOYSA-N 1 2 219.288 1.610 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2cccc(F)c2)cn1 ZINC000781587519 585799815 /nfs/dbraw/zinc/79/98/15/585799815.db2.gz FFFWPHUHXGWSGX-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO N#Cc1cccc(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781587405 585799927 /nfs/dbraw/zinc/79/99/27/585799927.db2.gz YYHOOAVWNCODFH-UHFFFAOYSA-N 1 2 238.254 1.376 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2ncccc2Cl)cn1 ZINC000781589271 585799970 /nfs/dbraw/zinc/79/99/70/585799970.db2.gz FVGCVXPBEVMCPV-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO Cn1c[nH+]cc1C=NN1Cc2ccccc2C1=O ZINC000781595544 585800241 /nfs/dbraw/zinc/80/02/41/585800241.db2.gz SPMSFEKKDJDVAS-UHFFFAOYSA-N 1 2 240.266 1.410 20 30 BDEDLO N#CCCCCCC(=O)OCCn1cc[nH+]c1 ZINC000805698073 585802529 /nfs/dbraw/zinc/80/25/29/585802529.db2.gz QUCXPZUWUKMWQM-UHFFFAOYSA-N 1 2 235.287 1.900 20 30 BDEDLO Cn1c[nH+]cc1C=NN[C@H]1CCCC1(C)C ZINC000782290492 585813809 /nfs/dbraw/zinc/81/38/09/585813809.db2.gz YUXUPWREGOTEMA-NSHDSACASA-N 1 2 220.320 1.922 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000784381840 585857792 /nfs/dbraw/zinc/85/77/92/585857792.db2.gz NZUHVGYVPJOMOS-GFCCVEGCSA-N 1 2 240.322 1.148 20 30 BDEDLO C=C(Cl)C[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000786194662 585888411 /nfs/dbraw/zinc/88/84/11/585888411.db2.gz VYCZHZBZEFEYKN-SNVBAGLBSA-N 1 2 219.712 1.476 20 30 BDEDLO C=C(Cl)C[N@H+](CCOC)[C@@H]1CCOC1 ZINC000786194662 585888412 /nfs/dbraw/zinc/88/84/12/585888412.db2.gz VYCZHZBZEFEYKN-SNVBAGLBSA-N 1 2 219.712 1.476 20 30 BDEDLO C#CCCC/[NH+]=C/c1cccc(O)c1O ZINC000788675790 585928986 /nfs/dbraw/zinc/92/89/86/585928986.db2.gz ZKAJHNNRAVJDGV-UKTHLTGXSA-N 1 2 203.241 1.930 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)CCCCCC#N ZINC000805889425 585942574 /nfs/dbraw/zinc/94/25/74/585942574.db2.gz DDGNLOGKFYFILD-UHFFFAOYSA-N 1 2 235.287 1.937 20 30 BDEDLO CC(C)(C#N)CCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613486 585945633 /nfs/dbraw/zinc/94/56/33/585945633.db2.gz XTOPBOLTZSJWRO-SNVBAGLBSA-N 1 2 239.319 1.994 20 30 BDEDLO COc1ccnc(N=NC(C)c2[nH]cc[nH+]2)n1 ZINC000790153030 585958749 /nfs/dbraw/zinc/95/87/49/585958749.db2.gz BEZROUJGTREYGM-UHFFFAOYSA-N 1 2 232.247 1.044 20 30 BDEDLO CC(N=Nc1ccc(F)cn1)c1[nH]cc[nH+]1 ZINC000790161485 585958976 /nfs/dbraw/zinc/95/89/76/585958976.db2.gz GXVGBGBNSYCNRY-UHFFFAOYSA-N 1 2 219.223 1.780 20 30 BDEDLO COc1cc(C(C)=NNc2[nH+]ccn2C)ccn1 ZINC000790300229 585962884 /nfs/dbraw/zinc/96/28/84/585962884.db2.gz PKSHYQVIMWEJAB-UHFFFAOYSA-N 1 2 245.286 1.660 20 30 BDEDLO Cn1cccc1C=NNc1[nH+]ccn1C ZINC000790302409 585962995 /nfs/dbraw/zinc/96/29/95/585962995.db2.gz SAXXRMGNYNBFGQ-UHFFFAOYSA-N 1 2 203.249 1.205 20 30 BDEDLO C=C(CO)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000791341521 585978047 /nfs/dbraw/zinc/97/80/47/585978047.db2.gz SBUMBXGNMAGKSU-JTQLQIEISA-N 1 2 235.287 1.012 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859281838 589027013 /nfs/dbraw/zinc/02/70/13/589027013.db2.gz XVQSDTNNRHTMHK-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859281838 589027014 /nfs/dbraw/zinc/02/70/14/589027014.db2.gz XVQSDTNNRHTMHK-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000792470803 586000951 /nfs/dbraw/zinc/00/09/51/586000951.db2.gz OUIXGQSJCJEWMU-NXEZZACHSA-N 1 2 233.319 1.461 20 30 BDEDLO C=CCCCC(=O)OCCc1c[nH+]cn1C ZINC000793254965 586015343 /nfs/dbraw/zinc/01/53/43/586015343.db2.gz XRAUFTUTIQVNNM-UHFFFAOYSA-N 1 2 222.288 1.862 20 30 BDEDLO COCCCNN=Cc1cccc2[nH+]ccn21 ZINC000794542451 586043022 /nfs/dbraw/zinc/04/30/22/586043022.db2.gz JSVBULFJSMZIPG-UHFFFAOYSA-N 1 2 232.287 1.294 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000794744930 586047861 /nfs/dbraw/zinc/04/78/61/586047861.db2.gz KBTPGIRBHFGQLJ-NSHDSACASA-N 1 2 234.299 1.484 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000794744930 586047862 /nfs/dbraw/zinc/04/78/62/586047862.db2.gz KBTPGIRBHFGQLJ-NSHDSACASA-N 1 2 234.299 1.484 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1cccc(F)n1 ZINC000795006643 586064500 /nfs/dbraw/zinc/06/45/00/586064500.db2.gz FLTZWKQFZRUEHF-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)[C@@H]1CC(C)(C)OC1=O ZINC000795684093 586091147 /nfs/dbraw/zinc/09/11/47/586091147.db2.gz IBLIXBIFVVZIDS-SNVBAGLBSA-N 1 2 238.331 1.952 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CC(C)(C)OC1=O ZINC000795684093 586091148 /nfs/dbraw/zinc/09/11/48/586091148.db2.gz IBLIXBIFVVZIDS-SNVBAGLBSA-N 1 2 238.331 1.952 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)OCc1c[nH+]cn1C ZINC000797951763 586134586 /nfs/dbraw/zinc/13/45/86/586134586.db2.gz OHAKYDXWOHIDTH-UHFFFAOYSA-N 1 2 245.238 1.550 20 30 BDEDLO Cn1c[nH+]c(/C=C2\Oc3cc(O)ccc3C2=O)c1 ZINC000798231122 586141302 /nfs/dbraw/zinc/14/13/02/586141302.db2.gz GBFOKCANNQCDNK-QCDXTXTGSA-N 1 2 242.234 1.742 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000798419564 586143587 /nfs/dbraw/zinc/14/35/87/586143587.db2.gz MGNIZZFJLVNJBN-LLVKDONJSA-N 1 2 233.315 1.786 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](CCC#N)CC(C)C)C1=O ZINC000799124696 586159747 /nfs/dbraw/zinc/15/97/47/586159747.db2.gz PRDUMHGZBYDHQC-ZDUSSCGKSA-N 1 2 249.358 1.645 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](CCC#N)CC(C)C)C1=O ZINC000799124696 586159748 /nfs/dbraw/zinc/15/97/48/586159748.db2.gz PRDUMHGZBYDHQC-ZDUSSCGKSA-N 1 2 249.358 1.645 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799299048 586169512 /nfs/dbraw/zinc/16/95/12/586169512.db2.gz TWUQUXBTCHYRFT-JOYOIKCWSA-N 1 2 237.278 1.346 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799299048 586169514 /nfs/dbraw/zinc/16/95/14/586169514.db2.gz TWUQUXBTCHYRFT-JOYOIKCWSA-N 1 2 237.278 1.346 20 30 BDEDLO CC1(C)CCC[C@@H]1[NH2+]NC1=CC(=O)N2CCC[C@H]12 ZINC000799487355 586179882 /nfs/dbraw/zinc/17/98/82/586179882.db2.gz LAZKKIKFAXPLPY-NEPJUHHUSA-N 1 2 249.358 1.905 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000800336436 586212592 /nfs/dbraw/zinc/21/25/92/586212592.db2.gz OHOGGOMKQPCYTG-LBPRGKRZSA-N 1 2 249.314 1.317 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](CC)CCc1ccccn1 ZINC000800354852 586213480 /nfs/dbraw/zinc/21/34/80/586213480.db2.gz HANQJWGIBGGDPY-CYBMUJFWSA-N 1 2 248.326 1.674 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)CCc1ccccn1 ZINC000800354852 586213483 /nfs/dbraw/zinc/21/34/83/586213483.db2.gz HANQJWGIBGGDPY-CYBMUJFWSA-N 1 2 248.326 1.674 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000801913182 586276165 /nfs/dbraw/zinc/27/61/65/586276165.db2.gz RJMROHJMQBUYHG-NWDGAFQWSA-N 1 2 248.330 1.518 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000801913182 586276166 /nfs/dbraw/zinc/27/61/66/586276166.db2.gz RJMROHJMQBUYHG-NWDGAFQWSA-N 1 2 248.330 1.518 20 30 BDEDLO CCC[C@@](C)([NH2+]CCO[C@H](C)C#N)C(=O)OC ZINC000801922451 586277412 /nfs/dbraw/zinc/27/74/12/586277412.db2.gz WNOCOTIYPJULLC-ZYHUDNBSSA-N 1 2 242.319 1.236 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCO[C@@H](C)C#N ZINC000801927347 586277702 /nfs/dbraw/zinc/27/77/02/586277702.db2.gz NJUZEGLKARENQT-WDEREUQCSA-N 1 2 242.319 1.187 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801927347 586277703 /nfs/dbraw/zinc/27/77/03/586277703.db2.gz NJUZEGLKARENQT-WDEREUQCSA-N 1 2 242.319 1.187 20 30 BDEDLO Cc1ccccc1C(N)=[NH+]OCCO[C@H](C)C#N ZINC000802724337 586311479 /nfs/dbraw/zinc/31/14/79/586311479.db2.gz ABKBWGPKJPDFJB-LLVKDONJSA-N 1 2 247.298 1.770 20 30 BDEDLO C=CCCCC(=O)OC1C[NH+](CCOCC)C1 ZINC000802774923 586313226 /nfs/dbraw/zinc/31/32/26/586313226.db2.gz ZLRCHOGGJTZUMS-UHFFFAOYSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CCN1CCN(C[NH+]2CCC(C#N)CC2)C1=O ZINC000839980722 586318689 /nfs/dbraw/zinc/31/86/89/586318689.db2.gz YKEWZGRPBTVGKH-UHFFFAOYSA-N 1 2 248.330 1.103 20 30 BDEDLO C=CCCC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495045 586361495 /nfs/dbraw/zinc/36/14/95/586361495.db2.gz LHQBGRCONPNYOU-LBPRGKRZSA-N 1 2 241.331 1.651 20 30 BDEDLO C=C(C)C[N@H+](C)CN1Cc2cccnc2C1=O ZINC000840039546 586390412 /nfs/dbraw/zinc/39/04/12/586390412.db2.gz AUBOABXJSMGQNE-UHFFFAOYSA-N 1 2 231.299 1.503 20 30 BDEDLO C=C(C)C[N@@H+](C)CN1Cc2cccnc2C1=O ZINC000840039546 586390415 /nfs/dbraw/zinc/39/04/15/586390415.db2.gz AUBOABXJSMGQNE-UHFFFAOYSA-N 1 2 231.299 1.503 20 30 BDEDLO C#C[C@H](CC)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000806288991 586408584 /nfs/dbraw/zinc/40/85/84/586408584.db2.gz BKSRIOARBRYVGE-SNVBAGLBSA-N 1 2 242.282 1.868 20 30 BDEDLO Cc1ccnc(N[NH+]=Cc2ccc(N)nc2)c1 ZINC000807977714 586454238 /nfs/dbraw/zinc/45/42/38/586454238.db2.gz XTGCLFVFIPWVCH-UHFFFAOYSA-N 1 2 227.271 1.813 20 30 BDEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000808150360 586464668 /nfs/dbraw/zinc/46/46/68/586464668.db2.gz XUDUZFJDDSWUMR-AWEZNQCLSA-N 1 2 249.358 1.828 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(C)n1)C1CCCCC1 ZINC000809936749 586524624 /nfs/dbraw/zinc/52/46/24/586524624.db2.gz OGELVYVBXIELPW-UHFFFAOYSA-N 1 2 232.331 1.583 20 30 BDEDLO C#CC[N@H+](Cc1cnn(C)n1)C1CCCCC1 ZINC000809936749 586524626 /nfs/dbraw/zinc/52/46/26/586524626.db2.gz OGELVYVBXIELPW-UHFFFAOYSA-N 1 2 232.331 1.583 20 30 BDEDLO CNC(=S)NN=C(C)c1ccc(C)[nH+]c1C ZINC000814692375 586629423 /nfs/dbraw/zinc/62/94/23/586629423.db2.gz TYOYDMBKHRWQNL-UHFFFAOYSA-N 1 2 236.344 1.516 20 30 BDEDLO Cc1cccc(C=NNc2[nH+]ccn2C)c1O ZINC000814918596 586650545 /nfs/dbraw/zinc/65/05/45/586650545.db2.gz WIEMRVFLBBLRTA-UHFFFAOYSA-N 1 2 230.271 1.880 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000820435327 587048835 /nfs/dbraw/zinc/04/88/35/587048835.db2.gz IEJMSYVSNBEZPO-GHMZBOCLSA-N 1 2 246.314 1.320 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1NCCCO ZINC000820599279 587058180 /nfs/dbraw/zinc/05/81/80/587058180.db2.gz SBLGQABDNFDIAH-UHFFFAOYSA-N 1 2 234.299 1.668 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC000821597707 587131673 /nfs/dbraw/zinc/13/16/73/587131673.db2.gz DOIJRGFMGRNMQV-UHFFFAOYSA-N 1 2 242.286 1.212 20 30 BDEDLO CC(C)C[C@H](C(=O)NCCC#N)n1cc[nH+]c1 ZINC000822502412 587172422 /nfs/dbraw/zinc/17/24/22/587172422.db2.gz OKWSRPBHPUPPOT-LLVKDONJSA-N 1 2 234.303 1.500 20 30 BDEDLO CO[C@@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)C1CC1 ZINC000822622120 587177908 /nfs/dbraw/zinc/17/79/08/587177908.db2.gz STXRUDRRAANGME-KGLIPLIRSA-N 1 2 249.358 1.084 20 30 BDEDLO CO[C@@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)C1CC1 ZINC000822622120 587177909 /nfs/dbraw/zinc/17/79/09/587177909.db2.gz STXRUDRRAANGME-KGLIPLIRSA-N 1 2 249.358 1.084 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000822667506 587180060 /nfs/dbraw/zinc/18/00/60/587180060.db2.gz XBBZYBYPBOIMLA-MXWKQRLJSA-N 1 2 231.299 1.287 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000822667506 587180061 /nfs/dbraw/zinc/18/00/61/587180061.db2.gz XBBZYBYPBOIMLA-MXWKQRLJSA-N 1 2 231.299 1.287 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2ccsc2C)CC1 ZINC000823306724 587215693 /nfs/dbraw/zinc/21/56/93/587215693.db2.gz XHTUWEGZAXXZMF-UHFFFAOYSA-N 1 2 248.351 1.448 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824232230 587261681 /nfs/dbraw/zinc/26/16/81/587261681.db2.gz GUUPQCNTFRDUQK-IWSPIJDZSA-N 1 2 221.260 1.136 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824232230 587261682 /nfs/dbraw/zinc/26/16/82/587261682.db2.gz GUUPQCNTFRDUQK-IWSPIJDZSA-N 1 2 221.260 1.136 20 30 BDEDLO N#CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000824984522 587297284 /nfs/dbraw/zinc/29/72/84/587297284.db2.gz YMQVZWKMZXWLAK-UHFFFAOYSA-N 1 2 232.287 1.295 20 30 BDEDLO C=CCCONC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825566518 587325606 /nfs/dbraw/zinc/32/56/06/587325606.db2.gz XWLDFFGJPVRAML-AATRIKPKSA-N 1 2 221.260 1.057 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC000825891961 587344390 /nfs/dbraw/zinc/34/43/90/587344390.db2.gz ZFKVWGUMNRYUPF-UHFFFAOYSA-N 1 2 232.327 1.264 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc(F)nc2)C1 ZINC000826990191 587367109 /nfs/dbraw/zinc/36/71/09/587367109.db2.gz BYOHPIVRJULGDD-UHFFFAOYSA-N 1 2 205.236 1.566 20 30 BDEDLO C#CCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163847 587485523 /nfs/dbraw/zinc/48/55/23/587485523.db2.gz YBWYDCLIQUQLFV-UHFFFAOYSA-N 1 2 221.691 1.511 20 30 BDEDLO C#CCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163847 587485525 /nfs/dbraw/zinc/48/55/25/587485525.db2.gz YBWYDCLIQUQLFV-UHFFFAOYSA-N 1 2 221.691 1.511 20 30 BDEDLO CC[C@@H]1C[C@H](C=[NH+]n2ccnn2)CCO1 ZINC000835010521 587777460 /nfs/dbraw/zinc/77/74/60/587777460.db2.gz BOBHKCKPRXHNBP-NXEZZACHSA-N 1 2 208.265 1.317 20 30 BDEDLO CC[C@H]1C[C@H](C=[NH+]n2ccnn2)CCO1 ZINC000835010525 587777531 /nfs/dbraw/zinc/77/75/31/587777531.db2.gz BOBHKCKPRXHNBP-ZJUUUORDSA-N 1 2 208.265 1.317 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@@H]1CCOC1(C)C ZINC000835016393 587778504 /nfs/dbraw/zinc/77/85/04/587778504.db2.gz FUMIIWGBQJNYTH-SNVBAGLBSA-N 1 2 222.292 1.209 20 30 BDEDLO C#CCCCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000836330295 587830842 /nfs/dbraw/zinc/83/08/42/587830842.db2.gz OVYYKVJKSNCOOY-NSHDSACASA-N 1 2 248.330 1.677 20 30 BDEDLO COC(=O)[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000840712539 587917466 /nfs/dbraw/zinc/91/74/66/587917466.db2.gz JEVQSFYEYYAQPZ-LLYFHWLTSA-N 1 2 233.267 1.763 20 30 BDEDLO COC(=O)[C@H]1C[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000840712540 587917744 /nfs/dbraw/zinc/91/77/44/587917744.db2.gz JEVQSFYEYYAQPZ-OEQVGQMSSA-N 1 2 233.267 1.763 20 30 BDEDLO OC[C@@H]1CCCN1N=Cc1cccc2[nH+]ccn21 ZINC000841662475 587970911 /nfs/dbraw/zinc/97/09/11/587970911.db2.gz XBTNHMQYESZMKJ-LBPRGKRZSA-N 1 2 244.298 1.125 20 30 BDEDLO C=CCOCCO[NH+]=C(N)Cc1cccs1 ZINC000842028863 587990390 /nfs/dbraw/zinc/99/03/90/587990390.db2.gz XZCQJXKEQNCABZ-UHFFFAOYSA-N 1 2 240.328 1.992 20 30 BDEDLO C=CCCCCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000842030097 587991062 /nfs/dbraw/zinc/99/10/62/587991062.db2.gz PXXKNAOUFADMJT-UHFFFAOYSA-N 1 2 241.335 1.756 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000842154372 588003573 /nfs/dbraw/zinc/00/35/73/588003573.db2.gz SRHLIRDDWRCLEZ-APPZFPTMSA-N 1 2 205.286 1.609 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000842154372 588003575 /nfs/dbraw/zinc/00/35/75/588003575.db2.gz SRHLIRDDWRCLEZ-APPZFPTMSA-N 1 2 205.286 1.609 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000844006678 588155503 /nfs/dbraw/zinc/15/55/03/588155503.db2.gz ZEGBDBUUYNEYFK-LBPRGKRZSA-N 1 2 245.326 1.604 20 30 BDEDLO C[C@@H]1CC/C(=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000844527742 588200673 /nfs/dbraw/zinc/20/06/73/588200673.db2.gz BQRFSHQRYMFKMD-VXYVMLOTSA-N 1 2 249.358 1.693 20 30 BDEDLO CC/C(C)=C(/C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844526728 588200961 /nfs/dbraw/zinc/20/09/61/588200961.db2.gz HUORQABYKQITGB-OEYXZAGESA-N 1 2 237.347 1.693 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844702328 588214342 /nfs/dbraw/zinc/21/43/42/588214342.db2.gz YIDIWPIRULGNKW-UHFFFAOYSA-N 1 2 208.305 1.607 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)CC12CCCC2 ZINC000844702328 588214344 /nfs/dbraw/zinc/21/43/44/588214344.db2.gz YIDIWPIRULGNKW-UHFFFAOYSA-N 1 2 208.305 1.607 20 30 BDEDLO CC#CCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283868 588225713 /nfs/dbraw/zinc/22/57/13/588225713.db2.gz IHCAVBIPRLDTHC-LLVKDONJSA-N 1 2 220.272 1.791 20 30 BDEDLO C[C@@H](CC#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845468517 588229773 /nfs/dbraw/zinc/22/97/73/588229773.db2.gz MWBDJNLATXZWDL-UWVGGRQHSA-N 1 2 221.260 1.680 20 30 BDEDLO CC#CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845500273 588231250 /nfs/dbraw/zinc/23/12/50/588231250.db2.gz JSDCBVKOXGTZHT-UHFFFAOYSA-N 1 2 232.283 1.328 20 30 BDEDLO C#C[C@H](CC)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845516237 588231657 /nfs/dbraw/zinc/23/16/57/588231657.db2.gz GQOJBIMMVASKIC-GFCCVEGCSA-N 1 2 246.310 1.717 20 30 BDEDLO C=C[C@@H](C)ONC(=O)NCc1[nH+]ccn1CC ZINC000845614897 588236311 /nfs/dbraw/zinc/23/63/11/588236311.db2.gz GPMIXDSOWWBSSE-SECBINFHSA-N 1 2 238.291 1.208 20 30 BDEDLO C[C@H](CC(=O)NC1=NO[C@@H](C)C1)n1cc[nH+]c1 ZINC000845900092 588249740 /nfs/dbraw/zinc/24/97/40/588249740.db2.gz PGYQREPZXRYCFD-BDAKNGLRSA-N 1 2 236.275 1.073 20 30 BDEDLO C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)NOCC)C1 ZINC000846085325 588255831 /nfs/dbraw/zinc/25/58/31/588255831.db2.gz XXJGLKKJADYKKS-MNOVXSKESA-N 1 2 226.320 1.389 20 30 BDEDLO C=C(C)CONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000846539686 588272789 /nfs/dbraw/zinc/27/27/89/588272789.db2.gz LMENNEPEGSLQGD-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO C=C[C@@H](C)ONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846554873 588276935 /nfs/dbraw/zinc/27/69/35/588276935.db2.gz KXABBEPDPMFLDV-NXEZZACHSA-N 1 2 223.276 1.457 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000847022232 588302723 /nfs/dbraw/zinc/30/27/23/588302723.db2.gz GFSSXRZAARFQQA-SNVBAGLBSA-N 1 2 231.299 1.792 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000847022232 588302724 /nfs/dbraw/zinc/30/27/24/588302724.db2.gz GFSSXRZAARFQQA-SNVBAGLBSA-N 1 2 231.299 1.792 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(CC)[nH]2)C1 ZINC000847020892 588302777 /nfs/dbraw/zinc/30/27/77/588302777.db2.gz FQBPWBSEJQECRC-SNVBAGLBSA-N 1 2 218.304 1.212 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(CC)[nH]2)C1 ZINC000847020892 588302778 /nfs/dbraw/zinc/30/27/78/588302778.db2.gz FQBPWBSEJQECRC-SNVBAGLBSA-N 1 2 218.304 1.212 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847509219 588314712 /nfs/dbraw/zinc/31/47/12/588314712.db2.gz BVHCHPADFHXCJR-ZETCQYMHSA-N 1 2 227.695 1.457 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847509219 588314714 /nfs/dbraw/zinc/31/47/14/588314714.db2.gz BVHCHPADFHXCJR-ZETCQYMHSA-N 1 2 227.695 1.457 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000848417357 588381670 /nfs/dbraw/zinc/38/16/70/588381670.db2.gz WRYQSDHOAQWESO-GFCCVEGCSA-N 1 2 236.319 1.418 20 30 BDEDLO OC1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848416887 588381684 /nfs/dbraw/zinc/38/16/84/588381684.db2.gz BVSDZKNNGOCKKQ-UHFFFAOYSA-N 1 2 236.319 1.154 20 30 BDEDLO Cc1ccncc1C=NNCCCn1cc[nH+]c1 ZINC000848417176 588381860 /nfs/dbraw/zinc/38/18/60/588381860.db2.gz NYHGGXARGNMLLX-UHFFFAOYSA-N 1 2 243.314 1.600 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1cncs1 ZINC000848418848 588382164 /nfs/dbraw/zinc/38/21/64/588382164.db2.gz POLODHYELOVRSF-UHFFFAOYSA-N 1 2 235.316 1.353 20 30 BDEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)c(C)[nH]1 ZINC000848419312 588382275 /nfs/dbraw/zinc/38/22/75/588382275.db2.gz SSRVDLBEGGLHLU-UHFFFAOYSA-N 1 2 245.330 1.842 20 30 BDEDLO Cc1nc(C=NNCCCn2cc[nH+]c2)cs1 ZINC000848417738 588382303 /nfs/dbraw/zinc/38/23/03/588382303.db2.gz DJAIQBMBTXEQAI-UHFFFAOYSA-N 1 2 249.343 1.662 20 30 BDEDLO Cn1cccc1C=NNCCCn1cc[nH+]c1 ZINC000848419573 588382790 /nfs/dbraw/zinc/38/27/90/588382790.db2.gz XOXRQOMIUODENE-UHFFFAOYSA-N 1 2 231.303 1.235 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)N2CCCC[C@@H]2C)CC1 ZINC000848448168 588385701 /nfs/dbraw/zinc/38/57/01/588385701.db2.gz YRZNSHYIWAKASH-ZDUSSCGKSA-N 1 2 249.358 1.232 20 30 BDEDLO COC[C@H](CC/[NH+]=C/c1ccccc1O)OC ZINC000849170291 588459603 /nfs/dbraw/zinc/45/96/03/588459603.db2.gz NKRQBEMVCSBMGZ-IGVUGNCQSA-N 1 2 237.299 1.863 20 30 BDEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851867881 588636667 /nfs/dbraw/zinc/63/66/67/588636667.db2.gz GEMHMFRHTNZQFV-NSHDSACASA-N 1 2 230.739 1.145 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000851987905 588652787 /nfs/dbraw/zinc/65/27/87/588652787.db2.gz ZCSSMNGGAMRNMK-UHFFFAOYSA-N 1 2 234.347 1.877 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000851987905 588652788 /nfs/dbraw/zinc/65/27/88/588652788.db2.gz ZCSSMNGGAMRNMK-UHFFFAOYSA-N 1 2 234.347 1.877 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)ns1 ZINC000851990071 588652826 /nfs/dbraw/zinc/65/28/26/588652826.db2.gz NXSNCBROHHAENZ-QMMMGPOBSA-N 1 2 210.302 1.605 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)ns1 ZINC000851990071 588652827 /nfs/dbraw/zinc/65/28/27/588652827.db2.gz NXSNCBROHHAENZ-QMMMGPOBSA-N 1 2 210.302 1.605 20 30 BDEDLO C#CCOCC[N@H+]1CCCC[C@H]1C(F)F ZINC000852016096 588655465 /nfs/dbraw/zinc/65/54/65/588655465.db2.gz UTKNXFKTOUOZSE-JTQLQIEISA-N 1 2 217.259 1.756 20 30 BDEDLO C#CCOCC[NH2+]C(CC)(CC)C(=O)OCC ZINC000852080066 588660653 /nfs/dbraw/zinc/66/06/53/588660653.db2.gz USOAHTBRXXJPTQ-UHFFFAOYSA-N 1 2 241.331 1.348 20 30 BDEDLO C[N@H+](C[C@@H](O)c1ccccn1)CC(C)(C)C#N ZINC000852088085 588661049 /nfs/dbraw/zinc/66/10/49/588661049.db2.gz CFLQTDRMKQLANS-GFCCVEGCSA-N 1 2 233.315 1.597 20 30 BDEDLO C[N@@H+](C[C@@H](O)c1ccccn1)CC(C)(C)C#N ZINC000852088085 588661050 /nfs/dbraw/zinc/66/10/50/588661050.db2.gz CFLQTDRMKQLANS-GFCCVEGCSA-N 1 2 233.315 1.597 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(CC)n1 ZINC000852099077 588662760 /nfs/dbraw/zinc/66/27/60/588662760.db2.gz DATHLHXULFTCDR-LLVKDONJSA-N 1 2 207.277 1.524 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215499 588673340 /nfs/dbraw/zinc/67/33/40/588673340.db2.gz JSEQRGZAKDDTMM-GHMZBOCLSA-N 1 2 232.331 1.773 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215499 588673341 /nfs/dbraw/zinc/67/33/41/588673341.db2.gz JSEQRGZAKDDTMM-GHMZBOCLSA-N 1 2 232.331 1.773 20 30 BDEDLO C=CC[N@@H+](Cc1cnn(CC)n1)[C@@H](C)COC ZINC000852356910 588679327 /nfs/dbraw/zinc/67/93/27/588679327.db2.gz RIYUPKCUJZJFGZ-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1cnn(CC)n1)[C@@H](C)COC ZINC000852356910 588679328 /nfs/dbraw/zinc/67/93/28/588679328.db2.gz RIYUPKCUJZJFGZ-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=CCCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000852360776 588680048 /nfs/dbraw/zinc/68/00/48/588680048.db2.gz MAEHJMLSIMHXMA-SECBINFHSA-N 1 2 220.276 1.203 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@H]1COCCO1 ZINC000852494174 588685317 /nfs/dbraw/zinc/68/53/17/588685317.db2.gz BUCOJMUJELBASL-VIFPVBQESA-N 1 2 205.685 1.086 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@H]1COCCO1 ZINC000852494174 588685318 /nfs/dbraw/zinc/68/53/18/588685318.db2.gz BUCOJMUJELBASL-VIFPVBQESA-N 1 2 205.685 1.086 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536777 588689032 /nfs/dbraw/zinc/68/90/32/588689032.db2.gz IBFXPHYSGKRVGZ-GXTWGEPZSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536777 588689033 /nfs/dbraw/zinc/68/90/33/588689033.db2.gz IBFXPHYSGKRVGZ-GXTWGEPZSA-N 1 2 246.285 1.654 20 30 BDEDLO CC[N@H+](CC[C@@H]1COC(C)(C)O1)[C@@H](C)C#N ZINC000852646331 588692826 /nfs/dbraw/zinc/69/28/26/588692826.db2.gz OYMBYUYHALMEND-WDEREUQCSA-N 1 2 226.320 1.762 20 30 BDEDLO CC[N@@H+](CC[C@@H]1COC(C)(C)O1)[C@@H](C)C#N ZINC000852646331 588692827 /nfs/dbraw/zinc/69/28/27/588692827.db2.gz OYMBYUYHALMEND-WDEREUQCSA-N 1 2 226.320 1.762 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852684066 588695478 /nfs/dbraw/zinc/69/54/78/588695478.db2.gz ASUQDPRZOIXLIU-OLZOCXBDSA-N 1 2 231.299 1.351 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852684066 588695479 /nfs/dbraw/zinc/69/54/79/588695479.db2.gz ASUQDPRZOIXLIU-OLZOCXBDSA-N 1 2 231.299 1.351 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1csc(Cl)n1 ZINC000852714591 588697794 /nfs/dbraw/zinc/69/77/94/588697794.db2.gz VLEUXARIHOQFDR-ZCFIWIBFSA-N 1 2 218.709 1.433 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000861308906 589160549 /nfs/dbraw/zinc/16/05/49/589160549.db2.gz CEDGCYVSLGSJNP-VXGBXAGGSA-N 1 2 245.326 1.282 20 30 BDEDLO CCOC(=O)c1cccc(C[NH2+][C@H](C)CC#N)n1 ZINC000862324630 589200846 /nfs/dbraw/zinc/20/08/46/589200846.db2.gz QPAGNHWFXFMEDC-SNVBAGLBSA-N 1 2 247.298 1.650 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(=O)OC ZINC000862392642 589208454 /nfs/dbraw/zinc/20/84/54/589208454.db2.gz OAOXEKSRYKIWJQ-SCZZXKLOSA-N 1 2 245.269 1.575 20 30 BDEDLO C#C[C@H]1CCCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000862401660 589209368 /nfs/dbraw/zinc/20/93/68/589209368.db2.gz HZRPJWYLQHTBSI-LBPRGKRZSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CCCN(CCOC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000862418615 589211656 /nfs/dbraw/zinc/21/16/56/589211656.db2.gz PXXVVDOIYRZVMQ-UHFFFAOYSA-N 1 2 235.331 1.498 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nc(C)c(C)[nH]1 ZINC000862418615 589211657 /nfs/dbraw/zinc/21/16/57/589211657.db2.gz PXXVVDOIYRZVMQ-UHFFFAOYSA-N 1 2 235.331 1.498 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nc(C)c(C)[nH]1 ZINC000862418615 589211658 /nfs/dbraw/zinc/21/16/58/589211658.db2.gz PXXVVDOIYRZVMQ-UHFFFAOYSA-N 1 2 235.331 1.498 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1ccc(C)c(C#N)c1 ZINC000863459354 589290001 /nfs/dbraw/zinc/29/00/01/589290001.db2.gz OQTLTRHDFSSFPP-SNVBAGLBSA-N 1 2 247.298 1.900 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000863942819 589328804 /nfs/dbraw/zinc/32/88/04/589328804.db2.gz BOFIODLSUSKBIC-GFCCVEGCSA-N 1 2 247.342 1.869 20 30 BDEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[C@H]1C#N ZINC000864079381 589340903 /nfs/dbraw/zinc/34/09/03/589340903.db2.gz XBMCLWAAXDMTHW-ONGXEEELSA-N 1 2 232.287 1.103 20 30 BDEDLO C=CCNC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374267 589427881 /nfs/dbraw/zinc/42/78/81/589427881.db2.gz ADCGQNOIEKIVJV-UHFFFAOYSA-N 1 2 221.304 1.483 20 30 BDEDLO C#CCCNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865537980 589444039 /nfs/dbraw/zinc/44/40/39/589444039.db2.gz GULPBXMDGAWALP-UHFFFAOYSA-N 1 2 231.303 1.547 20 30 BDEDLO C#CCCNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865537980 589444040 /nfs/dbraw/zinc/44/40/40/589444040.db2.gz GULPBXMDGAWALP-UHFFFAOYSA-N 1 2 231.303 1.547 20 30 BDEDLO C#C[C@H](CC)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865724155 589458657 /nfs/dbraw/zinc/45/86/57/589458657.db2.gz JEGIXFVVNUDLFX-SSDOTTSWSA-N 1 2 234.690 1.857 20 30 BDEDLO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866396772 589490287 /nfs/dbraw/zinc/49/02/87/589490287.db2.gz BEQMKBBNZWSCCP-JBLDHEPKSA-N 1 2 246.310 1.685 20 30 BDEDLO C#C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867501040 589522950 /nfs/dbraw/zinc/52/29/50/589522950.db2.gz BWORIYSNGUIAPB-UWVGGRQHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867501040 589522952 /nfs/dbraw/zinc/52/29/52/589522952.db2.gz BWORIYSNGUIAPB-UWVGGRQHSA-N 1 2 244.285 1.101 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867532511 589524798 /nfs/dbraw/zinc/52/47/98/589524798.db2.gz MRAFMODHBCZODV-SNVBAGLBSA-N 1 2 246.301 1.656 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867532511 589524799 /nfs/dbraw/zinc/52/47/99/589524799.db2.gz MRAFMODHBCZODV-SNVBAGLBSA-N 1 2 246.301 1.656 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)c1coc(C#N)c1 ZINC000868662700 589571364 /nfs/dbraw/zinc/57/13/64/589571364.db2.gz SANDMQXMMMFGAE-UHFFFAOYSA-N 1 2 244.254 1.298 20 30 BDEDLO CC#CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000868678531 589572466 /nfs/dbraw/zinc/57/24/66/589572466.db2.gz KONULFYWKQZZNA-VIFPVBQESA-N 1 2 205.261 1.104 20 30 BDEDLO C=C(Br)C[NH2+][C@@H](C)CC#N ZINC000122306073 589577672 /nfs/dbraw/zinc/57/76/72/589577672.db2.gz LFBDFDSZXTZQPB-ZETCQYMHSA-N 1 2 203.083 1.787 20 30 BDEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H]1C#N ZINC000870669841 589682003 /nfs/dbraw/zinc/68/20/03/589682003.db2.gz CUOUQWJTMFVHBG-NXEZZACHSA-N 1 2 232.287 1.103 20 30 BDEDLO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(C#N)c1O ZINC000872125406 589876098 /nfs/dbraw/zinc/87/60/98/589876098.db2.gz BEQMKBBNZWSCCP-NHCYSSNCSA-N 1 2 246.310 1.685 20 30 BDEDLO CC[C@@H](C)NN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872368918 589922482 /nfs/dbraw/zinc/92/24/82/589922482.db2.gz ULVSLQKEHKTUJD-MRVPVSSYSA-N 1 2 217.276 1.632 20 30 BDEDLO c1[nH+]c(CN=Nc2ccncn2)cn1C1CC1 ZINC000872380540 589927948 /nfs/dbraw/zinc/92/79/48/589927948.db2.gz LGIOCIZVRJRCOF-UHFFFAOYSA-N 1 2 228.259 1.454 20 30 BDEDLO CC(=[NH+]N1CCC1)c1cc(F)c(N)c(F)c1 ZINC000872398141 589934338 /nfs/dbraw/zinc/93/43/38/589934338.db2.gz GBBFVXUGBHLRRQ-UHFFFAOYSA-N 1 2 225.242 1.977 20 30 BDEDLO C=CC[N@H+](CN1C[C@@H]2CCCCN2C1=O)C1CC1 ZINC000872595494 589955026 /nfs/dbraw/zinc/95/50/26/589955026.db2.gz MADZZGFOSZTBNM-ZDUSSCGKSA-N 1 2 249.358 1.884 20 30 BDEDLO C=CC[N@@H+](CN1C[C@@H]2CCCCN2C1=O)C1CC1 ZINC000872595494 589955028 /nfs/dbraw/zinc/95/50/28/589955028.db2.gz MADZZGFOSZTBNM-ZDUSSCGKSA-N 1 2 249.358 1.884 20 30 BDEDLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000875706021 590169078 /nfs/dbraw/zinc/16/90/78/590169078.db2.gz YJSHVRFDIVRLHR-FGPLHTHASA-N 1 2 249.358 1.239 20 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C=C(C)C[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000877689952 590391875 /nfs/dbraw/zinc/39/18/75/590391875.db2.gz MCUAZSZKDXMZIQ-NWDGAFQWSA-N 1 2 239.315 1.777 20 30 BDEDLO CCC(CC)C[N@@H+](CC#N)CCC(=O)OC ZINC000877709244 590398086 /nfs/dbraw/zinc/39/80/86/590398086.db2.gz PPFDLCRSPVNASA-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO CCC(CC)C[N@H+](CC#N)CCC(=O)OC ZINC000877709244 590398087 /nfs/dbraw/zinc/39/80/87/590398087.db2.gz PPFDLCRSPVNASA-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@@H]1CCSC1 ZINC000877710124 590398476 /nfs/dbraw/zinc/39/84/76/590398476.db2.gz HNDGCYBFPKBYNA-JTQLQIEISA-N 1 2 242.344 1.128 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H]1CCSC1 ZINC000877710124 590398480 /nfs/dbraw/zinc/39/84/80/590398480.db2.gz HNDGCYBFPKBYNA-JTQLQIEISA-N 1 2 242.344 1.128 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1(C(C)C)CC1 ZINC000877711295 590398807 /nfs/dbraw/zinc/39/88/07/590398807.db2.gz CMJRKYWKALKVLA-UHFFFAOYSA-N 1 2 238.331 1.811 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1(C(C)C)CC1 ZINC000877711295 590398808 /nfs/dbraw/zinc/39/88/08/590398808.db2.gz CMJRKYWKALKVLA-UHFFFAOYSA-N 1 2 238.331 1.811 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000878217009 590524734 /nfs/dbraw/zinc/52/47/34/590524734.db2.gz VDZUKOMNSVDUFH-NSHDSACASA-N 1 2 235.331 1.990 20 30 BDEDLO C#CCCCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000878332529 590548663 /nfs/dbraw/zinc/54/86/63/590548663.db2.gz FROXBCQUWLUNQR-ZDUSSCGKSA-N 1 2 241.331 1.348 20 30 BDEDLO C=CC[N@@H+](CC(=O)Nc1ncccc1C)C1CC1 ZINC000878342199 590552373 /nfs/dbraw/zinc/55/23/73/590552373.db2.gz SCRXWNXHFCFFGC-UHFFFAOYSA-N 1 2 245.326 1.979 20 30 BDEDLO C=CC[N@H+](CC(=O)Nc1ncccc1C)C1CC1 ZINC000878342199 590552374 /nfs/dbraw/zinc/55/23/74/590552374.db2.gz SCRXWNXHFCFFGC-UHFFFAOYSA-N 1 2 245.326 1.979 20 30 BDEDLO C#CCN(C)Cc1[nH+]ccn1CC(F)F ZINC000878501667 590581104 /nfs/dbraw/zinc/58/11/04/590581104.db2.gz RSAHIGJDAGDPNH-UHFFFAOYSA-N 1 2 213.231 1.213 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nocc1C ZINC000878502673 590581784 /nfs/dbraw/zinc/58/17/84/590581784.db2.gz FLUNJZMWJDINEK-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nocc1C ZINC000878502673 590581786 /nfs/dbraw/zinc/58/17/86/590581786.db2.gz FLUNJZMWJDINEK-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(C(=O)OC)cs1 ZINC000878656537 590603243 /nfs/dbraw/zinc/60/32/43/590603243.db2.gz RIVLQHDFUUDWNI-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(C(=O)OC)cs1 ZINC000878656537 590603244 /nfs/dbraw/zinc/60/32/44/590603244.db2.gz RIVLQHDFUUDWNI-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO C=CC(C)(C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000878776623 590620994 /nfs/dbraw/zinc/62/09/94/590620994.db2.gz OOPYOGHOXRUMCJ-UHFFFAOYSA-N 1 2 221.304 1.970 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC)C(=O)OC ZINC000878805012 590625770 /nfs/dbraw/zinc/62/57/70/590625770.db2.gz GDZRTIYLRCRMIL-GRYCIOLGSA-N 1 2 241.331 1.651 20 30 BDEDLO CCCCCCNC(=O)C[NH2+][C@@H](C)CC#N ZINC000878816002 590627115 /nfs/dbraw/zinc/62/71/15/590627115.db2.gz BDKWYACSHUHEPY-NSHDSACASA-N 1 2 225.336 1.575 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C)nc1C)C1CSC1 ZINC000878910854 590642741 /nfs/dbraw/zinc/64/27/41/590642741.db2.gz XMIQZCKADBEMDR-UHFFFAOYSA-N 1 2 235.356 1.279 20 30 BDEDLO C#CC[N@H+](Cc1cn(C)nc1C)C1CSC1 ZINC000878910854 590642745 /nfs/dbraw/zinc/64/27/45/590642745.db2.gz XMIQZCKADBEMDR-UHFFFAOYSA-N 1 2 235.356 1.279 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(C)nc1)C1CSC1 ZINC000878909811 590647618 /nfs/dbraw/zinc/64/76/18/590647618.db2.gz CHJDWKURJSILOS-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@H+](Cc1ccc(C)nc1)C1CSC1 ZINC000878909811 590647620 /nfs/dbraw/zinc/64/76/20/590647620.db2.gz CHJDWKURJSILOS-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(OC)c1)C1CSC1 ZINC000878911689 590648941 /nfs/dbraw/zinc/64/89/41/590648941.db2.gz QNXAWTNFVZIOJZ-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(OC)c1)C1CSC1 ZINC000878911689 590648946 /nfs/dbraw/zinc/64/89/46/590648946.db2.gz QNXAWTNFVZIOJZ-UHFFFAOYSA-N 1 2 248.351 1.641 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878946899 590658858 /nfs/dbraw/zinc/65/88/58/590658858.db2.gz QVIHEHDGBCVWEO-QMMMGPOBSA-N 1 2 242.710 1.584 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878946899 590658862 /nfs/dbraw/zinc/65/88/62/590658862.db2.gz QVIHEHDGBCVWEO-QMMMGPOBSA-N 1 2 242.710 1.584 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)OC ZINC000879052153 590686550 /nfs/dbraw/zinc/68/65/50/590686550.db2.gz MHUZXQTZAAZAFG-DGORSVRFSA-N 1 2 241.331 1.506 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000879057493 590689256 /nfs/dbraw/zinc/68/92/56/590689256.db2.gz NOQRPVYWXGHIJY-UHFFFAOYSA-N 1 2 221.304 1.937 20 30 BDEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000879070804 590691758 /nfs/dbraw/zinc/69/17/58/590691758.db2.gz OKPCVTHSKNWQBX-LBPRGKRZSA-N 1 2 249.314 1.261 20 30 BDEDLO N#CCC[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498261 590782940 /nfs/dbraw/zinc/78/29/40/590782940.db2.gz PTJYPEYNUGGBDK-CYBMUJFWSA-N 1 2 242.326 1.780 20 30 BDEDLO N#CCC[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498261 590782945 /nfs/dbraw/zinc/78/29/45/590782945.db2.gz PTJYPEYNUGGBDK-CYBMUJFWSA-N 1 2 242.326 1.780 20 30 BDEDLO C=C(C)[C@@H](CO)[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879982782 590903245 /nfs/dbraw/zinc/90/32/45/590903245.db2.gz MCXDMDFBTXXVRO-NWDGAFQWSA-N 1 2 241.331 1.245 20 30 BDEDLO C=C[C@H](C)NC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880816408 591143601 /nfs/dbraw/zinc/14/36/01/591143601.db2.gz LVIKQNYDBGXKIW-VIFPVBQESA-N 1 2 249.318 1.025 20 30 BDEDLO C=C[C@H](C)NC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880816408 591143603 /nfs/dbraw/zinc/14/36/03/591143603.db2.gz LVIKQNYDBGXKIW-VIFPVBQESA-N 1 2 249.318 1.025 20 30 BDEDLO Cc1ccc(N[C@@H](C)Cn2cc[nH+]c2)c(C#N)n1 ZINC000881801420 591271840 /nfs/dbraw/zinc/27/18/40/591271840.db2.gz HCZADTNLFUQXRC-NSHDSACASA-N 1 2 241.298 1.959 20 30 BDEDLO C=CC[C@@H](CO)CNc1nc[nH+]c(C)c1C ZINC000882160618 591308723 /nfs/dbraw/zinc/30/87/23/591308723.db2.gz SMHAZGDZTYJLAL-LLVKDONJSA-N 1 2 221.304 1.690 20 30 BDEDLO Cc1nc(C#N)cc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000882407418 591344245 /nfs/dbraw/zinc/34/42/45/591344245.db2.gz QJUDSVVNTKSXGP-JTQLQIEISA-N 1 2 240.270 1.410 20 30 BDEDLO Cc1nc(C#N)cc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000882626144 591402543 /nfs/dbraw/zinc/40/25/43/591402543.db2.gz VAIWSUVPRCJJEZ-QMMMGPOBSA-N 1 2 242.286 1.563 20 30 BDEDLO Cc1ccc(NC[C@H]2COCC[N@H+]2C)c(C#N)n1 ZINC000882659157 591407917 /nfs/dbraw/zinc/40/79/17/591407917.db2.gz SWGCETFMCRMVMM-NSHDSACASA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(NC[C@H]2COCC[N@@H+]2C)c(C#N)n1 ZINC000882659157 591407918 /nfs/dbraw/zinc/40/79/18/591407918.db2.gz SWGCETFMCRMVMM-NSHDSACASA-N 1 2 246.314 1.004 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C)[C@@H](C)CC#N ZINC000214563242 591633130 /nfs/dbraw/zinc/63/31/30/591633130.db2.gz AFALSVZUBYVDAK-MBACFSSFSA-N 1 2 210.277 1.340 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C)[C@@H](C)CC#N ZINC000214563242 591633127 /nfs/dbraw/zinc/63/31/27/591633127.db2.gz AFALSVZUBYVDAK-MBACFSSFSA-N 1 2 210.277 1.340 20 30 BDEDLO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000883390219 591641275 /nfs/dbraw/zinc/64/12/75/591641275.db2.gz IDTMMXJXYPBPRZ-KOLCDFICSA-N 1 2 223.320 1.696 20 30 BDEDLO N#CC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000134755489 591949269 /nfs/dbraw/zinc/94/92/69/591949269.db2.gz NBNCXQYERPFHFT-ZDUSSCGKSA-N 1 2 247.342 1.438 20 30 BDEDLO CC1(C#N)C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886183951 592171809 /nfs/dbraw/zinc/17/18/09/592171809.db2.gz QUTPNMHJNFVOEE-ZYHUDNBSSA-N 1 2 206.289 1.258 20 30 BDEDLO N#CCC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793438 592325830 /nfs/dbraw/zinc/32/58/30/592325830.db2.gz KNVOVBCGLPFMIA-MRVPVSSYSA-N 1 2 222.210 1.147 20 30 BDEDLO N#CCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793438 592325825 /nfs/dbraw/zinc/32/58/25/592325825.db2.gz KNVOVBCGLPFMIA-MRVPVSSYSA-N 1 2 222.210 1.147 20 30 BDEDLO C#CCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC000886800066 592330537 /nfs/dbraw/zinc/33/05/37/592330537.db2.gz DHNOQKILVVEVPA-GFCCVEGCSA-N 1 2 245.326 1.896 20 30 BDEDLO COC[C@H]1C[C@@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000887271076 592474161 /nfs/dbraw/zinc/47/41/61/592474161.db2.gz ZHTOUURRTPNVEO-PUXSPGBBSA-N 1 2 235.283 1.942 20 30 BDEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981754062 635391846 /nfs/dbraw/zinc/39/18/46/635391846.db2.gz RUZCNHPWRWIDRM-UHFFFAOYSA-N 1 2 242.338 1.702 20 30 BDEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981754062 635391852 /nfs/dbraw/zinc/39/18/52/635391852.db2.gz RUZCNHPWRWIDRM-UHFFFAOYSA-N 1 2 242.338 1.702 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000932157108 635606751 /nfs/dbraw/zinc/60/67/51/635606751.db2.gz CLDOWEFWHMXNBQ-GHMZBOCLSA-N 1 2 222.288 1.175 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000932157108 635606756 /nfs/dbraw/zinc/60/67/56/635606756.db2.gz CLDOWEFWHMXNBQ-GHMZBOCLSA-N 1 2 222.288 1.175 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC2)C1 ZINC000949539492 631295019 /nfs/dbraw/zinc/29/50/19/631295019.db2.gz JLUUUOHPZFMBFB-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000934012268 631587171 /nfs/dbraw/zinc/58/71/71/631587171.db2.gz PSUNVCCWCJZSME-LLVKDONJSA-N 1 2 247.254 1.033 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000934012268 631587180 /nfs/dbraw/zinc/58/71/80/631587180.db2.gz PSUNVCCWCJZSME-LLVKDONJSA-N 1 2 247.254 1.033 20 30 BDEDLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000934108791 631679677 /nfs/dbraw/zinc/67/96/77/631679677.db2.gz ROHHBUTZCCXWPG-ZJUUUORDSA-N 1 2 237.328 1.624 20 30 BDEDLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000934108791 631679678 /nfs/dbraw/zinc/67/96/78/631679678.db2.gz ROHHBUTZCCXWPG-ZJUUUORDSA-N 1 2 237.328 1.624 20 30 BDEDLO CCOC(=O)/C=C\C[N@H+](CC)C[C@@H](C)C#N ZINC000309051276 631825110 /nfs/dbraw/zinc/82/51/10/631825110.db2.gz GBHXPGKIGUPDAE-ZADCQDASSA-N 1 2 224.304 1.587 20 30 BDEDLO CCOC(=O)/C=C\C[N@@H+](CC)C[C@@H](C)C#N ZINC000309051276 631825111 /nfs/dbraw/zinc/82/51/11/631825111.db2.gz GBHXPGKIGUPDAE-ZADCQDASSA-N 1 2 224.304 1.587 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnnn1C(C)(C)C ZINC000934461579 631856046 /nfs/dbraw/zinc/85/60/46/631856046.db2.gz NFJWWRSUBILUBG-SNVBAGLBSA-N 1 2 235.335 1.579 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000934461579 631856050 /nfs/dbraw/zinc/85/60/50/631856050.db2.gz NFJWWRSUBILUBG-SNVBAGLBSA-N 1 2 235.335 1.579 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000934466980 631861318 /nfs/dbraw/zinc/86/13/18/631861318.db2.gz WCNUJJJJYODWKP-ZJUUUORDSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000934466980 631861319 /nfs/dbraw/zinc/86/13/19/631861319.db2.gz WCNUJJJJYODWKP-ZJUUUORDSA-N 1 2 237.303 1.927 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000934516581 631898078 /nfs/dbraw/zinc/89/80/78/631898078.db2.gz LXUQPGOQVGJMIE-LBPRGKRZSA-N 1 2 245.326 1.037 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000934516581 631898082 /nfs/dbraw/zinc/89/80/82/631898082.db2.gz LXUQPGOQVGJMIE-LBPRGKRZSA-N 1 2 245.326 1.037 20 30 BDEDLO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1C#N ZINC000934567689 631933058 /nfs/dbraw/zinc/93/30/58/631933058.db2.gz RGTVYLPZDVLGQP-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1C#N ZINC000934567689 631933062 /nfs/dbraw/zinc/93/30/62/631933062.db2.gz RGTVYLPZDVLGQP-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO C=CC[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000155056343 632102758 /nfs/dbraw/zinc/10/27/58/632102758.db2.gz GRGZULQCONPLDI-UHFFFAOYSA-N 1 2 218.256 1.670 20 30 BDEDLO C=CC[N@H+](C)Cn1c2ccccc2oc1=O ZINC000155056343 632102764 /nfs/dbraw/zinc/10/27/64/632102764.db2.gz GRGZULQCONPLDI-UHFFFAOYSA-N 1 2 218.256 1.670 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CCCO1 ZINC000309561117 632531436 /nfs/dbraw/zinc/53/14/36/632531436.db2.gz LBXYKMYLDSJJCO-DCAQKATOSA-N 1 2 236.340 1.975 20 30 BDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000972733708 632652151 /nfs/dbraw/zinc/65/21/51/632652151.db2.gz AOHJRODKLRTTNS-SECBINFHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000972733708 632652155 /nfs/dbraw/zinc/65/21/55/632652155.db2.gz AOHJRODKLRTTNS-SECBINFHSA-N 1 2 244.285 1.101 20 30 BDEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1O)[NH+](C)C ZINC000179739263 632758362 /nfs/dbraw/zinc/75/83/62/632758362.db2.gz DMGAMRGRQGOEKW-LLVKDONJSA-N 1 2 247.298 1.543 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000928215326 635832000 /nfs/dbraw/zinc/83/20/00/635832000.db2.gz YXHZKEWVQABYLI-LLVKDONJSA-N 1 2 244.298 1.256 20 30 BDEDLO N#CC1(CNc2cc[nH+]cc2CO)CCCC1 ZINC000894380137 635873431 /nfs/dbraw/zinc/87/34/31/635873431.db2.gz DCJYUZQCGHYZOV-UHFFFAOYSA-N 1 2 231.299 1.492 20 30 BDEDLO Cn1ncc(C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000309619788 633212976 /nfs/dbraw/zinc/21/29/76/633212976.db2.gz GSWGRNZMJLNWCZ-UHFFFAOYSA-N 1 2 233.300 1.038 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN(C)CC(C)(C)C#N ZINC000894857762 635957051 /nfs/dbraw/zinc/95/70/51/635957051.db2.gz OYINJCAGHKQXOV-UHFFFAOYSA-N 1 2 232.331 1.954 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(N(C)C)nc[nH+]1 ZINC000893097160 633832429 /nfs/dbraw/zinc/83/24/29/633832429.db2.gz ZSDCUUBTFVGTSW-SNVBAGLBSA-N 1 2 236.319 1.139 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(N(C)C)[nH+]cn1 ZINC000893097160 633832430 /nfs/dbraw/zinc/83/24/30/633832430.db2.gz ZSDCUUBTFVGTSW-SNVBAGLBSA-N 1 2 236.319 1.139 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1ncccn1 ZINC000930600600 633924894 /nfs/dbraw/zinc/92/48/94/633924894.db2.gz LGYMTVAEVIYQEZ-ZYHUDNBSSA-N 1 2 203.289 1.929 20 30 BDEDLO C#CCCNc1cc(NCCC#C)[nH+]cn1 ZINC000309550442 633952327 /nfs/dbraw/zinc/95/23/27/633952327.db2.gz JZASAXRTGKQHLY-UHFFFAOYSA-N 1 2 214.272 1.347 20 30 BDEDLO N#C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000928220178 635835001 /nfs/dbraw/zinc/83/50/01/635835001.db2.gz GFYXVLUHSLTSAK-LBPRGKRZSA-N 1 2 246.314 1.425 20 30 BDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)[nH]2)[nH+]c1C ZINC000896915762 636256505 /nfs/dbraw/zinc/25/65/05/636256505.db2.gz KISMMNGDKMKDQT-UHFFFAOYSA-N 1 2 243.270 1.156 20 30 BDEDLO C#CC[N@H+](CN1C(=O)CC12CCCC2)C(C)C ZINC000905749110 637897438 /nfs/dbraw/zinc/89/74/38/637897438.db2.gz MITPQTCIVFVIIF-UHFFFAOYSA-N 1 2 234.343 1.833 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)CC12CCCC2)C(C)C ZINC000905749110 637897442 /nfs/dbraw/zinc/89/74/42/637897442.db2.gz MITPQTCIVFVIIF-UHFFFAOYSA-N 1 2 234.343 1.833 20 30 BDEDLO C#CC[N@H+](CN1C(=O)CC2(CCC2)C1=O)C(C)C ZINC000905749561 637898055 /nfs/dbraw/zinc/89/80/55/637898055.db2.gz PDLSOEOHYSCSHI-UHFFFAOYSA-N 1 2 248.326 1.217 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)CC2(CCC2)C1=O)C(C)C ZINC000905749561 637898058 /nfs/dbraw/zinc/89/80/58/637898058.db2.gz PDLSOEOHYSCSHI-UHFFFAOYSA-N 1 2 248.326 1.217 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000905761230 637916845 /nfs/dbraw/zinc/91/68/45/637916845.db2.gz NEFQGVIFJIYIMZ-WDEREUQCSA-N 1 2 229.320 1.365 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](CC)CSC)C(=O)OC ZINC000905762204 637918129 /nfs/dbraw/zinc/91/81/29/637918129.db2.gz LHOFQAFFRQYFJL-UWVGGRQHSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)C(=O)OC ZINC000905763466 637918150 /nfs/dbraw/zinc/91/81/50/637918150.db2.gz YWDPWXFFTWVPIW-WCQYABFASA-N 1 2 248.326 1.892 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OC ZINC000905765767 637920050 /nfs/dbraw/zinc/92/00/50/637920050.db2.gz GCZFGFZSICBAEB-JQWIXIFHSA-N 1 2 227.304 1.263 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](C)SC)C(=O)OC ZINC000905764403 637920607 /nfs/dbraw/zinc/92/06/07/637920607.db2.gz XSLBDRDFJVBBRI-RKDXNWHRSA-N 1 2 217.334 1.445 20 30 BDEDLO Cc1cc(C)c(C(=O)NC[C@H](C)C#N)c(C)[nH+]1 ZINC000906635836 638224562 /nfs/dbraw/zinc/22/45/62/638224562.db2.gz AKKDIWSJJBUMHE-MRVPVSSYSA-N 1 2 231.299 1.896 20 30 BDEDLO C=CCN(CCOC)C(=O)CNc1cccc[nH+]1 ZINC000907698662 638448772 /nfs/dbraw/zinc/44/87/72/638448772.db2.gz KYBRJMRPHVPNJW-UHFFFAOYSA-N 1 2 249.314 1.155 20 30 BDEDLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000910943474 639547965 /nfs/dbraw/zinc/54/79/65/639547965.db2.gz HSCQVSTUCXOEPD-VIFPVBQESA-N 1 2 247.302 1.093 20 30 BDEDLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000910943474 639547969 /nfs/dbraw/zinc/54/79/69/639547969.db2.gz HSCQVSTUCXOEPD-VIFPVBQESA-N 1 2 247.302 1.093 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000930350875 639721066 /nfs/dbraw/zinc/72/10/66/639721066.db2.gz LMOVUGKCENFUIX-KGLIPLIRSA-N 1 2 248.301 1.832 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000930350875 639721075 /nfs/dbraw/zinc/72/10/75/639721075.db2.gz LMOVUGKCENFUIX-KGLIPLIRSA-N 1 2 248.301 1.832 20 30 BDEDLO C[C@H]([NH2+]C[C@H](O)CC#N)c1c(F)cncc1F ZINC000930476732 639773320 /nfs/dbraw/zinc/77/33/20/639773320.db2.gz UPUIGEZTCOCKRZ-JGVFFNPUSA-N 1 2 241.241 1.285 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cncc(C(=O)OC)c1 ZINC000930587453 639814549 /nfs/dbraw/zinc/81/45/49/639814549.db2.gz BQURRKNIQQSEHQ-UHFFFAOYSA-N 1 2 232.283 1.323 20 30 BDEDLO CC#CC[N@H+](C)Cc1cncc(C(=O)OC)c1 ZINC000930587453 639814550 /nfs/dbraw/zinc/81/45/50/639814550.db2.gz BQURRKNIQQSEHQ-UHFFFAOYSA-N 1 2 232.283 1.323 20 30 BDEDLO CC(C)[N@H+](Cc1cncc(C#N)c1)C1COC1 ZINC000930594710 639815068 /nfs/dbraw/zinc/81/50/68/639815068.db2.gz LFNMPEGAMPRTOS-UHFFFAOYSA-N 1 2 231.299 1.562 20 30 BDEDLO CC(C)[N@@H+](Cc1cncc(C#N)c1)C1COC1 ZINC000930594710 639815069 /nfs/dbraw/zinc/81/50/69/639815069.db2.gz LFNMPEGAMPRTOS-UHFFFAOYSA-N 1 2 231.299 1.562 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623842 639827663 /nfs/dbraw/zinc/82/76/63/639827663.db2.gz VFUQWCMJOSBYSO-ONGXEEELSA-N 1 2 243.257 1.132 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623842 639827666 /nfs/dbraw/zinc/82/76/66/639827666.db2.gz VFUQWCMJOSBYSO-ONGXEEELSA-N 1 2 243.257 1.132 20 30 BDEDLO C=CC[N@H+](Cc1nn(C)cc1C)[C@@H](C)COC ZINC000930932993 639994666 /nfs/dbraw/zinc/99/46/66/639994666.db2.gz QCWFCKFWPSSDHM-LBPRGKRZSA-N 1 2 237.347 1.751 20 30 BDEDLO C=CC[N@@H+](Cc1nn(C)cc1C)[C@@H](C)COC ZINC000930932993 639994676 /nfs/dbraw/zinc/99/46/76/639994676.db2.gz QCWFCKFWPSSDHM-LBPRGKRZSA-N 1 2 237.347 1.751 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+](Cc2nnc(OC)s2)C1 ZINC000931162482 640082968 /nfs/dbraw/zinc/08/29/68/640082968.db2.gz CDQGOUQIKDHTLT-SECBINFHSA-N 1 2 239.344 1.945 20 30 BDEDLO C=CC[C@@H]1CC[N@H+](Cc2nnc(OC)s2)C1 ZINC000931162482 640082975 /nfs/dbraw/zinc/08/29/75/640082975.db2.gz CDQGOUQIKDHTLT-SECBINFHSA-N 1 2 239.344 1.945 20 30 BDEDLO C=CC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931361944 640170983 /nfs/dbraw/zinc/17/09/83/640170983.db2.gz VSFDQJSVUGFZSI-UHFFFAOYSA-N 1 2 223.345 1.447 20 30 BDEDLO C=CCN1CC[NH+](Cc2cncs2)CC1 ZINC000931361944 640170987 /nfs/dbraw/zinc/17/09/87/640170987.db2.gz VSFDQJSVUGFZSI-UHFFFAOYSA-N 1 2 223.345 1.447 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC000932054329 640417718 /nfs/dbraw/zinc/41/77/18/640417718.db2.gz PWMDVTJKUFUELH-OUAUKWLOSA-N 1 2 243.734 1.870 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC000932054329 640417724 /nfs/dbraw/zinc/41/77/24/640417724.db2.gz PWMDVTJKUFUELH-OUAUKWLOSA-N 1 2 243.734 1.870 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001030043292 640535410 /nfs/dbraw/zinc/53/54/10/640535410.db2.gz JBVHVXJTHVYDJW-UHFFFAOYSA-N 1 2 208.305 1.163 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(C)o2)C1 ZINC001030081470 640581587 /nfs/dbraw/zinc/58/15/87/640581587.db2.gz QQOWLNGPIPMPCK-UHFFFAOYSA-N 1 2 234.299 1.578 20 30 BDEDLO N#CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932889833 640642346 /nfs/dbraw/zinc/64/23/46/640642346.db2.gz DSPBQMVKLOCICQ-UHFFFAOYSA-N 1 2 226.239 1.349 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc[nH]c2C)C1 ZINC001030203751 640679831 /nfs/dbraw/zinc/67/98/31/640679831.db2.gz RVDUGJXBRWKPPU-UHFFFAOYSA-N 1 2 233.315 1.313 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)ccn2C)C1 ZINC001030250158 640707364 /nfs/dbraw/zinc/70/73/64/640707364.db2.gz WWHMSPOYSDCGPG-UHFFFAOYSA-N 1 2 247.342 1.324 20 30 BDEDLO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1CC1(CC#N)CC1 ZINC000933833083 640769238 /nfs/dbraw/zinc/76/92/38/640769238.db2.gz UPZWVDAGYXKVLF-NSHDSACASA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1CC1(CC#N)CC1 ZINC000933833083 640769241 /nfs/dbraw/zinc/76/92/41/640769241.db2.gz UPZWVDAGYXKVLF-NSHDSACASA-N 1 2 249.358 1.527 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccccc2)C1 ZINC001030537849 640903353 /nfs/dbraw/zinc/90/33/53/640903353.db2.gz ODTDXGGTZFNFHA-UHFFFAOYSA-N 1 2 244.338 1.606 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934257180 641114794 /nfs/dbraw/zinc/11/47/94/641114794.db2.gz YRJQFYHZQCOOQN-NEPJUHHUSA-N 1 2 244.766 1.270 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934257180 641114799 /nfs/dbraw/zinc/11/47/99/641114799.db2.gz YRJQFYHZQCOOQN-NEPJUHHUSA-N 1 2 244.766 1.270 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000934508550 641175787 /nfs/dbraw/zinc/17/57/87/641175787.db2.gz CIQHZRDJTBDTTE-CYBMUJFWSA-N 1 2 240.310 1.717 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cn2cccnc2n1 ZINC000934508550 641175789 /nfs/dbraw/zinc/17/57/89/641175789.db2.gz CIQHZRDJTBDTTE-CYBMUJFWSA-N 1 2 240.310 1.717 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nocc1C ZINC000934518794 641187809 /nfs/dbraw/zinc/18/78/09/641187809.db2.gz MJNAPNLDRLQGCZ-LLVKDONJSA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nocc1C ZINC000934518794 641187814 /nfs/dbraw/zinc/18/78/14/641187814.db2.gz MJNAPNLDRLQGCZ-LLVKDONJSA-N 1 2 204.273 1.971 20 30 BDEDLO N#CCC1(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC000934568038 641201396 /nfs/dbraw/zinc/20/13/96/641201396.db2.gz SKDIJWLBVRPIDI-VHSXEESVSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CCC1(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC000934568038 641201399 /nfs/dbraw/zinc/20/13/99/641201399.db2.gz SKDIJWLBVRPIDI-VHSXEESVSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837823 641288019 /nfs/dbraw/zinc/28/80/19/641288019.db2.gz WULQYZJFKZMFAD-NWDGAFQWSA-N 1 2 208.305 1.649 20 30 BDEDLO N#CC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837823 641288027 /nfs/dbraw/zinc/28/80/27/641288027.db2.gz WULQYZJFKZMFAD-NWDGAFQWSA-N 1 2 208.305 1.649 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001030796197 641356754 /nfs/dbraw/zinc/35/67/54/641356754.db2.gz UEJXKMOCKBHNIV-GFCCVEGCSA-N 1 2 234.343 1.719 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H](C)C2)C1 ZINC001030807757 641360673 /nfs/dbraw/zinc/36/06/73/641360673.db2.gz SOQCDEJUADITIA-CHWSQXEVSA-N 1 2 248.370 1.636 20 30 BDEDLO CC(C)(C#N)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935320071 641385338 /nfs/dbraw/zinc/38/53/38/641385338.db2.gz KBPWYAMPFJOFCX-UHFFFAOYSA-N 1 2 242.282 1.842 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001030921885 641423913 /nfs/dbraw/zinc/42/39/13/641423913.db2.gz HAYABQLYAQGGMO-LBPRGKRZSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001030920947 641423948 /nfs/dbraw/zinc/42/39/48/641423948.db2.gz ASWANNRGPSEXEN-DGCLKSJQSA-N 1 2 236.359 1.799 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001031202970 641808174 /nfs/dbraw/zinc/80/81/74/641808174.db2.gz HBHZCPBYKCWLIM-CYBMUJFWSA-N 1 2 248.370 1.943 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000949456822 641838389 /nfs/dbraw/zinc/83/83/89/641838389.db2.gz HJACWCNYYJMFJU-AGGWBTHJSA-N 1 2 248.370 1.753 20 30 BDEDLO NC(Cc1ccccc1)=[NH+]OCc1ccon1 ZINC000077238983 641840045 /nfs/dbraw/zinc/84/00/45/641840045.db2.gz NLSYRQUXLMVJIT-UHFFFAOYSA-N 1 2 231.255 1.706 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C=C)CC1 ZINC000949662895 641853262 /nfs/dbraw/zinc/85/32/62/641853262.db2.gz IBSKLDZDIBICLJ-UHFFFAOYSA-N 1 2 222.332 1.529 20 30 BDEDLO C=CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000917481398 642065809 /nfs/dbraw/zinc/06/58/09/642065809.db2.gz IKRNMKLZRZQGBH-UHFFFAOYSA-N 1 2 224.264 1.645 20 30 BDEDLO C=CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000917481398 642065814 /nfs/dbraw/zinc/06/58/14/642065814.db2.gz IKRNMKLZRZQGBH-UHFFFAOYSA-N 1 2 224.264 1.645 20 30 BDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031508437 642242354 /nfs/dbraw/zinc/24/23/54/642242354.db2.gz FDLKGNOEBGVMHN-UHFFFAOYSA-N 1 2 228.723 1.197 20 30 BDEDLO CCn1cnc2c1CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000933255176 642425576 /nfs/dbraw/zinc/42/55/76/642425576.db2.gz XVOHKECWANXZIG-RYUDHWBXSA-N 1 2 244.342 1.953 20 30 BDEDLO CCn1cnc2c1CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000933255176 642425585 /nfs/dbraw/zinc/42/55/85/642425585.db2.gz XVOHKECWANXZIG-RYUDHWBXSA-N 1 2 244.342 1.953 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000920089165 642434082 /nfs/dbraw/zinc/43/40/82/642434082.db2.gz VYSSLDZTYZDMJJ-ZWNOBZJWSA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000920089165 642434090 /nfs/dbraw/zinc/43/40/90/642434090.db2.gz VYSSLDZTYZDMJJ-ZWNOBZJWSA-N 1 2 236.290 1.951 20 30 BDEDLO C#CCC1([NH2+][C@@H](C(=O)OC)C2CC2)CCC1 ZINC000933296541 642507336 /nfs/dbraw/zinc/50/73/36/642507336.db2.gz JGINKNQVSYVTPD-LLVKDONJSA-N 1 2 221.300 1.474 20 30 BDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001014377610 642889911 /nfs/dbraw/zinc/88/99/11/642889911.db2.gz SQTPKVFXOGGZSC-LLVKDONJSA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001014377610 642889912 /nfs/dbraw/zinc/88/99/12/642889912.db2.gz SQTPKVFXOGGZSC-LLVKDONJSA-N 1 2 248.351 1.494 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C ZINC001017324373 642970152 /nfs/dbraw/zinc/97/01/52/642970152.db2.gz OGCDSSSUKAHQBR-YIYPIFLZSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C ZINC001017324373 642970161 /nfs/dbraw/zinc/97/01/61/642970161.db2.gz OGCDSSSUKAHQBR-YIYPIFLZSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001017799358 642979377 /nfs/dbraw/zinc/97/93/77/642979377.db2.gz CGWNJIVLUPOKNS-BETUJISGSA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001017799358 642979385 /nfs/dbraw/zinc/97/93/85/642979385.db2.gz CGWNJIVLUPOKNS-BETUJISGSA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001017991772 642984153 /nfs/dbraw/zinc/98/41/53/642984153.db2.gz VXZAKXZJFUHNCJ-FRRDWIJNSA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001017991772 642984156 /nfs/dbraw/zinc/98/41/56/642984156.db2.gz VXZAKXZJFUHNCJ-FRRDWIJNSA-N 1 2 244.338 1.095 20 30 BDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC2)C1 ZINC000969179441 643097855 /nfs/dbraw/zinc/09/78/55/643097855.db2.gz AHHPXDRRYAVUNH-SECBINFHSA-N 1 2 242.750 1.585 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000890652988 643229261 /nfs/dbraw/zinc/22/92/61/643229261.db2.gz CLUDHTWAEPAUAK-LLVKDONJSA-N 1 2 231.299 1.357 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1 ZINC001032255838 643405434 /nfs/dbraw/zinc/40/54/34/643405434.db2.gz FJPZUXTVUYUOHC-KBPBESRZSA-N 1 2 240.306 1.219 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1 ZINC001032255838 643405437 /nfs/dbraw/zinc/40/54/37/643405437.db2.gz FJPZUXTVUYUOHC-KBPBESRZSA-N 1 2 240.306 1.219 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC ZINC001032285993 643448382 /nfs/dbraw/zinc/44/83/82/643448382.db2.gz TZNLFKXEIBIOBL-AVGNSLFASA-N 1 2 234.343 1.341 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC ZINC001032285993 643448383 /nfs/dbraw/zinc/44/83/83/643448383.db2.gz TZNLFKXEIBIOBL-AVGNSLFASA-N 1 2 234.343 1.341 20 30 BDEDLO CCn1cnnc1C[NH2+]Cc1csc(C#N)c1 ZINC000921544211 643595431 /nfs/dbraw/zinc/59/54/31/643595431.db2.gz UMGHTFDPKMMCFH-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO C=CCCOCC(=O)OCc1ccc[nH+]c1N ZINC000922384851 643983514 /nfs/dbraw/zinc/98/35/14/643983514.db2.gz FPYUYKOAJISRJW-UHFFFAOYSA-N 1 2 236.271 1.300 20 30 BDEDLO Cn1c[nH+]cc1CN[C@H](CC#N)C(F)(F)F ZINC000922646667 644051528 /nfs/dbraw/zinc/05/15/28/644051528.db2.gz KIAARZUKRBEPOY-MRVPVSSYSA-N 1 2 232.209 1.354 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922776487 644092745 /nfs/dbraw/zinc/09/27/45/644092745.db2.gz PPPHFTYOGCLYHS-MNOVXSKESA-N 1 2 248.282 1.298 20 30 BDEDLO O=C(C#Cc1ccccc1)NCCn1cc[nH+]c1 ZINC000081540875 644332755 /nfs/dbraw/zinc/33/27/55/644332755.db2.gz DEUGCLQJMCKKTJ-UHFFFAOYSA-N 1 2 239.278 1.051 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC23CC3)C1 ZINC000952348576 644373512 /nfs/dbraw/zinc/37/35/12/644373512.db2.gz NSBYJZIBMYXBTR-LBPRGKRZSA-N 1 2 234.343 1.505 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)OCC)CC1 ZINC000752853584 644603618 /nfs/dbraw/zinc/60/36/18/644603618.db2.gz CLCMDIGTNQXPPJ-LBPRGKRZSA-N 1 2 238.331 1.562 20 30 BDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC ZINC001017338584 644684547 /nfs/dbraw/zinc/68/45/47/644684547.db2.gz WPSSHJJQJXSJPJ-PHIMTYICSA-N 1 2 240.372 1.211 20 30 BDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC ZINC001017338584 644684550 /nfs/dbraw/zinc/68/45/50/644684550.db2.gz WPSSHJJQJXSJPJ-PHIMTYICSA-N 1 2 240.372 1.211 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000957799903 644754847 /nfs/dbraw/zinc/75/48/47/644754847.db2.gz XKPJLXFDTCHJMR-ZDUSSCGKSA-N 1 2 248.370 1.590 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC000957945604 644761851 /nfs/dbraw/zinc/76/18/51/644761851.db2.gz AHMQGWSXPKGNLE-UHFFFAOYSA-N 1 2 248.330 1.052 20 30 BDEDLO CC(=[NH+]Nc1cnnn1C)c1ccc(N)cc1 ZINC000814984096 644948027 /nfs/dbraw/zinc/94/80/27/644948027.db2.gz UTFBPHASCUBDAB-UHFFFAOYSA-N 1 2 230.275 1.233 20 30 BDEDLO Cn1nc(C(F)(F)F)cc1C[NH2+]CCC#N ZINC000825720441 645063637 /nfs/dbraw/zinc/06/36/37/645063637.db2.gz HFTHKKMKPLVREI-UHFFFAOYSA-N 1 2 232.209 1.442 20 30 BDEDLO C=C(C)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845447978 645362588 /nfs/dbraw/zinc/36/25/88/645362588.db2.gz TVVKEAAISUFUPS-UHFFFAOYSA-N 1 2 234.299 1.881 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC(C)C ZINC000852429693 645480171 /nfs/dbraw/zinc/48/01/71/645480171.db2.gz VSQQGPOGMYEHRN-UHFFFAOYSA-N 1 2 225.332 1.919 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC(C)C ZINC000852429693 645480175 /nfs/dbraw/zinc/48/01/75/645480175.db2.gz VSQQGPOGMYEHRN-UHFFFAOYSA-N 1 2 225.332 1.919 20 30 BDEDLO CC[C@@H]([NH2+]C[C@H](C)O)c1cccc(C#N)c1O ZINC000924528401 646047759 /nfs/dbraw/zinc/04/77/59/646047759.db2.gz NEALVWXFZNESFR-JOYOIKCWSA-N 1 2 234.299 1.685 20 30 BDEDLO COC(=O)/C=C(\C)C[N@H+](C)C[C@@H](C)C#N ZINC000929471785 646129797 /nfs/dbraw/zinc/12/97/97/646129797.db2.gz KCERRSZUVXYQIZ-CYNRKNSPSA-N 1 2 210.277 1.197 20 30 BDEDLO COC(=O)/C=C(\C)C[N@@H+](C)C[C@@H](C)C#N ZINC000929471785 646129800 /nfs/dbraw/zinc/12/98/00/646129800.db2.gz KCERRSZUVXYQIZ-CYNRKNSPSA-N 1 2 210.277 1.197 20 30 BDEDLO CN1CC[N@H+](CCCCC2(C#N)CCC2)CC1=O ZINC000929693865 646249993 /nfs/dbraw/zinc/24/99/93/646249993.db2.gz DNAKHGYDHUGUMY-UHFFFAOYSA-N 1 2 249.358 1.625 20 30 BDEDLO CN1CC[N@@H+](CCCCC2(C#N)CCC2)CC1=O ZINC000929693865 646249999 /nfs/dbraw/zinc/24/99/99/646249999.db2.gz DNAKHGYDHUGUMY-UHFFFAOYSA-N 1 2 249.358 1.625 20 30 BDEDLO C#CC[N@H+](CC#CC)C/C(C)=C/C(=O)OC ZINC000929719871 646271547 /nfs/dbraw/zinc/27/15/47/646271547.db2.gz IZAYCKLFSHNJQC-ZRDIBKRKSA-N 1 2 219.284 1.064 20 30 BDEDLO C#CC[N@@H+](CC#CC)C/C(C)=C/C(=O)OC ZINC000929719871 646271551 /nfs/dbraw/zinc/27/15/51/646271551.db2.gz IZAYCKLFSHNJQC-ZRDIBKRKSA-N 1 2 219.284 1.064 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC2CCC2)C1 ZINC001030184145 711827496 /nfs/dbraw/zinc/82/74/96/711827496.db2.gz OEWZGGQMFIAAQR-UHFFFAOYSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001038001708 712897856 /nfs/dbraw/zinc/89/78/56/712897856.db2.gz SLKZKYVZAYQXIF-GFCCVEGCSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001038001708 712897857 /nfs/dbraw/zinc/89/78/57/712897857.db2.gz SLKZKYVZAYQXIF-GFCCVEGCSA-N 1 2 220.316 1.000 20 30 BDEDLO Nc1ncccc1C=[NH+]O[C@H]1CCCCO1 ZINC000381279312 710615827 /nfs/dbraw/zinc/61/58/27/710615827.db2.gz XSXASJMUUZQXGF-JTQLQIEISA-N 1 2 221.260 1.541 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001038615971 710699675 /nfs/dbraw/zinc/69/96/75/710699675.db2.gz RXNZGJFCRFOOQJ-RYUDHWBXSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001038615971 710699679 /nfs/dbraw/zinc/69/96/79/710699679.db2.gz RXNZGJFCRFOOQJ-RYUDHWBXSA-N 1 2 234.343 1.246 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001038941818 710714109 /nfs/dbraw/zinc/71/41/09/710714109.db2.gz NJFTWHDVJAFHQM-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001038941818 710714114 /nfs/dbraw/zinc/71/41/14/710714114.db2.gz NJFTWHDVJAFHQM-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)C2CC2)C1 ZINC001042581264 710793332 /nfs/dbraw/zinc/79/33/32/710793332.db2.gz MOQGGMKPMMVRKU-NSHDSACASA-N 1 2 236.359 1.751 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001043741022 710812030 /nfs/dbraw/zinc/81/20/30/710812030.db2.gz JCQLDGGYXLFUPU-RYUDHWBXSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001044112808 710820211 /nfs/dbraw/zinc/82/02/11/710820211.db2.gz TYXCXOOELXGIJZ-CHWSQXEVSA-N 1 2 236.359 1.607 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001044288560 710823197 /nfs/dbraw/zinc/82/31/97/710823197.db2.gz GZGLLWROAIMZLQ-UHFFFAOYSA-N 1 2 247.342 1.655 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000133134176 710967900 /nfs/dbraw/zinc/96/79/00/710967900.db2.gz QZJCGBLOVVNVDM-AWEZNQCLSA-N 1 2 230.311 1.914 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000133134176 710967903 /nfs/dbraw/zinc/96/79/03/710967903.db2.gz QZJCGBLOVVNVDM-AWEZNQCLSA-N 1 2 230.311 1.914 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)CCn1cc[nH+]c1 ZINC000384143867 710990702 /nfs/dbraw/zinc/99/07/02/710990702.db2.gz GLDONKLMTIHGET-LBPRGKRZSA-N 1 2 219.288 1.191 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038763700 710705399 /nfs/dbraw/zinc/70/53/99/710705399.db2.gz PYFHWGBUBXWLCF-RYUDHWBXSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038763700 710705404 /nfs/dbraw/zinc/70/54/04/710705404.db2.gz PYFHWGBUBXWLCF-RYUDHWBXSA-N 1 2 232.327 1.000 20 30 BDEDLO CCCCOC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000397196762 711378916 /nfs/dbraw/zinc/37/89/16/711378916.db2.gz SEWCRORUEHOBMI-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO C[C@@H](CC(=O)O[C@@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000845479184 711483771 /nfs/dbraw/zinc/48/37/71/711483771.db2.gz JTKQDHXEVPKAHR-ONGXEEELSA-N 1 2 233.271 1.680 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721502061 711571535 /nfs/dbraw/zinc/57/15/35/711571535.db2.gz KSRRWHQFHJTDOF-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721502061 711571536 /nfs/dbraw/zinc/57/15/36/711571536.db2.gz KSRRWHQFHJTDOF-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO C=C1CCC(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000724465161 711582059 /nfs/dbraw/zinc/58/20/59/711582059.db2.gz VJXKIRLTTPRROF-UHFFFAOYSA-N 1 2 233.319 1.921 20 30 BDEDLO C=C1CCC(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000724465161 711582062 /nfs/dbraw/zinc/58/20/62/711582062.db2.gz VJXKIRLTTPRROF-UHFFFAOYSA-N 1 2 233.319 1.921 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1[nH]ncc1C ZINC000934520092 711591543 /nfs/dbraw/zinc/59/15/43/711591543.db2.gz XBNXPSZGSGSCFH-NSHDSACASA-N 1 2 203.289 1.706 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1[nH]ncc1C ZINC000934520092 711591545 /nfs/dbraw/zinc/59/15/45/711591545.db2.gz XBNXPSZGSGSCFH-NSHDSACASA-N 1 2 203.289 1.706 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721541569 711620184 /nfs/dbraw/zinc/62/01/84/711620184.db2.gz TZATZSOWROHKBU-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000721541569 711620185 /nfs/dbraw/zinc/62/01/85/711620185.db2.gz TZATZSOWROHKBU-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001030098631 711826359 /nfs/dbraw/zinc/82/63/59/711826359.db2.gz LWVFBWWQKHRMKP-LBPRGKRZSA-N 1 2 232.327 1.166 20 30 BDEDLO COC(=O)CCC/[NH+]=C/c1ccccc1O ZINC000060804144 711835731 /nfs/dbraw/zinc/83/57/31/711835731.db2.gz WAYRMFRMRKMMSH-UKTHLTGXSA-N 1 2 221.256 1.764 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(C)cc2)C1 ZINC001030629516 711839832 /nfs/dbraw/zinc/83/98/32/711839832.db2.gz DHPVUXRLRFLMII-UHFFFAOYSA-N 1 2 244.338 1.524 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001038601524 711903343 /nfs/dbraw/zinc/90/33/43/711903343.db2.gz NUAXPRMOMVVWPZ-CYBMUJFWSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001038601524 711903344 /nfs/dbraw/zinc/90/33/44/711903344.db2.gz NUAXPRMOMVVWPZ-CYBMUJFWSA-N 1 2 246.354 1.390 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsn1 ZINC001032468656 711919575 /nfs/dbraw/zinc/91/95/75/711919575.db2.gz AOLLJOFURKLIDE-UWVGGRQHSA-N 1 2 249.339 1.228 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsn1 ZINC001032468656 711919577 /nfs/dbraw/zinc/91/95/77/711919577.db2.gz AOLLJOFURKLIDE-UWVGGRQHSA-N 1 2 249.339 1.228 20 30 BDEDLO N#Cc1cc(N2CC(n3cc[nH+]c3)C2)ccn1 ZINC000707571221 712175567 /nfs/dbraw/zinc/17/55/67/712175567.db2.gz JQSGPQPTGKORHF-UHFFFAOYSA-N 1 2 225.255 1.211 20 30 BDEDLO C#CC[C@@H](COC)[NH2+]Cc1n[nH]c2ccccc21 ZINC000716830937 712577371 /nfs/dbraw/zinc/57/73/71/712577371.db2.gz ZGRNSYXIHVJBID-NSHDSACASA-N 1 2 243.310 1.691 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000862574991 712618792 /nfs/dbraw/zinc/61/87/92/712618792.db2.gz PCIXFBPFNJRONV-NSHDSACASA-N 1 2 231.299 1.132 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001266333340 957269005 /nfs/dbraw/zinc/26/90/05/957269005.db2.gz LMJJQAZACCEGCK-LLVKDONJSA-N 1 2 242.338 1.749 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001266333340 957269012 /nfs/dbraw/zinc/26/90/12/957269012.db2.gz LMJJQAZACCEGCK-LLVKDONJSA-N 1 2 242.338 1.749 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000309028276 959561613 /nfs/dbraw/zinc/56/16/13/959561613.db2.gz CBIYRABOFGCKGF-VHSXEESVSA-N 1 2 229.345 1.589 20 30 BDEDLO Cn1cc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000309542518 959915960 /nfs/dbraw/zinc/91/59/60/959915960.db2.gz YUAUIUPCPIGOTE-UHFFFAOYSA-N 1 2 233.300 1.038 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1ncc(C)cn1 ZINC000692631594 960361191 /nfs/dbraw/zinc/36/11/91/960361191.db2.gz CCVVQPWOHKBFLN-LBPRGKRZSA-N 1 2 203.289 1.677 20 30 BDEDLO C=C(C)C(=O)OCCNc1cc[nH+]c(CC)n1 ZINC001157305032 963576640 /nfs/dbraw/zinc/57/66/40/963576640.db2.gz QZKBEWUTJNWUGD-UHFFFAOYSA-N 1 2 235.287 1.570 20 30 BDEDLO C=C(C)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737656 966780070 /nfs/dbraw/zinc/78/00/70/966780070.db2.gz SAKDIRLHCJRMKQ-ZETCQYMHSA-N 1 2 242.216 1.169 20 30 BDEDLO C=C(C)C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737656 966780079 /nfs/dbraw/zinc/78/00/79/966780079.db2.gz SAKDIRLHCJRMKQ-ZETCQYMHSA-N 1 2 242.216 1.169 20 30 BDEDLO C/N=C1/NC(=O)C(=Cc2[nH]c(C)c(C)[nH+]2)S1 ZINC000823875137 968562851 /nfs/dbraw/zinc/56/28/51/968562851.db2.gz ZPTMDYHKJIPJQU-DAXSKMNVSA-N 1 2 236.300 1.216 20 30 BDEDLO CN=C1NC(=O)C(=Cc2[nH]c(C)c(C)[nH+]2)S1 ZINC000823875137 968562857 /nfs/dbraw/zinc/56/28/57/968562857.db2.gz ZPTMDYHKJIPJQU-DAXSKMNVSA-N 1 2 236.300 1.216 20 30 BDEDLO C=CCOC[C@H](O)CNc1ccc(C)[nH+]c1C ZINC001252453067 968710765 /nfs/dbraw/zinc/71/07/65/968710765.db2.gz UDYWJSNOPLSRKV-GFCCVEGCSA-N 1 2 236.315 1.674 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](CC=C)C(=O)OC ZINC001252617703 968877309 /nfs/dbraw/zinc/87/73/09/968877309.db2.gz IXFRNIKLXFKGBD-WDEREUQCSA-N 1 2 227.304 1.021 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1ccncc1 ZINC001255156810 969966586 /nfs/dbraw/zinc/96/65/86/969966586.db2.gz OFZDLXFHZIRFAJ-NEPJUHHUSA-N 1 2 219.288 1.397 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001332435583 975119505 /nfs/dbraw/zinc/11/95/05/975119505.db2.gz XXUOYDMCJYRIBF-BBBLOLIVSA-N 1 2 222.292 1.075 20 30 BDEDLO Cc1ccncc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC000259952281 977037257 /nfs/dbraw/zinc/03/72/57/977037257.db2.gz IWGGEYPXKKZYBY-NSHDSACASA-N 1 2 201.273 1.736 20 30 BDEDLO Cc1ccncc1C[N@H+]1CC[C@@H](C#N)C1 ZINC000259952281 977037268 /nfs/dbraw/zinc/03/72/68/977037268.db2.gz IWGGEYPXKKZYBY-NSHDSACASA-N 1 2 201.273 1.736 20 30 BDEDLO Cc1cnsc1C[NH+]1CC(CC#N)C1 ZINC001233317951 978552237 /nfs/dbraw/zinc/55/22/37/978552237.db2.gz KHNWQIDXWFXBJX-UHFFFAOYSA-N 1 2 207.302 1.797 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257074970 971088527 /nfs/dbraw/zinc/08/85/27/971088527.db2.gz XYKREDTXNOTKSJ-JXUBOQSCSA-N 1 2 247.360 1.003 20 30 BDEDLO CCCC(CCC)N1CC[NH2+]C[C@H]1C#N ZINC001257335477 971243409 /nfs/dbraw/zinc/24/34/09/971243409.db2.gz UTITXFIVLGXMGK-GFCCVEGCSA-N 1 2 209.337 1.753 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)c1csc(C#N)c1 ZINC001132729621 971406151 /nfs/dbraw/zinc/40/61/51/971406151.db2.gz QCAYJXSPWYPVJL-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO CC[C@@H](C#CC(=O)OC)Oc1cc[nH+]cc1 ZINC001225296428 974374719 /nfs/dbraw/zinc/37/47/19/974374719.db2.gz VHGQVLKXIXIGTQ-JTQLQIEISA-N 1 2 219.240 1.415 20 30 BDEDLO FC(F)(F)C=CNNc1cc[nH+]cc1 ZINC000817325777 971983532 /nfs/dbraw/zinc/98/35/32/971983532.db2.gz HMEHVFWNTVPGCH-UHFFFAOYSA-N 1 2 203.167 1.854 20 30 BDEDLO CC#CCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001219557207 972030742 /nfs/dbraw/zinc/03/07/42/972030742.db2.gz SVLLIMHJOUVAKG-UHFFFAOYSA-N 1 2 242.282 1.821 20 30 BDEDLO CC[C@@H](CCC(=O)OC)C[NH+]1CC(C)(C#N)C1 ZINC001208778269 957166552 /nfs/dbraw/zinc/16/65/52/957166552.db2.gz UDGGPKJYZXJBMJ-NSHDSACASA-N 1 2 238.331 1.811 20 30 BDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)C ZINC001266378299 957411150 /nfs/dbraw/zinc/41/11/50/957411150.db2.gz XCVGXOPPDWUANX-UHFFFAOYSA-N 1 2 232.755 1.833 20 30 BDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)C ZINC001266378299 957411164 /nfs/dbraw/zinc/41/11/64/957411164.db2.gz XCVGXOPPDWUANX-UHFFFAOYSA-N 1 2 232.755 1.833 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001167211429 957546494 /nfs/dbraw/zinc/54/64/94/957546494.db2.gz AJAYLPQCSFLNPJ-STQMWFEESA-N 1 2 243.310 1.763 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001136871599 972288670 /nfs/dbraw/zinc/28/86/70/972288670.db2.gz WJTLFVURGMPHSF-SNVBAGLBSA-N 1 2 204.277 1.535 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001136871599 972288677 /nfs/dbraw/zinc/28/86/77/972288677.db2.gz WJTLFVURGMPHSF-SNVBAGLBSA-N 1 2 204.277 1.535 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(OC)c(C)c1 ZINC001137009581 972323478 /nfs/dbraw/zinc/32/34/78/972323478.db2.gz IWYJPNDDPCSJCM-UHFFFAOYSA-N 1 2 228.295 1.467 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C=C)C(=O)OC)C1 ZINC000692316434 958326873 /nfs/dbraw/zinc/32/68/73/958326873.db2.gz JMYPAGMKHBUZOF-MNOVXSKESA-N 1 2 207.273 1.059 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C=C)C(=O)OC)C1 ZINC000692316434 958326887 /nfs/dbraw/zinc/32/68/87/958326887.db2.gz JMYPAGMKHBUZOF-MNOVXSKESA-N 1 2 207.273 1.059 20 30 BDEDLO C#CC1CC[NH+]([C@H](C=C)C(=O)OC)CC1 ZINC000692345362 958619801 /nfs/dbraw/zinc/61/98/01/958619801.db2.gz VMKATBWQPAXHFL-LLVKDONJSA-N 1 2 207.273 1.059 20 30 BDEDLO C#CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001143908925 972395399 /nfs/dbraw/zinc/39/53/99/972395399.db2.gz YXAJEGNINPSMEA-UHFFFAOYSA-N 1 2 225.251 1.503 20 30 BDEDLO CC1(C)C[C@H](C[NH+]2CC(C#N)C2)CCO1 ZINC001207353251 959216681 /nfs/dbraw/zinc/21/66/81/959216681.db2.gz MTIUTABBMMTUNX-SNVBAGLBSA-N 1 2 208.305 1.647 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)/C(C)=C/C)CC1 ZINC001143938757 972418407 /nfs/dbraw/zinc/41/84/07/972418407.db2.gz KGTBZPSBOYUZQC-VZUCSPMQSA-N 1 2 208.305 1.283 20 30 BDEDLO N#CCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC001327113764 972418902 /nfs/dbraw/zinc/41/89/02/972418902.db2.gz QXUJFHRJYPHLRE-UHFFFAOYSA-N 1 2 232.287 1.309 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001038044314 959695677 /nfs/dbraw/zinc/69/56/77/959695677.db2.gz RQLJALZTFUCNBM-LLVKDONJSA-N 1 2 234.299 1.578 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001038044314 959695687 /nfs/dbraw/zinc/69/56/87/959695687.db2.gz RQLJALZTFUCNBM-LLVKDONJSA-N 1 2 234.299 1.578 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2CCO)c1 ZINC000694965307 960056178 /nfs/dbraw/zinc/05/61/78/960056178.db2.gz NDIHEUFKZBTSDD-AWEZNQCLSA-N 1 2 246.310 1.141 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2CCO)c1 ZINC000694965307 960056187 /nfs/dbraw/zinc/05/61/87/960056187.db2.gz NDIHEUFKZBTSDD-AWEZNQCLSA-N 1 2 246.310 1.141 20 30 BDEDLO C=CC[C@H](C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001144018820 972487694 /nfs/dbraw/zinc/48/76/94/972487694.db2.gz UTVVJQQXLXKSHB-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001144027481 972502216 /nfs/dbraw/zinc/50/22/16/972502216.db2.gz QDSJAHGXXZFCOS-NEPJUHHUSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001144027481 972502237 /nfs/dbraw/zinc/50/22/37/972502237.db2.gz QDSJAHGXXZFCOS-NEPJUHHUSA-N 1 2 240.347 1.036 20 30 BDEDLO C#C[C@@H](C)N(C)c1nccn2c[nH+]cc12 ZINC000893529092 960859070 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/nfs/dbraw/zinc/56/73/14/966567314.db2.gz KNUBROIXBAPNOM-VIFPVBQESA-N 1 2 218.728 1.585 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC ZINC001485267228 966567319 /nfs/dbraw/zinc/56/73/19/966567319.db2.gz KNUBROIXBAPNOM-VIFPVBQESA-N 1 2 218.728 1.585 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cnn(CC(F)F)c1 ZINC001203523101 966673685 /nfs/dbraw/zinc/67/36/85/966673685.db2.gz YGUVULQGWXZZHW-MRVPVSSYSA-N 1 2 228.246 1.540 20 30 BDEDLO Cc1cc(NC(=O)c2ccc(C#N)n2C)cc[nH+]1 ZINC001127728471 966770007 /nfs/dbraw/zinc/77/00/07/966770007.db2.gz QWYRZPWBWOWIQV-UHFFFAOYSA-N 1 2 240.266 1.274 20 30 BDEDLO C#Cc1cc(Nc2ccc(CO)nc2)cc[nH+]1 ZINC001212369076 966922602 /nfs/dbraw/zinc/92/26/02/966922602.db2.gz QRYTUMAQZIQXMG-UHFFFAOYSA-N 1 2 225.251 1.116 20 30 BDEDLO C#CCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001249946293 967189840 /nfs/dbraw/zinc/18/98/40/967189840.db2.gz SSZXMBLHOTZEJG-UHFFFAOYSA-N 1 2 245.322 1.573 20 30 BDEDLO Cn1cc(Nc2ccn3cc[nH+]c3c2)c(C#N)n1 ZINC001204965842 967266929 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968958082 /nfs/dbraw/zinc/95/80/82/968958082.db2.gz GAVFPOLQCOJDPX-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO C#CC[N@H+](CC1CC1)CN1CCSC1=O ZINC001253580869 969258642 /nfs/dbraw/zinc/25/86/42/969258642.db2.gz VBUNHSDXXFKHHV-UHFFFAOYSA-N 1 2 224.329 1.458 20 30 BDEDLO C#CC[N@@H+](CC1CC1)CN1CCSC1=O ZINC001253580869 969258648 /nfs/dbraw/zinc/25/86/48/969258648.db2.gz VBUNHSDXXFKHHV-UHFFFAOYSA-N 1 2 224.329 1.458 20 30 BDEDLO CCCc1cc(N2CC[NH2+]C[C@@H]2C#N)nc(C)n1 ZINC001156327912 969704214 /nfs/dbraw/zinc/70/42/14/969704214.db2.gz RUSRGXQLKXRXOK-LBPRGKRZSA-N 1 2 245.330 1.039 20 30 BDEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCSC2=O)C1 ZINC001254635655 969753159 /nfs/dbraw/zinc/75/31/59/969753159.db2.gz HKLUMINLPXCUOH-VGMNWLOBSA-N 1 2 210.302 1.300 20 30 BDEDLO C#C[C@@H]1CCC[C@@H]1OCC[NH+]1CCOCC1 ZINC001210224985 969838769 /nfs/dbraw/zinc/83/87/69/969838769.db2.gz MSZRGLFNZFQHBG-OLZOCXBDSA-N 1 2 223.316 1.137 20 30 BDEDLO O=C1C=C2C[N@H+](C3CCOCC3)CCC2S1 ZINC001255039476 969861418 /nfs/dbraw/zinc/86/14/18/969861418.db2.gz LJJYPVGCDSRVGP-NSHDSACASA-N 1 2 239.340 1.440 20 30 BDEDLO O=C1C=C2C[N@@H+](C3CCOCC3)CCC2S1 ZINC001255039476 969861423 /nfs/dbraw/zinc/86/14/23/969861423.db2.gz LJJYPVGCDSRVGP-NSHDSACASA-N 1 2 239.340 1.440 20 30 BDEDLO O=C1C=C2C[N@H+](C3CCOCC3)CC[C@@H]2S1 ZINC001255039476 969861426 /nfs/dbraw/zinc/86/14/26/969861426.db2.gz LJJYPVGCDSRVGP-NSHDSACASA-N 1 2 239.340 1.440 20 30 BDEDLO O=C1C=C2C[N@@H+](C3CCOCC3)CC[C@@H]2S1 ZINC001255039476 969861430 /nfs/dbraw/zinc/86/14/30/969861430.db2.gz LJJYPVGCDSRVGP-NSHDSACASA-N 1 2 239.340 1.440 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001255154319 969959321 /nfs/dbraw/zinc/95/93/21/969959321.db2.gz HFQOLQKBQINQSR-LBPRGKRZSA-N 1 2 243.310 1.712 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001255165359 969978267 /nfs/dbraw/zinc/97/82/67/969978267.db2.gz WLTDFUBKQXTSMG-NSHDSACASA-N 1 2 247.298 1.650 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001255177953 969996192 /nfs/dbraw/zinc/99/61/92/969996192.db2.gz ZCTIBIYIFICGHL-PSIUFMSWSA-N 1 2 236.315 1.420 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001255177953 969996198 /nfs/dbraw/zinc/99/61/98/969996198.db2.gz ZCTIBIYIFICGHL-PSIUFMSWSA-N 1 2 236.315 1.420 20 30 BDEDLO C#Cc1cc(Nc2cccc(CO)c2F)cc[nH+]1 ZINC001211426522 970258580 /nfs/dbraw/zinc/25/85/80/970258580.db2.gz OALUDNANGJAHAR-UHFFFAOYSA-N 1 2 242.253 1.860 20 30 BDEDLO CC[C@H](C#N)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255619912 970400364 /nfs/dbraw/zinc/40/03/64/970400364.db2.gz YUXMSGZXLAKSKK-SNVBAGLBSA-N 1 2 224.304 1.564 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001113323567 970408025 /nfs/dbraw/zinc/40/80/25/970408025.db2.gz VWFDCFYHAMNSCG-UHFFFAOYSA-N 1 2 236.359 1.897 20 30 BDEDLO C#CCC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792133477 970512074 /nfs/dbraw/zinc/51/20/74/970512074.db2.gz QSFCXYVGLSBLNV-UHFFFAOYSA-N 1 2 232.283 1.757 20 30 BDEDLO C[N@@H+]1CCO[C@@H](CSc2ccncc2C#N)C1 ZINC000400775765 970623207 /nfs/dbraw/zinc/62/32/07/970623207.db2.gz NLJQFLCNRFLZQA-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@@H](CSc2ccncc2C#N)C1 ZINC000400775765 970623217 /nfs/dbraw/zinc/62/32/17/970623217.db2.gz NLJQFLCNRFLZQA-LLVKDONJSA-N 1 2 249.339 1.376 20 30 BDEDLO Cn1c[nH+]cc1CN1CCC[C@@H](C#N)C1 ZINC000401850633 970738805 /nfs/dbraw/zinc/73/88/05/970738805.db2.gz SMKWMGWDQIREAU-JTQLQIEISA-N 1 2 204.277 1.156 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC(N(C)C(C)=O)C2)cc1 ZINC001144573381 972877893 /nfs/dbraw/zinc/87/78/93/972877893.db2.gz IFVGFYHJORCRCL-UHFFFAOYSA-N 1 2 242.322 1.330 20 30 BDEDLO COCC#CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001328251363 972924355 /nfs/dbraw/zinc/92/43/55/972924355.db2.gz PRWRFFGCPCBEOB-UHFFFAOYSA-N 1 2 247.298 1.044 20 30 BDEDLO C=C(C)CCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224280646 973494828 /nfs/dbraw/zinc/49/48/28/973494828.db2.gz CGOFGEAVRURXBY-NEPJUHHUSA-N 1 2 241.331 1.605 20 30 BDEDLO C=C(C)CCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224280646 973494836 /nfs/dbraw/zinc/49/48/36/973494836.db2.gz CGOFGEAVRURXBY-NEPJUHHUSA-N 1 2 241.331 1.605 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172150378 974407810 /nfs/dbraw/zinc/40/78/10/974407810.db2.gz NKZOEPQJKMQXOR-DYEKYZERSA-N 1 2 249.358 1.668 20 30 BDEDLO CCCC[N@H+](CC#N)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178633 974434294 /nfs/dbraw/zinc/43/42/94/974434294.db2.gz GUNFRBFQFYIRSS-OLZOCXBDSA-N 1 2 249.358 1.765 20 30 BDEDLO CCCC[N@@H+](CC#N)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178633 974434302 /nfs/dbraw/zinc/43/43/02/974434302.db2.gz GUNFRBFQFYIRSS-OLZOCXBDSA-N 1 2 249.358 1.765 20 30 BDEDLO Cc1ccn(C[N@@H+]2CC[C@H](CF)C2)c(=O)c1C#N ZINC001331035160 974569781 /nfs/dbraw/zinc/56/97/81/974569781.db2.gz CFEJYXOURFPGNJ-LLVKDONJSA-N 1 2 249.289 1.277 20 30 BDEDLO Cc1ccn(C[N@H+]2CC[C@H](CF)C2)c(=O)c1C#N ZINC001331035160 974569789 /nfs/dbraw/zinc/56/97/89/974569789.db2.gz CFEJYXOURFPGNJ-LLVKDONJSA-N 1 2 249.289 1.277 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(F)c(C#N)c2)C1 ZINC001225815954 974693665 /nfs/dbraw/zinc/69/36/65/974693665.db2.gz KUEWXAWWCRWGJL-UHFFFAOYSA-N 1 2 220.247 1.780 20 30 BDEDLO CC[C@H](CC(C)C)N1CC[NH2+]C[C@@H]1C#N ZINC001172396771 974755191 /nfs/dbraw/zinc/75/51/91/974755191.db2.gz NTZLRQWGIYHAJG-NEPJUHHUSA-N 1 2 209.337 1.608 20 30 BDEDLO COC(=O)[C@H]1CCC[C@H]([N@H+](C)CC#N)CC1 ZINC001172792532 974943533 /nfs/dbraw/zinc/94/35/33/974943533.db2.gz SBVJKERQOZECFG-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@H]1CCC[C@H]([N@@H+](C)CC#N)CC1 ZINC001172792532 974943537 /nfs/dbraw/zinc/94/35/37/974943537.db2.gz SBVJKERQOZECFG-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cn(CC)nn1 ZINC001333030296 975377054 /nfs/dbraw/zinc/37/70/54/975377054.db2.gz ZAMVATRQYLURPT-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cn(CC)nn1 ZINC001333030296 975377064 /nfs/dbraw/zinc/37/70/64/975377064.db2.gz ZAMVATRQYLURPT-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C=CCO[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC001333699875 976008903 /nfs/dbraw/zinc/00/89/03/976008903.db2.gz WBLHZPAWTXBHIJ-LLVKDONJSA-N 1 2 244.298 1.511 20 30 BDEDLO C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)n1cc[nH+]c1 ZINC001334314026 976443008 /nfs/dbraw/zinc/44/30/08/976443008.db2.gz MSKMZWNBOWXFOO-CMPLNLGQSA-N 1 2 246.314 1.643 20 30 BDEDLO CN1CC2(C1)CC[N@@H+](Cc1cncc(C#N)c1)C2 ZINC000721499520 976960615 /nfs/dbraw/zinc/96/06/15/976960615.db2.gz HMZUWWMTJBCCIJ-UHFFFAOYSA-N 1 2 242.326 1.091 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2ncco2)C1 ZINC000259897575 976966962 /nfs/dbraw/zinc/96/69/62/976966962.db2.gz FLFQRVMGWMADEY-JTQLQIEISA-N 1 2 205.261 1.800 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC000259897575 976966971 /nfs/dbraw/zinc/96/69/71/976966971.db2.gz FLFQRVMGWMADEY-JTQLQIEISA-N 1 2 205.261 1.800 20 30 BDEDLO CCn1nnc(C)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC001336050153 977460050 /nfs/dbraw/zinc/46/00/50/977460050.db2.gz XOAZEDBFEYWKFS-LLVKDONJSA-N 1 2 246.318 1.140 20 30 BDEDLO COc1cc[nH+]c(CN2C[C@@H](F)C[C@H]2C#N)c1 ZINC001231969682 977819615 /nfs/dbraw/zinc/81/96/15/977819615.db2.gz QIIBXQINLCTJTE-ONGXEEELSA-N 1 2 235.262 1.526 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC(C(N)=O)C2)cc1Cl ZINC001232115630 977895940 /nfs/dbraw/zinc/89/59/40/977895940.db2.gz XIOSYCOUKQTMLF-UHFFFAOYSA-N 1 2 249.701 1.129 20 30 BDEDLO Cc1nc(N)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001232347990 978028701 /nfs/dbraw/zinc/02/87/01/978028701.db2.gz WUMXIUCZEBTLNC-ZDUSSCGKSA-N 1 2 230.315 1.708 20 30 BDEDLO Cc1nc(N)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001232347990 978028713 /nfs/dbraw/zinc/02/87/13/978028713.db2.gz WUMXIUCZEBTLNC-ZDUSSCGKSA-N 1 2 230.315 1.708 20 30 BDEDLO N#CCC1C[NH+](Cc2[nH]nc3c2CCC3)C1 ZINC001232424184 978058771 /nfs/dbraw/zinc/05/87/71/978058771.db2.gz CHRNCJXFSXLRAB-UHFFFAOYSA-N 1 2 216.288 1.244 20 30 BDEDLO Cc1[nH]c(CN2C[C@@H](F)C[C@H]2C#N)c[nH+]1 ZINC001232465719 978106562 /nfs/dbraw/zinc/10/65/62/978106562.db2.gz OGUZIWBLXRLYAS-WPRPVWTQSA-N 1 2 208.240 1.154 20 30 BDEDLO Cc1[nH]cc(CN2C[C@@H](F)C[C@H]2C#N)[nH+]1 ZINC001232465719 978106574 /nfs/dbraw/zinc/10/65/74/978106574.db2.gz OGUZIWBLXRLYAS-WPRPVWTQSA-N 1 2 208.240 1.154 20 30 BDEDLO Cc1[nH]c(NC(=O)Cc2c[nH]c[nH+]2)c(C#N)c1C ZINC001176827042 978192007 /nfs/dbraw/zinc/19/20/07/978192007.db2.gz DFHXDCVXBJRGRP-UHFFFAOYSA-N 1 2 243.270 1.408 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001232678746 978244031 /nfs/dbraw/zinc/24/40/31/978244031.db2.gz OFVFEWIJOVHHJY-SMDDNHRTSA-N 1 2 244.294 1.485 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001232678746 978244038 /nfs/dbraw/zinc/24/40/38/978244038.db2.gz OFVFEWIJOVHHJY-SMDDNHRTSA-N 1 2 244.294 1.485 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@]23CCOC3)n1 ZINC001232926919 978342924 /nfs/dbraw/zinc/34/29/24/978342924.db2.gz IOSFGSXDCDQFON-ZDUSSCGKSA-N 1 2 229.283 1.318 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@@]23CCOC3)n1 ZINC001232926919 978342938 /nfs/dbraw/zinc/34/29/38/978342938.db2.gz IOSFGSXDCDQFON-ZDUSSCGKSA-N 1 2 229.283 1.318 20 30 BDEDLO C=CCC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001337550882 978399727 /nfs/dbraw/zinc/39/97/27/978399727.db2.gz LRECZZILBRUPRN-GFCCVEGCSA-N 1 2 233.315 1.840 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001233043825 978423822 /nfs/dbraw/zinc/42/38/22/978423822.db2.gz MYLUHGGTKFDZIO-FZMZJTMJSA-N 1 2 245.326 1.887 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001233043825 978423827 /nfs/dbraw/zinc/42/38/27/978423827.db2.gz MYLUHGGTKFDZIO-FZMZJTMJSA-N 1 2 245.326 1.887 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001233083629 978464495 /nfs/dbraw/zinc/46/44/95/978464495.db2.gz SVLMTFXCPDFDME-UONOGXRCSA-N 1 2 228.295 1.840 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001233083629 978464498 /nfs/dbraw/zinc/46/44/98/978464498.db2.gz SVLMTFXCPDFDME-UONOGXRCSA-N 1 2 228.295 1.840 20 30 BDEDLO C#CCN1CC[NH+](Cc2cnc(C)c(C)c2)CC1 ZINC001233160881 978482022 /nfs/dbraw/zinc/48/20/22/978482022.db2.gz KESCZUKNDBJHPY-UHFFFAOYSA-N 1 2 243.354 1.449 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cnc(C)c(C)c2)CC1 ZINC001233160881 978482029 /nfs/dbraw/zinc/48/20/29/978482029.db2.gz KESCZUKNDBJHPY-UHFFFAOYSA-N 1 2 243.354 1.449 20 30 BDEDLO C[C@H]([NH2+]Cc1cn(C)cn1)c1cc(C#N)ccn1 ZINC001337821958 978515126 /nfs/dbraw/zinc/51/51/26/978515126.db2.gz PKFGCJZQUSXUCI-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C=CCCOCC(=O)Nc1c(C)c[nH+]cc1C ZINC001338243525 978641570 /nfs/dbraw/zinc/64/15/70/978641570.db2.gz QGUCGVLCHKSACV-UHFFFAOYSA-N 1 2 234.299 1.652 20 30 BDEDLO CCCCN(CC#N)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181257824 979039794 /nfs/dbraw/zinc/03/97/94/979039794.db2.gz WLOKOVDGMRAUDH-UHFFFAOYSA-N 1 2 246.314 1.359 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nn(C)cc1C ZINC001341342079 979343429 /nfs/dbraw/zinc/34/34/29/979343429.db2.gz AWCXNJXNSUCRED-UHFFFAOYSA-N 1 2 223.320 1.363 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nn(C)cc1C ZINC001341342079 979343440 /nfs/dbraw/zinc/34/34/40/979343440.db2.gz AWCXNJXNSUCRED-UHFFFAOYSA-N 1 2 223.320 1.363 20 30 BDEDLO C#CC(C)(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001182635633 979573425 /nfs/dbraw/zinc/57/34/25/979573425.db2.gz CPISVZXBVCSTDI-UHFFFAOYSA-N 1 2 245.326 1.706 20 30 BDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1[nH]ccc1C#N ZINC001182828272 979655893 /nfs/dbraw/zinc/65/58/93/979655893.db2.gz BDOVBJISOOUVDG-JTQLQIEISA-N 1 2 232.287 1.308 20 30 BDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1[nH]ccc1C#N ZINC001182828272 979655907 /nfs/dbraw/zinc/65/59/07/979655907.db2.gz BDOVBJISOOUVDG-JTQLQIEISA-N 1 2 232.287 1.308 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC001184115998 979953166 /nfs/dbraw/zinc/95/31/66/979953166.db2.gz SASOPLXNQQAJSC-UHFFFAOYSA-N 1 2 234.328 1.473 20 30 BDEDLO C#CC[N@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC001184115998 979953172 /nfs/dbraw/zinc/95/31/72/979953172.db2.gz SASOPLXNQQAJSC-UHFFFAOYSA-N 1 2 234.328 1.473 20 30 BDEDLO CCCC#CC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001184273251 979979643 /nfs/dbraw/zinc/97/96/43/979979643.db2.gz MNJDKQIOTSCGLI-UHFFFAOYSA-N 1 2 219.288 1.180 20 30 BDEDLO C=C1CC(C)(C(=O)NCCc2[nH]cc(C)[nH+]2)C1 ZINC001184791565 980135374 /nfs/dbraw/zinc/13/53/74/980135374.db2.gz JPPHHLOAFHSAAH-UHFFFAOYSA-N 1 2 233.315 1.733 20 30 BDEDLO C=C(C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001344404533 980389417 /nfs/dbraw/zinc/38/94/17/980389417.db2.gz OZGFRNORYXVAFT-JTQLQIEISA-N 1 2 207.277 1.527 20 30 BDEDLO N#Cc1ncc(-c2ccc[nH+]c2N)cc1F ZINC001238990899 980409712 /nfs/dbraw/zinc/40/97/12/980409712.db2.gz PHLNCQNCQUROTM-UHFFFAOYSA-N 1 2 214.203 1.737 20 30 BDEDLO CNc1cc(CNc2ccc(C#N)nn2)cc[nH+]1 ZINC001187685686 980537082 /nfs/dbraw/zinc/53/70/82/980537082.db2.gz CIVQSGSCUKKZET-UHFFFAOYSA-N 1 2 240.270 1.397 20 30 BDEDLO COc1cc(C#N)ccc1CC[NH+]1CCOCC1 ZINC001250277854 980651049 /nfs/dbraw/zinc/65/10/49/980651049.db2.gz QGPSNJIWYYMUNK-UHFFFAOYSA-N 1 2 246.310 1.442 20 30 BDEDLO C=C(CC(C)C)C(=O)NCCn1cc[nH+]c1 ZINC001346280556 980805362 /nfs/dbraw/zinc/80/53/62/980805362.db2.gz VFEGQCVOVBMFDM-UHFFFAOYSA-N 1 2 221.304 1.602 20 30 BDEDLO C=C(C)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001346710781 980891181 /nfs/dbraw/zinc/89/11/81/980891181.db2.gz HADNZHNNXMTKAT-LLVKDONJSA-N 1 2 221.304 1.744 20 30 BDEDLO Cc1ncc(C#N)c(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214261 981161007 /nfs/dbraw/zinc/16/10/07/981161007.db2.gz NDAROCZRNBTFMF-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO N#Cc1cncc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497132 981418262 /nfs/dbraw/zinc/41/82/62/981418262.db2.gz ZBTONWDBSSDZAQ-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#Cc1cnc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240496399 981419426 /nfs/dbraw/zinc/41/94/26/981419426.db2.gz LYMFGYVZXULADO-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#CCC1(O)C[NH+](CCCC2CCC2)C1 ZINC001193712990 981428163 /nfs/dbraw/zinc/42/81/63/981428163.db2.gz CVADDVMHRVVQSI-UHFFFAOYSA-N 1 2 208.305 1.527 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)[nH]2)CC1 ZINC001193904649 981508982 /nfs/dbraw/zinc/50/89/82/981508982.db2.gz TYSKMSVUJOXNBD-UHFFFAOYSA-N 1 2 233.315 1.267 20 30 BDEDLO C=C(CC)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001349368249 981535383 /nfs/dbraw/zinc/53/53/83/981535383.db2.gz MKAMBSODIDTBJK-NSHDSACASA-N 1 2 233.315 1.702 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001351615720 982340305 /nfs/dbraw/zinc/34/03/05/982340305.db2.gz GDSPMLVAHXXGKT-LLVKDONJSA-N 1 2 221.304 1.495 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001351615720 982340313 /nfs/dbraw/zinc/34/03/13/982340313.db2.gz GDSPMLVAHXXGKT-LLVKDONJSA-N 1 2 221.304 1.495 20 30 BDEDLO C[NH+]1CC(NC(=S)Nc2ccccc2C#N)C1 ZINC001196336192 982440859 /nfs/dbraw/zinc/44/08/59/982440859.db2.gz OCDFBSWWVKUNOX-UHFFFAOYSA-N 1 2 246.339 1.159 20 30 BDEDLO CC#CCCCC(=O)NCCc1[nH+]ccn1C ZINC001352868780 982613496 /nfs/dbraw/zinc/61/34/96/982613496.db2.gz UYWXEWIGDCGDMK-UHFFFAOYSA-N 1 2 233.315 1.272 20 30 BDEDLO C#CC1(O)C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001198451715 982729743 /nfs/dbraw/zinc/72/97/43/982729743.db2.gz TVWXCYWTHQWJGA-GFCCVEGCSA-N 1 2 215.296 1.736 20 30 BDEDLO C#Cc1cc(Nc2cncc(O)c2)cc[nH+]1 ZINC001201629007 983386057 /nfs/dbraw/zinc/38/60/57/983386057.db2.gz MMPDWMMZPZMCHK-UHFFFAOYSA-N 1 2 211.224 1.329 20 30 BDEDLO CCc1cc(N2CC(O)(CC#N)C2)nc(CC)[nH+]1 ZINC001355281046 983456275 /nfs/dbraw/zinc/45/62/75/983456275.db2.gz VIVOPJONVUFDPA-UHFFFAOYSA-N 1 2 246.314 1.066 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C(C)C ZINC001488651204 983689598 /nfs/dbraw/zinc/68/95/98/983689598.db2.gz MCLYCRFVKDQWSN-VXGBXAGGSA-N 1 2 240.322 1.146 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C(C)C ZINC001488651204 983689610 /nfs/dbraw/zinc/68/96/10/983689610.db2.gz MCLYCRFVKDQWSN-VXGBXAGGSA-N 1 2 240.322 1.146 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](O)CCCC)C(=O)OC ZINC001252111610 983694166 /nfs/dbraw/zinc/69/41/66/983694166.db2.gz YMAZQZGSCIYNCE-GHMZBOCLSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C(C)CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC001357913863 983804187 /nfs/dbraw/zinc/80/41/87/983804187.db2.gz NVNNRRGORSPTGC-UHFFFAOYSA-N 1 2 219.288 1.623 20 30 BDEDLO C=C[C@](C)(O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252539112 983804704 /nfs/dbraw/zinc/80/47/04/983804704.db2.gz PNVGNSYYFCEICV-LBPRGKRZSA-N 1 2 221.304 1.497 20 30 BDEDLO C=C[C@](C)(O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001252545286 983812209 /nfs/dbraw/zinc/81/22/09/983812209.db2.gz GWNSRQJYEPOUOH-ZDUSSCGKSA-N 1 2 235.331 1.887 20 30 BDEDLO N#CCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000291766268 984618411 /nfs/dbraw/zinc/61/84/11/984618411.db2.gz VEFWCLBODXXDGO-NSHDSACASA-N 1 2 246.314 1.810 20 30 BDEDLO C=C[C@@H](C)ONC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001452738715 984952544 /nfs/dbraw/zinc/95/25/44/984952544.db2.gz QDWCIYGGNYWBAO-SNVBAGLBSA-N 1 2 245.282 1.879 20 30 BDEDLO Cc1ccc(-c2ccc[nH+]c2N)c(C#N)n1 ZINC001243474340 985020440 /nfs/dbraw/zinc/02/04/40/985020440.db2.gz KZYVCMDJGQHPST-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)ncc1C#N ZINC001458095749 985265969 /nfs/dbraw/zinc/26/59/69/985265969.db2.gz HUNZMFPOCGVORH-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@H]2CCCCC2(F)F)C1 ZINC001459993129 985692225 /nfs/dbraw/zinc/69/22/25/985692225.db2.gz PWKFWMULWAWEAW-SNVBAGLBSA-N 1 2 244.285 1.772 20 30 BDEDLO C#Cc1cccc(C[NH2+]Cc2ccon2)c1 ZINC001461584474 986084478 /nfs/dbraw/zinc/08/44/78/986084478.db2.gz YUHPHAVCVKOYLM-UHFFFAOYSA-N 1 2 212.252 1.946 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC001461723904 986123728 /nfs/dbraw/zinc/12/37/28/986123728.db2.gz GVQGTNOZZCZKML-VIFPVBQESA-N 1 2 234.303 1.108 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](CCC)C(=O)OC(C)(C)C ZINC001253605211 986262369 /nfs/dbraw/zinc/26/23/69/986262369.db2.gz PHBBBPVMDHOCAN-QWRGUYRKSA-N 1 2 243.347 1.633 20 30 BDEDLO C#CCCOC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001464679742 986650304 /nfs/dbraw/zinc/65/03/04/986650304.db2.gz GIJIWPIWGXOJLN-UHFFFAOYSA-N 1 2 247.298 1.538 20 30 BDEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001254642997 986694224 /nfs/dbraw/zinc/69/42/24/986694224.db2.gz MDKNIMGBOQTMKE-WPRPVWTQSA-N 1 2 232.287 1.729 20 30 BDEDLO C#CC[NH+]1CCN(Cc2[nH]c(C)cc2C)CC1 ZINC001137330834 986788360 /nfs/dbraw/zinc/78/83/60/986788360.db2.gz CUHLBMGZSIXVOB-UHFFFAOYSA-N 1 2 231.343 1.382 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001116541981 987621316 /nfs/dbraw/zinc/62/13/16/987621316.db2.gz OGXNEHZMFLSVKU-LBPRGKRZSA-N 1 2 233.315 1.562 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001116541981 987621319 /nfs/dbraw/zinc/62/13/19/987621319.db2.gz OGXNEHZMFLSVKU-LBPRGKRZSA-N 1 2 233.315 1.562 20 30 BDEDLO C=CCOC[C@@H]([NH2+]CC(CC)CC)C(=O)OC ZINC001474477699 987735169 /nfs/dbraw/zinc/73/51/69/987735169.db2.gz ONOXGEGKALYYCQ-GFCCVEGCSA-N 1 2 243.347 1.756 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001494405027 988141289 /nfs/dbraw/zinc/14/12/89/988141289.db2.gz AMGWDBAKHZSISN-NSHDSACASA-N 1 2 236.359 1.492 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CCCCCC)C1 ZINC001494492184 988153290 /nfs/dbraw/zinc/15/32/90/988153290.db2.gz KRLLOOBRSNBPHR-UHFFFAOYSA-N 1 2 236.359 1.781 20 30 BDEDLO C[C@H](C#N)CN(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001322966515 988413373 /nfs/dbraw/zinc/41/33/73/988413373.db2.gz LNZNLUNCCFDHRD-MNOVXSKESA-N 1 2 246.314 1.595 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001499011654 988520783 /nfs/dbraw/zinc/52/07/83/988520783.db2.gz BJGMBNRFRFALSL-NSHDSACASA-N 1 2 238.306 1.092 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001499011654 988520793 /nfs/dbraw/zinc/52/07/93/988520793.db2.gz BJGMBNRFRFALSL-NSHDSACASA-N 1 2 238.306 1.092 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccnc(F)c2)C1 ZINC001118826123 988627714 /nfs/dbraw/zinc/62/77/14/988627714.db2.gz ITGHUNBOSPLJMK-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001118826123 988627726 /nfs/dbraw/zinc/62/77/26/988627726.db2.gz ITGHUNBOSPLJMK-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC001118945075 988725991 /nfs/dbraw/zinc/72/59/91/988725991.db2.gz YRHHVFMYCPNWFF-LBPRGKRZSA-N 1 2 235.331 1.803 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC001118945075 988726009 /nfs/dbraw/zinc/72/60/09/988726009.db2.gz YRHHVFMYCPNWFF-LBPRGKRZSA-N 1 2 235.331 1.803 20 30 BDEDLO C#CC[N@@H+](Cc1nocc1C)CC1CC1 ZINC001119253046 988865381 /nfs/dbraw/zinc/86/53/81/988865381.db2.gz XRPAQMOYRCRPLS-UHFFFAOYSA-N 1 2 204.273 1.828 20 30 BDEDLO C#CC[N@H+](Cc1nocc1C)CC1CC1 ZINC001119253046 988865382 /nfs/dbraw/zinc/86/53/82/988865382.db2.gz XRPAQMOYRCRPLS-UHFFFAOYSA-N 1 2 204.273 1.828 20 30 BDEDLO C#Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247513806 988914058 /nfs/dbraw/zinc/91/40/58/988914058.db2.gz SYZWGKJACIMMCE-UHFFFAOYSA-N 1 2 236.234 1.904 20 30 BDEDLO N#CC1CC[NH+](Cc2[nH]nc3c2COCC3)CC1 ZINC001119672988 989326483 /nfs/dbraw/zinc/32/64/83/989326483.db2.gz VECPIUOXMMLEGH-UHFFFAOYSA-N 1 2 246.314 1.218 20 30 BDEDLO N#Cc1cccc(C[NH+]2CC3(CC(O)C3)C2)c1F ZINC001249672004 989335431 /nfs/dbraw/zinc/33/54/31/989335431.db2.gz JRBNQAMYIKJESJ-UHFFFAOYSA-N 1 2 246.285 1.654 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001120008502 989562920 /nfs/dbraw/zinc/56/29/20/989562920.db2.gz TVYZZUNEEUVHSU-NEPJUHHUSA-N 1 2 235.331 1.990 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)CCc1[nH+]ccn1C ZINC001521555457 989744088 /nfs/dbraw/zinc/74/40/88/989744088.db2.gz SQMSZWIPKOYAEV-LLVKDONJSA-N 1 2 235.331 1.824 20 30 BDEDLO C=CCN(CCC#N)C(=O)CCc1[nH+]ccn1C ZINC001521618311 989758978 /nfs/dbraw/zinc/75/89/78/989758978.db2.gz RQAZFNLFZCXAHR-UHFFFAOYSA-N 1 2 246.314 1.281 20 30 BDEDLO C[NH+](C)Cc1nnc(Cc2cccc(C#N)c2)o1 ZINC001326986965 989799236 /nfs/dbraw/zinc/79/92/36/989799236.db2.gz KLVRYWMTMXPKRH-UHFFFAOYSA-N 1 2 242.282 1.594 20 30 BDEDLO C=C(CC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001123683572 990646834 /nfs/dbraw/zinc/64/68/34/990646834.db2.gz GKWADPLVNIJOJZ-SNVBAGLBSA-N 1 2 221.304 1.602 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)Cc1[nH]c[nH+]c1C ZINC001541009498 990653177 /nfs/dbraw/zinc/65/31/77/990653177.db2.gz KFVCPFVOFKNRDP-VIFPVBQESA-N 1 2 234.303 1.269 20 30 BDEDLO C=CCCC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001123971704 990719383 /nfs/dbraw/zinc/71/93/83/990719383.db2.gz OUIPMUBGIJXYSD-UHFFFAOYSA-N 1 2 237.303 1.319 20 30 BDEDLO C=C(CC)C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715757 990781677 /nfs/dbraw/zinc/78/16/77/990781677.db2.gz SEWKXKATOOJZFH-NXEZZACHSA-N 1 2 219.288 1.358 20 30 BDEDLO C=CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001556274168 990816262 /nfs/dbraw/zinc/81/62/62/990816262.db2.gz GXYOSQUVDCCYDL-UHFFFAOYSA-N 1 2 215.256 1.821 20 30 BDEDLO CC(=O)Oc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001138043809 990878628 /nfs/dbraw/zinc/87/86/28/990878628.db2.gz HGFBVUSGYYXSID-CYBMUJFWSA-N 1 2 244.294 1.957 20 30 BDEDLO CC(=O)Oc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001138043809 990878630 /nfs/dbraw/zinc/87/86/30/990878630.db2.gz HGFBVUSGYYXSID-CYBMUJFWSA-N 1 2 244.294 1.957 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001558535136 990958177 /nfs/dbraw/zinc/95/81/77/990958177.db2.gz RQJKSPHADOMPRC-RKDXNWHRSA-N 1 2 244.298 1.064 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)CCC(=O)OC)C(=O)OC ZINC001258352522 991283115 /nfs/dbraw/zinc/28/31/15/991283115.db2.gz GKIBABXWIWJRMV-NXEZZACHSA-N 1 2 243.303 1.035 20 30 BDEDLO COC(=O)C1C[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC001139723134 991342768 /nfs/dbraw/zinc/34/27/68/991342768.db2.gz RDWPBVCFXXSFJD-UHFFFAOYSA-N 1 2 244.294 1.472 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCCC(=O)CC2)cn1 ZINC001139767971 991360185 /nfs/dbraw/zinc/36/01/85/991360185.db2.gz GTIGBKBTZHEWEU-UHFFFAOYSA-N 1 2 233.315 1.624 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCCC(=O)CC2)cn1 ZINC001139767971 991360191 /nfs/dbraw/zinc/36/01/91/991360191.db2.gz GTIGBKBTZHEWEU-UHFFFAOYSA-N 1 2 233.315 1.624 20 30 BDEDLO Cn1ncc2ccc(C[N@H+](C)CCC#N)cc21 ZINC001139902944 991414168 /nfs/dbraw/zinc/41/41/68/991414168.db2.gz BKNLUZDYSJUYPH-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO Cn1ncc2ccc(C[N@@H+](C)CCC#N)cc21 ZINC001139902944 991414175 /nfs/dbraw/zinc/41/41/75/991414175.db2.gz BKNLUZDYSJUYPH-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC ZINC001318183667 991631709 /nfs/dbraw/zinc/63/17/09/991631709.db2.gz ANEZCFPDHGIUML-STQMWFEESA-N 1 2 234.343 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC ZINC001318183667 991631717 /nfs/dbraw/zinc/63/17/17/991631717.db2.gz ANEZCFPDHGIUML-STQMWFEESA-N 1 2 234.343 1.485 20 30 BDEDLO CO[C@H](C)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001560876414 991636549 /nfs/dbraw/zinc/63/65/49/991636549.db2.gz JUENTRFQOMVLLD-LLVKDONJSA-N 1 2 246.310 1.656 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001258718216 991645447 /nfs/dbraw/zinc/64/54/47/991645447.db2.gz JSKVILVQFFUGPR-BDAKNGLRSA-N 1 2 217.334 1.402 20 30 BDEDLO C=CCC[C@@H](C)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001258726346 991667034 /nfs/dbraw/zinc/66/70/34/991667034.db2.gz RKSXSSMZGYTGEN-MXWKQRLJSA-N 1 2 229.295 1.927 20 30 BDEDLO C=CCC[C@@H](C)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001258726346 991667042 /nfs/dbraw/zinc/66/70/42/991667042.db2.gz RKSXSSMZGYTGEN-MXWKQRLJSA-N 1 2 229.295 1.927 20 30 BDEDLO C=CCn1cnn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC001319159206 991802621 /nfs/dbraw/zinc/80/26/21/991802621.db2.gz BUEVJESAECDECT-JTQLQIEISA-N 1 2 238.360 1.899 20 30 BDEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC001319159206 991802628 /nfs/dbraw/zinc/80/26/28/991802628.db2.gz BUEVJESAECDECT-JTQLQIEISA-N 1 2 238.360 1.899 20 30 BDEDLO C[C@H](CNC(=O)CC(C)(C)C#N)Cn1cc[nH+]c1 ZINC001565867989 991815296 /nfs/dbraw/zinc/81/52/96/991815296.db2.gz JUDACYSDINTGTL-LLVKDONJSA-N 1 2 248.330 1.575 20 30 BDEDLO C=CCS(=O)(=O)Nc1cccc2[nH+]ccn21 ZINC001259921256 992019758 /nfs/dbraw/zinc/01/97/58/992019758.db2.gz JFGKMPAVXYZDIV-UHFFFAOYSA-N 1 2 237.284 1.262 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+](CCOC)C1 ZINC001567805728 992098415 /nfs/dbraw/zinc/09/84/15/992098415.db2.gz KJRMIHUQDQLYLL-CYBMUJFWSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CC[N@@H+](Cc1[nH]ncc1C)CC1CC1 ZINC001261206502 992195172 /nfs/dbraw/zinc/19/51/72/992195172.db2.gz QWNFBESUVSQQRL-UHFFFAOYSA-N 1 2 203.289 1.563 20 30 BDEDLO C#CC[N@H+](Cc1[nH]ncc1C)CC1CC1 ZINC001261206502 992195179 /nfs/dbraw/zinc/19/51/79/992195179.db2.gz QWNFBESUVSQQRL-UHFFFAOYSA-N 1 2 203.289 1.563 20 30 BDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)C ZINC001570059240 992439211 /nfs/dbraw/zinc/43/92/11/992439211.db2.gz FIVXLBZRWLGVCX-GFCCVEGCSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)C ZINC001570059240 992439218 /nfs/dbraw/zinc/43/92/18/992439218.db2.gz FIVXLBZRWLGVCX-GFCCVEGCSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CC[N@@H+](Cc1cc(Cl)n(C)n1)CC1CC1 ZINC001261795539 992516735 /nfs/dbraw/zinc/51/67/35/992516735.db2.gz YQLJATGWFVENCO-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C#CC[N@H+](Cc1cc(Cl)n(C)n1)CC1CC1 ZINC001261795539 992516747 /nfs/dbraw/zinc/51/67/47/992516747.db2.gz YQLJATGWFVENCO-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO Cc1[nH]c(CNc2nccnc2C#N)[nH+]c1C ZINC001262705365 993048374 /nfs/dbraw/zinc/04/83/74/993048374.db2.gz HBBSHNCDILHZMQ-UHFFFAOYSA-N 1 2 228.259 1.300 20 30 BDEDLO CS(=O)(=O)CC1CC[NH+](CCCC#N)CC1 ZINC000381561771 993395596 /nfs/dbraw/zinc/39/55/96/993395596.db2.gz QOLWPJISMOXAOW-UHFFFAOYSA-N 1 2 244.360 1.047 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(CCC#N)C(C)C)[nH+]1 ZINC000602088428 349435110 /nfs/dbraw/zinc/43/51/10/349435110.db2.gz LYEAZNXUCJXLGO-UHFFFAOYSA-N 1 2 248.330 1.665 20 30 BDEDLO C=CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000161706387 538917373 /nfs/dbraw/zinc/91/73/73/538917373.db2.gz TVCYRKDEAXJMLU-UHFFFAOYSA-N 1 2 207.277 1.308 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161800306 349508175 /nfs/dbraw/zinc/50/81/75/349508175.db2.gz LSIRIBZOYYVMJH-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000628490771 398167816 /nfs/dbraw/zinc/16/78/16/398167816.db2.gz GJIKYYYUOJLZRO-NSHDSACASA-N 1 2 233.315 1.387 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234529872 398176661 /nfs/dbraw/zinc/17/66/61/398176661.db2.gz OMYVUJHXMXHCJJ-UHFFFAOYSA-N 1 2 248.282 1.172 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234529872 398176667 /nfs/dbraw/zinc/17/66/67/398176667.db2.gz OMYVUJHXMXHCJJ-UHFFFAOYSA-N 1 2 248.282 1.172 20 30 BDEDLO C=CCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649883272 398162538 /nfs/dbraw/zinc/16/25/38/398162538.db2.gz OVVNSUCIFDCORM-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO C=CCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649883272 398162545 /nfs/dbraw/zinc/16/25/45/398162545.db2.gz OVVNSUCIFDCORM-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO CC[C@@H](C)[C@@H]([NH2+]CCCC#N)C(=O)OC ZINC000336756605 136220513 /nfs/dbraw/zinc/22/05/13/136220513.db2.gz IUEGILKWIQOUMS-NXEZZACHSA-N 1 2 212.293 1.467 20 30 BDEDLO C[C@H](O[NH+]=C(N)CCO)c1ccc(C#N)cc1 ZINC000194668229 136221079 /nfs/dbraw/zinc/22/10/79/136221079.db2.gz RIROSLKVXWBBJL-VIFPVBQESA-N 1 2 233.271 1.290 20 30 BDEDLO C=C(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000650069469 398230958 /nfs/dbraw/zinc/23/09/58/398230958.db2.gz ZMZVDLKJYPGILK-NSHDSACASA-N 1 2 221.304 1.917 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000521367340 259306394 /nfs/dbraw/zinc/30/63/94/259306394.db2.gz ZGNNOPBSVOWGNN-ZJUUUORDSA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000521367340 259306396 /nfs/dbraw/zinc/30/63/96/259306396.db2.gz ZGNNOPBSVOWGNN-ZJUUUORDSA-N 1 2 221.304 1.669 20 30 BDEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000281368706 538938890 /nfs/dbraw/zinc/93/88/90/538938890.db2.gz XRFWWHSNYTUVQJ-UHFFFAOYSA-N 1 2 219.288 1.519 20 30 BDEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000281368706 538938891 /nfs/dbraw/zinc/93/88/91/538938891.db2.gz XRFWWHSNYTUVQJ-UHFFFAOYSA-N 1 2 219.288 1.519 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cncnc1OC ZINC000647998702 398268772 /nfs/dbraw/zinc/26/87/72/398268772.db2.gz DOJTTWZETIBPMG-UHFFFAOYSA-N 1 2 219.288 1.659 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000607726419 342782249 /nfs/dbraw/zinc/78/22/49/342782249.db2.gz QFHUJWIOSGCTOT-UHFFFAOYSA-N 1 2 236.359 1.590 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCCCC)nn1 ZINC000640752890 361995290 /nfs/dbraw/zinc/99/52/90/361995290.db2.gz UYUYFRLQYSSOMT-UHFFFAOYSA-N 1 2 220.320 1.581 20 30 BDEDLO C[C@H](C#N)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000602607925 349631042 /nfs/dbraw/zinc/63/10/42/349631042.db2.gz NKCCMWDJVGOFTB-KOLCDFICSA-N 1 2 218.304 1.620 20 30 BDEDLO COCCc1ncc(C[NH2+]C[C@@H](C)C#N)s1 ZINC000602608355 349631810 /nfs/dbraw/zinc/63/18/10/349631810.db2.gz UELNBGRGBVNLNA-VIFPVBQESA-N 1 2 239.344 1.581 20 30 BDEDLO COc1cccc(OC)c1C[NH2+]C[C@@H](C)C#N ZINC000602608618 349632152 /nfs/dbraw/zinc/63/21/52/349632152.db2.gz UHLAMFBOSDHLSJ-JTQLQIEISA-N 1 2 234.299 1.953 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC000584002545 342899609 /nfs/dbraw/zinc/89/96/09/342899609.db2.gz DQDWMKKFLJWHQH-VHSXEESVSA-N 1 2 247.302 1.085 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CC(=O)C1 ZINC000330311544 398313280 /nfs/dbraw/zinc/31/32/80/398313280.db2.gz NWWNGVZBZWLYCT-SECBINFHSA-N 1 2 233.271 1.134 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000602629996 349665049 /nfs/dbraw/zinc/66/50/49/349665049.db2.gz OAJYMQZOXIZKET-QWRGUYRKSA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000602629996 349665053 /nfs/dbraw/zinc/66/50/53/349665053.db2.gz OAJYMQZOXIZKET-QWRGUYRKSA-N 1 2 209.268 1.864 20 30 BDEDLO CCc1c[nH+]ccc1NC(=O)CC1(C#N)CC1 ZINC000590252012 346888883 /nfs/dbraw/zinc/88/88/83/346888883.db2.gz BSTACCUCTCTQNS-UHFFFAOYSA-N 1 2 229.283 1.698 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000602712032 349704295 /nfs/dbraw/zinc/70/42/95/349704295.db2.gz WXWRAOGZYLHSHO-UWVGGRQHSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000602712032 349704297 /nfs/dbraw/zinc/70/42/97/349704297.db2.gz WXWRAOGZYLHSHO-UWVGGRQHSA-N 1 2 232.274 1.628 20 30 BDEDLO C=CC[N@@H+](Cc1nnnn1C)CC1CCCCC1 ZINC000351826362 136255601 /nfs/dbraw/zinc/25/56/01/136255601.db2.gz GEZQHQGMYXEGBW-UHFFFAOYSA-N 1 2 249.362 1.778 20 30 BDEDLO C=CC[N@H+](Cc1nnnn1C)CC1CCCCC1 ZINC000351826362 136255602 /nfs/dbraw/zinc/25/56/02/136255602.db2.gz GEZQHQGMYXEGBW-UHFFFAOYSA-N 1 2 249.362 1.778 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602769407 349724446 /nfs/dbraw/zinc/72/44/46/349724446.db2.gz DLDUEIOWIWZESZ-WCQYABFASA-N 1 2 249.358 1.621 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602769407 349724450 /nfs/dbraw/zinc/72/44/50/349724450.db2.gz DLDUEIOWIWZESZ-WCQYABFASA-N 1 2 249.358 1.621 20 30 BDEDLO CCC[C@H]1C(=O)NCC[N@H+]1CC1(CC#N)CC1 ZINC000602799236 349739907 /nfs/dbraw/zinc/73/99/07/349739907.db2.gz MFHSLEUTTBPCJX-NSHDSACASA-N 1 2 235.331 1.281 20 30 BDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CC1(CC#N)CC1 ZINC000602799236 349739909 /nfs/dbraw/zinc/73/99/09/349739909.db2.gz MFHSLEUTTBPCJX-NSHDSACASA-N 1 2 235.331 1.281 20 30 BDEDLO C=CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602800459 349740850 /nfs/dbraw/zinc/74/08/50/349740850.db2.gz VXNSMSPTEKSOSU-UHFFFAOYSA-N 1 2 236.275 1.479 20 30 BDEDLO C=CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602800459 349740851 /nfs/dbraw/zinc/74/08/51/349740851.db2.gz VXNSMSPTEKSOSU-UHFFFAOYSA-N 1 2 236.275 1.479 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602789401 349752494 /nfs/dbraw/zinc/75/24/94/349752494.db2.gz WTLZZDXSHQQNDM-LLVKDONJSA-N 1 2 238.331 1.952 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602789401 349752495 /nfs/dbraw/zinc/75/24/95/349752495.db2.gz WTLZZDXSHQQNDM-LLVKDONJSA-N 1 2 238.331 1.952 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000602861032 349772870 /nfs/dbraw/zinc/77/28/70/349772870.db2.gz FDFZDFUNJBIKFD-VXGBXAGGSA-N 1 2 237.347 1.525 20 30 BDEDLO C=CC[N@H+](CCC#N)CCc1cnccn1 ZINC000602837559 349776737 /nfs/dbraw/zinc/77/67/37/349776737.db2.gz NQVFCQGENSICGT-UHFFFAOYSA-N 1 2 216.288 1.421 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCc1cnccn1 ZINC000602837559 349776738 /nfs/dbraw/zinc/77/67/38/349776738.db2.gz NQVFCQGENSICGT-UHFFFAOYSA-N 1 2 216.288 1.421 20 30 BDEDLO Cc1nnc(NCc2c[nH+]cn2C)c(C#N)c1C ZINC000291072813 349790818 /nfs/dbraw/zinc/79/08/18/349790818.db2.gz HDNBPMIBNKUPPB-UHFFFAOYSA-N 1 2 242.286 1.311 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@H](C)N1CC#N ZINC000602853431 349787261 /nfs/dbraw/zinc/78/72/61/349787261.db2.gz IRUOGWGLPCDBNT-TXEJJXNPSA-N 1 2 232.331 1.208 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@H](C)N1CC#N ZINC000602853431 349787263 /nfs/dbraw/zinc/78/72/63/349787263.db2.gz IRUOGWGLPCDBNT-TXEJJXNPSA-N 1 2 232.331 1.208 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1CCC(C)CC1 ZINC000602863680 349796212 /nfs/dbraw/zinc/79/62/12/349796212.db2.gz PLHSAUSZQCKKSL-CXQJBGSLSA-N 1 2 237.347 1.573 20 30 BDEDLO C=CCCCn1cc(C[NH2+]CC#CC)nn1 ZINC000640935951 362074561 /nfs/dbraw/zinc/07/45/61/362074561.db2.gz LPOSVIKQZLXHHL-UHFFFAOYSA-N 1 2 218.304 1.357 20 30 BDEDLO CCCCCNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602866246 349798171 /nfs/dbraw/zinc/79/81/71/349798171.db2.gz ZPLLOFFOJLIBJY-JTQLQIEISA-N 1 2 211.309 1.185 20 30 BDEDLO N#CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000308939034 136274366 /nfs/dbraw/zinc/27/43/66/136274366.db2.gz PGGKECVFNDSOPS-HBNTYKKESA-N 1 2 206.289 1.447 20 30 BDEDLO C[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602871262 349802721 /nfs/dbraw/zinc/80/27/21/349802721.db2.gz PIZXCZRXXURDFN-NWDGAFQWSA-N 1 2 245.326 1.756 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000609030964 343261001 /nfs/dbraw/zinc/26/10/01/343261001.db2.gz YOSCPQOJCZORNC-AAEUAGOBSA-N 1 2 245.326 1.708 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000609030965 343261217 /nfs/dbraw/zinc/26/12/17/343261217.db2.gz YOSCPQOJCZORNC-DGCLKSJQSA-N 1 2 245.326 1.708 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000048584144 343367425 /nfs/dbraw/zinc/36/74/25/343367425.db2.gz WDDRAWTXPQQENQ-UHFFFAOYSA-N 1 2 218.256 1.163 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000048584144 343367428 /nfs/dbraw/zinc/36/74/28/343367428.db2.gz WDDRAWTXPQQENQ-UHFFFAOYSA-N 1 2 218.256 1.163 20 30 BDEDLO C=CC(C)(C)CCNc1nc(C)[nH+]c(N)n1 ZINC000631383578 343374394 /nfs/dbraw/zinc/37/43/94/343374394.db2.gz GVGVVNWRUIQGGD-UHFFFAOYSA-N 1 2 221.308 1.029 20 30 BDEDLO C=CC(C)(C)CCNc1nc(N)nc(C)[nH+]1 ZINC000631383578 343374396 /nfs/dbraw/zinc/37/43/96/343374396.db2.gz GVGVVNWRUIQGGD-UHFFFAOYSA-N 1 2 221.308 1.029 20 30 BDEDLO C=CC[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609313020 343406716 /nfs/dbraw/zinc/40/67/16/343406716.db2.gz KNVVFXFINGSEOY-UHFFFAOYSA-N 1 2 217.268 1.975 20 30 BDEDLO C=CC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609313020 343406718 /nfs/dbraw/zinc/40/67/18/343406718.db2.gz KNVVFXFINGSEOY-UHFFFAOYSA-N 1 2 217.268 1.975 20 30 BDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2C[C@@H]2C)nn1 ZINC000641079481 362193343 /nfs/dbraw/zinc/19/33/43/362193343.db2.gz FDYJKRNVUCQTJD-WDEREUQCSA-N 1 2 218.304 1.047 20 30 BDEDLO C[C@]1(NC(=O)CCc2[nH]cc[nH+]2)CCOC1 ZINC000329563880 136353093 /nfs/dbraw/zinc/35/30/93/136353093.db2.gz SCJBSMDUKRIRNY-NSHDSACASA-N 1 2 223.276 1.478 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000042323914 343434520 /nfs/dbraw/zinc/43/45/20/343434520.db2.gz TYDJSURCMUNTKF-WDEREUQCSA-N 1 2 225.336 1.383 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000042323914 343434521 /nfs/dbraw/zinc/43/45/21/343434521.db2.gz TYDJSURCMUNTKF-WDEREUQCSA-N 1 2 225.336 1.383 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000329564745 136366225 /nfs/dbraw/zinc/36/62/25/136366225.db2.gz SIGVIQBKRJLTIZ-WPRPVWTQSA-N 1 2 223.276 1.476 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000329564745 136366226 /nfs/dbraw/zinc/36/62/26/136366226.db2.gz SIGVIQBKRJLTIZ-WPRPVWTQSA-N 1 2 223.276 1.476 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)C#N ZINC000350993565 136366565 /nfs/dbraw/zinc/36/65/65/136366565.db2.gz QUPPOYMUWHMZNX-JTQLQIEISA-N 1 2 249.318 1.121 20 30 BDEDLO COC1(C[N@@H+]2CC[C@](F)(C#N)C2)CCCC1 ZINC000616734292 343556073 /nfs/dbraw/zinc/55/60/73/343556073.db2.gz ZHSLMCGAUXKSQA-NSHDSACASA-N 1 2 226.295 1.883 20 30 BDEDLO COC1(C[N@H+]2CC[C@](F)(C#N)C2)CCCC1 ZINC000616734292 343556075 /nfs/dbraw/zinc/55/60/75/343556075.db2.gz ZHSLMCGAUXKSQA-NSHDSACASA-N 1 2 226.295 1.883 20 30 BDEDLO Cc1ccnc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000616751310 343559796 /nfs/dbraw/zinc/55/97/96/343559796.db2.gz NPIWPUHQVYGFPA-LLVKDONJSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccnc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000616751310 343559798 /nfs/dbraw/zinc/55/97/98/343559798.db2.gz NPIWPUHQVYGFPA-LLVKDONJSA-N 1 2 203.289 1.982 20 30 BDEDLO COc1ncc(C[NH2+]C[C@@H](C)C#N)s1 ZINC000379506501 343569227 /nfs/dbraw/zinc/56/92/27/343569227.db2.gz QPSWHGFIJNIEGU-ZETCQYMHSA-N 1 2 211.290 1.401 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000071140368 343621615 /nfs/dbraw/zinc/62/16/15/343621615.db2.gz LTMQLSCPKIQPBM-CYBMUJFWSA-N 1 2 234.274 1.654 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000071140368 343621617 /nfs/dbraw/zinc/62/16/17/343621617.db2.gz LTMQLSCPKIQPBM-CYBMUJFWSA-N 1 2 234.274 1.654 20 30 BDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ncn1 ZINC000602981538 349831552 /nfs/dbraw/zinc/83/15/52/349831552.db2.gz FTHZCGDYBDWRBJ-YPMHNXCESA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)ncn1 ZINC000602981538 349831555 /nfs/dbraw/zinc/83/15/55/349831555.db2.gz FTHZCGDYBDWRBJ-YPMHNXCESA-N 1 2 230.315 1.909 20 30 BDEDLO C[N@H+](CC(=O)N1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602976254 349841441 /nfs/dbraw/zinc/84/14/41/349841441.db2.gz NFIKPDQBOZSLTN-QWHCGFSZSA-N 1 2 249.358 1.623 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602976254 349841444 /nfs/dbraw/zinc/84/14/44/349841444.db2.gz NFIKPDQBOZSLTN-QWHCGFSZSA-N 1 2 249.358 1.623 20 30 BDEDLO C[N@H+](Cc1ccnc(N)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980462 349844792 /nfs/dbraw/zinc/84/47/92/349844792.db2.gz QIESMORPVILAIW-NWDGAFQWSA-N 1 2 230.315 1.618 20 30 BDEDLO C[N@@H+](Cc1ccnc(N)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980462 349844798 /nfs/dbraw/zinc/84/47/98/349844798.db2.gz QIESMORPVILAIW-NWDGAFQWSA-N 1 2 230.315 1.618 20 30 BDEDLO C[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@H]1C#N ZINC000602980288 349845514 /nfs/dbraw/zinc/84/55/14/349845514.db2.gz OEQOWFJOESOPFR-QWRGUYRKSA-N 1 2 203.289 1.914 20 30 BDEDLO C[N@@H+](CC1(C#N)CC1)[C@H]1CCC[C@H]1C#N ZINC000602980288 349845516 /nfs/dbraw/zinc/84/55/16/349845516.db2.gz OEQOWFJOESOPFR-QWRGUYRKSA-N 1 2 203.289 1.914 20 30 BDEDLO Cc1ncc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000602980782 349846149 /nfs/dbraw/zinc/84/61/49/349846149.db2.gz VNKDAWNDCJEOHS-QWHCGFSZSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1ncc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000602980782 349846152 /nfs/dbraw/zinc/84/61/52/349846152.db2.gz VNKDAWNDCJEOHS-QWHCGFSZSA-N 1 2 230.315 1.909 20 30 BDEDLO CN(Cc1cn(C)c[nH+]1)[C@H]1CCC[C@H]1C#N ZINC000602980695 349846303 /nfs/dbraw/zinc/84/63/03/349846303.db2.gz UEDWTGHYFKQKQF-JQWIXIFHSA-N 1 2 218.304 1.544 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603001213 349852222 /nfs/dbraw/zinc/85/22/22/349852222.db2.gz BBWOPEWOWZXNKR-GFCCVEGCSA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603001213 349852224 /nfs/dbraw/zinc/85/22/24/349852224.db2.gz BBWOPEWOWZXNKR-GFCCVEGCSA-N 1 2 227.304 1.217 20 30 BDEDLO C=C[C@H](C)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418748860 192066552 /nfs/dbraw/zinc/06/65/52/192066552.db2.gz BMIWOJHETNHHBZ-DTWKUNHWSA-N 1 2 247.289 1.105 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1C#N ZINC000334535552 343890279 /nfs/dbraw/zinc/89/02/79/343890279.db2.gz SKLIXCNKWDUWMG-AWEZNQCLSA-N 1 2 245.326 1.508 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1C#N ZINC000334535552 343890282 /nfs/dbraw/zinc/89/02/82/343890282.db2.gz SKLIXCNKWDUWMG-AWEZNQCLSA-N 1 2 245.326 1.508 20 30 BDEDLO N#C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000180071617 347012817 /nfs/dbraw/zinc/01/28/17/347012817.db2.gz KPCRTYACRPDZIN-GFCCVEGCSA-N 1 2 242.282 1.059 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@H](F)C2)c(C#N)c[nH+]1 ZINC000335117741 343929681 /nfs/dbraw/zinc/92/96/81/343929681.db2.gz MYQFXBYGSFZFOO-QWRGUYRKSA-N 1 2 219.263 1.986 20 30 BDEDLO C[N@@H+](CCC#N)CCOCCOc1ccccc1 ZINC000083218747 344172662 /nfs/dbraw/zinc/17/26/62/344172662.db2.gz CQSCIFSSGBHKCN-UHFFFAOYSA-N 1 2 248.326 1.927 20 30 BDEDLO C[N@H+](CCC#N)CCOCCOc1ccccc1 ZINC000083218747 344172664 /nfs/dbraw/zinc/17/26/64/344172664.db2.gz CQSCIFSSGBHKCN-UHFFFAOYSA-N 1 2 248.326 1.927 20 30 BDEDLO N#CC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC000588820318 344193827 /nfs/dbraw/zinc/19/38/27/344193827.db2.gz WZKMVBIFHDQIRU-UHFFFAOYSA-N 1 2 240.266 1.967 20 30 BDEDLO C[C@@H](CF)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000588851131 344195581 /nfs/dbraw/zinc/19/55/81/344195581.db2.gz HGCXMFUZNYNMOV-QMMMGPOBSA-N 1 2 248.265 1.510 20 30 BDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CC#N)C1 ZINC000408225389 344265402 /nfs/dbraw/zinc/26/54/02/344265402.db2.gz SYRPEUCMKWBEII-NSHDSACASA-N 1 2 246.314 1.115 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000278858307 344319185 /nfs/dbraw/zinc/31/91/85/344319185.db2.gz WEXXOWGJQBUCOR-ZYHUDNBSSA-N 1 2 218.304 1.890 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000491711840 259376119 /nfs/dbraw/zinc/37/61/19/259376119.db2.gz WUEJTVVYZHAKRU-TUAOUCFPSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000491711840 259376120 /nfs/dbraw/zinc/37/61/20/259376120.db2.gz WUEJTVVYZHAKRU-TUAOUCFPSA-N 1 2 220.316 1.156 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068766011 344493429 /nfs/dbraw/zinc/49/34/29/344493429.db2.gz VXOAMOFFVZAAHH-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000068766011 344493431 /nfs/dbraw/zinc/49/34/31/344493431.db2.gz VXOAMOFFVZAAHH-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370904269 344550344 /nfs/dbraw/zinc/55/03/44/344550344.db2.gz IGWOMLROJIGUQW-LBPRGKRZSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370904269 344550347 /nfs/dbraw/zinc/55/03/47/344550347.db2.gz IGWOMLROJIGUQW-LBPRGKRZSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CC[N@@H+](CC[C@H]1CCNC1=O)C1CCCC1 ZINC000395842534 344564948 /nfs/dbraw/zinc/56/49/48/344564948.db2.gz IQLNVSLCAZVZLV-LLVKDONJSA-N 1 2 235.331 1.281 20 30 BDEDLO N#CC[N@H+](CC[C@H]1CCNC1=O)C1CCCC1 ZINC000395842534 344564952 /nfs/dbraw/zinc/56/49/52/344564952.db2.gz IQLNVSLCAZVZLV-LLVKDONJSA-N 1 2 235.331 1.281 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000181597685 347065045 /nfs/dbraw/zinc/06/50/45/347065045.db2.gz ZFXNDAUUVABTSB-SECBINFHSA-N 1 2 240.278 1.806 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152731920 344658723 /nfs/dbraw/zinc/65/87/23/344658723.db2.gz PZUYJKIAKAXMMX-WDEREUQCSA-N 1 2 233.315 1.526 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H]1CC[C@H](C)O1 ZINC000300071180 344727116 /nfs/dbraw/zinc/72/71/16/344727116.db2.gz UUJFBPNZQFBYPL-RYUDHWBXSA-N 1 2 226.320 1.416 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CC[C@H](C)O1 ZINC000300071180 344727119 /nfs/dbraw/zinc/72/71/19/344727119.db2.gz UUJFBPNZQFBYPL-RYUDHWBXSA-N 1 2 226.320 1.416 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN(CCCF)CC1 ZINC000626070869 344713997 /nfs/dbraw/zinc/71/39/97/344713997.db2.gz FUANKUVDFBOSGA-CYBMUJFWSA-N 1 2 226.339 1.766 20 30 BDEDLO C=CCCCN1CC[NH+](CCCF)CC1 ZINC000626072241 344716286 /nfs/dbraw/zinc/71/62/86/344716286.db2.gz NJAZWBYKZGPEFU-UHFFFAOYSA-N 1 2 214.328 1.930 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926346 344973506 /nfs/dbraw/zinc/97/35/06/344973506.db2.gz GQDHDXNZIVXTLD-VIFPVBQESA-N 1 2 219.244 1.844 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C)c1C ZINC000330997858 345006349 /nfs/dbraw/zinc/00/63/49/345006349.db2.gz UOYGSIQJUMGKGU-UHFFFAOYSA-N 1 2 233.275 1.265 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641619130 362552981 /nfs/dbraw/zinc/55/29/81/362552981.db2.gz BBIWRLBTHNCBPA-MNOVXSKESA-N 1 2 220.272 1.329 20 30 BDEDLO C=CCOCCCC(=O)NCc1[nH+]ccn1C ZINC000080006230 345078653 /nfs/dbraw/zinc/07/86/53/345078653.db2.gz AXWHLVMTPQQFDD-UHFFFAOYSA-N 1 2 237.303 1.019 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]cc1F ZINC000641621965 362554266 /nfs/dbraw/zinc/55/42/66/362554266.db2.gz VNUQJDMAHFCFNL-NEPJUHHUSA-N 1 2 222.263 1.788 20 30 BDEDLO CC[C@@H](C#N)Sc1[nH+]cnc2c1cnn2C ZINC000127410616 345179535 /nfs/dbraw/zinc/17/95/35/345179535.db2.gz CZZJEEBPHFUEER-ZETCQYMHSA-N 1 2 233.300 1.758 20 30 BDEDLO C#CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158560480 345348932 /nfs/dbraw/zinc/34/89/32/345348932.db2.gz UUGQUYCGFNLAMV-OAHLLOKOSA-N 1 2 227.307 1.794 20 30 BDEDLO C#CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158560480 345348934 /nfs/dbraw/zinc/34/89/34/345348934.db2.gz UUGQUYCGFNLAMV-OAHLLOKOSA-N 1 2 227.307 1.794 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000335461876 345375369 /nfs/dbraw/zinc/37/53/69/345375369.db2.gz RLSVSPQQRZTERU-MWLCHTKSSA-N 1 2 204.277 1.500 20 30 BDEDLO COc1ccc(C[N@H+](C)CCC#N)cc1O ZINC000080963862 345455660 /nfs/dbraw/zinc/45/56/60/345455660.db2.gz IXOKZARSODCDDJ-UHFFFAOYSA-N 1 2 220.272 1.746 20 30 BDEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1O ZINC000080963862 345455661 /nfs/dbraw/zinc/45/56/61/345455661.db2.gz IXOKZARSODCDDJ-UHFFFAOYSA-N 1 2 220.272 1.746 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000083243101 345505713 /nfs/dbraw/zinc/50/57/13/345505713.db2.gz VJIONNYJECJSGK-UHFFFAOYSA-N 1 2 213.284 1.638 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2ccccc2n1C ZINC000083243101 345505714 /nfs/dbraw/zinc/50/57/14/345505714.db2.gz VJIONNYJECJSGK-UHFFFAOYSA-N 1 2 213.284 1.638 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000093090857 345657206 /nfs/dbraw/zinc/65/72/06/345657206.db2.gz KPCWUPZZCJNGIP-SECBINFHSA-N 1 2 238.360 1.943 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000093090857 345657208 /nfs/dbraw/zinc/65/72/08/345657208.db2.gz KPCWUPZZCJNGIP-SECBINFHSA-N 1 2 238.360 1.943 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(CC)s1 ZINC000093461342 345672979 /nfs/dbraw/zinc/67/29/79/345672979.db2.gz YQMUCBQKZYXXKO-UHFFFAOYSA-N 1 2 218.325 1.774 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000265985071 345838863 /nfs/dbraw/zinc/83/88/63/345838863.db2.gz HDJINOVQIRRTHK-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000265985071 345838867 /nfs/dbraw/zinc/83/88/67/345838867.db2.gz HDJINOVQIRRTHK-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO CCc1cc(N)nc(S[C@H](C#N)C2CC2)[nH+]1 ZINC000601081684 346022227 /nfs/dbraw/zinc/02/22/27/346022227.db2.gz SEIWHXPVZQAYGT-SECBINFHSA-N 1 2 234.328 1.846 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601035042 346002657 /nfs/dbraw/zinc/00/26/57/346002657.db2.gz ARNMZWWGNJPJFF-UHFFFAOYSA-N 1 2 244.298 1.120 20 30 BDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCC#N ZINC000586777658 346102814 /nfs/dbraw/zinc/10/28/14/346102814.db2.gz UOWCIWZUFKQYKB-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCC#N ZINC000586777658 346102815 /nfs/dbraw/zinc/10/28/15/346102815.db2.gz UOWCIWZUFKQYKB-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(C#N)CCC1 ZINC000331893597 346123638 /nfs/dbraw/zinc/12/36/38/346123638.db2.gz AQDFKYKMOSCHAH-UHFFFAOYSA-N 1 2 218.260 1.028 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587050715 346178993 /nfs/dbraw/zinc/17/89/93/346178993.db2.gz BZHGHXXJLLKBLK-SNVBAGLBSA-N 1 2 246.314 1.254 20 30 BDEDLO C=CCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861698 346462123 /nfs/dbraw/zinc/46/21/23/346462123.db2.gz FADNHZBEJWUQSG-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861698 346462125 /nfs/dbraw/zinc/46/21/25/346462125.db2.gz FADNHZBEJWUQSG-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000186116585 346493652 /nfs/dbraw/zinc/49/36/52/346493652.db2.gz UCLKCQDRRBYXGP-UHFFFAOYSA-N 1 2 215.256 1.592 20 30 BDEDLO COc1cc(CNc2c[nH]c[nH+]2)ccc1C#N ZINC000580139930 346551199 /nfs/dbraw/zinc/55/11/99/346551199.db2.gz SMWWSEDZFSZTIE-UHFFFAOYSA-N 1 2 228.255 1.902 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000589278436 346685322 /nfs/dbraw/zinc/68/53/22/346685322.db2.gz FFWJUPWKKYQTDB-IUCAKERBSA-N 1 2 233.258 1.691 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000589278436 346685323 /nfs/dbraw/zinc/68/53/23/346685323.db2.gz FFWJUPWKKYQTDB-IUCAKERBSA-N 1 2 233.258 1.691 20 30 BDEDLO COCC1(C[N@@H+]2CC[C@](F)(C#N)C2)CCC1 ZINC000589743218 346734417 /nfs/dbraw/zinc/73/44/17/346734417.db2.gz XNEQSQCIFXZKDO-LBPRGKRZSA-N 1 2 226.295 1.741 20 30 BDEDLO COCC1(C[N@H+]2CC[C@](F)(C#N)C2)CCC1 ZINC000589743218 346734419 /nfs/dbraw/zinc/73/44/19/346734419.db2.gz XNEQSQCIFXZKDO-LBPRGKRZSA-N 1 2 226.295 1.741 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1(C#N)CC1 ZINC000590154887 346782092 /nfs/dbraw/zinc/78/20/92/346782092.db2.gz XPZORNCNRISVLE-SNVBAGLBSA-N 1 2 232.287 1.082 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000590161145 346784920 /nfs/dbraw/zinc/78/49/20/346784920.db2.gz DBSWYHYMSICULD-UTLUCORTSA-N 1 2 248.248 1.942 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000590161145 346784921 /nfs/dbraw/zinc/78/49/21/346784921.db2.gz DBSWYHYMSICULD-UTLUCORTSA-N 1 2 248.248 1.942 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnn(CC(C)C)c1 ZINC000183318755 347124174 /nfs/dbraw/zinc/12/41/74/347124174.db2.gz SFVAEMZKIHIMQJ-UHFFFAOYSA-N 1 2 229.327 1.608 20 30 BDEDLO CN(C)C(=O)C[N@H+](C)CC#Cc1ccccc1 ZINC000191913948 347363149 /nfs/dbraw/zinc/36/31/49/347363149.db2.gz VQZIQVKLPQFQHD-UHFFFAOYSA-N 1 2 230.311 1.058 20 30 BDEDLO CN(C)C(=O)C[N@@H+](C)CC#Cc1ccccc1 ZINC000191913948 347363150 /nfs/dbraw/zinc/36/31/50/347363150.db2.gz VQZIQVKLPQFQHD-UHFFFAOYSA-N 1 2 230.311 1.058 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1CC(F)(F)C1)C(=O)OC ZINC000591376465 347650583 /nfs/dbraw/zinc/65/05/83/347650583.db2.gz KHQYJLFFQQWNBO-SECBINFHSA-N 1 2 233.258 1.739 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)Nc1ncncc1C#N ZINC000591946794 347717962 /nfs/dbraw/zinc/71/79/62/347717962.db2.gz DMGGDJNJUIDPQX-VIFPVBQESA-N 1 2 242.286 1.160 20 30 BDEDLO Cc1cc(N2CC(C(F)F)C2)c(C#N)c[nH+]1 ZINC000591821392 347701204 /nfs/dbraw/zinc/70/12/04/347701204.db2.gz QWMWUKOJCTVOCN-UHFFFAOYSA-N 1 2 223.226 1.963 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cn[nH]c1 ZINC000592102991 347734059 /nfs/dbraw/zinc/73/40/59/347734059.db2.gz KGXITRACLRUHDC-SECBINFHSA-N 1 2 227.271 1.527 20 30 BDEDLO C=C[C@H]([NH2+]CC1CCC(F)CC1)C(=O)OC ZINC000592445663 347779771 /nfs/dbraw/zinc/77/97/71/347779771.db2.gz WDTCPZJLQHFHSN-ILDUYXDCSA-N 1 2 229.295 1.832 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)C[C@@H]1O ZINC000592115652 347735861 /nfs/dbraw/zinc/73/58/61/347735861.db2.gz FYZAUKXQMOXKIG-LBPRGKRZSA-N 1 2 231.299 1.156 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)C[C@@H]1O ZINC000592115652 347735864 /nfs/dbraw/zinc/73/58/64/347735864.db2.gz FYZAUKXQMOXKIG-LBPRGKRZSA-N 1 2 231.299 1.156 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccncc2C#N)CCCO1 ZINC000592120520 347736843 /nfs/dbraw/zinc/73/68/43/347736843.db2.gz FDIZEUCSZYUNOT-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCCO1 ZINC000592120520 347736845 /nfs/dbraw/zinc/73/68/45/347736845.db2.gz FDIZEUCSZYUNOT-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CO[C@H](C)C[N@H+](C)Cc1ccncc1C#N ZINC000592123683 347738031 /nfs/dbraw/zinc/73/80/31/347738031.db2.gz XZMYMXYUSQOUNW-SNVBAGLBSA-N 1 2 219.288 1.420 20 30 BDEDLO CO[C@H](C)C[N@@H+](C)Cc1ccncc1C#N ZINC000592123683 347738034 /nfs/dbraw/zinc/73/80/34/347738034.db2.gz XZMYMXYUSQOUNW-SNVBAGLBSA-N 1 2 219.288 1.420 20 30 BDEDLO C[C@@H]1C[N@H+](CCC#N)CC2(CCCC2)O1 ZINC000592186598 347760636 /nfs/dbraw/zinc/76/06/36/347760636.db2.gz DOGMWLFZGPDRMN-LLVKDONJSA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@@H]1C[N@@H+](CCC#N)CC2(CCCC2)O1 ZINC000592186598 347760638 /nfs/dbraw/zinc/76/06/38/347760638.db2.gz DOGMWLFZGPDRMN-LLVKDONJSA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029295 347847418 /nfs/dbraw/zinc/84/74/18/347847418.db2.gz SQCXXCSPOGEIRP-ZJUUUORDSA-N 1 2 249.318 1.382 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029295 347847419 /nfs/dbraw/zinc/84/74/19/347847419.db2.gz SQCXXCSPOGEIRP-ZJUUUORDSA-N 1 2 249.318 1.382 20 30 BDEDLO C[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000593082527 347851637 /nfs/dbraw/zinc/85/16/37/347851637.db2.gz WNCQFGCYOSYNKT-QWRGUYRKSA-N 1 2 248.330 1.889 20 30 BDEDLO CC1(C[N@@H+]2Cc3cccc(C#N)c3C2)COC1 ZINC000593119801 347863240 /nfs/dbraw/zinc/86/32/40/347863240.db2.gz GYHIRDXNHWVFME-UHFFFAOYSA-N 1 2 228.295 1.910 20 30 BDEDLO CC1(C[N@H+]2Cc3cccc(C#N)c3C2)COC1 ZINC000593119801 347863243 /nfs/dbraw/zinc/86/32/43/347863243.db2.gz GYHIRDXNHWVFME-UHFFFAOYSA-N 1 2 228.295 1.910 20 30 BDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000593154511 347866878 /nfs/dbraw/zinc/86/68/78/347866878.db2.gz YVWGBOKKXNIUMB-ZWNOBZJWSA-N 1 2 249.314 1.343 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000594014764 347989731 /nfs/dbraw/zinc/98/97/31/347989731.db2.gz JWVFVXTYOGIISX-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000594014764 347989733 /nfs/dbraw/zinc/98/97/33/347989733.db2.gz JWVFVXTYOGIISX-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO C=CCSCCNc1nc[nH+]c(C)c1OC ZINC000594547617 348066764 /nfs/dbraw/zinc/06/67/64/348066764.db2.gz VEQVYJVGDZRSID-UHFFFAOYSA-N 1 2 239.344 1.547 20 30 BDEDLO C=CCCSCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000594708648 348103483 /nfs/dbraw/zinc/10/34/83/348103483.db2.gz ARDZIRIWXUDLAF-LLVKDONJSA-N 1 2 243.372 1.837 20 30 BDEDLO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000594711798 348104199 /nfs/dbraw/zinc/10/41/99/348104199.db2.gz QRLBVFOPZFBZIE-ZDUSSCGKSA-N 1 2 246.310 1.642 20 30 BDEDLO C[C@](O)(C[NH+]1CC(CC#N)C1)C(F)(F)F ZINC000594716924 348106304 /nfs/dbraw/zinc/10/63/04/348106304.db2.gz ZANLGZOPYVSZKZ-QMMMGPOBSA-N 1 2 222.210 1.145 20 30 BDEDLO C=C[C@H]([NH2+]CCC1CC(OC)C1)C(=O)OC ZINC000594725200 348108253 /nfs/dbraw/zinc/10/82/53/348108253.db2.gz VOOAHHZIYBEXIK-ILDUYXDCSA-N 1 2 227.304 1.119 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)C(=O)OC ZINC000594730039 348113231 /nfs/dbraw/zinc/11/32/31/348113231.db2.gz QSZQQRNRPWCEPG-YFKTTZPYSA-N 1 2 223.316 1.740 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000594615442 348084151 /nfs/dbraw/zinc/08/41/51/348084151.db2.gz SUDHPRFTGRELQV-UHFFFAOYSA-N 1 2 230.315 1.613 20 30 BDEDLO COCc1n[nH]c(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000595069387 348188146 /nfs/dbraw/zinc/18/81/46/348188146.db2.gz RZIRGALDLQPGPZ-NXEZZACHSA-N 1 2 249.318 1.123 20 30 BDEDLO COCc1nnc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[nH]1 ZINC000595069387 348188147 /nfs/dbraw/zinc/18/81/47/348188147.db2.gz RZIRGALDLQPGPZ-NXEZZACHSA-N 1 2 249.318 1.123 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000595401583 348238284 /nfs/dbraw/zinc/23/82/84/348238284.db2.gz FCPNBHLBLPCLKH-UWVGGRQHSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000595401583 348238286 /nfs/dbraw/zinc/23/82/86/348238286.db2.gz FCPNBHLBLPCLKH-UWVGGRQHSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000595401584 348239365 /nfs/dbraw/zinc/23/93/65/348239365.db2.gz FCPNBHLBLPCLKH-VHSXEESVSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000595401584 348239369 /nfs/dbraw/zinc/23/93/69/348239369.db2.gz FCPNBHLBLPCLKH-VHSXEESVSA-N 1 2 204.277 1.534 20 30 BDEDLO Cn1c[nH+]c(CN2CCC[C@](C)(C#N)C2)c1 ZINC000595422988 348245513 /nfs/dbraw/zinc/24/55/13/348245513.db2.gz CUSFPTGQVILJLT-GFCCVEGCSA-N 1 2 218.304 1.546 20 30 BDEDLO CCN1CC[C@@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595422548 348245549 /nfs/dbraw/zinc/24/55/49/348245549.db2.gz APFDAKOIGRWEGU-DGCLKSJQSA-N 1 2 235.331 1.233 20 30 BDEDLO CCN1CC[C@@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595422548 348245550 /nfs/dbraw/zinc/24/55/50/348245550.db2.gz APFDAKOIGRWEGU-DGCLKSJQSA-N 1 2 235.331 1.233 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](COC)OC ZINC000595503002 348264048 /nfs/dbraw/zinc/26/40/48/348264048.db2.gz YLLCZOTYGWOANP-LLVKDONJSA-N 1 2 212.293 1.049 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](COC)OC ZINC000595503002 348264050 /nfs/dbraw/zinc/26/40/50/348264050.db2.gz YLLCZOTYGWOANP-LLVKDONJSA-N 1 2 212.293 1.049 20 30 BDEDLO Cc1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)o1 ZINC000595559451 348280997 /nfs/dbraw/zinc/28/09/97/348280997.db2.gz SCHXMLFLTUDPAL-LBPRGKRZSA-N 1 2 235.287 1.142 20 30 BDEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)o1 ZINC000595559451 348280999 /nfs/dbraw/zinc/28/09/99/348280999.db2.gz SCHXMLFLTUDPAL-LBPRGKRZSA-N 1 2 235.287 1.142 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569412 348284801 /nfs/dbraw/zinc/28/48/01/348284801.db2.gz XZQPAWFMAXXEEZ-DCAQKATOSA-N 1 2 209.289 1.588 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569412 348284803 /nfs/dbraw/zinc/28/48/03/348284803.db2.gz XZQPAWFMAXXEEZ-DCAQKATOSA-N 1 2 209.289 1.588 20 30 BDEDLO Cn1ccnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617428 348289823 /nfs/dbraw/zinc/28/98/23/348289823.db2.gz ZTLAGEVCZKZEAO-LLVKDONJSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1ccnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617428 348289825 /nfs/dbraw/zinc/28/98/25/348289825.db2.gz ZTLAGEVCZKZEAO-LLVKDONJSA-N 1 2 218.304 1.546 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C[C@@H](C#N)CCC#N ZINC000595596793 348295128 /nfs/dbraw/zinc/29/51/28/348295128.db2.gz NLFBRSUPXQVOIP-SNVBAGLBSA-N 1 2 217.276 1.285 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C[C@@H](C#N)CCC#N ZINC000595596793 348295132 /nfs/dbraw/zinc/29/51/32/348295132.db2.gz NLFBRSUPXQVOIP-SNVBAGLBSA-N 1 2 217.276 1.285 20 30 BDEDLO C[C@H](C#N)[N@H+](CCCC(=O)N(C)C)C1CC1 ZINC000595708933 348320181 /nfs/dbraw/zinc/32/01/81/348320181.db2.gz AMNMUMLQFJNKSA-SNVBAGLBSA-N 1 2 223.320 1.231 20 30 BDEDLO C[C@H](C#N)[N@@H+](CCCC(=O)N(C)C)C1CC1 ZINC000595708933 348320184 /nfs/dbraw/zinc/32/01/84/348320184.db2.gz AMNMUMLQFJNKSA-SNVBAGLBSA-N 1 2 223.320 1.231 20 30 BDEDLO COC(=O)C1(C[N@H+]([C@H](C)C#N)C2CC2)CC1 ZINC000595709016 348320484 /nfs/dbraw/zinc/32/04/84/348320484.db2.gz BKLCQIQDKZGPDQ-SECBINFHSA-N 1 2 222.288 1.316 20 30 BDEDLO COC(=O)C1(C[N@@H+]([C@H](C)C#N)C2CC2)CC1 ZINC000595709016 348320486 /nfs/dbraw/zinc/32/04/86/348320486.db2.gz BKLCQIQDKZGPDQ-SECBINFHSA-N 1 2 222.288 1.316 20 30 BDEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2CO)ccc1C#N ZINC000595717425 348326676 /nfs/dbraw/zinc/32/66/76/348326676.db2.gz MBQZGQMJTMDZAL-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1cc(C[N@H+]2CCOC[C@H]2CO)ccc1C#N ZINC000595717425 348326678 /nfs/dbraw/zinc/32/66/78/348326678.db2.gz MBQZGQMJTMDZAL-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835004 348368397 /nfs/dbraw/zinc/36/83/97/348368397.db2.gz ODYMOFGSMGFIJH-PWSUYJOCSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835004 348368398 /nfs/dbraw/zinc/36/83/98/348368398.db2.gz ODYMOFGSMGFIJH-PWSUYJOCSA-N 1 2 223.320 1.137 20 30 BDEDLO C[C@@]1(C#N)CCN(CC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595840287 348373202 /nfs/dbraw/zinc/37/32/02/348373202.db2.gz MXGWVGWZIJISDU-KBPBESRZSA-N 1 2 246.358 1.458 20 30 BDEDLO C[C@@]1(C#N)CCN(CC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595840287 348373206 /nfs/dbraw/zinc/37/32/06/348373206.db2.gz MXGWVGWZIJISDU-KBPBESRZSA-N 1 2 246.358 1.458 20 30 BDEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840420 348374320 /nfs/dbraw/zinc/37/43/20/348374320.db2.gz AYFALPQHVKIFPR-LBPRGKRZSA-N 1 2 233.319 1.342 20 30 BDEDLO CCn1nnc(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840420 348374323 /nfs/dbraw/zinc/37/43/23/348374323.db2.gz AYFALPQHVKIFPR-LBPRGKRZSA-N 1 2 233.319 1.342 20 30 BDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841142 348376025 /nfs/dbraw/zinc/37/60/25/348376025.db2.gz IKNCKAIFPFAZQT-AWEZNQCLSA-N 1 2 244.342 1.883 20 30 BDEDLO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841142 348376030 /nfs/dbraw/zinc/37/60/30/348376030.db2.gz IKNCKAIFPFAZQT-AWEZNQCLSA-N 1 2 244.342 1.883 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000595842041 348376901 /nfs/dbraw/zinc/37/69/01/348376901.db2.gz BQCXFZDWOYQXIV-CYBMUJFWSA-N 1 2 226.283 1.689 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000595842041 348376904 /nfs/dbraw/zinc/37/69/04/348376904.db2.gz BQCXFZDWOYQXIV-CYBMUJFWSA-N 1 2 226.283 1.689 20 30 BDEDLO CC(C)(C)N1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595842621 348378695 /nfs/dbraw/zinc/37/86/95/348378695.db2.gz UCECTWBGPWFXMQ-FZMZJTMJSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)(C)N1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595842621 348378700 /nfs/dbraw/zinc/37/87/00/348378700.db2.gz UCECTWBGPWFXMQ-FZMZJTMJSA-N 1 2 249.358 1.621 20 30 BDEDLO Cn1nccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844768 348354463 /nfs/dbraw/zinc/35/44/63/348354463.db2.gz VNTSFZZPLXZCTP-LLVKDONJSA-N 1 2 204.277 1.156 20 30 BDEDLO Cn1nccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844768 348354466 /nfs/dbraw/zinc/35/44/66/348354466.db2.gz VNTSFZZPLXZCTP-LLVKDONJSA-N 1 2 204.277 1.156 20 30 BDEDLO C=CCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531362390 348428654 /nfs/dbraw/zinc/42/86/54/348428654.db2.gz SNURCCUXDIEVGE-UHFFFAOYSA-N 1 2 219.288 1.623 20 30 BDEDLO C[C@H](O)[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000596066482 348436703 /nfs/dbraw/zinc/43/67/03/348436703.db2.gz DUNWHSJRJPIKGG-JQWIXIFHSA-N 1 2 204.273 1.612 20 30 BDEDLO CCn1nccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000596070885 348438192 /nfs/dbraw/zinc/43/81/92/348438192.db2.gz UKUFNLOSUFQFJK-NSHDSACASA-N 1 2 231.303 1.436 20 30 BDEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)c2[nH+]ccn21 ZINC000596257328 348476772 /nfs/dbraw/zinc/47/67/72/348476772.db2.gz MTQDMEJEQCFDHQ-SCZZXKLOSA-N 1 2 240.270 1.085 20 30 BDEDLO C=CCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596407938 348536104 /nfs/dbraw/zinc/53/61/04/348536104.db2.gz CVFIAUJUGFBMDC-UHFFFAOYSA-N 1 2 220.272 1.207 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)[C@H](C)CC#N ZINC000597018143 348651121 /nfs/dbraw/zinc/65/11/21/348651121.db2.gz CWELEXLHAYYFPG-MRVPVSSYSA-N 1 2 219.244 1.578 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000597083596 348659380 /nfs/dbraw/zinc/65/93/80/348659380.db2.gz SVNOSRMTDJFLDC-SECBINFHSA-N 1 2 204.277 1.079 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)CC#N ZINC000597171522 348668294 /nfs/dbraw/zinc/66/82/94/348668294.db2.gz UFHOAYJZMGMGBV-QMMMGPOBSA-N 1 2 203.245 1.300 20 30 BDEDLO Cc1cc(NC(=O)N2CC[C@](C)(C#N)C2)cc[nH+]1 ZINC000596817190 348625385 /nfs/dbraw/zinc/62/53/85/348625385.db2.gz OLSVLSLFQDOQQO-CYBMUJFWSA-N 1 2 244.298 1.579 20 30 BDEDLO COCc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000597175745 348669353 /nfs/dbraw/zinc/66/93/53/348669353.db2.gz DKXZBZIWCWCDSU-NSHDSACASA-N 1 2 249.314 1.947 20 30 BDEDLO COCc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000597175745 348669355 /nfs/dbraw/zinc/66/93/55/348669355.db2.gz DKXZBZIWCWCDSU-NSHDSACASA-N 1 2 249.314 1.947 20 30 BDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)c(C)o1 ZINC000597203589 348677858 /nfs/dbraw/zinc/67/78/58/348677858.db2.gz LRBNHFPNHHIFIH-UHFFFAOYSA-N 1 2 248.282 1.720 20 30 BDEDLO CCc1nocc1C[NH+]1CC(CC#N)C1 ZINC000597203599 348677904 /nfs/dbraw/zinc/67/79/04/348677904.db2.gz MBNFNQDBQLJBTE-UHFFFAOYSA-N 1 2 205.261 1.582 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000597231628 348699252 /nfs/dbraw/zinc/69/92/52/348699252.db2.gz ZMNWKOBKLIZGML-ZDUSSCGKSA-N 1 2 241.298 1.465 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000597231628 348699254 /nfs/dbraw/zinc/69/92/54/348699254.db2.gz ZMNWKOBKLIZGML-ZDUSSCGKSA-N 1 2 241.298 1.465 20 30 BDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)C#N ZINC000597489430 348744799 /nfs/dbraw/zinc/74/47/99/348744799.db2.gz JEYCXPDDMQJBLO-NXEZZACHSA-N 1 2 246.314 1.190 20 30 BDEDLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H](C)C#N ZINC000598358754 348943725 /nfs/dbraw/zinc/94/37/25/348943725.db2.gz QVZBVVBSJNEHKX-MNOVXSKESA-N 1 2 246.314 1.206 20 30 BDEDLO C[C@H](C#N)N(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000598138651 348906170 /nfs/dbraw/zinc/90/61/70/348906170.db2.gz SCZZDYMBXPIRML-SECBINFHSA-N 1 2 232.287 1.245 20 30 BDEDLO C[C@H](C#N)N(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000598138651 348906171 /nfs/dbraw/zinc/90/61/71/348906171.db2.gz SCZZDYMBXPIRML-SECBINFHSA-N 1 2 232.287 1.245 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598837346 349053010 /nfs/dbraw/zinc/05/30/10/349053010.db2.gz VKOKTMWHVAGULM-SFTQSGBHSA-N 1 2 249.358 1.383 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)C#N ZINC000598738727 349036197 /nfs/dbraw/zinc/03/61/97/349036197.db2.gz QRXCXDKMXMQPSJ-DTWKUNHWSA-N 1 2 220.276 1.240 20 30 BDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(F)cc1C#N ZINC000599161855 349108687 /nfs/dbraw/zinc/10/86/87/349108687.db2.gz XBUJWMRUXNJKKP-GFCCVEGCSA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(F)cc1C#N ZINC000599161855 349108690 /nfs/dbraw/zinc/10/86/90/349108690.db2.gz XBUJWMRUXNJKKP-GFCCVEGCSA-N 1 2 249.289 1.440 20 30 BDEDLO C=CC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000307004289 349146921 /nfs/dbraw/zinc/14/69/21/349146921.db2.gz CSPIWOCFOWWXSL-OPQQBVKSSA-N 1 2 201.335 1.404 20 30 BDEDLO C=CC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000307004289 349146924 /nfs/dbraw/zinc/14/69/24/349146924.db2.gz CSPIWOCFOWWXSL-OPQQBVKSSA-N 1 2 201.335 1.404 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CO)cc1C#N ZINC000599386747 349167888 /nfs/dbraw/zinc/16/78/88/349167888.db2.gz WXMICAMFXYUDLV-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1ccc(C[N@H+]2CCOC[C@H]2CO)cc1C#N ZINC000599386747 349167890 /nfs/dbraw/zinc/16/78/90/349167890.db2.gz WXMICAMFXYUDLV-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCC[C@H]1C#N ZINC000601815766 349350199 /nfs/dbraw/zinc/35/01/99/349350199.db2.gz JYZAKBGHBGIABR-NWDGAFQWSA-N 1 2 249.358 1.479 20 30 BDEDLO CN1CCCC[C@@H]([N@H+](C)CC2(C#N)CC2)C1=O ZINC000601970716 349407582 /nfs/dbraw/zinc/40/75/82/349407582.db2.gz PEINQWLOCYBABX-LLVKDONJSA-N 1 2 235.331 1.233 20 30 BDEDLO CN1CCCC[C@@H]([N@@H+](C)CC2(C#N)CC2)C1=O ZINC000601970716 349407584 /nfs/dbraw/zinc/40/75/84/349407584.db2.gz PEINQWLOCYBABX-LLVKDONJSA-N 1 2 235.331 1.233 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000601971668 349408516 /nfs/dbraw/zinc/40/85/16/349408516.db2.gz DMJPBPDRTVEWRT-VIFPVBQESA-N 1 2 230.258 1.646 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000601971668 349408518 /nfs/dbraw/zinc/40/85/18/349408518.db2.gz DMJPBPDRTVEWRT-VIFPVBQESA-N 1 2 230.258 1.646 20 30 BDEDLO COCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000005110549 350193539 /nfs/dbraw/zinc/19/35/39/350193539.db2.gz KCGZUWSAARRJEB-NTUHNPAUSA-N 1 2 238.287 1.043 20 30 BDEDLO CCC(=O)N1CC[N@H+](CCCCC#N)C1 ZINC000425507536 538068182 /nfs/dbraw/zinc/06/81/82/538068182.db2.gz GCHBCSCYZSJCQZ-UHFFFAOYSA-N 1 2 209.293 1.192 20 30 BDEDLO CCC(=O)N1CC[N@@H+](CCCCC#N)C1 ZINC000425507536 538068189 /nfs/dbraw/zinc/06/81/89/538068189.db2.gz GCHBCSCYZSJCQZ-UHFFFAOYSA-N 1 2 209.293 1.192 20 30 BDEDLO C[C@@H](O)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000336792706 350509317 /nfs/dbraw/zinc/50/93/17/350509317.db2.gz TUQFCYXQJHXGQS-CYBMUJFWSA-N 1 2 247.342 1.958 20 30 BDEDLO C[C@@H](O)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000336792706 350509323 /nfs/dbraw/zinc/50/93/23/350509323.db2.gz TUQFCYXQJHXGQS-CYBMUJFWSA-N 1 2 247.342 1.958 20 30 BDEDLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397567649 350917465 /nfs/dbraw/zinc/91/74/65/350917465.db2.gz CZZCBPOQVFXPNF-GFCCVEGCSA-N 1 2 247.346 1.985 20 30 BDEDLO CC(C)n1ncnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397567649 350917468 /nfs/dbraw/zinc/91/74/68/350917468.db2.gz CZZCBPOQVFXPNF-GFCCVEGCSA-N 1 2 247.346 1.985 20 30 BDEDLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397572888 350920650 /nfs/dbraw/zinc/92/06/50/350920650.db2.gz CMPOTKOFJXOCAZ-UWVGGRQHSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397572888 350920653 /nfs/dbraw/zinc/92/06/53/350920653.db2.gz CMPOTKOFJXOCAZ-UWVGGRQHSA-N 1 2 210.277 1.174 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](SC)C1 ZINC000382981902 351121412 /nfs/dbraw/zinc/12/14/12/351121412.db2.gz UOWAVYUGQDYXMW-BDAKNGLRSA-N 1 2 215.318 1.151 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](SC)C1 ZINC000382981902 351121414 /nfs/dbraw/zinc/12/14/14/351121414.db2.gz UOWAVYUGQDYXMW-BDAKNGLRSA-N 1 2 215.318 1.151 20 30 BDEDLO C=CCCCCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000631126010 351336868 /nfs/dbraw/zinc/33/68/68/351336868.db2.gz KJLRYABUZSDCAK-UHFFFAOYSA-N 1 2 235.335 1.775 20 30 BDEDLO C=CCCCCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000631126010 351336871 /nfs/dbraw/zinc/33/68/71/351336871.db2.gz KJLRYABUZSDCAK-UHFFFAOYSA-N 1 2 235.335 1.775 20 30 BDEDLO N#CCN(Cc1cccc2[nH+]ccn21)C1CC1 ZINC000271714553 351428801 /nfs/dbraw/zinc/42/88/01/351428801.db2.gz ICTFJOHCXKQDRA-UHFFFAOYSA-N 1 2 226.283 1.822 20 30 BDEDLO CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000336727832 351546678 /nfs/dbraw/zinc/54/66/78/351546678.db2.gz GUDRMRMREXJFSI-DCAQKATOSA-N 1 2 224.304 1.610 20 30 BDEDLO CO[C@@H](C)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405058321 351558569 /nfs/dbraw/zinc/55/85/69/351558569.db2.gz OTEAWOMVVZEHRO-JTQLQIEISA-N 1 2 216.284 1.909 20 30 BDEDLO CO[C@@H](C)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405058321 351558570 /nfs/dbraw/zinc/55/85/70/351558570.db2.gz OTEAWOMVVZEHRO-JTQLQIEISA-N 1 2 216.284 1.909 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC2(F)F)CC1 ZINC000405106344 351777226 /nfs/dbraw/zinc/77/72/26/351777226.db2.gz YLGGIENSWDOEKA-VIFPVBQESA-N 1 2 245.269 1.835 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)CC(C)(C)C#N ZINC000283420492 351969446 /nfs/dbraw/zinc/96/94/46/351969446.db2.gz MFRIVTKKKLWMKG-UHFFFAOYSA-N 1 2 220.276 1.274 20 30 BDEDLO NC(=[NH+]OCCc1ccccc1)[C@H]1CCCO1 ZINC000284042229 351989999 /nfs/dbraw/zinc/98/99/99/351989999.db2.gz JAIYEMHFSYGDID-GFCCVEGCSA-N 1 2 234.299 1.697 20 30 BDEDLO Cc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284472166 351997753 /nfs/dbraw/zinc/99/77/53/351997753.db2.gz RIMLKOHEXFRCJJ-GFCCVEGCSA-N 1 2 234.299 1.963 20 30 BDEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCCC#N)n1 ZINC000285470538 352044770 /nfs/dbraw/zinc/04/47/70/352044770.db2.gz ATRITPHDQLVPBR-JTQLQIEISA-N 1 2 220.276 1.819 20 30 BDEDLO Cc1noc([C@@H]2CCC[N@H+]2CCCC#N)n1 ZINC000285470538 352044772 /nfs/dbraw/zinc/04/47/72/352044772.db2.gz ATRITPHDQLVPBR-JTQLQIEISA-N 1 2 220.276 1.819 20 30 BDEDLO Cc1noc([C@H]2CCC[N@@H+]2CCCC#N)n1 ZINC000285470540 352045195 /nfs/dbraw/zinc/04/51/95/352045195.db2.gz ATRITPHDQLVPBR-SNVBAGLBSA-N 1 2 220.276 1.819 20 30 BDEDLO Cc1noc([C@H]2CCC[N@H+]2CCCC#N)n1 ZINC000285470540 352045198 /nfs/dbraw/zinc/04/51/98/352045198.db2.gz ATRITPHDQLVPBR-SNVBAGLBSA-N 1 2 220.276 1.819 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCC)Cc1ccccc1 ZINC000285845876 352061701 /nfs/dbraw/zinc/06/17/01/352061701.db2.gz WSDBDOMWOACPKX-UHFFFAOYSA-N 1 2 230.311 1.258 20 30 BDEDLO C#CC[N@H+](CC(=O)NCC)Cc1ccccc1 ZINC000285845876 352061704 /nfs/dbraw/zinc/06/17/04/352061704.db2.gz WSDBDOMWOACPKX-UHFFFAOYSA-N 1 2 230.311 1.258 20 30 BDEDLO N#Cc1sc(-n2cc[nH+]c2)nc1Cl ZINC000307321611 352015223 /nfs/dbraw/zinc/01/52/23/352015223.db2.gz XAIQORVQJPKYRR-UHFFFAOYSA-N 1 2 210.649 1.854 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340199333 352027119 /nfs/dbraw/zinc/02/71/19/352027119.db2.gz LHACBEKBRBFRIO-IUCAKERBSA-N 1 2 236.237 1.678 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340199333 352027120 /nfs/dbraw/zinc/02/71/20/352027120.db2.gz LHACBEKBRBFRIO-IUCAKERBSA-N 1 2 236.237 1.678 20 30 BDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(CC#N)C1 ZINC000289334798 352181112 /nfs/dbraw/zinc/18/11/12/352181112.db2.gz LGQLUMAULZKPEC-NSHDSACASA-N 1 2 246.314 1.124 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)CCn1cc[nH+]c1 ZINC000291423311 352275569 /nfs/dbraw/zinc/27/55/69/352275569.db2.gz KSBDRFFIJMAJAE-LBPRGKRZSA-N 1 2 232.287 1.082 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOCC1CC1 ZINC000300940557 363177248 /nfs/dbraw/zinc/17/72/48/363177248.db2.gz DNEUMWJMHWASFO-LLVKDONJSA-N 1 2 227.304 1.072 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOCC1CC1 ZINC000300940557 363177249 /nfs/dbraw/zinc/17/72/49/363177249.db2.gz DNEUMWJMHWASFO-LLVKDONJSA-N 1 2 227.304 1.072 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000292074427 352300455 /nfs/dbraw/zinc/30/04/55/352300455.db2.gz CYKJQQJKFCVPPA-GFCCVEGCSA-N 1 2 248.326 1.874 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000292074427 352300457 /nfs/dbraw/zinc/30/04/57/352300457.db2.gz CYKJQQJKFCVPPA-GFCCVEGCSA-N 1 2 248.326 1.874 20 30 BDEDLO C=CCN(CCC#N)CC[N@@H+](CC=C)CCC#N ZINC000292081329 352301382 /nfs/dbraw/zinc/30/13/82/352301382.db2.gz DPFOMSNTPIKXBH-UHFFFAOYSA-N 1 2 246.358 1.790 20 30 BDEDLO C=CCN(CCC#N)CC[N@H+](CC=C)CCC#N ZINC000292081329 352301384 /nfs/dbraw/zinc/30/13/84/352301384.db2.gz DPFOMSNTPIKXBH-UHFFFAOYSA-N 1 2 246.358 1.790 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC000292127003 352304366 /nfs/dbraw/zinc/30/43/66/352304366.db2.gz SALKVPCWEXSZHV-VIFPVBQESA-N 1 2 234.303 1.397 20 30 BDEDLO N#CCC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000411509761 191190401 /nfs/dbraw/zinc/19/04/01/191190401.db2.gz VLXBIGPEJXIZAV-NSHDSACASA-N 1 2 208.236 1.362 20 30 BDEDLO CC[C@H](C)[C@@H]1CN(CCC#N)CC[N@@H+]1CCC#N ZINC000411403406 191184370 /nfs/dbraw/zinc/18/43/70/191184370.db2.gz UPIRMAWCPBMECE-KBPBESRZSA-N 1 2 248.374 1.846 20 30 BDEDLO CC[C@H](C)[C@@H]1CN(CCC#N)CC[N@H+]1CCC#N ZINC000411403406 191184372 /nfs/dbraw/zinc/18/43/72/191184372.db2.gz UPIRMAWCPBMECE-KBPBESRZSA-N 1 2 248.374 1.846 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334315249 352946127 /nfs/dbraw/zinc/94/61/27/352946127.db2.gz QLYATTGQLONKEM-VHSXEESVSA-N 1 2 246.314 1.590 20 30 BDEDLO CC(C)[C@@H](C#N)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000609538211 353167436 /nfs/dbraw/zinc/16/74/36/353167436.db2.gz JJGFCHUROQDULU-GFCCVEGCSA-N 1 2 247.346 1.075 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330945810 353203223 /nfs/dbraw/zinc/20/32/23/353203223.db2.gz ACPBMJQHOYLUDB-VIFPVBQESA-N 1 2 234.303 1.496 20 30 BDEDLO Cc1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)nc1C ZINC000330959581 353204770 /nfs/dbraw/zinc/20/47/70/353204770.db2.gz AKCRPPYBTDRKSH-UHFFFAOYSA-N 1 2 245.286 1.630 20 30 BDEDLO Cc1nc(C)c(C(=O)NCc2c[nH]c[nH+]2)nc1C ZINC000330959581 353204771 /nfs/dbraw/zinc/20/47/71/353204771.db2.gz AKCRPPYBTDRKSH-UHFFFAOYSA-N 1 2 245.286 1.630 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(C)(C)C ZINC000250641162 353271588 /nfs/dbraw/zinc/27/15/88/353271588.db2.gz UCVNKUPBKGKNMS-WDEREUQCSA-N 1 2 239.363 1.771 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(C)(C)C ZINC000250641162 353271592 /nfs/dbraw/zinc/27/15/92/353271592.db2.gz UCVNKUPBKGKNMS-WDEREUQCSA-N 1 2 239.363 1.771 20 30 BDEDLO CC(C)(C#N)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000160589814 353266880 /nfs/dbraw/zinc/26/68/80/353266880.db2.gz VSPILUVMPIKXBK-LBPRGKRZSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)(C#N)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000160589814 353266884 /nfs/dbraw/zinc/26/68/84/353266884.db2.gz VSPILUVMPIKXBK-LBPRGKRZSA-N 1 2 249.358 1.527 20 30 BDEDLO C#CCCCCNC(=O)NCCCn1cc[nH+]c1 ZINC000177038167 188252553 /nfs/dbraw/zinc/25/25/53/188252553.db2.gz WEDCGNBFKHVCBK-UHFFFAOYSA-N 1 2 248.330 1.376 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn2cccnc2n1 ZINC000267372904 188260601 /nfs/dbraw/zinc/26/06/01/188260601.db2.gz YSLMQZNKNMIUTH-UHFFFAOYSA-N 1 2 214.272 1.184 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn2cccnc2n1 ZINC000267372904 188260602 /nfs/dbraw/zinc/26/06/02/188260602.db2.gz YSLMQZNKNMIUTH-UHFFFAOYSA-N 1 2 214.272 1.184 20 30 BDEDLO C=CCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000267347744 188261084 /nfs/dbraw/zinc/26/10/84/188261084.db2.gz ULYPBXPBMWSQPU-LBPRGKRZSA-N 1 2 235.331 1.992 20 30 BDEDLO CC#CCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000274623236 188265021 /nfs/dbraw/zinc/26/50/21/188265021.db2.gz PZBPMBKXYZWWTB-UHFFFAOYSA-N 1 2 219.288 1.528 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1cccc(Cl)c1 ZINC000076185159 353332165 /nfs/dbraw/zinc/33/21/65/353332165.db2.gz DNXPKJYQNGCXLB-CQSZACIVSA-N 1 2 247.725 1.942 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)NCc1[nH+]ccn1C ZINC000281864185 353456385 /nfs/dbraw/zinc/45/63/85/353456385.db2.gz NBMBRKHXLHKLKP-SNVBAGLBSA-N 1 2 236.319 1.574 20 30 BDEDLO 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C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](C)CO1 ZINC000336196766 134125988 /nfs/dbraw/zinc/12/59/88/134125988.db2.gz VNERSJLSBGEXSI-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CCN(CC=C)C(=O)COCc1[nH]cc[nH+]1 ZINC000123781457 358507195 /nfs/dbraw/zinc/50/71/95/358507195.db2.gz NQMJBXNSFQMQTN-UHFFFAOYSA-N 1 2 235.287 1.127 20 30 BDEDLO C=C(C)CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336329670 134143742 /nfs/dbraw/zinc/14/37/42/134143742.db2.gz WGRCEXGUMAABHQ-NSHDSACASA-N 1 2 248.330 1.415 20 30 BDEDLO CC#CC[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352888775 134156692 /nfs/dbraw/zinc/15/66/92/134156692.db2.gz QGGSMDXOCQBELE-MJVIPROJSA-N 1 2 213.346 1.241 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(CC)[nH]1)C1CC1 ZINC000355054473 134171520 /nfs/dbraw/zinc/17/15/20/134171520.db2.gz PURJXAHUBDYHLQ-UHFFFAOYSA-N 1 2 206.293 1.518 20 30 BDEDLO C=CC[N@H+](Cc1nnc(CC)[nH]1)C1CC1 ZINC000355054473 134171521 /nfs/dbraw/zinc/17/15/21/134171521.db2.gz PURJXAHUBDYHLQ-UHFFFAOYSA-N 1 2 206.293 1.518 20 30 BDEDLO C=CC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114491748 134183256 /nfs/dbraw/zinc/18/32/56/134183256.db2.gz ZVWDQCXHYDSRRL-UHFFFAOYSA-N 1 2 240.244 1.690 20 30 BDEDLO Cc1cc(CNc2cc(C)[nH+]cc2C#N)no1 ZINC000399483222 356954449 /nfs/dbraw/zinc/95/44/49/356954449.db2.gz FSKARMDNLPIWKT-UHFFFAOYSA-N 1 2 228.255 1.592 20 30 BDEDLO CC[N@H+](CCC#N)CCn1ccc([N+](=O)[O-])n1 ZINC000357947547 134186281 /nfs/dbraw/zinc/18/62/81/134186281.db2.gz QRMMEUURSWCEQE-UHFFFAOYSA-N 1 2 237.263 1.027 20 30 BDEDLO CC[N@@H+](CCC#N)CCn1ccc([N+](=O)[O-])n1 ZINC000357947547 134186282 /nfs/dbraw/zinc/18/62/82/134186282.db2.gz QRMMEUURSWCEQE-UHFFFAOYSA-N 1 2 237.263 1.027 20 30 BDEDLO C=CC[N@@H+](Cc1ncc(C)cn1)C1CC1 ZINC000357526933 134183439 /nfs/dbraw/zinc/18/34/39/134183439.db2.gz DJLZYRGFGJHKPH-UHFFFAOYSA-N 1 2 203.289 1.935 20 30 BDEDLO C=CC[N@H+](Cc1ncc(C)cn1)C1CC1 ZINC000357526933 134183440 /nfs/dbraw/zinc/18/34/40/134183440.db2.gz DJLZYRGFGJHKPH-UHFFFAOYSA-N 1 2 203.289 1.935 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000582337366 357077854 /nfs/dbraw/zinc/07/78/54/357077854.db2.gz OAQXOXBXBNXLCT-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000582337366 357077857 /nfs/dbraw/zinc/07/78/57/357077857.db2.gz OAQXOXBXBNXLCT-ZDUSSCGKSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@H](CC(=O)N(CC#N)C1CC1)n1cc[nH+]c1 ZINC000582423918 357144687 /nfs/dbraw/zinc/14/46/87/357144687.db2.gz PTCMCYFCZXELJV-SNVBAGLBSA-N 1 2 232.287 1.349 20 30 BDEDLO C=CCn1cccc1C(=O)NCc1c[nH+]cn1C ZINC000356755999 538815328 /nfs/dbraw/zinc/81/53/28/538815328.db2.gz UPSZFUFKABOFKA-UHFFFAOYSA-N 1 2 244.298 1.338 20 30 BDEDLO CC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000639897314 357266361 /nfs/dbraw/zinc/26/63/61/357266361.db2.gz NKDZJMYDTKIBLU-UHFFFAOYSA-N 1 2 228.295 1.700 20 30 BDEDLO CC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000639897314 357266364 /nfs/dbraw/zinc/26/63/64/357266364.db2.gz NKDZJMYDTKIBLU-UHFFFAOYSA-N 1 2 228.295 1.700 20 30 BDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCCC#N)C1 ZINC000360398609 134200633 /nfs/dbraw/zinc/20/06/33/134200633.db2.gz YHAVAEWSMYPXBF-NSHDSACASA-N 1 2 246.314 1.430 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CCC1)C(=O)OC ZINC000361110914 134203477 /nfs/dbraw/zinc/20/34/77/134203477.db2.gz RQRMUKTYHUGCCJ-PWSUYJOCSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CCOC[C@@H]([NH2+]CCC(C)(C)C)C(=O)OC ZINC000361106244 134203543 /nfs/dbraw/zinc/20/35/43/134203543.db2.gz FGIXGSKKBHEDHQ-LLVKDONJSA-N 1 2 243.347 1.756 20 30 BDEDLO Cc1c[nH+]ccc1CCN1CCO[C@@H](C#N)C1 ZINC000397648948 357618903 /nfs/dbraw/zinc/61/89/03/357618903.db2.gz XDWXHYSXYPGOND-ZDUSSCGKSA-N 1 2 231.299 1.157 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nnc(C)o1 ZINC000189425007 357640847 /nfs/dbraw/zinc/64/08/47/357640847.db2.gz OWDRTXOXGNPZHH-UHFFFAOYSA-N 1 2 211.265 1.012 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nnc(C)o1 ZINC000189425007 357640854 /nfs/dbraw/zinc/64/08/54/357640854.db2.gz OWDRTXOXGNPZHH-UHFFFAOYSA-N 1 2 211.265 1.012 20 30 BDEDLO CC#CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189685358 357658045 /nfs/dbraw/zinc/65/80/45/357658045.db2.gz XXEITGWAHJAPKT-UHFFFAOYSA-N 1 2 244.342 1.432 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362590037 134212080 /nfs/dbraw/zinc/21/20/80/134212080.db2.gz IPDXLEXPFQFDCW-CYBMUJFWSA-N 1 2 223.316 1.137 20 30 BDEDLO CC#CC[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362590037 134212081 /nfs/dbraw/zinc/21/20/81/134212081.db2.gz IPDXLEXPFQFDCW-CYBMUJFWSA-N 1 2 223.316 1.137 20 30 BDEDLO C[C@H](C#N)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000368253709 134217863 /nfs/dbraw/zinc/21/78/63/134217863.db2.gz MOXGCDQXCIWLMY-MNOVXSKESA-N 1 2 218.304 1.197 20 30 BDEDLO C[C@H](C#N)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000368253709 134217864 /nfs/dbraw/zinc/21/78/64/134217864.db2.gz MOXGCDQXCIWLMY-MNOVXSKESA-N 1 2 218.304 1.197 20 30 BDEDLO Cn1cc(C[N@@H+]2CCC[C@H](F)C2)cc1C#N ZINC000583269130 357777794 /nfs/dbraw/zinc/77/77/94/357777794.db2.gz XVDXDXZWTMDIIG-NSHDSACASA-N 1 2 221.279 1.831 20 30 BDEDLO Cn1cc(C[N@H+]2CCC[C@H](F)C2)cc1C#N ZINC000583269130 357777795 /nfs/dbraw/zinc/77/77/95/357777795.db2.gz XVDXDXZWTMDIIG-NSHDSACASA-N 1 2 221.279 1.831 20 30 BDEDLO COc1cc[nH+]cc1NCc1cc(C#N)n(C)c1 ZINC000191532880 357784224 /nfs/dbraw/zinc/78/42/24/357784224.db2.gz MPJMYXJLPDJTLM-UHFFFAOYSA-N 1 2 242.282 1.912 20 30 BDEDLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(C#N)c1 ZINC000192712874 357848886 /nfs/dbraw/zinc/84/88/86/357848886.db2.gz FGHZGEJWTWBDLD-CYBMUJFWSA-N 1 2 246.310 1.942 20 30 BDEDLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000192712874 357848888 /nfs/dbraw/zinc/84/88/88/357848888.db2.gz FGHZGEJWTWBDLD-CYBMUJFWSA-N 1 2 246.310 1.942 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372739321 134232655 /nfs/dbraw/zinc/23/26/55/134232655.db2.gz KJEVARKCGBFPKP-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO CC(C)CC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000360094166 134255050 /nfs/dbraw/zinc/25/50/50/134255050.db2.gz YJFPGNYVPGHTKC-CYBMUJFWSA-N 1 2 221.348 1.705 20 30 BDEDLO CC(C)CC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000360094166 134255051 /nfs/dbraw/zinc/25/50/51/134255051.db2.gz YJFPGNYVPGHTKC-CYBMUJFWSA-N 1 2 221.348 1.705 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000610797682 358178479 /nfs/dbraw/zinc/17/84/79/358178479.db2.gz FURPIFBIFGVYQI-DGCLKSJQSA-N 1 2 249.358 1.812 20 30 BDEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCCC#N ZINC000610827049 358208623 /nfs/dbraw/zinc/20/86/23/358208623.db2.gz XJYMTHSBYKRESK-LLVKDONJSA-N 1 2 242.319 1.189 20 30 BDEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCCC#N ZINC000610827049 358208626 /nfs/dbraw/zinc/20/86/26/358208626.db2.gz XJYMTHSBYKRESK-LLVKDONJSA-N 1 2 242.319 1.189 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1F ZINC000610917498 358233384 /nfs/dbraw/zinc/23/33/84/358233384.db2.gz YPLJKSMQAIDOGQ-SECBINFHSA-N 1 2 235.262 1.656 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000086573713 491126917 /nfs/dbraw/zinc/12/69/17/491126917.db2.gz AYHUUHKEKSWPKH-SECBINFHSA-N 1 2 237.328 1.629 20 30 BDEDLO CCCCNC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000042323926 358521725 /nfs/dbraw/zinc/52/17/25/358521725.db2.gz DZMUPLBKRGIEJU-NSHDSACASA-N 1 2 225.336 1.384 20 30 BDEDLO CCCCNC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000042323926 358521727 /nfs/dbraw/zinc/52/17/27/358521727.db2.gz DZMUPLBKRGIEJU-NSHDSACASA-N 1 2 225.336 1.384 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008814 358431060 /nfs/dbraw/zinc/43/10/60/358431060.db2.gz LMRYJESVBHTQMR-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008814 358431064 /nfs/dbraw/zinc/43/10/64/358431064.db2.gz LMRYJESVBHTQMR-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@](C)(CCC)C(=O)OC ZINC000128600360 358578374 /nfs/dbraw/zinc/57/83/74/358578374.db2.gz FLGYUDKFFKVVIJ-DGCLKSJQSA-N 1 2 243.347 1.635 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613665517 363615446 /nfs/dbraw/zinc/61/54/46/363615446.db2.gz PVCASKDNJADOPW-SECBINFHSA-N 1 2 219.288 1.207 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613665517 363615448 /nfs/dbraw/zinc/61/54/48/363615448.db2.gz PVCASKDNJADOPW-SECBINFHSA-N 1 2 219.288 1.207 20 30 BDEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1nncn1C ZINC000050419531 358730284 /nfs/dbraw/zinc/73/02/84/358730284.db2.gz VLYOHDMVXPHRHP-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO N#CCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135557321 358844313 /nfs/dbraw/zinc/84/43/13/358844313.db2.gz YVFKAYXOAHOGAG-VHSXEESVSA-N 1 2 212.318 1.106 20 30 BDEDLO N#CCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135557321 358844315 /nfs/dbraw/zinc/84/43/15/358844315.db2.gz YVFKAYXOAHOGAG-VHSXEESVSA-N 1 2 212.318 1.106 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC1CC1 ZINC000072691551 359088425 /nfs/dbraw/zinc/08/84/25/359088425.db2.gz NGQXVWUEKAKHQQ-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC1CC1 ZINC000072691551 359088429 /nfs/dbraw/zinc/08/84/29/359088429.db2.gz NGQXVWUEKAKHQQ-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C(=O)OC)co1)C1CC1 ZINC000274131968 359511713 /nfs/dbraw/zinc/51/17/13/359511713.db2.gz IMQGHTGRICGOCG-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO C#CC[N@H+](Cc1cc(C(=O)OC)co1)C1CC1 ZINC000274131968 359511718 /nfs/dbraw/zinc/51/17/18/359511718.db2.gz IMQGHTGRICGOCG-UHFFFAOYSA-N 1 2 233.267 1.664 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccno2)C1 ZINC000612164059 359714376 /nfs/dbraw/zinc/71/43/76/359714376.db2.gz XOBXJOVBXPUCLB-LLVKDONJSA-N 1 2 205.261 1.800 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccno2)C1 ZINC000612164059 359714379 /nfs/dbraw/zinc/71/43/79/359714379.db2.gz XOBXJOVBXPUCLB-LLVKDONJSA-N 1 2 205.261 1.800 20 30 BDEDLO Cc1noc(CCC[N@@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612163424 359716184 /nfs/dbraw/zinc/71/61/84/359716184.db2.gz QQJJKTNCDJDDDK-ZDUSSCGKSA-N 1 2 248.330 1.936 20 30 BDEDLO Cc1noc(CCC[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612163424 359716185 /nfs/dbraw/zinc/71/61/85/359716185.db2.gz QQJJKTNCDJDDDK-ZDUSSCGKSA-N 1 2 248.330 1.936 20 30 BDEDLO C=CC[N@@H+](CCOC)CC1(C#N)CCC1 ZINC000450841034 202284300 /nfs/dbraw/zinc/28/43/00/202284300.db2.gz ZMQCBLLNHYYNIF-UHFFFAOYSA-N 1 2 208.305 1.815 20 30 BDEDLO C=CC[N@H+](CCOC)CC1(C#N)CCC1 ZINC000450841034 202284303 /nfs/dbraw/zinc/28/43/03/202284303.db2.gz ZMQCBLLNHYYNIF-UHFFFAOYSA-N 1 2 208.305 1.815 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000450901100 202302830 /nfs/dbraw/zinc/30/28/30/202302830.db2.gz VRSXYXLIVDNJTE-NSHDSACASA-N 1 2 233.315 1.515 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000450901407 202304088 /nfs/dbraw/zinc/30/40/88/202304088.db2.gz WHBNHRLTYKUYOS-NSHDSACASA-N 1 2 235.331 1.761 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000612585026 359897976 /nfs/dbraw/zinc/89/79/76/359897976.db2.gz JKUBACSLFAJJAV-VIFPVBQESA-N 1 2 232.262 1.723 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(CCOC)CCC1)C(=O)OC ZINC000619703457 363692242 /nfs/dbraw/zinc/69/22/42/363692242.db2.gz LOSACLFJAVKXRQ-LLVKDONJSA-N 1 2 241.331 1.510 20 30 BDEDLO F[C@H]1CCN(CC#CC[N@@H+]2CC[C@H](F)C2)C1 ZINC000451203466 202379055 /nfs/dbraw/zinc/37/90/55/202379055.db2.gz ZBNZIXYNFZIQPV-RYUDHWBXSA-N 1 2 228.286 1.077 20 30 BDEDLO F[C@H]1CCN(CC#CC[N@H+]2CC[C@H](F)C2)C1 ZINC000451203466 202379059 /nfs/dbraw/zinc/37/90/59/202379059.db2.gz ZBNZIXYNFZIQPV-RYUDHWBXSA-N 1 2 228.286 1.077 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)cc1OC)C1COC1 ZINC000451289493 202397281 /nfs/dbraw/zinc/39/72/81/202397281.db2.gz VXQKNNLFJLLQGT-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC)C1COC1 ZINC000451289493 202397285 /nfs/dbraw/zinc/39/72/85/202397285.db2.gz VXQKNNLFJLLQGT-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000067406170 370667700 /nfs/dbraw/zinc/66/77/00/370667700.db2.gz AYUDJINTVHAASO-SECBINFHSA-N 1 2 217.272 1.177 20 30 BDEDLO C=C[C@H]([NH2+]CC1CCC(C#N)CC1)C(=O)OC ZINC000619704476 363720869 /nfs/dbraw/zinc/72/08/69/363720869.db2.gz MGHDRXUYGCKCIB-MCIGGMRASA-N 1 2 236.315 1.634 20 30 BDEDLO C=C[C@@H]([NH2+]CC1CCC(C#N)CC1)C(=O)OC ZINC000619704475 363720980 /nfs/dbraw/zinc/72/09/80/363720980.db2.gz MGHDRXUYGCKCIB-HTAVTVPLSA-N 1 2 236.315 1.634 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915494 360749743 /nfs/dbraw/zinc/74/97/43/360749743.db2.gz WYAGLOQVDZSQAF-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915494 360749749 /nfs/dbraw/zinc/74/97/49/360749749.db2.gz WYAGLOQVDZSQAF-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N[C@H](C#N)C(C)(C)C ZINC000578989770 366687457 /nfs/dbraw/zinc/68/74/57/366687457.db2.gz HURCBVGBPWHGAG-SNVBAGLBSA-N 1 2 234.303 1.017 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccccc1F ZINC000579459630 366812069 /nfs/dbraw/zinc/81/20/69/366812069.db2.gz DHPPRDKBAQFWOX-ZDUSSCGKSA-N 1 2 249.289 1.399 20 30 BDEDLO CC#CC[N@@H+](CCC)[C@@H](C)C(=O)OCC ZINC000429713075 201130034 /nfs/dbraw/zinc/13/00/34/201130034.db2.gz UWEDRGSZAMFEBW-NSHDSACASA-N 1 2 211.305 1.673 20 30 BDEDLO CC#CC[N@H+](CCC)[C@@H](C)C(=O)OCC ZINC000429713075 201130038 /nfs/dbraw/zinc/13/00/38/201130038.db2.gz UWEDRGSZAMFEBW-NSHDSACASA-N 1 2 211.305 1.673 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCN(C)CC(C)(C)C#N ZINC000433310086 201179126 /nfs/dbraw/zinc/17/91/26/201179126.db2.gz AEKVEDMTDBNGBT-LBPRGKRZSA-N 1 2 239.363 1.189 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCN(C)CC(C)(C)C#N ZINC000433310086 201179129 /nfs/dbraw/zinc/17/91/29/201179129.db2.gz AEKVEDMTDBNGBT-LBPRGKRZSA-N 1 2 239.363 1.189 20 30 BDEDLO CCC(C)(C)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433289831 201176720 /nfs/dbraw/zinc/17/67/20/201176720.db2.gz RFVKXRMPSPYDTF-UHFFFAOYSA-N 1 2 239.363 1.773 20 30 BDEDLO CCC(C)(C)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433289831 201176722 /nfs/dbraw/zinc/17/67/22/201176722.db2.gz RFVKXRMPSPYDTF-UHFFFAOYSA-N 1 2 239.363 1.773 20 30 BDEDLO C=CCOCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434292948 201212792 /nfs/dbraw/zinc/21/27/92/201212792.db2.gz NKVQJDTXPAMOCY-UHFFFAOYSA-N 1 2 249.314 1.318 20 30 BDEDLO C=CCOCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434292948 201212797 /nfs/dbraw/zinc/21/27/97/201212797.db2.gz NKVQJDTXPAMOCY-UHFFFAOYSA-N 1 2 249.314 1.318 20 30 BDEDLO N#Cc1ccc2[nH+]cc(CN3CCOCC3)n2c1 ZINC000154529850 201281916 /nfs/dbraw/zinc/28/19/16/201281916.db2.gz GZRDCCDSCMAGQU-UHFFFAOYSA-N 1 2 242.282 1.038 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000139675943 364470331 /nfs/dbraw/zinc/47/03/31/364470331.db2.gz BECTYMLYOYYKEK-UHFFFAOYSA-N 1 2 234.303 1.398 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(C)(C)C ZINC000168513580 364945552 /nfs/dbraw/zinc/94/55/52/364945552.db2.gz LYCCHWOKCRGENL-VIFPVBQESA-N 1 2 211.309 1.183 20 30 BDEDLO C=C(C)COCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000573979511 364960409 /nfs/dbraw/zinc/96/04/09/364960409.db2.gz MJSQHTLOJBXFPY-UHFFFAOYSA-N 1 2 240.347 1.037 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000574172058 365003884 /nfs/dbraw/zinc/00/38/84/365003884.db2.gz QKWLOTPWOQAWKW-OUAUKWLOSA-N 1 2 246.314 1.397 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000574172058 365003887 /nfs/dbraw/zinc/00/38/87/365003887.db2.gz QKWLOTPWOQAWKW-OUAUKWLOSA-N 1 2 246.314 1.397 20 30 BDEDLO Cc1cc(C[NH2+]CCC#N)nc(N2CCCC2)n1 ZINC000574512749 365076558 /nfs/dbraw/zinc/07/65/58/365076558.db2.gz VUBWFQABAZVUEA-UHFFFAOYSA-N 1 2 245.330 1.389 20 30 BDEDLO CC[C@@H](C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000575760279 365357069 /nfs/dbraw/zinc/35/70/69/365357069.db2.gz KADNXJHWRNOKHS-NSHDSACASA-N 1 2 242.282 1.675 20 30 BDEDLO CC(C)C[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579718649 366991037 /nfs/dbraw/zinc/99/10/37/366991037.db2.gz WGISTLZQIGBNBR-YPMHNXCESA-N 1 2 239.363 1.629 20 30 BDEDLO CCCC[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565050634 325852008 /nfs/dbraw/zinc/85/20/08/325852008.db2.gz HLZRYKJMFXKOON-AAEUAGOBSA-N 1 2 239.363 1.773 20 30 BDEDLO COCc1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000380312612 367175747 /nfs/dbraw/zinc/17/57/47/367175747.db2.gz HRHQNDYLTQWSQU-SECBINFHSA-N 1 2 208.261 1.675 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CC(C)(C)O1 ZINC000068766529 370845303 /nfs/dbraw/zinc/84/53/03/370845303.db2.gz WJUIHZRAJOUKNY-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC(C)(C)O1 ZINC000068766529 370845305 /nfs/dbraw/zinc/84/53/05/370845305.db2.gz WJUIHZRAJOUKNY-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO N#CCC[NH2+]Cc1ccc(CO)c(F)c1 ZINC000581305765 367335650 /nfs/dbraw/zinc/33/56/50/367335650.db2.gz XXFAQLWIYYTHMH-UHFFFAOYSA-N 1 2 208.236 1.321 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](CCC)C(=O)OCC ZINC000382527840 367533872 /nfs/dbraw/zinc/53/38/72/367533872.db2.gz ICPBWCNDJXEBEI-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO C#CC[N@H+](CC)[C@H](CCC)C(=O)OCC ZINC000382527840 367533878 /nfs/dbraw/zinc/53/38/78/367533878.db2.gz ICPBWCNDJXEBEI-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCC#N)CC1 ZINC000566425292 326044336 /nfs/dbraw/zinc/04/43/36/326044336.db2.gz CDQRRDUEMFITOE-NSHDSACASA-N 1 2 235.331 1.137 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000619621185 368927312 /nfs/dbraw/zinc/92/73/12/368927312.db2.gz CJYWRCGVLISJJB-OCCSQVGLSA-N 1 2 247.342 1.399 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000619621185 368927315 /nfs/dbraw/zinc/92/73/15/368927315.db2.gz CJYWRCGVLISJJB-OCCSQVGLSA-N 1 2 247.342 1.399 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000617895763 369048434 /nfs/dbraw/zinc/04/84/34/369048434.db2.gz HHWXNAXIBDYFIE-HUBLWGQQSA-N 1 2 227.373 1.489 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000617895763 369048437 /nfs/dbraw/zinc/04/84/37/369048437.db2.gz HHWXNAXIBDYFIE-HUBLWGQQSA-N 1 2 227.373 1.489 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000617895765 369048582 /nfs/dbraw/zinc/04/85/82/369048582.db2.gz HHWXNAXIBDYFIE-TYNCELHUSA-N 1 2 227.373 1.489 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000617895765 369048585 /nfs/dbraw/zinc/04/85/85/369048585.db2.gz HHWXNAXIBDYFIE-TYNCELHUSA-N 1 2 227.373 1.489 20 30 BDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2)CC1=O ZINC000273368365 369210883 /nfs/dbraw/zinc/21/08/83/369210883.db2.gz BOLROYOZYGYAFJ-UHFFFAOYSA-N 1 2 243.310 1.222 20 30 BDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2)CC1=O ZINC000273368365 369210885 /nfs/dbraw/zinc/21/08/85/369210885.db2.gz BOLROYOZYGYAFJ-UHFFFAOYSA-N 1 2 243.310 1.222 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000618903966 369236783 /nfs/dbraw/zinc/23/67/83/369236783.db2.gz YLHCHPZBFCAWJX-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000618903966 369236788 /nfs/dbraw/zinc/23/67/88/369236788.db2.gz YLHCHPZBFCAWJX-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO C=CCCC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459586499 203306098 /nfs/dbraw/zinc/30/60/98/203306098.db2.gz JQONBHIKELYOEV-GFCCVEGCSA-N 1 2 229.320 1.510 20 30 BDEDLO COC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405123704 369446357 /nfs/dbraw/zinc/44/63/57/369446357.db2.gz XYMMQEMOCCDLSS-UHFFFAOYSA-N 1 2 230.267 1.437 20 30 BDEDLO COC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405123704 369446362 /nfs/dbraw/zinc/44/63/62/369446362.db2.gz XYMMQEMOCCDLSS-UHFFFAOYSA-N 1 2 230.267 1.437 20 30 BDEDLO C[C@H](CCCc1cccnc1)[NH2+]CC#N ZINC000459638028 203326692 /nfs/dbraw/zinc/32/66/92/203326692.db2.gz IXCQZOUMPMTYLW-LLVKDONJSA-N 1 2 203.289 1.906 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](CCCCO)C2 ZINC000405117954 369446873 /nfs/dbraw/zinc/44/68/73/369446873.db2.gz IICMADXVPQMAII-UHFFFAOYSA-N 1 2 216.284 1.646 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](CCCCO)C2 ZINC000405117954 369446878 /nfs/dbraw/zinc/44/68/78/369446878.db2.gz IICMADXVPQMAII-UHFFFAOYSA-N 1 2 216.284 1.646 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000260307963 370988357 /nfs/dbraw/zinc/98/83/57/370988357.db2.gz ZLRZVOGQCLCHMX-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000260307963 370988360 /nfs/dbraw/zinc/98/83/60/370988360.db2.gz ZLRZVOGQCLCHMX-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO Cc1cc(C#N)cc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000601129266 369593407 /nfs/dbraw/zinc/59/34/07/369593407.db2.gz OXMDHSIAQCUWDX-UHFFFAOYSA-N 1 2 239.282 1.520 20 30 BDEDLO CC(C)(CNc1ccncc1C#N)n1cc[nH+]c1 ZINC000601197798 369604816 /nfs/dbraw/zinc/60/48/16/369604816.db2.gz GNLGKIOQMQHEHP-UHFFFAOYSA-N 1 2 241.298 1.419 20 30 BDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccn(C)n1 ZINC000602688311 369840042 /nfs/dbraw/zinc/84/00/42/369840042.db2.gz UHZYAUNMTBSNCD-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO Cc1nnsc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602674651 369840120 /nfs/dbraw/zinc/84/01/20/369840120.db2.gz XRFIRXFLFTXSGP-UHFFFAOYSA-N 1 2 245.311 1.403 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000602618789 369828824 /nfs/dbraw/zinc/82/88/24/369828824.db2.gz FPBWEXAOLHDFQE-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000602618789 369828829 /nfs/dbraw/zinc/82/88/29/369828829.db2.gz FPBWEXAOLHDFQE-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602634666 369831715 /nfs/dbraw/zinc/83/17/15/369831715.db2.gz NMPHJZCFCNRRCB-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602634666 369831721 /nfs/dbraw/zinc/83/17/21/369831721.db2.gz NMPHJZCFCNRRCB-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602436086 369788335 /nfs/dbraw/zinc/78/83/35/369788335.db2.gz WPTJXXNHTCFIEX-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602436086 369788337 /nfs/dbraw/zinc/78/83/37/369788337.db2.gz WPTJXXNHTCFIEX-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CO[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000602897781 369861090 /nfs/dbraw/zinc/86/10/90/369861090.db2.gz JRWMMLQTJHOPTB-CQSZACIVSA-N 1 2 246.310 1.671 20 30 BDEDLO CO[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000602897781 369861092 /nfs/dbraw/zinc/86/10/92/369861092.db2.gz JRWMMLQTJHOPTB-CQSZACIVSA-N 1 2 246.310 1.671 20 30 BDEDLO CCc1nc(C#N)cc(NCc2[nH+]ccn2C)n1 ZINC000308170236 370106164 /nfs/dbraw/zinc/10/61/64/370106164.db2.gz PSZORKMGLOSRJW-UHFFFAOYSA-N 1 2 242.286 1.256 20 30 BDEDLO CC#CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568206377 326326142 /nfs/dbraw/zinc/32/61/42/326326142.db2.gz LCKJVWCCDXNOJM-JTQLQIEISA-N 1 2 219.288 1.118 20 30 BDEDLO CC#CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568206377 326326145 /nfs/dbraw/zinc/32/61/45/326326145.db2.gz LCKJVWCCDXNOJM-JTQLQIEISA-N 1 2 219.288 1.118 20 30 BDEDLO N#Cc1nccc(NCCCn2cc[nH+]c2)n1 ZINC000310537578 370351641 /nfs/dbraw/zinc/35/16/41/370351641.db2.gz PRJWUJCSVVFYEJ-UHFFFAOYSA-N 1 2 228.259 1.047 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000568518437 326362387 /nfs/dbraw/zinc/36/23/87/326362387.db2.gz CSSRCVJRXLMMQM-ISTVAULSSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000568518437 326362388 /nfs/dbraw/zinc/36/23/88/326362388.db2.gz CSSRCVJRXLMMQM-ISTVAULSSA-N 1 2 214.334 1.131 20 30 BDEDLO COCC[N@H+](CCC#N)CC1=CCCOC1 ZINC000093100193 371137175 /nfs/dbraw/zinc/13/71/75/371137175.db2.gz AELWDHUBPGHIPR-UHFFFAOYSA-N 1 2 224.304 1.195 20 30 BDEDLO COCC[N@@H+](CCC#N)CC1=CCCOC1 ZINC000093100193 371137182 /nfs/dbraw/zinc/13/71/82/371137182.db2.gz AELWDHUBPGHIPR-UHFFFAOYSA-N 1 2 224.304 1.195 20 30 BDEDLO CC1(C#N)C[NH+](CCCOCC(F)(F)F)C1 ZINC000572704358 326405541 /nfs/dbraw/zinc/40/55/41/326405541.db2.gz YCHFADQYKFBDQM-UHFFFAOYSA-N 1 2 236.237 1.801 20 30 BDEDLO CC#CC[C@@H](CO)Nc1[nH+]cccc1OC ZINC000624338071 371487979 /nfs/dbraw/zinc/48/79/79/371487979.db2.gz SSHXLFXDCOXCFW-JTQLQIEISA-N 1 2 220.272 1.276 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000521880885 259556371 /nfs/dbraw/zinc/55/63/71/259556371.db2.gz JEKJKJGYXYWABU-PWSUYJOCSA-N 1 2 234.303 1.643 20 30 BDEDLO C=CCN(CCOC)c1[nH+]cnc2c1cnn2C ZINC000189638345 259558054 /nfs/dbraw/zinc/55/80/54/259558054.db2.gz XUVNIOFEPCKZTF-UHFFFAOYSA-N 1 2 247.302 1.002 20 30 BDEDLO C=CCCn1ncc2c1nc[nH+]c2NC ZINC000194415866 206090500 /nfs/dbraw/zinc/09/05/00/206090500.db2.gz SXDQLCXCGJIHMZ-UHFFFAOYSA-N 1 2 203.249 1.444 20 30 BDEDLO CCC[N@H+](CC(=O)NC)Cc1ccc(C#N)o1 ZINC000092381637 169095157 /nfs/dbraw/zinc/09/51/57/169095157.db2.gz ZDKWJGVHLGWKTK-UHFFFAOYSA-N 1 2 235.287 1.109 20 30 BDEDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(C#N)o1 ZINC000092381637 169095159 /nfs/dbraw/zinc/09/51/59/169095159.db2.gz ZDKWJGVHLGWKTK-UHFFFAOYSA-N 1 2 235.287 1.109 20 30 BDEDLO C#CCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000373005110 533010391 /nfs/dbraw/zinc/01/03/91/533010391.db2.gz PEBYZOFNSGZGNU-LBPRGKRZSA-N 1 2 245.326 1.540 20 30 BDEDLO Cc1cc(N[C@H]2CCC[C@H]2F)c(C#N)c[nH+]1 ZINC000335094791 384019136 /nfs/dbraw/zinc/01/91/36/384019136.db2.gz KWUMRZHGEDNECW-MNOVXSKESA-N 1 2 219.263 1.986 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000556344054 384039364 /nfs/dbraw/zinc/03/93/64/384039364.db2.gz ZCXZENRJRGUPPC-SVRRBLITSA-N 1 2 245.735 1.625 20 30 BDEDLO C#CCCCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298878562 384040263 /nfs/dbraw/zinc/04/02/63/384040263.db2.gz KRZYUECDSDSTBE-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO C#CCCCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298878562 384040269 /nfs/dbraw/zinc/04/02/69/384040269.db2.gz KRZYUECDSDSTBE-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO CN(CC[N@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000091768911 384143458 /nfs/dbraw/zinc/14/34/58/384143458.db2.gz QLTSZMQKBIIBCW-UHFFFAOYSA-N 1 2 241.335 1.699 20 30 BDEDLO CN(CC[N@@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000091768911 384143467 /nfs/dbraw/zinc/14/34/67/384143467.db2.gz QLTSZMQKBIIBCW-UHFFFAOYSA-N 1 2 241.335 1.699 20 30 BDEDLO C[C@@H](NC(=O)c1cc(C#N)ccn1)c1[nH]cc[nH+]1 ZINC000560698274 384167537 /nfs/dbraw/zinc/16/75/37/384167537.db2.gz IBKLLQIDHWGOJO-MRVPVSSYSA-N 1 2 241.254 1.167 20 30 BDEDLO CCc1ncc(C[NH2+]Cc2cccc(C#N)n2)o1 ZINC000602684695 384168218 /nfs/dbraw/zinc/16/82/18/384168218.db2.gz QYQCZYSVTSQJAU-UHFFFAOYSA-N 1 2 242.282 1.793 20 30 BDEDLO Cc1nsc(N(C)Cc2[nH+]ccn2C)c1C#N ZINC000285987697 384231998 /nfs/dbraw/zinc/23/19/98/384231998.db2.gz CKVIRUIMIXSLMB-UHFFFAOYSA-N 1 2 247.327 1.693 20 30 BDEDLO CC(C)[C@@H](Nc1cnc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000285815155 384213615 /nfs/dbraw/zinc/21/36/15/384213615.db2.gz YZZZCOFUKFVDJB-LLVKDONJSA-N 1 2 242.286 1.881 20 30 BDEDLO CCn1cc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000050539869 384242497 /nfs/dbraw/zinc/24/24/97/384242497.db2.gz CMJZBDCABGIITM-SNVBAGLBSA-N 1 2 206.293 1.494 20 30 BDEDLO CCn1cc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000050539869 384242504 /nfs/dbraw/zinc/24/25/04/384242504.db2.gz CMJZBDCABGIITM-SNVBAGLBSA-N 1 2 206.293 1.494 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC000054377976 384320573 /nfs/dbraw/zinc/32/05/73/384320573.db2.gz AVZAMQKPAXSTBT-VIFPVBQESA-N 1 2 228.259 1.045 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)o1 ZINC000336796367 384284321 /nfs/dbraw/zinc/28/43/21/384284321.db2.gz RWUXWNKVPGYPPK-VIFPVBQESA-N 1 2 244.254 1.166 20 30 BDEDLO CCc1nc(C(C)(C)[NH2+]CCCC#N)no1 ZINC000330364723 384373223 /nfs/dbraw/zinc/37/32/23/384373223.db2.gz VHVJREMJFSRDPE-UHFFFAOYSA-N 1 2 222.292 1.760 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(-c2ccccc2)nn1 ZINC000490759913 384379256 /nfs/dbraw/zinc/37/92/56/384379256.db2.gz HVTMQXHJHBCASM-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(-c2ccccc2)nn1 ZINC000490759913 384379262 /nfs/dbraw/zinc/37/92/62/384379262.db2.gz HVTMQXHJHBCASM-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO Cc1cc(C)c(C#N)c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000582821738 384460886 /nfs/dbraw/zinc/46/08/86/384460886.db2.gz IAYLCMCFLLMIQW-UHFFFAOYSA-N 1 2 241.298 1.930 20 30 BDEDLO C#CC[N@@H+](CC(=C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000490925776 384502411 /nfs/dbraw/zinc/50/24/11/384502411.db2.gz YALJMSHPJFXHLA-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CC(=C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000490925776 384502415 /nfs/dbraw/zinc/50/24/15/384502415.db2.gz YALJMSHPJFXHLA-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccccc1C#N ZINC000176447621 384580625 /nfs/dbraw/zinc/58/06/25/384580625.db2.gz RVYIYXBXFWZRQH-UHFFFAOYSA-N 1 2 245.326 1.644 20 30 BDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccccc1C#N ZINC000176447621 384580630 /nfs/dbraw/zinc/58/06/30/384580630.db2.gz RVYIYXBXFWZRQH-UHFFFAOYSA-N 1 2 245.326 1.644 20 30 BDEDLO N#CC[N@@H+](C[C@H](O)Cn1cccn1)C1CCCC1 ZINC000172572346 384606123 /nfs/dbraw/zinc/60/61/23/384606123.db2.gz MKAZFUFNRHJRSH-ZDUSSCGKSA-N 1 2 248.330 1.012 20 30 BDEDLO N#CC[N@H+](C[C@H](O)Cn1cccn1)C1CCCC1 ZINC000172572346 384606128 /nfs/dbraw/zinc/60/61/28/384606128.db2.gz MKAZFUFNRHJRSH-ZDUSSCGKSA-N 1 2 248.330 1.012 20 30 BDEDLO N#CCC[N@@H+](CCCCCO)Cc1ccccn1 ZINC000081213479 384609791 /nfs/dbraw/zinc/60/97/91/384609791.db2.gz DXLRFVMVJSHOPT-UHFFFAOYSA-N 1 2 247.342 1.960 20 30 BDEDLO N#CCC[N@H+](CCCCCO)Cc1ccccn1 ZINC000081213479 384609796 /nfs/dbraw/zinc/60/97/96/384609796.db2.gz DXLRFVMVJSHOPT-UHFFFAOYSA-N 1 2 247.342 1.960 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000491383118 384627252 /nfs/dbraw/zinc/62/72/52/384627252.db2.gz KSROXBMJGDPNAR-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000491383118 384627257 /nfs/dbraw/zinc/62/72/57/384627257.db2.gz KSROXBMJGDPNAR-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO Cc1[nH+]c2n(c1C)CCN([C@@H](C)C#N)C2 ZINC000363672733 384676535 /nfs/dbraw/zinc/67/65/35/384676535.db2.gz LUJQBGBUISGQML-QMMMGPOBSA-N 1 2 204.277 1.228 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC000044387089 384656965 /nfs/dbraw/zinc/65/69/65/384656965.db2.gz YFCWASIVOZENMQ-JTQLQIEISA-N 1 2 227.271 1.650 20 30 BDEDLO Cc1cc(N[C@@H]2CCSC2)c(C#N)c[nH+]1 ZINC000335510922 384776275 /nfs/dbraw/zinc/77/62/75/384776275.db2.gz NDKZEKOIEMQUIF-SNVBAGLBSA-N 1 2 219.313 1.601 20 30 BDEDLO C#CCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000363722913 384742837 /nfs/dbraw/zinc/74/28/37/384742837.db2.gz OINBRNGEAAQJPF-UHFFFAOYSA-N 1 2 226.283 1.515 20 30 BDEDLO C#C[C@H]1COCCN1Cc1c[nH+]cn1C(C)C ZINC000491408967 384746182 /nfs/dbraw/zinc/74/61/82/384746182.db2.gz XZIDDOLROAANGQ-LBPRGKRZSA-N 1 2 233.315 1.298 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000491428738 384826614 /nfs/dbraw/zinc/82/66/14/384826614.db2.gz QGPFEIOHUFMFDZ-NSHDSACASA-N 1 2 248.330 1.064 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000250640731 384909362 /nfs/dbraw/zinc/90/93/62/384909362.db2.gz TYDJSURCMUNTKF-GHMZBOCLSA-N 1 2 225.336 1.383 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000250640731 384909370 /nfs/dbraw/zinc/90/93/70/384909370.db2.gz TYDJSURCMUNTKF-GHMZBOCLSA-N 1 2 225.336 1.383 20 30 BDEDLO CC[N@H+](CCC#N)Cc1c(C)n[nH]c1C ZINC000127681175 384934320 /nfs/dbraw/zinc/93/43/20/384934320.db2.gz JZPHAOLGAGELNJ-UHFFFAOYSA-N 1 2 206.293 1.762 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1c(C)n[nH]c1C ZINC000127681175 384934324 /nfs/dbraw/zinc/93/43/24/384934324.db2.gz JZPHAOLGAGELNJ-UHFFFAOYSA-N 1 2 206.293 1.762 20 30 BDEDLO CCOCCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000127779980 384944426 /nfs/dbraw/zinc/94/44/26/384944426.db2.gz YKVHATOGOLRKNP-UHFFFAOYSA-N 1 2 238.287 1.369 20 30 BDEDLO CN(CC[N@H+](C)CCC#N)c1ccccc1 ZINC000107683980 384993877 /nfs/dbraw/zinc/99/38/77/384993877.db2.gz DGGMOVYGNRKSMB-UHFFFAOYSA-N 1 2 217.316 1.968 20 30 BDEDLO CN(CC[N@@H+](C)CCC#N)c1ccccc1 ZINC000107683980 384993882 /nfs/dbraw/zinc/99/38/82/384993882.db2.gz DGGMOVYGNRKSMB-UHFFFAOYSA-N 1 2 217.316 1.968 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)CCCC#N ZINC000360307868 385073493 /nfs/dbraw/zinc/07/34/93/385073493.db2.gz CAODOIUNIWJPKP-UHFFFAOYSA-N 1 2 206.249 1.028 20 30 BDEDLO C=CCO[NH+]=C(N)Cc1csc(C)n1 ZINC000165329714 385107996 /nfs/dbraw/zinc/10/79/96/385107996.db2.gz JTFBIYFTVHWONR-UHFFFAOYSA-N 1 2 211.290 1.469 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC000336398272 385249607 /nfs/dbraw/zinc/24/96/07/385249607.db2.gz XIVKWQPZHMCTRV-LLVKDONJSA-N 1 2 248.330 1.670 20 30 BDEDLO COC[C@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178307561 385352525 /nfs/dbraw/zinc/35/25/25/385352525.db2.gz OAKFLVFKFBZMLP-VIFPVBQESA-N 1 2 238.287 1.367 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493446016 385574457 /nfs/dbraw/zinc/57/44/57/385574457.db2.gz BWDZEIJJCMQIOZ-TYRPZCRBSA-N 1 2 218.260 1.231 20 30 BDEDLO CC[C@H](CC#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493446017 385575133 /nfs/dbraw/zinc/57/51/33/385575133.db2.gz BWDZEIJJCMQIOZ-ZBJFTSOASA-N 1 2 218.260 1.231 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000181302286 385569999 /nfs/dbraw/zinc/56/99/99/385569999.db2.gz MQOUGFXCTSWAIP-UHFFFAOYSA-N 1 2 220.320 1.929 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000181302286 385570002 /nfs/dbraw/zinc/57/00/02/385570002.db2.gz MQOUGFXCTSWAIP-UHFFFAOYSA-N 1 2 220.320 1.929 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cccnc1C#N ZINC000290811896 385616871 /nfs/dbraw/zinc/61/68/71/385616871.db2.gz RIGVKGVFHGOLRS-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)[C@H](C)[C@H](C)O1 ZINC000446071252 385629099 /nfs/dbraw/zinc/62/90/99/385629099.db2.gz IYNKJQJHPCMNNW-MXWKQRLJSA-N 1 2 208.305 1.788 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@H](C)[C@H](C)O1 ZINC000446071252 385629103 /nfs/dbraw/zinc/62/91/03/385629103.db2.gz IYNKJQJHPCMNNW-MXWKQRLJSA-N 1 2 208.305 1.788 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@H](C)N1CC#N ZINC000602852584 385826380 /nfs/dbraw/zinc/82/63/80/385826380.db2.gz CWIKJJIFSSUKQA-PHIMTYICSA-N 1 2 234.303 1.093 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@H](C)N1CC#N ZINC000602852584 385826385 /nfs/dbraw/zinc/82/63/85/385826385.db2.gz CWIKJJIFSSUKQA-PHIMTYICSA-N 1 2 234.303 1.093 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000336705769 385789455 /nfs/dbraw/zinc/78/94/55/385789455.db2.gz PNNQXKULCOBXGB-NSHDSACASA-N 1 2 214.268 1.616 20 30 BDEDLO Cn1cc(C[N@@H+]2CCn3cncc3C2)cc1C#N ZINC000291608857 385899255 /nfs/dbraw/zinc/89/92/55/385899255.db2.gz QVRVJXVTEWZBLV-UHFFFAOYSA-N 1 2 241.298 1.109 20 30 BDEDLO Cn1cc(C[N@H+]2CCn3cncc3C2)cc1C#N ZINC000291608857 385899261 /nfs/dbraw/zinc/89/92/61/385899261.db2.gz QVRVJXVTEWZBLV-UHFFFAOYSA-N 1 2 241.298 1.109 20 30 BDEDLO CC(C)=CCSC[C@@H](O)C[N@H+](C)CCC#N ZINC000414128508 385976854 /nfs/dbraw/zinc/97/68/54/385976854.db2.gz SJMZEUFTWHOTAH-LBPRGKRZSA-N 1 2 242.388 1.892 20 30 BDEDLO CC(C)=CCSC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414128508 385976856 /nfs/dbraw/zinc/97/68/56/385976856.db2.gz SJMZEUFTWHOTAH-LBPRGKRZSA-N 1 2 242.388 1.892 20 30 BDEDLO C[C@@H]1CC[N@@H+]2[C@H](C1)C(=O)N[C@]21CCC[C@H](C#N)C1 ZINC000414200865 386036886 /nfs/dbraw/zinc/03/68/86/386036886.db2.gz DODBGZXCLQDMPT-GFQSEFKGSA-N 1 2 247.342 1.627 20 30 BDEDLO C[C@@H]1CC[N@H+]2[C@H](C1)C(=O)N[C@]21CCC[C@H](C#N)C1 ZINC000414200865 386036889 /nfs/dbraw/zinc/03/68/89/386036889.db2.gz DODBGZXCLQDMPT-GFQSEFKGSA-N 1 2 247.342 1.627 20 30 BDEDLO COc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1C#N ZINC000234987862 386125056 /nfs/dbraw/zinc/12/50/56/386125056.db2.gz GFWLZHJKZWUKJN-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C[N@H+]2CCOC[C@H]2C)ccc1C#N ZINC000234987862 386125062 /nfs/dbraw/zinc/12/50/62/386125062.db2.gz GFWLZHJKZWUKJN-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO C[C@@]1(F)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000347372713 386369938 /nfs/dbraw/zinc/36/99/38/386369938.db2.gz KFPPSRLSAHWGSC-GHMZBOCLSA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@@]1(F)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000347372713 386369943 /nfs/dbraw/zinc/36/99/43/386369943.db2.gz KFPPSRLSAHWGSC-GHMZBOCLSA-N 1 2 209.268 1.864 20 30 BDEDLO Cc1cc(NC[C@@](C)(O)C(C)C)c(C#N)c[nH+]1 ZINC000398998141 386411022 /nfs/dbraw/zinc/41/10/22/386411022.db2.gz QZQSLKDHJPZMQT-CYBMUJFWSA-N 1 2 233.315 1.503 20 30 BDEDLO Cc1cc(NCCCCCO)c(C#N)c[nH+]1 ZINC000399216352 386492518 /nfs/dbraw/zinc/49/25/18/386492518.db2.gz ZWPWJFPYLWZNEA-UHFFFAOYSA-N 1 2 219.288 1.258 20 30 BDEDLO Cc1cc(NCC[C@@H](C)CCO)c(C#N)c[nH+]1 ZINC000399002886 386504811 /nfs/dbraw/zinc/50/48/11/386504811.db2.gz UILUEOIATDHIGM-SNVBAGLBSA-N 1 2 233.315 1.504 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000645404601 386460989 /nfs/dbraw/zinc/46/09/89/386460989.db2.gz JLSDPNUEFNPCMU-LLVKDONJSA-N 1 2 241.294 1.238 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1cc(C#N)ccn1)CC2 ZINC000367425625 386570643 /nfs/dbraw/zinc/57/06/43/386570643.db2.gz GQZTUPPWONVEFK-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)N(C)CC ZINC000292159344 386629031 /nfs/dbraw/zinc/62/90/31/386629031.db2.gz KVCRXTKLZKGWRY-UHFFFAOYSA-N 1 2 223.320 1.256 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)N(C)CC ZINC000292159344 386629035 /nfs/dbraw/zinc/62/90/35/386629035.db2.gz KVCRXTKLZKGWRY-UHFFFAOYSA-N 1 2 223.320 1.256 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)c[nH+]1 ZINC000328879386 386640825 /nfs/dbraw/zinc/64/08/25/386640825.db2.gz LISLPZBBQFISFB-MWLCHTKSSA-N 1 2 235.287 1.590 20 30 BDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC1)CCC2 ZINC000328643923 386603676 /nfs/dbraw/zinc/60/36/76/386603676.db2.gz FMXMWZBUJAAAPA-LLVKDONJSA-N 1 2 248.330 1.689 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000450765071 386688252 /nfs/dbraw/zinc/68/82/52/386688252.db2.gz XSJLLABNAVSRJU-MNOVXSKESA-N 1 2 231.299 1.531 20 30 BDEDLO Cc1noc([C@@H](C)NC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000330454660 386716119 /nfs/dbraw/zinc/71/61/19/386716119.db2.gz MLEVTTHVBUMPMO-RXMQYKEDSA-N 1 2 235.247 1.475 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)cnn1C ZINC000188486451 386751061 /nfs/dbraw/zinc/75/10/61/386751061.db2.gz ZQJCYRHUFXJQGH-QMMMGPOBSA-N 1 2 226.711 1.855 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)C(C)(C)C ZINC000279976449 386762308 /nfs/dbraw/zinc/76/23/08/386762308.db2.gz QMFIVYSSXLFMPS-NSHDSACASA-N 1 2 248.330 1.407 20 30 BDEDLO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC(=O)N1 ZINC000334638305 386778475 /nfs/dbraw/zinc/77/84/75/386778475.db2.gz VNQFIKHCULCOOS-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC(=O)N1 ZINC000334638305 386778484 /nfs/dbraw/zinc/77/84/84/386778484.db2.gz VNQFIKHCULCOOS-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO N#CC1CCN(C([O-])=[NH+]CCn2cc[nH+]c2)CC1 ZINC000330650141 386811194 /nfs/dbraw/zinc/81/11/94/386811194.db2.gz XEXJSXAVSAWPIY-UHFFFAOYSA-N 1 2 247.302 1.033 20 30 BDEDLO N#CC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000330650141 386811201 /nfs/dbraw/zinc/81/12/01/386811201.db2.gz XEXJSXAVSAWPIY-UHFFFAOYSA-N 1 2 247.302 1.033 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc[nH]c1 ZINC000330688555 386830174 /nfs/dbraw/zinc/83/01/74/386830174.db2.gz UZJGBCANUDEQER-JTQLQIEISA-N 1 2 237.303 1.040 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc[nH]c1 ZINC000330688555 386830177 /nfs/dbraw/zinc/83/01/77/386830177.db2.gz UZJGBCANUDEQER-JTQLQIEISA-N 1 2 237.303 1.040 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)OC)n1 ZINC000518865777 386839955 /nfs/dbraw/zinc/83/99/55/386839955.db2.gz IIMIMYYXEPPBKA-JTQLQIEISA-N 1 2 247.298 1.650 20 30 BDEDLO COC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000051814869 386870648 /nfs/dbraw/zinc/87/06/48/386870648.db2.gz XMBKJVIUWHJWGX-CQSZACIVSA-N 1 2 243.306 1.676 20 30 BDEDLO COC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000051814869 386870654 /nfs/dbraw/zinc/87/06/54/386870654.db2.gz XMBKJVIUWHJWGX-CQSZACIVSA-N 1 2 243.306 1.676 20 30 BDEDLO Cc1ccn2cc(CNC(=O)[C@H](C)C#N)[nH+]c2c1 ZINC000334823911 386955147 /nfs/dbraw/zinc/95/51/47/386955147.db2.gz JUGPAPAXXYTCBR-SNVBAGLBSA-N 1 2 242.282 1.419 20 30 BDEDLO Cc1cc(N[C@H](C)[C@H](C)CO)c(C#N)c[nH+]1 ZINC000399185452 387039994 /nfs/dbraw/zinc/03/99/94/387039994.db2.gz NOZPNAHRUIBIKJ-PSASIEDQSA-N 1 2 219.288 1.112 20 30 BDEDLO Cc1cc(NCCc2nccs2)c(C#N)c[nH+]1 ZINC000399617982 387044530 /nfs/dbraw/zinc/04/45/30/387044530.db2.gz YDKKLUVVNUIOJG-UHFFFAOYSA-N 1 2 244.323 1.795 20 30 BDEDLO Cc1cc(NC[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000399560299 387015190 /nfs/dbraw/zinc/01/51/90/387015190.db2.gz FBLYGPGYCFZGRA-NSHDSACASA-N 1 2 217.272 1.275 20 30 BDEDLO Cc1cccc(C)c1C[NH+]1CC(O)(CC#N)C1 ZINC000334880251 387021890 /nfs/dbraw/zinc/02/18/90/387021890.db2.gz ZVUXCSPXNZVWBM-UHFFFAOYSA-N 1 2 230.311 1.764 20 30 BDEDLO Cc1cc(NCc2ccnn2C)c(C#N)c[nH+]1 ZINC000399649871 387077784 /nfs/dbraw/zinc/07/77/84/387077784.db2.gz MNIJNAPMYRUDFB-UHFFFAOYSA-N 1 2 227.271 1.029 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000424584794 387188537 /nfs/dbraw/zinc/18/85/37/387188537.db2.gz BILARBRDRQOFEG-LLVKDONJSA-N 1 2 235.331 1.990 20 30 BDEDLO CCOCCNc1cc(C)[nH+]cc1C#N ZINC000399723703 387138363 /nfs/dbraw/zinc/13/83/63/387138363.db2.gz JFBGTZGIPANACR-UHFFFAOYSA-N 1 2 205.261 1.132 20 30 BDEDLO CC[C@@](C)(CNc1cc(C)[nH+]cc1C#N)OC ZINC000399474589 387141209 /nfs/dbraw/zinc/14/12/09/387141209.db2.gz WTLPAGLILSEEGA-ZDUSSCGKSA-N 1 2 233.315 1.911 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000643499166 387279198 /nfs/dbraw/zinc/27/91/98/387279198.db2.gz COSRXKIAKXKQDI-RDDDGLTNSA-N 1 2 240.253 1.655 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(CC#N)CC1 ZINC000514798096 387294034 /nfs/dbraw/zinc/29/40/34/387294034.db2.gz HOCWWYWOPZFDKM-SNVBAGLBSA-N 1 2 246.314 1.398 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(CC#N)CC1 ZINC000514798096 387294040 /nfs/dbraw/zinc/29/40/40/387294040.db2.gz HOCWWYWOPZFDKM-SNVBAGLBSA-N 1 2 246.314 1.398 20 30 BDEDLO C=C(C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686634 387304151 /nfs/dbraw/zinc/30/41/51/387304151.db2.gz QGIKRFNIQLDLGU-UHFFFAOYSA-N 1 2 237.347 1.110 20 30 BDEDLO C=C(C)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000078686634 387304157 /nfs/dbraw/zinc/30/41/57/387304157.db2.gz QGIKRFNIQLDLGU-UHFFFAOYSA-N 1 2 237.347 1.110 20 30 BDEDLO C=C(C)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000078686634 387304161 /nfs/dbraw/zinc/30/41/61/387304161.db2.gz QGIKRFNIQLDLGU-UHFFFAOYSA-N 1 2 237.347 1.110 20 30 BDEDLO CC1(C#N)C[NH+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000515308281 387362532 /nfs/dbraw/zinc/36/25/32/387362532.db2.gz IQQZPIQAPOBQGO-MNOVXSKESA-N 1 2 208.305 1.383 20 30 BDEDLO C[C@H]1OCC[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000191365370 387384328 /nfs/dbraw/zinc/38/43/28/387384328.db2.gz AWTDQTHXZDWUMO-WDEREUQCSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@H]1OCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000191365370 387384333 /nfs/dbraw/zinc/38/43/33/387384333.db2.gz AWTDQTHXZDWUMO-WDEREUQCSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@]1(C#N)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527533566 387625060 /nfs/dbraw/zinc/62/50/60/387625060.db2.gz JRHGLXDVTANPJV-ZDUSSCGKSA-N 1 2 246.314 1.425 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000527240540 387548564 /nfs/dbraw/zinc/54/85/64/387548564.db2.gz XJRLAYKBJCGXMA-VIFPVBQESA-N 1 2 220.276 1.151 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000527240540 387548566 /nfs/dbraw/zinc/54/85/66/387548566.db2.gz XJRLAYKBJCGXMA-VIFPVBQESA-N 1 2 220.276 1.151 20 30 BDEDLO CC#CCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000278967346 387559432 /nfs/dbraw/zinc/55/94/32/387559432.db2.gz PRXJRJLOLRDJNW-UHFFFAOYSA-N 1 2 242.273 1.388 20 30 BDEDLO CC#CCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278967346 387559437 /nfs/dbraw/zinc/55/94/37/387559437.db2.gz PRXJRJLOLRDJNW-UHFFFAOYSA-N 1 2 242.273 1.388 20 30 BDEDLO C#CC[N@@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000279016525 387562237 /nfs/dbraw/zinc/56/22/37/387562237.db2.gz GBHGQGDVYOHSBS-KBPBESRZSA-N 1 2 243.306 1.998 20 30 BDEDLO C#CC[N@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000279016525 387562242 /nfs/dbraw/zinc/56/22/42/387562242.db2.gz GBHGQGDVYOHSBS-KBPBESRZSA-N 1 2 243.306 1.998 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376958267 387682083 /nfs/dbraw/zinc/68/20/83/387682083.db2.gz OXXARXQVAMHGMV-GHMZBOCLSA-N 1 2 246.314 1.064 20 30 BDEDLO C=CC[C@@H](CO)CNc1[nH+]cccc1OC ZINC000527944485 387781215 /nfs/dbraw/zinc/78/12/15/387781215.db2.gz FDAMVWUEFQWOAS-SNVBAGLBSA-N 1 2 222.288 1.687 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cccnc2C)nn1 ZINC000424171684 387864717 /nfs/dbraw/zinc/86/47/17/387864717.db2.gz MQRFTBBLKIABJP-UHFFFAOYSA-N 1 2 243.314 1.457 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2scnc2C)nn1 ZINC000424174910 387878396 /nfs/dbraw/zinc/87/83/96/387878396.db2.gz SLVRCVUBSFPIGT-UHFFFAOYSA-N 1 2 249.343 1.519 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000045911315 388002858 /nfs/dbraw/zinc/00/28/58/388002858.db2.gz XAGHWXUGJZEUTN-UHFFFAOYSA-N 1 2 232.283 1.199 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000045911315 388002862 /nfs/dbraw/zinc/00/28/62/388002862.db2.gz XAGHWXUGJZEUTN-UHFFFAOYSA-N 1 2 232.283 1.199 20 30 BDEDLO CCOC(=O)[C@H](CC)[NH+]1CCC(C#N)CC1 ZINC000084103402 388072223 /nfs/dbraw/zinc/07/22/23/388072223.db2.gz VDTMKARTXRMGBE-NSHDSACASA-N 1 2 224.304 1.564 20 30 BDEDLO C#CC[N@@H+](CCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000117879613 388092053 /nfs/dbraw/zinc/09/20/53/388092053.db2.gz MRVHVUOVRIGKIL-GFCCVEGCSA-N 1 2 243.372 1.299 20 30 BDEDLO C#CC[N@H+](CCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000117879613 388092055 /nfs/dbraw/zinc/09/20/55/388092055.db2.gz MRVHVUOVRIGKIL-GFCCVEGCSA-N 1 2 243.372 1.299 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@@H](C(N)=O)C1 ZINC000249969155 388160743 /nfs/dbraw/zinc/16/07/43/388160743.db2.gz KGZWVZLRFGWSQF-JOYOIKCWSA-N 1 2 247.298 1.237 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H](C(N)=O)C1 ZINC000249969155 388160745 /nfs/dbraw/zinc/16/07/45/388160745.db2.gz KGZWVZLRFGWSQF-JOYOIKCWSA-N 1 2 247.298 1.237 20 30 BDEDLO C=C[C@@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455534442 388162831 /nfs/dbraw/zinc/16/28/31/388162831.db2.gz UVSAMNSTDWRJAE-NSHDSACASA-N 1 2 249.314 1.675 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nccnc1OC ZINC000449287189 388167925 /nfs/dbraw/zinc/16/79/25/388167925.db2.gz WCRJHORKPBKDTL-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nccnc1OC ZINC000449287189 388167926 /nfs/dbraw/zinc/16/79/26/388167926.db2.gz WCRJHORKPBKDTL-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO C=C(CC)CNC(=O)NCCn1cc[nH+]c1 ZINC000454606351 388125063 /nfs/dbraw/zinc/12/50/63/388125063.db2.gz CVUVRUHOQRTIGM-UHFFFAOYSA-N 1 2 222.292 1.149 20 30 BDEDLO C#CC[N@H+](CC#CC)CCn1c(C)csc1=O ZINC000490714014 388248660 /nfs/dbraw/zinc/24/86/60/388248660.db2.gz NEZNWLWVSPSNSE-UHFFFAOYSA-N 1 2 248.351 1.177 20 30 BDEDLO C#CC[N@@H+](CC#CC)CCn1c(C)csc1=O ZINC000490714014 388248661 /nfs/dbraw/zinc/24/86/61/388248661.db2.gz NEZNWLWVSPSNSE-UHFFFAOYSA-N 1 2 248.351 1.177 20 30 BDEDLO C#CCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490717725 388249710 /nfs/dbraw/zinc/24/97/10/388249710.db2.gz FCLYUKPFYUGGQN-UHFFFAOYSA-N 1 2 227.267 1.245 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(OC)n1 ZINC000490778862 388254383 /nfs/dbraw/zinc/25/43/83/388254383.db2.gz NDDGLJPGBMNAQD-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(OC)n1 ZINC000490778862 388254386 /nfs/dbraw/zinc/25/43/86/388254386.db2.gz NDDGLJPGBMNAQD-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#CC[N@H+](CC)CCCS(=O)(=O)C(C)C ZINC000490820808 388255644 /nfs/dbraw/zinc/25/56/44/388255644.db2.gz PRTZZWKKZOEBPO-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO C#CC[N@@H+](CC)CCCS(=O)(=O)C(C)C ZINC000490820808 388255647 /nfs/dbraw/zinc/25/56/47/388255647.db2.gz PRTZZWKKZOEBPO-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO C#CCN(CC#CC)Cc1[nH+]ccn1CC ZINC000490899291 388259059 /nfs/dbraw/zinc/25/90/59/388259059.db2.gz NZUHILZMOSCNHO-UHFFFAOYSA-N 1 2 215.300 1.362 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C)cn1 ZINC000490925792 388260368 /nfs/dbraw/zinc/26/03/68/388260368.db2.gz YEBMSJFUOPEQJF-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C)cn1 ZINC000490925792 388260369 /nfs/dbraw/zinc/26/03/69/388260369.db2.gz YEBMSJFUOPEQJF-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO CC(C)OC(=O)[C@@H]([NH2+]CCCC#N)C(C)C ZINC000451581515 388282996 /nfs/dbraw/zinc/28/29/96/388282996.db2.gz CIVJMIUZAMTQIE-NSHDSACASA-N 1 2 226.320 1.856 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000491325715 388285071 /nfs/dbraw/zinc/28/50/71/388285071.db2.gz GFIAYELLZQQQRP-JTQLQIEISA-N 1 2 232.327 1.778 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000491325715 388285073 /nfs/dbraw/zinc/28/50/73/388285073.db2.gz GFIAYELLZQQQRP-JTQLQIEISA-N 1 2 232.327 1.778 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000491327614 388285956 /nfs/dbraw/zinc/28/59/56/388285956.db2.gz WXMPMWZYSWBJPV-GFCCVEGCSA-N 1 2 231.295 1.683 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000491327614 388285957 /nfs/dbraw/zinc/28/59/57/388285957.db2.gz WXMPMWZYSWBJPV-GFCCVEGCSA-N 1 2 231.295 1.683 20 30 BDEDLO C#CC[N@@H+](Cc1ncc(C)cn1)C1CC1 ZINC000491494156 388298730 /nfs/dbraw/zinc/29/87/30/388298730.db2.gz AWYLWFMHXXIXIR-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CC[N@H+](Cc1ncc(C)cn1)C1CC1 ZINC000491494156 388298731 /nfs/dbraw/zinc/29/87/31/388298731.db2.gz AWYLWFMHXXIXIR-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491514134 388300417 /nfs/dbraw/zinc/30/04/17/388300417.db2.gz GXRSLTYNGBKBCO-AXFHLTTASA-N 1 2 246.314 1.600 20 30 BDEDLO C#C[C@H](CC)[NH2+]Cc1cc(COC)on1 ZINC000491555061 388303591 /nfs/dbraw/zinc/30/35/91/388303591.db2.gz OJEFNJVZWFNQJK-SECBINFHSA-N 1 2 208.261 1.322 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000491706266 388313409 /nfs/dbraw/zinc/31/34/09/388313409.db2.gz LQBSHSDHVDTRAJ-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000491706266 388313410 /nfs/dbraw/zinc/31/34/10/388313410.db2.gz LQBSHSDHVDTRAJ-GFCCVEGCSA-N 1 2 230.311 1.887 20 30 BDEDLO C#CCN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491709706 388313732 /nfs/dbraw/zinc/31/37/32/388313732.db2.gz WXBANYAKPHGYHR-SNVBAGLBSA-N 1 2 219.288 1.070 20 30 BDEDLO C#CCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491709706 388313733 /nfs/dbraw/zinc/31/37/33/388313733.db2.gz WXBANYAKPHGYHR-SNVBAGLBSA-N 1 2 219.288 1.070 20 30 BDEDLO C#CC[N@@H+](CC(=O)NC1CCCCCC1)C1CC1 ZINC000491717086 388314250 /nfs/dbraw/zinc/31/42/50/388314250.db2.gz PODPVKOADDLULJ-UHFFFAOYSA-N 1 2 248.370 1.923 20 30 BDEDLO C#CC[N@H+](CC(=O)NC1CCCCCC1)C1CC1 ZINC000491717086 388314251 /nfs/dbraw/zinc/31/42/51/388314251.db2.gz PODPVKOADDLULJ-UHFFFAOYSA-N 1 2 248.370 1.923 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OC)cc1 ZINC000491740832 388317055 /nfs/dbraw/zinc/31/70/55/388317055.db2.gz KHUNBSFAXMQIQB-ZDUSSCGKSA-N 1 2 231.295 1.529 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000491740832 388317056 /nfs/dbraw/zinc/31/70/56/388317056.db2.gz KHUNBSFAXMQIQB-ZDUSSCGKSA-N 1 2 231.295 1.529 20 30 BDEDLO C#CCN(CC#N)Cc1c[nH+]c2ccccn12 ZINC000491742492 388317120 /nfs/dbraw/zinc/31/71/20/388317120.db2.gz SQHPGDHOPRQLTA-UHFFFAOYSA-N 1 2 224.267 1.293 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000491750066 388317653 /nfs/dbraw/zinc/31/76/53/388317653.db2.gz UHQIWEFVNIPYHA-LBPRGKRZSA-N 1 2 241.294 1.866 20 30 BDEDLO C#CCN(CC#N)Cc1cn2cc(C)ccc2[nH+]1 ZINC000491811186 388322580 /nfs/dbraw/zinc/32/25/80/388322580.db2.gz BVWJQKCUCGWOFD-UHFFFAOYSA-N 1 2 238.294 1.602 20 30 BDEDLO C#CCN1CCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000491092054 388268679 /nfs/dbraw/zinc/26/86/79/388268679.db2.gz ASUNSRASYDUKQH-UHFFFAOYSA-N 1 2 244.342 1.103 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)cn1 ZINC000491099372 388269839 /nfs/dbraw/zinc/26/98/39/388269839.db2.gz ASTLIOAOMBSYEZ-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)cn1 ZINC000491099372 388269840 /nfs/dbraw/zinc/26/98/40/388269840.db2.gz ASTLIOAOMBSYEZ-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO CCC[C@H](C#N)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492413672 388343885 /nfs/dbraw/zinc/34/38/85/388343885.db2.gz YJVSMHDCFIVWGI-XUIVZRPNSA-N 1 2 246.314 1.725 20 30 BDEDLO C#CCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492445029 388344447 /nfs/dbraw/zinc/34/44/47/388344447.db2.gz GXVLCMYCRQVWLL-VOTSOKGWSA-N 1 2 217.272 1.056 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)s1 ZINC000162078606 388346008 /nfs/dbraw/zinc/34/60/08/388346008.db2.gz SBCZHAHLGVOAID-LLVKDONJSA-N 1 2 249.339 1.460 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)s1 ZINC000162078606 388346011 /nfs/dbraw/zinc/34/60/11/388346011.db2.gz SBCZHAHLGVOAID-LLVKDONJSA-N 1 2 249.339 1.460 20 30 BDEDLO C[C@H](CO)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459376303 388354782 /nfs/dbraw/zinc/35/47/82/388354782.db2.gz NZICUIWCNSHYGS-SECBINFHSA-N 1 2 249.270 1.279 20 30 BDEDLO C[C@H](CO)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459376303 388354783 /nfs/dbraw/zinc/35/47/83/388354783.db2.gz NZICUIWCNSHYGS-SECBINFHSA-N 1 2 249.270 1.279 20 30 BDEDLO COCC[N@H+](CC#N)C[C@H]1CCC(F)(F)C1 ZINC000316484440 388414716 /nfs/dbraw/zinc/41/47/16/388414716.db2.gz NJALZGKDMKLGDA-JTQLQIEISA-N 1 2 232.274 1.894 20 30 BDEDLO COCC[N@@H+](CC#N)C[C@H]1CCC(F)(F)C1 ZINC000316484440 388414717 /nfs/dbraw/zinc/41/47/17/388414717.db2.gz NJALZGKDMKLGDA-JTQLQIEISA-N 1 2 232.274 1.894 20 30 BDEDLO CCOC(=O)c1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000517212541 388542382 /nfs/dbraw/zinc/54/23/82/388542382.db2.gz DTZPBYNQWUXTHF-UHFFFAOYSA-N 1 2 248.282 1.850 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)nn1 ZINC000517245077 388546076 /nfs/dbraw/zinc/54/60/76/388546076.db2.gz RBWUCTFIGYNMRZ-SECBINFHSA-N 1 2 220.276 1.267 20 30 BDEDLO Cc1ccc(COc2cnc(C#N)nc2)c(C)[nH+]1 ZINC000488807910 388596383 /nfs/dbraw/zinc/59/63/83/388596383.db2.gz XWDUDHDBHBJYKU-UHFFFAOYSA-N 1 2 240.266 1.939 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000192220045 388676536 /nfs/dbraw/zinc/67/65/36/388676536.db2.gz MDAKEVWTTFUZMX-UHFFFAOYSA-N 1 2 223.297 1.600 20 30 BDEDLO C#CC[N@H+](C)Cc1ccsc1C(=O)OC ZINC000192220045 388676539 /nfs/dbraw/zinc/67/65/39/388676539.db2.gz MDAKEVWTTFUZMX-UHFFFAOYSA-N 1 2 223.297 1.600 20 30 BDEDLO C[C@@H]1C[N@H+](CCNc2ncccc2C#N)CCO1 ZINC000523463821 388677589 /nfs/dbraw/zinc/67/75/89/388677589.db2.gz YQSXXMOKHJPZAT-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1C[N@@H+](CCNc2ncccc2C#N)CCO1 ZINC000523463821 388677592 /nfs/dbraw/zinc/67/75/92/388677592.db2.gz YQSXXMOKHJPZAT-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000564388974 388679786 /nfs/dbraw/zinc/67/97/86/388679786.db2.gz LPIZLYFBRIBTLF-LLVKDONJSA-N 1 2 235.331 1.233 20 30 BDEDLO C=CCC[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000249135833 388710481 /nfs/dbraw/zinc/71/04/81/388710481.db2.gz VKJVYXGAYOSBKL-GARJFASQSA-N 1 2 229.320 1.243 20 30 BDEDLO CCn1cc(C[N@H+](C)CC2(C#N)CC2)cn1 ZINC000540551569 388810402 /nfs/dbraw/zinc/81/04/02/388810402.db2.gz MSQBEXCZHZQWCF-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CCn1cc(C[N@@H+](C)CC2(C#N)CC2)cn1 ZINC000540551569 388810407 /nfs/dbraw/zinc/81/04/07/388810407.db2.gz MSQBEXCZHZQWCF-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CC[N@@H+](Cc1ccc(CO)o1)C[C@H](C)C#N ZINC000091983466 388778772 /nfs/dbraw/zinc/77/87/72/388778772.db2.gz MZSJMWFXSACZMK-SNVBAGLBSA-N 1 2 222.288 1.753 20 30 BDEDLO CC[N@H+](Cc1ccc(CO)o1)C[C@H](C)C#N ZINC000091983466 388778776 /nfs/dbraw/zinc/77/87/76/388778776.db2.gz MZSJMWFXSACZMK-SNVBAGLBSA-N 1 2 222.288 1.753 20 30 BDEDLO COc1ncccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000554552177 388820680 /nfs/dbraw/zinc/82/06/80/388820680.db2.gz IFLVTWIBAKEVRH-LLVKDONJSA-N 1 2 244.298 1.623 20 30 BDEDLO Cc1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541020343 388836209 /nfs/dbraw/zinc/83/62/09/388836209.db2.gz PACYFBAWDQLCQK-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO C#CCC[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000272751640 389035478 /nfs/dbraw/zinc/03/54/78/389035478.db2.gz LXDRGWHKCXOUPG-LLVKDONJSA-N 1 2 211.305 1.577 20 30 BDEDLO C[C@@H](CCCC#N)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001172494617 974845186 /nfs/dbraw/zinc/84/51/86/974845186.db2.gz WKDWTDBKIOZGTJ-UWVGGRQHSA-N 1 2 232.274 1.771 20 30 BDEDLO C[C@@H](CCCC#N)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001172494617 974845187 /nfs/dbraw/zinc/84/51/87/974845187.db2.gz WKDWTDBKIOZGTJ-UWVGGRQHSA-N 1 2 232.274 1.771 20 30 BDEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)nn1C ZINC000487411359 533590357 /nfs/dbraw/zinc/59/03/57/533590357.db2.gz HVIHLWVOWNVCGF-UHFFFAOYSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1ccc(N2CCn3c[nH+]cc3C2)nc1C#N ZINC000377978561 132289711 /nfs/dbraw/zinc/28/97/11/132289711.db2.gz SQAFGGOFPVGDDN-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO N#Cc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284621457 133562917 /nfs/dbraw/zinc/56/29/17/133562917.db2.gz ZPDSUFBRIKMYHH-LBPRGKRZSA-N 1 2 245.282 1.526 20 30 BDEDLO N#CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330296587 134000645 /nfs/dbraw/zinc/00/06/45/134000645.db2.gz GIVFJJRNCRKPTR-SNVBAGLBSA-N 1 2 244.298 1.848 20 30 BDEDLO CC#CC[NH2+]C(C)(C)c1cc(C(=O)OC)on1 ZINC000352004133 134034612 /nfs/dbraw/zinc/03/46/12/134034612.db2.gz BXRJTKYYHZIQAX-UHFFFAOYSA-N 1 2 236.271 1.309 20 30 BDEDLO C[C@H](C#N)CN(C)Cc1c[nH+]c2ccccn12 ZINC000352086576 134060931 /nfs/dbraw/zinc/06/09/31/134060931.db2.gz FDIFFGABLAJZDK-LLVKDONJSA-N 1 2 228.299 1.926 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)C[C@H](C)C#N)c[nH]1 ZINC000352098085 134064877 /nfs/dbraw/zinc/06/48/77/134064877.db2.gz ZTUZKXPGENSCDY-SECBINFHSA-N 1 2 235.287 1.393 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)C[C@H](C)C#N)c[nH]1 ZINC000352098085 134064878 /nfs/dbraw/zinc/06/48/78/134064878.db2.gz ZTUZKXPGENSCDY-SECBINFHSA-N 1 2 235.287 1.393 20 30 BDEDLO C=C1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000336616201 134151502 /nfs/dbraw/zinc/15/15/02/134151502.db2.gz AAEQOZWMZSPBDB-UHFFFAOYSA-N 1 2 209.318 1.999 20 30 BDEDLO CC#CC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352888775 134156691 /nfs/dbraw/zinc/15/66/91/134156691.db2.gz QGGSMDXOCQBELE-MJVIPROJSA-N 1 2 213.346 1.241 20 30 BDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC1(C#N)CC1 ZINC000352887945 134157041 /nfs/dbraw/zinc/15/70/41/134157041.db2.gz LSAAHSOERUIIQV-OLZOCXBDSA-N 1 2 249.358 1.085 20 30 BDEDLO C#CCOCCNc1nc(N)c2ccccc2[nH+]1 ZINC000302196390 134157647 /nfs/dbraw/zinc/15/76/47/134157647.db2.gz XMLLDLQAXBYNKF-UHFFFAOYSA-N 1 2 242.282 1.274 20 30 BDEDLO Cc1nocc1C[NH+]1CCC(F)(C#N)CC1 ZINC000353462780 134164088 /nfs/dbraw/zinc/16/40/88/134164088.db2.gz PGYGUCODGREUQC-UHFFFAOYSA-N 1 2 223.251 1.811 20 30 BDEDLO C[N@H+](Cc1cncnc1)CC(C)(C)C#N ZINC000354019161 134165839 /nfs/dbraw/zinc/16/58/39/134165839.db2.gz UYSWQDWQFWYPNW-UHFFFAOYSA-N 1 2 204.277 1.458 20 30 BDEDLO C[N@@H+](Cc1cncnc1)CC(C)(C)C#N ZINC000354019161 134165840 /nfs/dbraw/zinc/16/58/40/134165840.db2.gz UYSWQDWQFWYPNW-UHFFFAOYSA-N 1 2 204.277 1.458 20 30 BDEDLO C[N@H+](Cc1cnc2cnccn12)CC(C)(C)C#N ZINC000354019500 134166076 /nfs/dbraw/zinc/16/60/76/134166076.db2.gz ZAKNPOGDPQDWOK-UHFFFAOYSA-N 1 2 243.314 1.711 20 30 BDEDLO C[N@@H+](Cc1cnc2cnccn12)CC(C)(C)C#N ZINC000354019500 134166077 /nfs/dbraw/zinc/16/60/77/134166077.db2.gz ZAKNPOGDPQDWOK-UHFFFAOYSA-N 1 2 243.314 1.711 20 30 BDEDLO C=CCOCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000354769554 134169818 /nfs/dbraw/zinc/16/98/18/134169818.db2.gz ZZUYERJMKBSDNI-LLVKDONJSA-N 1 2 249.314 1.666 20 30 BDEDLO C=CCOCC(=O)Nc1c[nH+]ccc1OC ZINC000354769166 134169843 /nfs/dbraw/zinc/16/98/43/134169843.db2.gz HRUJQVUTSSKTII-UHFFFAOYSA-N 1 2 222.244 1.231 20 30 BDEDLO C=CC[N@@H+](CC(=O)c1cccn1C)C1CC1 ZINC000357552348 134184163 /nfs/dbraw/zinc/18/41/63/134184163.db2.gz MGNGMJHDXXQWKR-UHFFFAOYSA-N 1 2 218.300 1.858 20 30 BDEDLO C=CC[N@H+](CC(=O)c1cccn1C)C1CC1 ZINC000357552348 134184164 /nfs/dbraw/zinc/18/41/64/134184164.db2.gz MGNGMJHDXXQWKR-UHFFFAOYSA-N 1 2 218.300 1.858 20 30 BDEDLO N#CCCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360379981 134200132 /nfs/dbraw/zinc/20/01/32/134200132.db2.gz VAOBKBCJSMSLMI-SECBINFHSA-N 1 2 232.287 1.077 20 30 BDEDLO N#CCCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360379981 134200133 /nfs/dbraw/zinc/20/01/33/134200133.db2.gz VAOBKBCJSMSLMI-SECBINFHSA-N 1 2 232.287 1.077 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000362397000 134211016 /nfs/dbraw/zinc/21/10/16/134211016.db2.gz GQROSULDPSFAPZ-SNVBAGLBSA-N 1 2 222.292 1.147 20 30 BDEDLO C[C@H]1C[N@H+](CCC#N)CC2(CCOCC2)O1 ZINC000369282535 134222426 /nfs/dbraw/zinc/22/24/26/134222426.db2.gz HKUKUNZVPPCYPZ-NSHDSACASA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@H]1C[N@@H+](CCC#N)CC2(CCOCC2)O1 ZINC000369282535 134222427 /nfs/dbraw/zinc/22/24/27/134222427.db2.gz HKUKUNZVPPCYPZ-NSHDSACASA-N 1 2 224.304 1.170 20 30 BDEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCC#N)C1 ZINC000369906053 134223484 /nfs/dbraw/zinc/22/34/84/134223484.db2.gz KTZFHOHLFBUCLK-LBPRGKRZSA-N 1 2 247.346 1.952 20 30 BDEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000369906053 134223485 /nfs/dbraw/zinc/22/34/85/134223485.db2.gz KTZFHOHLFBUCLK-LBPRGKRZSA-N 1 2 247.346 1.952 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000373151064 134233730 /nfs/dbraw/zinc/23/37/30/134233730.db2.gz HDEHSDQXXXLUHN-LLVKDONJSA-N 1 2 245.330 1.706 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000373151064 134233731 /nfs/dbraw/zinc/23/37/31/134233731.db2.gz HDEHSDQXXXLUHN-LLVKDONJSA-N 1 2 245.330 1.706 20 30 BDEDLO CC#CCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000373350221 134233918 /nfs/dbraw/zinc/23/39/18/134233918.db2.gz ZMTARMOIPMCVGW-UHFFFAOYSA-N 1 2 245.326 1.727 20 30 BDEDLO N#CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373476620 134234484 /nfs/dbraw/zinc/23/44/84/134234484.db2.gz SGQNBCUAVPDZHN-NSHDSACASA-N 1 2 244.298 1.080 20 30 BDEDLO C=CCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000182610097 134346465 /nfs/dbraw/zinc/34/64/65/134346465.db2.gz UJUYBVMIALVRBU-NSHDSACASA-N 1 2 215.293 1.120 20 30 BDEDLO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](C)C#N ZINC000225430690 134353509 /nfs/dbraw/zinc/35/35/09/134353509.db2.gz JVTUHBVFSOQKBQ-HTQZYQBOSA-N 1 2 224.226 1.391 20 30 BDEDLO CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@H](C)C#N ZINC000225430690 134353510 /nfs/dbraw/zinc/35/35/10/134353510.db2.gz JVTUHBVFSOQKBQ-HTQZYQBOSA-N 1 2 224.226 1.391 20 30 BDEDLO NC(CCO)=[NH+]OCc1ccccc1Cl ZINC000136066479 134785428 /nfs/dbraw/zinc/78/54/28/134785428.db2.gz VKWBVRXRNRFXRM-UHFFFAOYSA-N 1 2 228.679 1.511 20 30 BDEDLO CC[N@@H+](CC#N)CCCO[C@H]1CCCCO1 ZINC000338235786 135030962 /nfs/dbraw/zinc/03/09/62/135030962.db2.gz UHVDQAIYGJDZSJ-LBPRGKRZSA-N 1 2 226.320 1.765 20 30 BDEDLO CC[N@H+](CC#N)CCCO[C@H]1CCCCO1 ZINC000338235786 135030964 /nfs/dbraw/zinc/03/09/64/135030964.db2.gz UHVDQAIYGJDZSJ-LBPRGKRZSA-N 1 2 226.320 1.765 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249806809 135045067 /nfs/dbraw/zinc/04/50/67/135045067.db2.gz AIKKUEIBFFUKBS-NEPJUHHUSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCNC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249806809 135045068 /nfs/dbraw/zinc/04/50/68/135045068.db2.gz AIKKUEIBFFUKBS-NEPJUHHUSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H](C)C#N ZINC000249980185 135047535 /nfs/dbraw/zinc/04/75/35/135047535.db2.gz RBDNTEKNWZIMKJ-VXGBXAGGSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H](C)C#N ZINC000249980185 135047537 /nfs/dbraw/zinc/04/75/37/135047537.db2.gz RBDNTEKNWZIMKJ-VXGBXAGGSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[C@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000263850128 135128308 /nfs/dbraw/zinc/12/83/08/135128308.db2.gz YKCYMEMHDXGOFF-SNVBAGLBSA-N 1 2 242.282 1.295 20 30 BDEDLO C[N@H+](Cc1cccnc1)CC1(C#N)CC1 ZINC000258799279 135133926 /nfs/dbraw/zinc/13/39/26/135133926.db2.gz AKFYOVSAMDEADQ-UHFFFAOYSA-N 1 2 201.273 1.817 20 30 BDEDLO C[N@@H+](Cc1cccnc1)CC1(C#N)CC1 ZINC000258799279 135133928 /nfs/dbraw/zinc/13/39/28/135133928.db2.gz AKFYOVSAMDEADQ-UHFFFAOYSA-N 1 2 201.273 1.817 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266909640 135150597 /nfs/dbraw/zinc/15/05/97/135150597.db2.gz INUTUHZJWOONCN-SNVBAGLBSA-N 1 2 204.277 1.503 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266909640 135150599 /nfs/dbraw/zinc/15/05/99/135150599.db2.gz INUTUHZJWOONCN-SNVBAGLBSA-N 1 2 204.277 1.503 20 30 BDEDLO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CCC#N)C1 ZINC000270672687 135172753 /nfs/dbraw/zinc/17/27/53/135172753.db2.gz RRFTZUCOCRHFHP-SNVBAGLBSA-N 1 2 238.287 1.068 20 30 BDEDLO COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)CCC#N)C1 ZINC000270672687 135172756 /nfs/dbraw/zinc/17/27/56/135172756.db2.gz RRFTZUCOCRHFHP-SNVBAGLBSA-N 1 2 238.287 1.068 20 30 BDEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCOC2)c1 ZINC000298452452 135199287 /nfs/dbraw/zinc/19/92/87/135199287.db2.gz YTCGJDCZJMCKTC-WWNSAXIVSA-N 1 2 235.283 1.856 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000121306421 135222871 /nfs/dbraw/zinc/22/28/71/135222871.db2.gz UHJNUHLVCKHQAZ-UHFFFAOYSA-N 1 2 246.310 1.946 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000121306421 135222873 /nfs/dbraw/zinc/22/28/73/135222873.db2.gz UHJNUHLVCKHQAZ-UHFFFAOYSA-N 1 2 246.310 1.946 20 30 BDEDLO C[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341685955 135241964 /nfs/dbraw/zinc/24/19/64/135241964.db2.gz DZDRPLYIBDMFHZ-WPRPVWTQSA-N 1 2 232.287 1.147 20 30 BDEDLO Cc1cc(C#N)cc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000342410609 135265724 /nfs/dbraw/zinc/26/57/24/135265724.db2.gz GXFGAKJPYCMENV-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1nccc(C#N)c1Cl ZINC000342408797 135272532 /nfs/dbraw/zinc/27/25/32/135272532.db2.gz BVWSNDAYIOTSHV-UHFFFAOYSA-N 1 2 247.689 1.966 20 30 BDEDLO N#CCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000342640862 135299761 /nfs/dbraw/zinc/29/97/61/135299761.db2.gz CYHWAIWDMBRESX-UHFFFAOYSA-N 1 2 228.255 1.368 20 30 BDEDLO Cc1[nH]c2ccc(Cn3ccnc3C#N)cc2[nH+]1 ZINC000342651812 135307643 /nfs/dbraw/zinc/30/76/43/135307643.db2.gz HMIWENCDBZVGPL-UHFFFAOYSA-N 1 2 237.266 1.988 20 30 BDEDLO Cc1[nH]c2cc(Cn3ccnc3C#N)ccc2[nH+]1 ZINC000342651812 135307644 /nfs/dbraw/zinc/30/76/44/135307644.db2.gz HMIWENCDBZVGPL-UHFFFAOYSA-N 1 2 237.266 1.988 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000266026824 135363462 /nfs/dbraw/zinc/36/34/62/135363462.db2.gz YTKWURBAGOTCGJ-UHFFFAOYSA-N 1 2 248.351 1.529 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(C#N)CCCC1 ZINC000266996993 135363537 /nfs/dbraw/zinc/36/35/37/135363537.db2.gz XBSOOAZPFVUNBR-UHFFFAOYSA-N 1 2 232.287 1.418 20 30 BDEDLO N#CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000080214990 135367021 /nfs/dbraw/zinc/36/70/21/135367021.db2.gz HCPDJDPCSCTBJB-GFCCVEGCSA-N 1 2 208.305 1.934 20 30 BDEDLO N#CC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000080214990 135367022 /nfs/dbraw/zinc/36/70/22/135367022.db2.gz HCPDJDPCSCTBJB-GFCCVEGCSA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@H]([NH2+]CCC(C)(C)C#N)c1ncn(C)n1 ZINC000275539615 135367504 /nfs/dbraw/zinc/36/75/04/135367504.db2.gz LNHSRVRLQLDFGH-VIFPVBQESA-N 1 2 221.308 1.406 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000278858303 135369003 /nfs/dbraw/zinc/36/90/03/135369003.db2.gz WEXXOWGJQBUCOR-PWSUYJOCSA-N 1 2 218.304 1.890 20 30 BDEDLO Cc1cc(N)nc(SCCCC#N)[nH+]1 ZINC000073416102 135389470 /nfs/dbraw/zinc/38/94/70/135389470.db2.gz PEBHKOZOPWWCIG-UHFFFAOYSA-N 1 2 208.290 1.763 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)CCn1cc[nH+]c1 ZINC000281056083 135499844 /nfs/dbraw/zinc/49/98/44/135499844.db2.gz KUYWEVFXTASKTE-LLVKDONJSA-N 1 2 221.304 1.744 20 30 BDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](C)CC1 ZINC000044764535 322843324 /nfs/dbraw/zinc/84/33/24/322843324.db2.gz GDYIYYHKIUBQEW-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348578662 136100820 /nfs/dbraw/zinc/10/08/20/136100820.db2.gz OULPRKFAUCIFJC-GFCCVEGCSA-N 1 2 247.342 1.513 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348578662 136100821 /nfs/dbraw/zinc/10/08/21/136100821.db2.gz OULPRKFAUCIFJC-GFCCVEGCSA-N 1 2 247.342 1.513 20 30 BDEDLO N#CC1(F)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000348707555 136116635 /nfs/dbraw/zinc/11/66/35/136116635.db2.gz JHWLPXQNZAUVED-UHFFFAOYSA-N 1 2 208.240 1.237 20 30 BDEDLO C#CC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000051964087 322852368 /nfs/dbraw/zinc/85/23/68/322852368.db2.gz CZCHFCKIJPASCC-NSHDSACASA-N 1 2 209.289 1.331 20 30 BDEDLO Cc1noc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000594056358 397966322 /nfs/dbraw/zinc/96/63/22/397966322.db2.gz VLSDYOVYNGSWDX-ZJUUUORDSA-N 1 2 220.276 1.502 20 30 BDEDLO Cc1noc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000594056358 397966324 /nfs/dbraw/zinc/96/63/24/397966324.db2.gz VLSDYOVYNGSWDX-ZJUUUORDSA-N 1 2 220.276 1.502 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn2ccccc12 ZINC000271130668 397962741 /nfs/dbraw/zinc/96/27/41/397962741.db2.gz NYRVVUVKIPORPN-LLVKDONJSA-N 1 2 228.299 1.926 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn2ccccc12 ZINC000271130668 397962744 /nfs/dbraw/zinc/96/27/44/397962744.db2.gz NYRVVUVKIPORPN-LLVKDONJSA-N 1 2 228.299 1.926 20 30 BDEDLO C=C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649524268 397916642 /nfs/dbraw/zinc/91/66/42/397916642.db2.gz GBIKJPRONTZENZ-UHFFFAOYSA-N 1 2 217.316 1.981 20 30 BDEDLO COc1c(N)[nH+]cnc1N1CCC[C@H](CC#N)C1 ZINC000596325868 397999776 /nfs/dbraw/zinc/99/97/76/397999776.db2.gz OSERCGITNJQQNC-SECBINFHSA-N 1 2 247.302 1.197 20 30 BDEDLO COc1c(N)nc[nH+]c1N1CCC[C@H](CC#N)C1 ZINC000596325868 397999782 /nfs/dbraw/zinc/99/97/82/397999782.db2.gz OSERCGITNJQQNC-SECBINFHSA-N 1 2 247.302 1.197 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595302950 397987396 /nfs/dbraw/zinc/98/73/96/397987396.db2.gz XYMPZASUWHJCQB-FDYHWXHSSA-N 1 2 249.358 1.525 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595302950 397987397 /nfs/dbraw/zinc/98/73/97/397987397.db2.gz XYMPZASUWHJCQB-FDYHWXHSSA-N 1 2 249.358 1.525 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C1CC1 ZINC000491766902 398065946 /nfs/dbraw/zinc/06/59/46/398065946.db2.gz FNTKFSAZRRVAKH-UHFFFAOYSA-N 1 2 247.294 1.972 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C1CC1 ZINC000491766902 398065948 /nfs/dbraw/zinc/06/59/48/398065948.db2.gz FNTKFSAZRRVAKH-UHFFFAOYSA-N 1 2 247.294 1.972 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000192238710 398106737 /nfs/dbraw/zinc/10/67/37/398106737.db2.gz DEJGDIIXHMIKCO-CHWSQXEVSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000192238710 398106742 /nfs/dbraw/zinc/10/67/42/398106742.db2.gz DEJGDIIXHMIKCO-CHWSQXEVSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CCCNC(=O)Nc1cc[nH+]cc1C ZINC000271140603 166146032 /nfs/dbraw/zinc/14/60/32/166146032.db2.gz PZQIQHXYIPRXGA-UHFFFAOYSA-N 1 2 203.245 1.535 20 30 BDEDLO COCC#CC[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662359831 409672035 /nfs/dbraw/zinc/67/20/35/409672035.db2.gz NLAZMVCYPRYQHZ-ZYHUDNBSSA-N 1 2 247.285 1.381 20 30 BDEDLO COCC#CC[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662359831 409672043 /nfs/dbraw/zinc/67/20/43/409672043.db2.gz NLAZMVCYPRYQHZ-ZYHUDNBSSA-N 1 2 247.285 1.381 20 30 BDEDLO C=CCCOCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655401820 410205042 /nfs/dbraw/zinc/20/50/42/410205042.db2.gz IYEVQIIHKFQMCV-SECBINFHSA-N 1 2 223.276 1.180 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000266918561 166168615 /nfs/dbraw/zinc/16/86/15/166168615.db2.gz LECAESGUJPKSNR-CQSZACIVSA-N 1 2 244.338 1.771 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000266918561 166168617 /nfs/dbraw/zinc/16/86/17/166168617.db2.gz LECAESGUJPKSNR-CQSZACIVSA-N 1 2 244.338 1.771 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nc(CC)cc(=O)[nH]1 ZINC000268183353 166168907 /nfs/dbraw/zinc/16/89/07/166168907.db2.gz CZKVYBSRFWXFSK-UHFFFAOYSA-N 1 2 219.288 1.200 20 30 BDEDLO C#CC[N@H+](CC)Cc1nc(CC)cc(=O)[nH]1 ZINC000268183353 166168909 /nfs/dbraw/zinc/16/89/09/166168909.db2.gz CZKVYBSRFWXFSK-UHFFFAOYSA-N 1 2 219.288 1.200 20 30 BDEDLO C=CC[N@@H+](C)Cc1nccc(OC)c1OC ZINC000276393275 166322956 /nfs/dbraw/zinc/32/29/56/166322956.db2.gz IWOASFXQRGASRU-UHFFFAOYSA-N 1 2 222.288 1.717 20 30 BDEDLO C=CC[N@H+](C)Cc1nccc(OC)c1OC ZINC000276393275 166322957 /nfs/dbraw/zinc/32/29/57/166322957.db2.gz IWOASFXQRGASRU-UHFFFAOYSA-N 1 2 222.288 1.717 20 30 BDEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000189077309 166324208 /nfs/dbraw/zinc/32/42/08/166324208.db2.gz BAROSADVDSVBCX-UHFFFAOYSA-N 1 2 219.244 1.947 20 30 BDEDLO C=CC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000189077309 166324210 /nfs/dbraw/zinc/32/42/10/166324210.db2.gz BAROSADVDSVBCX-UHFFFAOYSA-N 1 2 219.244 1.947 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1scnc1C ZINC000066563500 166366839 /nfs/dbraw/zinc/36/68/39/166366839.db2.gz IXGAVBJMSPNMCJ-UHFFFAOYSA-N 1 2 239.344 1.186 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1scnc1C ZINC000066563500 166366840 /nfs/dbraw/zinc/36/68/40/166366840.db2.gz IXGAVBJMSPNMCJ-UHFFFAOYSA-N 1 2 239.344 1.186 20 30 BDEDLO C=CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000040295783 166374174 /nfs/dbraw/zinc/37/41/74/166374174.db2.gz KEOBRBLPQUUCOV-UHFFFAOYSA-N 1 2 229.283 1.647 20 30 BDEDLO C=CC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000661383460 410598624 /nfs/dbraw/zinc/59/86/24/410598624.db2.gz DBOWIYNNCGZFBX-JTQLQIEISA-N 1 2 206.293 1.593 20 30 BDEDLO C=CC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000661383460 410598628 /nfs/dbraw/zinc/59/86/28/410598628.db2.gz DBOWIYNNCGZFBX-JTQLQIEISA-N 1 2 206.293 1.593 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000661579661 410915481 /nfs/dbraw/zinc/91/54/81/410915481.db2.gz ZQIDORVRWOZNPK-ZIAGYGMSSA-N 1 2 236.359 1.195 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1nc[nH+]c(C)c1OC ZINC000656204847 411208726 /nfs/dbraw/zinc/20/87/26/411208726.db2.gz MLNPKLKHYOGOKQ-QWRGUYRKSA-N 1 2 249.314 1.797 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(N)c1 ZINC000491508386 411225255 /nfs/dbraw/zinc/22/52/55/411225255.db2.gz ZNEGDRSXWHNKNA-UHFFFAOYSA-N 1 2 213.284 1.122 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccnc(N)c1 ZINC000491508386 411225258 /nfs/dbraw/zinc/22/52/58/411225258.db2.gz ZNEGDRSXWHNKNA-UHFFFAOYSA-N 1 2 213.284 1.122 20 30 BDEDLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000361051606 168000337 /nfs/dbraw/zinc/00/03/37/168000337.db2.gz LRVAJMAYPSBAET-VIFPVBQESA-N 1 2 237.328 1.360 20 30 BDEDLO CC1(C)[C@@H](O)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000361051606 168000339 /nfs/dbraw/zinc/00/03/39/168000339.db2.gz LRVAJMAYPSBAET-VIFPVBQESA-N 1 2 237.328 1.360 20 30 BDEDLO C=CCCn1cc(C[N@H+](CC)CCOC)nn1 ZINC000653506147 411414743 /nfs/dbraw/zinc/41/47/43/411414743.db2.gz NBBNJMAQTKSPTL-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=CCCn1cc(C[N@@H+](CC)CCOC)nn1 ZINC000653506147 411414747 /nfs/dbraw/zinc/41/47/47/411414747.db2.gz NBBNJMAQTKSPTL-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000653609373 411439018 /nfs/dbraw/zinc/43/90/18/411439018.db2.gz JVHIJRBGVXLLQE-VIFPVBQESA-N 1 2 206.293 1.628 20 30 BDEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000653609373 411439022 /nfs/dbraw/zinc/43/90/22/411439022.db2.gz JVHIJRBGVXLLQE-VIFPVBQESA-N 1 2 206.293 1.628 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660680149 411616747 /nfs/dbraw/zinc/61/67/47/411616747.db2.gz BXIZZPRWDRNWBC-ZJUUUORDSA-N 1 2 236.319 1.745 20 30 BDEDLO C=CCCNC(=O)NCc1[nH+]ccn1CC ZINC000661261110 411744678 /nfs/dbraw/zinc/74/46/78/411744678.db2.gz BJOKIFBMFGJZLY-UHFFFAOYSA-N 1 2 222.292 1.278 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1nccc(N)n1 ZINC000491788905 411849962 /nfs/dbraw/zinc/84/99/62/411849962.db2.gz SZZODLGHMMJEKJ-SECBINFHSA-N 1 2 204.277 1.075 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1nccc(N)n1 ZINC000491788905 411849965 /nfs/dbraw/zinc/84/99/65/411849965.db2.gz SZZODLGHMMJEKJ-SECBINFHSA-N 1 2 204.277 1.075 20 30 BDEDLO C=CCOCCCNc1nc[nH+]c(N)c1OC ZINC000664385748 411936907 /nfs/dbraw/zinc/93/69/07/411936907.db2.gz ZGSHPUGQTXJJGQ-UHFFFAOYSA-N 1 2 238.291 1.072 20 30 BDEDLO C=CCOCCCNc1[nH+]cnc(N)c1OC ZINC000664385748 411936912 /nfs/dbraw/zinc/93/69/12/411936912.db2.gz ZGSHPUGQTXJJGQ-UHFFFAOYSA-N 1 2 238.291 1.072 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1csc([C@@H](C)OC)n1 ZINC000662166819 412016553 /nfs/dbraw/zinc/01/65/53/412016553.db2.gz HWKLMHPLQKHAQD-RKDXNWHRSA-N 1 2 242.344 1.487 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2nc(C#N)cs2)C[C@H]1O ZINC000356123888 171090394 /nfs/dbraw/zinc/09/03/94/171090394.db2.gz JBYLOGNIYIOXNV-PSASIEDQSA-N 1 2 237.328 1.217 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)C[C@H]1O ZINC000356123888 171090397 /nfs/dbraw/zinc/09/03/97/171090397.db2.gz JBYLOGNIYIOXNV-PSASIEDQSA-N 1 2 237.328 1.217 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662371314 412126958 /nfs/dbraw/zinc/12/69/58/412126958.db2.gz HUFKJXBOOFULES-ONGXEEELSA-N 1 2 235.274 1.279 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662371314 412126962 /nfs/dbraw/zinc/12/69/62/412126962.db2.gz HUFKJXBOOFULES-ONGXEEELSA-N 1 2 235.274 1.279 20 30 BDEDLO C=CCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000662627951 412247802 /nfs/dbraw/zinc/24/78/02/412247802.db2.gz MATYNEIUKQHJSW-NSHDSACASA-N 1 2 240.253 1.657 20 30 BDEDLO CCc1nnc(-n2cc[nH+]c2)c(C#N)c1CC ZINC000095965267 172044855 /nfs/dbraw/zinc/04/48/55/172044855.db2.gz HMUZWMQESRMRKZ-UHFFFAOYSA-N 1 2 227.271 1.659 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296168757 176017191 /nfs/dbraw/zinc/01/71/91/176017191.db2.gz KYGOTXWHMQLDRR-MNOVXSKESA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296168757 176017193 /nfs/dbraw/zinc/01/71/93/176017193.db2.gz KYGOTXWHMQLDRR-MNOVXSKESA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000092017591 176303151 /nfs/dbraw/zinc/30/31/51/176303151.db2.gz SVOPYRVMEBJSNE-NXEZZACHSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000092017591 176303153 /nfs/dbraw/zinc/30/31/53/176303153.db2.gz SVOPYRVMEBJSNE-NXEZZACHSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)[C@H]1C ZINC000293338705 177243621 /nfs/dbraw/zinc/24/36/21/177243621.db2.gz GXQSAAYLBXFAIH-IUCAKERBSA-N 1 2 249.339 1.898 20 30 BDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]1C ZINC000293338705 177243622 /nfs/dbraw/zinc/24/36/22/177243622.db2.gz GXQSAAYLBXFAIH-IUCAKERBSA-N 1 2 249.339 1.898 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191203315 177260227 /nfs/dbraw/zinc/26/02/27/177260227.db2.gz OUGPVRFOQLJAQU-JTQLQIEISA-N 1 2 219.288 1.117 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191203315 177260228 /nfs/dbraw/zinc/26/02/28/177260228.db2.gz OUGPVRFOQLJAQU-JTQLQIEISA-N 1 2 219.288 1.117 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168765 177274834 /nfs/dbraw/zinc/27/48/34/177274834.db2.gz KYGOTXWHMQLDRR-WDEREUQCSA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168765 177274836 /nfs/dbraw/zinc/27/48/36/177274836.db2.gz KYGOTXWHMQLDRR-WDEREUQCSA-N 1 2 243.310 1.440 20 30 BDEDLO COCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399516599 262837534 /nfs/dbraw/zinc/83/75/34/262837534.db2.gz OYYGIIONSWFGSG-UHFFFAOYSA-N 1 2 205.261 1.344 20 30 BDEDLO C=CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671711449 487703020 /nfs/dbraw/zinc/70/30/20/487703020.db2.gz BUCOMZCBDTYBHZ-YUMQZZPRSA-N 1 2 209.211 1.824 20 30 BDEDLO C=CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671711449 487703016 /nfs/dbraw/zinc/70/30/16/487703016.db2.gz BUCOMZCBDTYBHZ-YUMQZZPRSA-N 1 2 209.211 1.824 20 30 BDEDLO Cc1cc(N(C)CC[C@H](C)O)c(C#N)c[nH+]1 ZINC000398951021 267330999 /nfs/dbraw/zinc/33/09/99/267330999.db2.gz DJDVGPGPDASYQO-JTQLQIEISA-N 1 2 219.288 1.469 20 30 BDEDLO C=C(C)COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000759812825 585380670 /nfs/dbraw/zinc/38/06/70/585380670.db2.gz ZLISRBOSTGNILJ-SNVBAGLBSA-N 1 2 229.345 1.543 20 30 BDEDLO N#Cc1csc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000175887171 487790429 /nfs/dbraw/zinc/79/04/29/487790429.db2.gz BYBSYMXLWQCRHI-UHFFFAOYSA-N 1 2 246.295 1.315 20 30 BDEDLO C#CCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000796309761 586100374 /nfs/dbraw/zinc/10/03/74/586100374.db2.gz YPKRPDZRFDSHAD-DTWKUNHWSA-N 1 2 221.222 1.661 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851808557 588632246 /nfs/dbraw/zinc/63/22/46/588632246.db2.gz ITFQPAQUEBJDJT-NXEZZACHSA-N 1 2 212.293 1.372 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CC2(CCC2)CO1 ZINC000878174524 590514851 /nfs/dbraw/zinc/51/48/51/590514851.db2.gz CSKNLOPNGANDBJ-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1CC2(CCC2)CO1 ZINC000878174524 590514853 /nfs/dbraw/zinc/51/48/53/590514853.db2.gz CSKNLOPNGANDBJ-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000562640762 323026065 /nfs/dbraw/zinc/02/60/65/323026065.db2.gz RTDZCJLNTVCZGV-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000562640762 323026066 /nfs/dbraw/zinc/02/60/66/323026066.db2.gz RTDZCJLNTVCZGV-LLVKDONJSA-N 1 2 240.347 1.036 20 30 BDEDLO C[C@@H](CC(=O)NCC1(CC#N)CC1)n1cc[nH+]c1 ZINC000569814960 323041470 /nfs/dbraw/zinc/04/14/70/323041470.db2.gz MOLYFRCSRRIUED-NSHDSACASA-N 1 2 246.314 1.644 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563202986 323101590 /nfs/dbraw/zinc/10/15/90/323101590.db2.gz KCAPFEOBFRAKHR-WDEREUQCSA-N 1 2 246.314 1.254 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1C=CCCC1 ZINC000563220576 323104564 /nfs/dbraw/zinc/10/45/64/323104564.db2.gz RHUPTXDWHXCWTG-OCCSQVGLSA-N 1 2 249.358 1.693 20 30 BDEDLO C[C@@H](CC(F)F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571050398 323105502 /nfs/dbraw/zinc/10/55/02/323105502.db2.gz PIYNWAVIUHTQEJ-GZMMTYOYSA-N 1 2 247.289 1.238 20 30 BDEDLO C[C@@H](CC(F)F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000571050406 323105537 /nfs/dbraw/zinc/10/55/37/323105537.db2.gz PIYNWAVIUHTQEJ-KWQFWETISA-N 1 2 247.289 1.238 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000339764968 323120970 /nfs/dbraw/zinc/12/09/70/323120970.db2.gz WHMVDAZHHRYAEB-ZDUSSCGKSA-N 1 2 236.359 1.733 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000339764968 323120971 /nfs/dbraw/zinc/12/09/71/323120971.db2.gz WHMVDAZHHRYAEB-ZDUSSCGKSA-N 1 2 236.359 1.733 20 30 BDEDLO CN(C(=O)CCc1c[nH+]cn1C)C1(C#N)CCC1 ZINC000571107765 323135769 /nfs/dbraw/zinc/13/57/69/323135769.db2.gz CSAVMJYFBUNUEC-UHFFFAOYSA-N 1 2 246.314 1.257 20 30 BDEDLO Cc1c(C[N@H+](C)C[C@@H](C#N)CCC#N)cnn1C ZINC000571252286 323139139 /nfs/dbraw/zinc/13/91/39/323139139.db2.gz KLKPATKPOBHVEG-GFCCVEGCSA-N 1 2 245.330 1.604 20 30 BDEDLO Cc1c(C[N@@H+](C)C[C@@H](C#N)CCC#N)cnn1C ZINC000571252286 323139140 /nfs/dbraw/zinc/13/91/40/323139140.db2.gz KLKPATKPOBHVEG-GFCCVEGCSA-N 1 2 245.330 1.604 20 30 BDEDLO Cc1[nH+]c2ccccn2c1CN(C)CCC#N ZINC000160940806 323139565 /nfs/dbraw/zinc/13/95/65/323139565.db2.gz YYFPYPZHQLORLL-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO C=CCN(CC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000571254317 323139654 /nfs/dbraw/zinc/13/96/54/323139654.db2.gz FXYUVFVSEWWSQL-UHFFFAOYSA-N 1 2 247.220 1.460 20 30 BDEDLO N#CCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000274161244 323150962 /nfs/dbraw/zinc/15/09/62/323150962.db2.gz ZIOIBMSXZDFLQI-UHFFFAOYSA-N 1 2 244.298 1.212 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567051901 323169503 /nfs/dbraw/zinc/16/95/03/323169503.db2.gz DHHVANUODBWUCY-GFCCVEGCSA-N 1 2 247.342 1.918 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnc(N(C)C)s1 ZINC000308979387 323183131 /nfs/dbraw/zinc/18/31/31/323183131.db2.gz HQCFWJJRUFUUGI-MRVPVSSYSA-N 1 2 224.333 1.458 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C)n1C ZINC000052440643 323193290 /nfs/dbraw/zinc/19/32/90/323193290.db2.gz MKSZSVOBTQUQMK-UHFFFAOYSA-N 1 2 208.309 1.522 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1nnc(C)n1C ZINC000052440643 323193291 /nfs/dbraw/zinc/19/32/91/323193291.db2.gz MKSZSVOBTQUQMK-UHFFFAOYSA-N 1 2 208.309 1.522 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000134877644 325380857 /nfs/dbraw/zinc/38/08/57/325380857.db2.gz MZIRIAGHKQVFFO-ZDUSSCGKSA-N 1 2 235.331 1.981 20 30 BDEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)c2[nH+]ccn21 ZINC000556235501 325786353 /nfs/dbraw/zinc/78/63/53/325786353.db2.gz KWKHAJHNNPLJLG-GXSJLCMTSA-N 1 2 239.282 1.690 20 30 BDEDLO CCc1cc(C[NH2+]C[C@H](C#N)CCC#N)on1 ZINC000564853984 325817912 /nfs/dbraw/zinc/81/79/12/325817912.db2.gz IGGVIUOASSEEMJ-JTQLQIEISA-N 1 2 232.287 1.770 20 30 BDEDLO C=CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565068103 325853827 /nfs/dbraw/zinc/85/38/27/325853827.db2.gz ALROXBSRHCOLOI-MNOVXSKESA-N 1 2 221.304 1.915 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CCO)c1ccco1 ZINC000567048741 326103997 /nfs/dbraw/zinc/10/39/97/326103997.db2.gz PJKUWDBJVJKYFT-NWDGAFQWSA-N 1 2 247.298 1.736 20 30 BDEDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](CC)CC#N)n1 ZINC000567364273 326174900 /nfs/dbraw/zinc/17/49/00/326174900.db2.gz DQSTUGYJGCRXSU-VIFPVBQESA-N 1 2 234.303 1.526 20 30 BDEDLO C[C@H](CCC#N)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000567995609 326294013 /nfs/dbraw/zinc/29/40/13/326294013.db2.gz PWHXIDVJRBJQBS-SECBINFHSA-N 1 2 249.318 1.382 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000568518439 326362263 /nfs/dbraw/zinc/36/22/63/326362263.db2.gz CSSRCVJRXLMMQM-BFVZDQMLSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000568518439 326362265 /nfs/dbraw/zinc/36/22/65/326362265.db2.gz CSSRCVJRXLMMQM-BFVZDQMLSA-N 1 2 214.334 1.131 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1CCCC1 ZINC000568644347 326370569 /nfs/dbraw/zinc/37/05/69/326370569.db2.gz GIJWKLSBNBUUFS-JTQLQIEISA-N 1 2 223.320 1.327 20 30 BDEDLO CC(C)(C)c1nc(NCC#CCO)cc[nH+]1 ZINC000309666354 487999821 /nfs/dbraw/zinc/99/98/21/487999821.db2.gz HZDZBRRDHJLDNH-UHFFFAOYSA-N 1 2 219.288 1.182 20 30 BDEDLO CCC#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477638 488046421 /nfs/dbraw/zinc/04/64/21/488046421.db2.gz PJVFXTZKQPBQEE-JTQLQIEISA-N 1 2 249.314 1.655 20 30 BDEDLO CCC#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000677477638 488046427 /nfs/dbraw/zinc/04/64/27/488046427.db2.gz PJVFXTZKQPBQEE-JTQLQIEISA-N 1 2 249.314 1.655 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000611194867 488118615 /nfs/dbraw/zinc/11/86/15/488118615.db2.gz ZXFBASPTVNINKP-LBPRGKRZSA-N 1 2 239.315 1.052 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000611194867 488118618 /nfs/dbraw/zinc/11/86/18/488118618.db2.gz ZXFBASPTVNINKP-LBPRGKRZSA-N 1 2 239.315 1.052 20 30 BDEDLO C=C(CC)CNC(=O)NCc1c[nH+]cn1C ZINC000454993060 487498287 /nfs/dbraw/zinc/49/82/87/487498287.db2.gz LYIVISVBOMDWHM-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C=CCOCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000679515942 488356089 /nfs/dbraw/zinc/35/60/89/488356089.db2.gz NXLZVGLVHAERMP-UHFFFAOYSA-N 1 2 245.282 1.267 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000491641095 491079658 /nfs/dbraw/zinc/07/96/58/491079658.db2.gz ZXFHFWJPGOSOOS-NXEZZACHSA-N 1 2 248.153 1.904 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000491641095 491079659 /nfs/dbraw/zinc/07/96/59/491079659.db2.gz ZXFHFWJPGOSOOS-NXEZZACHSA-N 1 2 248.153 1.904 20 30 BDEDLO Cc1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)nc1 ZINC000595620717 491079455 /nfs/dbraw/zinc/07/94/55/491079455.db2.gz PERYTROASMEVPB-GFCCVEGCSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1cnc(C[N@H+]2CCC[C@H](CC#N)C2)nc1 ZINC000595620717 491079457 /nfs/dbraw/zinc/07/94/57/491079457.db2.gz PERYTROASMEVPB-GFCCVEGCSA-N 1 2 230.315 1.911 20 30 BDEDLO COC(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000496826383 534006795 /nfs/dbraw/zinc/00/67/95/534006795.db2.gz FYTNOBKRTMKQJI-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891716556 582713594 /nfs/dbraw/zinc/71/35/94/582713594.db2.gz SCTHKSIBBBRLMH-JTQLQIEISA-N 1 2 232.331 1.889 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891716556 582713595 /nfs/dbraw/zinc/71/35/95/582713595.db2.gz SCTHKSIBBBRLMH-JTQLQIEISA-N 1 2 232.331 1.889 20 30 BDEDLO C=CC[C@H](CO)CNc1cc[nH+]c2ccncc12 ZINC000340905523 534381790 /nfs/dbraw/zinc/38/17/90/534381790.db2.gz YXCULJMFBZSMLB-NSHDSACASA-N 1 2 243.310 1.648 20 30 BDEDLO C=C[C@@H](CO)[NH2+]Cc1csc(C2CC2)n1 ZINC000308935711 534541798 /nfs/dbraw/zinc/54/17/98/534541798.db2.gz OADZTLYWVXAXDM-VIFPVBQESA-N 1 2 224.329 1.657 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183706336 534806128 /nfs/dbraw/zinc/80/61/28/534806128.db2.gz VJSFFWUEJJFJRB-SRVKXCTJSA-N 1 2 243.347 1.491 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(F)cc(OC)c1 ZINC000491299233 526845979 /nfs/dbraw/zinc/84/59/79/526845979.db2.gz YYBVBVJTJTXWMH-UHFFFAOYSA-N 1 2 231.270 1.903 20 30 BDEDLO C#CCN(CC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491729688 526891448 /nfs/dbraw/zinc/89/14/48/526891448.db2.gz NWVPBJZJDXXQLZ-LLVKDONJSA-N 1 2 248.330 1.629 20 30 BDEDLO C=C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492758557 526893223 /nfs/dbraw/zinc/89/32/23/526893223.db2.gz APUZYJRUVDFFTK-IHWYPQMZSA-N 1 2 217.272 1.602 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cccnc1OC ZINC000491486949 526897255 /nfs/dbraw/zinc/89/72/55/526897255.db2.gz ZKUSAZIXLKGMQV-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO C#CC[N@H+](CC)Cc1cccnc1OC ZINC000491486949 526897258 /nfs/dbraw/zinc/89/72/58/526897258.db2.gz ZKUSAZIXLKGMQV-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO C#CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000490762559 526958051 /nfs/dbraw/zinc/95/80/51/526958051.db2.gz IESMGMDROGDURL-UHFFFAOYSA-N 1 2 237.306 1.864 20 30 BDEDLO C#CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000490762559 526958053 /nfs/dbraw/zinc/95/80/53/526958053.db2.gz IESMGMDROGDURL-UHFFFAOYSA-N 1 2 237.306 1.864 20 30 BDEDLO C#CCn1ccc(C[N@H+](CC)CCCC#N)n1 ZINC000491661189 527183280 /nfs/dbraw/zinc/18/32/80/527183280.db2.gz ARZIHFIRDYYDEZ-UHFFFAOYSA-N 1 2 230.315 1.642 20 30 BDEDLO C#CCn1ccc(C[N@@H+](CC)CCCC#N)n1 ZINC000491661189 527183285 /nfs/dbraw/zinc/18/32/85/527183285.db2.gz ARZIHFIRDYYDEZ-UHFFFAOYSA-N 1 2 230.315 1.642 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)no1 ZINC000306320211 527214969 /nfs/dbraw/zinc/21/49/69/527214969.db2.gz BROJRTGLJVAOSS-SSDOTTSWSA-N 1 2 243.104 1.891 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)no1 ZINC000306320211 527214976 /nfs/dbraw/zinc/21/49/76/527214976.db2.gz BROJRTGLJVAOSS-SSDOTTSWSA-N 1 2 243.104 1.891 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491630407 527329626 /nfs/dbraw/zinc/32/96/26/527329626.db2.gz QFTZNYHPYJUDBI-JTQLQIEISA-N 1 2 241.294 1.736 20 30 BDEDLO C=C[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000487309126 527557145 /nfs/dbraw/zinc/55/71/45/527557145.db2.gz VOFWLBHVFASXFG-NSHDSACASA-N 1 2 236.319 1.489 20 30 BDEDLO C=CCN(CC=C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493163804 527598597 /nfs/dbraw/zinc/59/85/97/527598597.db2.gz VYDSCFBNTAXAOL-WAYWQWQTSA-N 1 2 217.272 1.624 20 30 BDEDLO CC(C)N(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904063 528878945 /nfs/dbraw/zinc/87/89/45/528878945.db2.gz VPDWUVRJRHVOJA-PLNGDYQASA-N 1 2 232.287 1.574 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC000286336003 535319645 /nfs/dbraw/zinc/31/96/45/535319645.db2.gz LTXMTNWFMZWGGQ-VIFPVBQESA-N 1 2 220.276 1.007 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269628080 536300056 /nfs/dbraw/zinc/30/00/56/536300056.db2.gz DFQCUKXNOISRAF-GFCCVEGCSA-N 1 2 249.270 1.474 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269628080 536300058 /nfs/dbraw/zinc/30/00/58/536300058.db2.gz DFQCUKXNOISRAF-GFCCVEGCSA-N 1 2 249.270 1.474 20 30 BDEDLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309215210 536638887 /nfs/dbraw/zinc/63/88/87/536638887.db2.gz UHUXOAJKWUQEKJ-AEJSXWLSSA-N 1 2 210.277 1.220 20 30 BDEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)nc1 ZINC000893551772 583163014 /nfs/dbraw/zinc/16/30/14/583163014.db2.gz OLXNKKRXWGSJOW-UHFFFAOYSA-N 1 2 219.288 1.730 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000853293389 588731240 /nfs/dbraw/zinc/73/12/40/588731240.db2.gz ZTCRBAOLZCUXGB-UHFFFAOYSA-N 1 2 244.258 1.641 20 30 BDEDLO C[C@H](CC#N)NN=Cc1c[nH+]c2n1CCC2 ZINC000853324094 588732858 /nfs/dbraw/zinc/73/28/58/588732858.db2.gz UQXZDUGXJIDGON-SECBINFHSA-N 1 2 217.276 1.055 20 30 BDEDLO CC(C)OCCNN=Cc1c[nH+]c2n1CCC2 ZINC000853328868 588733469 /nfs/dbraw/zinc/73/34/69/588733469.db2.gz PRSJDXWIMIZKRM-UHFFFAOYSA-N 1 2 236.319 1.178 20 30 BDEDLO CCOCCON=Cc1c[nH+]c(C)n1C ZINC000853334697 588734382 /nfs/dbraw/zinc/73/43/82/588734382.db2.gz PDEOIKHYAFKSLS-UHFFFAOYSA-N 1 2 211.265 1.116 20 30 BDEDLO Cc1[nH+]cc(C=NOC2CCOCC2)n1C ZINC000853334546 588734384 /nfs/dbraw/zinc/73/43/84/588734384.db2.gz JRGWHOAVHMMOQI-UHFFFAOYSA-N 1 2 223.276 1.258 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@H]2CCSC2)n1C ZINC000853345522 588735722 /nfs/dbraw/zinc/73/57/22/588735722.db2.gz BQELBKJDZZFGJN-VIFPVBQESA-N 1 2 224.333 1.158 20 30 BDEDLO Cc1[nH+]cc(C=NOC/C=C/Cl)n1C ZINC000853346964 588736144 /nfs/dbraw/zinc/73/61/44/588736144.db2.gz CEXNNWFXEQFKHG-KJNQHJQGSA-N 1 2 213.668 1.832 20 30 BDEDLO CC1(C)OCC[C@@H]1NN=Cc1c[nH+]c2n1CCC2 ZINC000853355364 588737453 /nfs/dbraw/zinc/73/74/53/588737453.db2.gz CHFQCGYJMLVMHZ-NSHDSACASA-N 1 2 248.330 1.320 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853526597 588747832 /nfs/dbraw/zinc/74/78/32/588747832.db2.gz UQJGQBGWADEFOU-SNVBAGLBSA-N 1 2 249.274 1.374 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853526597 588747833 /nfs/dbraw/zinc/74/78/33/588747833.db2.gz UQJGQBGWADEFOU-SNVBAGLBSA-N 1 2 249.274 1.374 20 30 BDEDLO C#CCOCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000853675411 588755073 /nfs/dbraw/zinc/75/50/73/588755073.db2.gz UNVINRMXGGKUTR-LLVKDONJSA-N 1 2 242.319 1.196 20 30 BDEDLO C=CCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742091 588760863 /nfs/dbraw/zinc/76/08/63/588760863.db2.gz YTSVZJKXGRHARN-UHFFFAOYSA-N 1 2 228.292 1.257 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)C#CC(C)C ZINC000854632561 588798469 /nfs/dbraw/zinc/79/84/69/588798469.db2.gz CORZJHKVIKBUKP-UHFFFAOYSA-N 1 2 232.283 1.366 20 30 BDEDLO CC(C)(CC#N)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854909209 588816494 /nfs/dbraw/zinc/81/64/94/588816494.db2.gz TVZCNHIECRKYEM-UHFFFAOYSA-N 1 2 220.276 1.008 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000890550233 582472062 /nfs/dbraw/zinc/47/20/62/582472062.db2.gz IPJCZXISYFNYAA-RYUDHWBXSA-N 1 2 245.326 1.623 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000890553813 582473926 /nfs/dbraw/zinc/47/39/26/582473926.db2.gz BTPRUZDUWBGFHY-IJLUTSLNSA-N 1 2 245.326 1.701 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000890552894 582474480 /nfs/dbraw/zinc/47/44/80/582474480.db2.gz SLJFGLGCEZEYIL-NSHDSACASA-N 1 2 219.288 1.519 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000890552894 582474481 /nfs/dbraw/zinc/47/44/81/582474481.db2.gz SLJFGLGCEZEYIL-NSHDSACASA-N 1 2 219.288 1.519 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000890554861 582476760 /nfs/dbraw/zinc/47/67/60/582476760.db2.gz YMQKUCLQNMYIKS-NWDGAFQWSA-N 1 2 245.326 1.623 20 30 BDEDLO C=C1CCC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000890886223 582586500 /nfs/dbraw/zinc/58/65/00/582586500.db2.gz JRQYIXAXFXEJBH-AWEZNQCLSA-N 1 2 249.358 1.693 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000891266812 582647087 /nfs/dbraw/zinc/64/70/87/582647087.db2.gz VTJVUURCQGYAID-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000846546269 582656537 /nfs/dbraw/zinc/65/65/37/582656537.db2.gz AVUYVXLBMLDGIQ-VHSXEESVSA-N 1 2 235.287 1.068 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)cs1 ZINC000891490553 582693156 /nfs/dbraw/zinc/69/31/56/582693156.db2.gz XCNRXJHVDZJVGC-LLVKDONJSA-N 1 2 249.339 1.460 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cs1 ZINC000891490553 582693159 /nfs/dbraw/zinc/69/31/59/582693159.db2.gz XCNRXJHVDZJVGC-LLVKDONJSA-N 1 2 249.339 1.460 20 30 BDEDLO C[C@@H](C#N)CN(C)Cc1[nH+]ccn1C1CC1 ZINC000891716582 582713013 /nfs/dbraw/zinc/71/30/13/582713013.db2.gz SZJMPSHFPWJMHC-JTQLQIEISA-N 1 2 218.304 1.809 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnn(C2CCC2)c1 ZINC000892059128 582779083 /nfs/dbraw/zinc/77/90/83/582779083.db2.gz WGTQFWOPSIMJOH-UHFFFAOYSA-N 1 2 227.311 1.677 20 30 BDEDLO C=CCCONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000856027556 588855751 /nfs/dbraw/zinc/85/57/51/588855751.db2.gz QPKZWROCEYZXTN-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO C#CCCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892704273 582961412 /nfs/dbraw/zinc/96/14/12/582961412.db2.gz PUICHNQUSUSNLN-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO C#CCCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892704273 582961414 /nfs/dbraw/zinc/96/14/14/582961414.db2.gz PUICHNQUSUSNLN-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO C#CC[NH+](CC#C)CCc1nc(C(C)=O)c(C)[nH]1 ZINC000851793685 582968188 /nfs/dbraw/zinc/96/81/88/582968188.db2.gz HEAWPNXGCKWHKY-UHFFFAOYSA-N 1 2 243.310 1.032 20 30 BDEDLO C=C1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000892763119 582977692 /nfs/dbraw/zinc/97/76/92/582977692.db2.gz JIOLEPNZFPQJAN-UHFFFAOYSA-N 1 2 234.303 1.282 20 30 BDEDLO C=CCN(c1nc(N)[nH+]c(C2CC2)n1)C1CC1 ZINC000893095171 583048834 /nfs/dbraw/zinc/04/88/34/583048834.db2.gz HVNGJJDYGRKBFQ-UHFFFAOYSA-N 1 2 231.303 1.486 20 30 BDEDLO C[C@@]1(C#N)CCCN(c2cc[nH+]cc2CO)C1 ZINC000893141073 583056611 /nfs/dbraw/zinc/05/66/11/583056611.db2.gz LNVKJJUFBOJJET-ZDUSSCGKSA-N 1 2 231.299 1.704 20 30 BDEDLO C#CCn1cc(CNc2cc(CC)[nH+]cn2)cn1 ZINC000856747109 588875668 /nfs/dbraw/zinc/87/56/68/588875668.db2.gz IWGJOELGRIQGNY-UHFFFAOYSA-N 1 2 241.298 1.481 20 30 BDEDLO C=CC[C@H](CO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000893284688 583085829 /nfs/dbraw/zinc/08/58/29/583085829.db2.gz SHVNAYJJWNZLKW-QWRGUYRKSA-N 1 2 243.347 1.491 20 30 BDEDLO CCC[C@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000777061363 583129484 /nfs/dbraw/zinc/12/94/84/583129484.db2.gz DZUOJTHVTVKWDB-SNVBAGLBSA-N 1 2 242.282 1.756 20 30 BDEDLO N#CC1(CNc2nccn3c[nH+]cc23)CC1 ZINC000893650566 583187437 /nfs/dbraw/zinc/18/74/37/583187437.db2.gz CZHKXMOCAOBDJV-UHFFFAOYSA-N 1 2 213.244 1.445 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000893994315 583267800 /nfs/dbraw/zinc/26/78/00/583267800.db2.gz CVKCLLAHTJQRSV-VIFPVBQESA-N 1 2 246.266 1.977 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000893994315 583267803 /nfs/dbraw/zinc/26/78/03/583267803.db2.gz CVKCLLAHTJQRSV-VIFPVBQESA-N 1 2 246.266 1.977 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(=O)OC ZINC000877584076 583337391 /nfs/dbraw/zinc/33/73/91/583337391.db2.gz WVPVKGZIJVBWQK-MNOVXSKESA-N 1 2 239.315 1.099 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878705446 583395312 /nfs/dbraw/zinc/39/53/12/583395312.db2.gz XODYMMBJVNNORV-MQYQWHSLSA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878705446 583395315 /nfs/dbraw/zinc/39/53/15/583395315.db2.gz XODYMMBJVNNORV-MQYQWHSLSA-N 1 2 235.327 1.278 20 30 BDEDLO CN(C)c1cc(N[C@@H]2CC[C@H](C#N)C2)[nH+]cn1 ZINC000894274143 583404702 /nfs/dbraw/zinc/40/47/02/583404702.db2.gz ZIMNFIFCMXEAJV-VHSXEESVSA-N 1 2 231.303 1.647 20 30 BDEDLO CN(C)c1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000894274143 583404704 /nfs/dbraw/zinc/40/47/04/583404704.db2.gz ZIMNFIFCMXEAJV-VHSXEESVSA-N 1 2 231.303 1.647 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894384726 583442830 /nfs/dbraw/zinc/44/28/30/583442830.db2.gz SYBNTAQSBWFYMC-QMMMGPOBSA-N 1 2 209.318 1.773 20 30 BDEDLO C#CCC(CC#C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000857303782 588905183 /nfs/dbraw/zinc/90/51/83/588905183.db2.gz ZVCBUZRIAMNBNO-UHFFFAOYSA-N 1 2 229.283 1.031 20 30 BDEDLO C#CCC(CC#C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000857303782 588905184 /nfs/dbraw/zinc/90/51/84/588905184.db2.gz ZVCBUZRIAMNBNO-UHFFFAOYSA-N 1 2 229.283 1.031 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CCC#N)cs1 ZINC000894581220 583488428 /nfs/dbraw/zinc/48/84/28/583488428.db2.gz ZBVVCOIPDJXZGX-UHFFFAOYSA-N 1 2 224.285 1.538 20 30 BDEDLO CCc1[nH]c(C[NH2+]CCC#N)cc1C(=O)OC ZINC000894580284 583488521 /nfs/dbraw/zinc/48/85/21/583488521.db2.gz UGADQALYZKCSRG-UHFFFAOYSA-N 1 2 235.287 1.367 20 30 BDEDLO Cc1cc(N)nc(N2CC[C@@](C)(C#N)C2)[nH+]1 ZINC000894609310 583492308 /nfs/dbraw/zinc/49/23/08/583492308.db2.gz CUYSYVMXYYLSQH-NSHDSACASA-N 1 2 217.276 1.107 20 30 BDEDLO N#CC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000140814526 583527764 /nfs/dbraw/zinc/52/77/64/583527764.db2.gz CIVRSNYKURHOPW-UHFFFAOYSA-N 1 2 234.328 1.806 20 30 BDEDLO COC(=O)C1(C)C[NH+](CC#Cc2ccccc2)C1 ZINC000895019347 583569555 /nfs/dbraw/zinc/56/95/55/583569555.db2.gz ZTSJRAAWGKXIKW-UHFFFAOYSA-N 1 2 243.306 1.533 20 30 BDEDLO CC(C)N(CCC#N)Cc1c[nH+]cn1C ZINC000308731182 583584635 /nfs/dbraw/zinc/58/46/35/583584635.db2.gz VEANWQMQBZPLKP-UHFFFAOYSA-N 1 2 206.293 1.544 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000895171808 583612642 /nfs/dbraw/zinc/61/26/42/583612642.db2.gz HWWOOXNWYIPJMS-VIFPVBQESA-N 1 2 222.292 1.257 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000895171808 583612644 /nfs/dbraw/zinc/61/26/44/583612644.db2.gz HWWOOXNWYIPJMS-VIFPVBQESA-N 1 2 222.292 1.257 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000895172470 583613049 /nfs/dbraw/zinc/61/30/49/583613049.db2.gz OPOLNVSOQYAQFE-VIFPVBQESA-N 1 2 249.318 1.070 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000895172470 583613050 /nfs/dbraw/zinc/61/30/50/583613050.db2.gz OPOLNVSOQYAQFE-VIFPVBQESA-N 1 2 249.318 1.070 20 30 BDEDLO Cc1n[nH]c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000895334944 583652785 /nfs/dbraw/zinc/65/27/85/583652785.db2.gz LYAQMRAGSVMRRF-LBPRGKRZSA-N 1 2 218.304 1.762 20 30 BDEDLO Cc1n[nH]c(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000895334944 583652786 /nfs/dbraw/zinc/65/27/86/583652786.db2.gz LYAQMRAGSVMRRF-LBPRGKRZSA-N 1 2 218.304 1.762 20 30 BDEDLO CCn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000895451102 583676273 /nfs/dbraw/zinc/67/62/73/583676273.db2.gz TYDXXJMUJQBKGN-ZDUSSCGKSA-N 1 2 232.331 1.947 20 30 BDEDLO CCn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000895451102 583676275 /nfs/dbraw/zinc/67/62/75/583676275.db2.gz TYDXXJMUJQBKGN-ZDUSSCGKSA-N 1 2 232.331 1.947 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886004 588920956 /nfs/dbraw/zinc/92/09/56/588920956.db2.gz RPQGGKNDQXCDOA-QMMMGPOBSA-N 1 2 241.241 1.135 20 30 BDEDLO C#CC1(F)CN(Cc2c[nH+]cn2C(C)C)C1 ZINC000895616886 583697200 /nfs/dbraw/zinc/69/72/00/583697200.db2.gz ROPYFIVMYYFHLW-UHFFFAOYSA-N 1 2 221.279 1.621 20 30 BDEDLO Cc1cc(N)nc(N2CCC[C@@H](C#N)C2)[nH+]1 ZINC000895648628 583699246 /nfs/dbraw/zinc/69/92/46/583699246.db2.gz QGHWHMRNEDZBNV-VIFPVBQESA-N 1 2 217.276 1.107 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857945313 588924965 /nfs/dbraw/zinc/92/49/65/588924965.db2.gz CUHGWAHNUKMSBE-NSHDSACASA-N 1 2 245.326 1.364 20 30 BDEDLO C#CC1(F)CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000896013479 583762570 /nfs/dbraw/zinc/76/25/70/583762570.db2.gz ZMFSHBYOPQHVIM-UHFFFAOYSA-N 1 2 219.263 1.375 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000727779749 583769837 /nfs/dbraw/zinc/76/98/37/583769837.db2.gz SXPFKJFBSRUHAH-VIFPVBQESA-N 1 2 233.271 1.222 20 30 BDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)o2)[nH+]c1C ZINC000896909139 583852446 /nfs/dbraw/zinc/85/24/46/583852446.db2.gz BWIJUCHASXEVNC-UHFFFAOYSA-N 1 2 244.254 1.421 20 30 BDEDLO Cc1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(C#N)c[nH+]1 ZINC000897072285 583877703 /nfs/dbraw/zinc/87/77/03/583877703.db2.gz IYXSVFIRPHNCJK-UVHGVLLISA-N 1 2 241.294 1.271 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccnn1CCC ZINC000897168836 583888316 /nfs/dbraw/zinc/88/83/16/583888316.db2.gz HHGPVKFKQVCAQI-UHFFFAOYSA-N 1 2 205.305 1.748 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccnn1CCC ZINC000897168836 583888318 /nfs/dbraw/zinc/88/83/18/583888318.db2.gz HHGPVKFKQVCAQI-UHFFFAOYSA-N 1 2 205.305 1.748 20 30 BDEDLO C=CCN(C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000728753881 583906218 /nfs/dbraw/zinc/90/62/18/583906218.db2.gz YNIAGWSDXBOFIA-UHFFFAOYSA-N 1 2 236.319 1.526 20 30 BDEDLO C#CCSCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000897415554 583961257 /nfs/dbraw/zinc/96/12/57/583961257.db2.gz ASNCLJVKVOYELP-SECBINFHSA-N 1 2 237.328 1.343 20 30 BDEDLO C#CC[C@H](CCOC)[NH2+]Cc1cn[nH]c1C ZINC000858334370 588946785 /nfs/dbraw/zinc/94/67/85/588946785.db2.gz VGDCFIURLWZSGB-GFCCVEGCSA-N 1 2 221.304 1.236 20 30 BDEDLO C[C@@]1(C#N)C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000897586238 584021834 /nfs/dbraw/zinc/02/18/34/584021834.db2.gz JGURZJHXUNMQRA-WDEREUQCSA-N 1 2 226.345 1.354 20 30 BDEDLO C[C@@]1(C#N)C[N@@H+](C[C@@H]2CCSC2)CCO1 ZINC000897586238 584021836 /nfs/dbraw/zinc/02/18/36/584021836.db2.gz JGURZJHXUNMQRA-WDEREUQCSA-N 1 2 226.345 1.354 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898193692 584096269 /nfs/dbraw/zinc/09/62/69/584096269.db2.gz RJAMDCJRSFOFIB-WDEREUQCSA-N 1 2 240.303 1.524 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898193692 584096270 /nfs/dbraw/zinc/09/62/70/584096270.db2.gz RJAMDCJRSFOFIB-WDEREUQCSA-N 1 2 240.303 1.524 20 30 BDEDLO C=CC1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898629916 584146823 /nfs/dbraw/zinc/14/68/23/584146823.db2.gz XIPYAIFODJSSRQ-UHFFFAOYSA-N 1 2 248.330 1.528 20 30 BDEDLO O=C1C[C@@H](CC/[NH+]=C/c2cccc(O)c2O)CN1 ZINC000899225385 584184359 /nfs/dbraw/zinc/18/43/59/584184359.db2.gz ABPYSRPRDAEFSW-MBBDXHFBSA-N 1 2 248.282 1.043 20 30 BDEDLO C#CC[C@H]1C(=O)N(CCCn2cc[nH+]c2)N=C1C ZINC000899356652 584202332 /nfs/dbraw/zinc/20/23/32/584202332.db2.gz OVIUELBNTKPDOR-GFCCVEGCSA-N 1 2 244.298 1.131 20 30 BDEDLO C=C1C[NH+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000899899867 584248101 /nfs/dbraw/zinc/24/81/01/584248101.db2.gz CTCDBTNEJYDEKB-ZDUSSCGKSA-N 1 2 203.285 1.900 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000899900226 584248530 /nfs/dbraw/zinc/24/85/30/584248530.db2.gz MIMKKAWULMRTOZ-ZDUSSCGKSA-N 1 2 244.294 1.170 20 30 BDEDLO C=C1C[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000899900147 584248683 /nfs/dbraw/zinc/24/86/83/584248683.db2.gz JMKCELVMJIYMDE-LBPRGKRZSA-N 1 2 207.248 1.731 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2ccccc2F)C1 ZINC000899901394 584250219 /nfs/dbraw/zinc/25/02/19/584250219.db2.gz JYMHANFLNZXEHO-LLVKDONJSA-N 1 2 237.274 1.437 20 30 BDEDLO C=CCN(CC=C)C(=O)Cc1c[nH+]c[nH]1 ZINC000899914617 584254441 /nfs/dbraw/zinc/25/44/41/584254441.db2.gz BMADBDPIRKVWQG-UHFFFAOYSA-N 1 2 205.261 1.153 20 30 BDEDLO CC(=[NH+]N1CCCC[C@@H]1C)c1c[nH]c(N)n1 ZINC000901262116 584417149 /nfs/dbraw/zinc/41/71/49/584417149.db2.gz UMSDHLRTYXPSGH-QMMMGPOBSA-N 1 2 221.308 1.590 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CCSC1 ZINC000901331474 584425000 /nfs/dbraw/zinc/42/50/00/584425000.db2.gz PJTNCQOTZNMSSB-VIFPVBQESA-N 1 2 236.344 1.744 20 30 BDEDLO C#CCCOC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000858903840 588984140 /nfs/dbraw/zinc/98/41/40/588984140.db2.gz ZVEGUFGFGAAZHP-SNVBAGLBSA-N 1 2 221.260 1.021 20 30 BDEDLO C/N=C1/NC(=O)/C(=C/c2cn(C3CC3)c[nH+]2)S1 ZINC000901541743 584461171 /nfs/dbraw/zinc/46/11/71/584461171.db2.gz YGGPGKQSIDDQIS-WTKPLQERSA-N 1 2 248.311 1.408 20 30 BDEDLO CCCn1cc(C(=O)/C=C\c2cn(C)c[nH+]2)nn1 ZINC000901582343 584467464 /nfs/dbraw/zinc/46/74/64/584467464.db2.gz RSRQALUBAYGRGC-PLNGDYQASA-N 1 2 245.286 1.318 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H](COC)C(C)C)C(=O)OC ZINC000901622160 584469999 /nfs/dbraw/zinc/46/99/99/584469999.db2.gz ASJQGAFMEFMLIL-WDEREUQCSA-N 1 2 229.320 1.222 20 30 BDEDLO C#CCCOC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000859101680 589002053 /nfs/dbraw/zinc/00/20/53/589002053.db2.gz QQEAFHZIEJIYFP-SNVBAGLBSA-N 1 2 233.271 1.707 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902994573 584712537 /nfs/dbraw/zinc/71/25/37/584712537.db2.gz FMJRQVHUCXNTEN-WDEREUQCSA-N 1 2 226.295 1.207 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902994573 584712538 /nfs/dbraw/zinc/71/25/38/584712538.db2.gz FMJRQVHUCXNTEN-WDEREUQCSA-N 1 2 226.295 1.207 20 30 BDEDLO Cc1cc([C@H](C)[NH2+]CC2(C#N)CC2)nn1C ZINC000903106022 584728153 /nfs/dbraw/zinc/72/81/53/584728153.db2.gz LHCJSTIGLHYAOY-JTQLQIEISA-N 1 2 218.304 1.683 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccnc(F)c1 ZINC000859163420 589012178 /nfs/dbraw/zinc/01/21/78/589012178.db2.gz LFIVXXLZPVQZNY-SECBINFHSA-N 1 2 207.252 1.955 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccnc(F)c1 ZINC000859163420 589012180 /nfs/dbraw/zinc/01/21/80/589012180.db2.gz LFIVXXLZPVQZNY-SECBINFHSA-N 1 2 207.252 1.955 20 30 BDEDLO C#CCCOC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000859173125 589013383 /nfs/dbraw/zinc/01/33/83/589013383.db2.gz NZDYVVRTAYXDCO-SECBINFHSA-N 1 2 219.244 1.077 20 30 BDEDLO C#CCCOC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000859180971 589015211 /nfs/dbraw/zinc/01/52/11/589015211.db2.gz UERJHXZYJHOBAL-JTQLQIEISA-N 1 2 235.287 1.714 20 30 BDEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000829974988 584908018 /nfs/dbraw/zinc/90/80/18/584908018.db2.gz MYCFIEYCYNDNBL-ZDUSSCGKSA-N 1 2 249.314 1.648 20 30 BDEDLO CC(C)c1cnc(C[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000829974988 584908019 /nfs/dbraw/zinc/90/80/19/584908019.db2.gz MYCFIEYCYNDNBL-ZDUSSCGKSA-N 1 2 249.314 1.648 20 30 BDEDLO Cc1nn(C)c(C)c1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731158665 584923078 /nfs/dbraw/zinc/92/30/78/584923078.db2.gz GCZGQFASADTZAP-SNAWJCMRSA-N 1 2 230.271 1.656 20 30 BDEDLO C#C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000820401028 585013053 /nfs/dbraw/zinc/01/30/53/585013053.db2.gz UTHMERKVZWJJGG-LPEHRKFASA-N 1 2 232.287 1.210 20 30 BDEDLO C(=NOC1CCOCC1)c1cccc2[nH+]ccn21 ZINC000774438396 585030888 /nfs/dbraw/zinc/03/08/88/585030888.db2.gz QLYBWRGBPIXJIW-UHFFFAOYSA-N 1 2 245.282 1.864 20 30 BDEDLO C=C(C)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000180421920 585032981 /nfs/dbraw/zinc/03/29/81/585032981.db2.gz SDDILGJBLPBRTJ-UHFFFAOYSA-N 1 2 229.283 1.982 20 30 BDEDLO N#CC[N@@H+](CCC(=O)N1CCCC1)C1CCCC1 ZINC000838851962 585074766 /nfs/dbraw/zinc/07/47/66/585074766.db2.gz UTJIFXDLYBCHTF-UHFFFAOYSA-N 1 2 249.358 1.767 20 30 BDEDLO N#CC[N@H+](CCC(=O)N1CCCC1)C1CCCC1 ZINC000838851962 585074767 /nfs/dbraw/zinc/07/47/67/585074767.db2.gz UTJIFXDLYBCHTF-UHFFFAOYSA-N 1 2 249.358 1.767 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C(=O)OC ZINC000839167617 585095316 /nfs/dbraw/zinc/09/53/16/585095316.db2.gz GYIBMKABXIZRNW-GHMZBOCLSA-N 1 2 225.332 1.966 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCC(C)C)C(=O)OC ZINC000839167482 585095360 /nfs/dbraw/zinc/09/53/60/585095360.db2.gz FCZSGTWGCBOIFF-NEPJUHHUSA-N 1 2 225.332 1.966 20 30 BDEDLO C#CC[C@@H]([NH2+]CC1(C)CCC1)C(=O)OC ZINC000839168674 585095651 /nfs/dbraw/zinc/09/56/51/585095651.db2.gz MTMTXVHNIHJJBE-SNVBAGLBSA-N 1 2 209.289 1.331 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CC1CC1)C(=O)OC ZINC000839168609 585095712 /nfs/dbraw/zinc/09/57/12/585095712.db2.gz LOSJUYMAGFVDDI-ONGXEEELSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)Cc1ccoc1)C(=O)OC ZINC000839167960 585095831 /nfs/dbraw/zinc/09/58/31/585095831.db2.gz IQOHQVJHBRXLES-ZYHUDNBSSA-N 1 2 235.283 1.365 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CC(C)C)C(=O)OC ZINC000839169501 585095982 /nfs/dbraw/zinc/09/59/82/585095982.db2.gz SRSBLNQANUTRRE-MNOVXSKESA-N 1 2 211.305 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C(=O)OC ZINC000839170120 585096094 /nfs/dbraw/zinc/09/60/94/585096094.db2.gz XNQQBXKWZBCVNT-VWYCJHECSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H](C)CC=C)C(=O)OC ZINC000839170146 585096193 /nfs/dbraw/zinc/09/61/93/585096193.db2.gz YFGDUTLEKPNJLF-TUAOUCFPSA-N 1 2 223.316 1.742 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(OC)c1O ZINC000839186217 585096791 /nfs/dbraw/zinc/09/67/91/585096791.db2.gz BTRDUPLTLAPKIV-LBPRGKRZSA-N 1 2 247.294 1.235 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(OC)c1O ZINC000839186217 585096792 /nfs/dbraw/zinc/09/67/92/585096792.db2.gz BTRDUPLTLAPKIV-LBPRGKRZSA-N 1 2 247.294 1.235 20 30 BDEDLO C#CCCCNC(=O)CCCn1cc[nH+]c1 ZINC000742789017 585131576 /nfs/dbraw/zinc/13/15/76/585131576.db2.gz NPSMOJCFKOWLMU-UHFFFAOYSA-N 1 2 219.288 1.193 20 30 BDEDLO C=CC[N@H+](Cn1ccsc1=O)C(C)C ZINC000746603553 585170995 /nfs/dbraw/zinc/17/09/95/585170995.db2.gz QKQIABDMUFLAQT-UHFFFAOYSA-N 1 2 212.318 1.764 20 30 BDEDLO C=CC[N@@H+](Cn1ccsc1=O)C(C)C ZINC000746603553 585170996 /nfs/dbraw/zinc/17/09/96/585170996.db2.gz QKQIABDMUFLAQT-UHFFFAOYSA-N 1 2 212.318 1.764 20 30 BDEDLO Cc1ccc(NC(=O)[C@@H](C)C#N)c(N(C)C)[nH+]1 ZINC000750530728 585217054 /nfs/dbraw/zinc/21/70/54/585217054.db2.gz OUSSVLYRKQCVSP-QMMMGPOBSA-N 1 2 232.287 1.554 20 30 BDEDLO C#C[C@@H](CC)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000752940675 585251492 /nfs/dbraw/zinc/25/14/92/585251492.db2.gz NLQOKMIKZPYJTP-JTQLQIEISA-N 1 2 247.346 1.885 20 30 BDEDLO C#C[C@@H](CC)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000752940675 585251493 /nfs/dbraw/zinc/25/14/93/585251493.db2.gz NLQOKMIKZPYJTP-JTQLQIEISA-N 1 2 247.346 1.885 20 30 BDEDLO CCC(=O)CC[N@@H+](CCC#N)CCOC ZINC000753734105 585267403 /nfs/dbraw/zinc/26/74/03/585267403.db2.gz SBUMCYUIHFKJCJ-UHFFFAOYSA-N 1 2 212.293 1.218 20 30 BDEDLO CCC(=O)CC[N@H+](CCC#N)CCOC ZINC000753734105 585267404 /nfs/dbraw/zinc/26/74/04/585267404.db2.gz SBUMCYUIHFKJCJ-UHFFFAOYSA-N 1 2 212.293 1.218 20 30 BDEDLO COCC#CC[N@H+](C)Cc1c(C)noc1C ZINC000753864086 585271363 /nfs/dbraw/zinc/27/13/63/585271363.db2.gz ZNXOGPBUXYMMPE-UHFFFAOYSA-N 1 2 222.288 1.373 20 30 BDEDLO COCC#CC[N@@H+](C)Cc1c(C)noc1C ZINC000753864086 585271364 /nfs/dbraw/zinc/27/13/64/585271364.db2.gz ZNXOGPBUXYMMPE-UHFFFAOYSA-N 1 2 222.288 1.373 20 30 BDEDLO C#C[C@@H](CC)NC(=O)CCCn1cc[nH+]c1 ZINC000754389356 585283785 /nfs/dbraw/zinc/28/37/85/585283785.db2.gz BAXIBCAMPKONJD-NSHDSACASA-N 1 2 219.288 1.191 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1oc(C)nc1C#N ZINC000755660583 585303846 /nfs/dbraw/zinc/30/38/46/585303846.db2.gz GZVRHIVUGWMZBG-UHFFFAOYSA-N 1 2 244.258 1.517 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(F)F ZINC000756257846 585316606 /nfs/dbraw/zinc/31/66/06/585316606.db2.gz OOPHCALPFFTIHA-JTQLQIEISA-N 1 2 244.285 1.198 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(F)F ZINC000756257846 585316607 /nfs/dbraw/zinc/31/66/07/585316607.db2.gz OOPHCALPFFTIHA-JTQLQIEISA-N 1 2 244.285 1.198 20 30 BDEDLO C#CCCCC(=O)NCCNc1cccc[nH+]1 ZINC000760789005 585397085 /nfs/dbraw/zinc/39/70/85/585397085.db2.gz ZIDUWENIIBOGHT-UHFFFAOYSA-N 1 2 231.299 1.413 20 30 BDEDLO CC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854297 585420567 /nfs/dbraw/zinc/42/05/67/585420567.db2.gz CLLZIFOIWZDGJP-UHFFFAOYSA-N 1 2 216.248 1.470 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739394 585453259 /nfs/dbraw/zinc/45/32/59/585453259.db2.gz VNJWVEGHTKOUJE-PWSUYJOCSA-N 1 2 248.326 1.706 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739394 585453260 /nfs/dbraw/zinc/45/32/60/585453260.db2.gz VNJWVEGHTKOUJE-PWSUYJOCSA-N 1 2 248.326 1.706 20 30 BDEDLO CC#CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000764462176 585465830 /nfs/dbraw/zinc/46/58/30/585465830.db2.gz QMHMEHPJXAIEAC-UHFFFAOYSA-N 1 2 232.283 1.347 20 30 BDEDLO CC(C)C[N@H+](CCC#N)Cc1cn[nH]c1 ZINC000768153825 585533271 /nfs/dbraw/zinc/53/32/71/585533271.db2.gz LNPKRBUBIADFML-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)Cc1cn[nH]c1 ZINC000768153825 585533272 /nfs/dbraw/zinc/53/32/72/585533272.db2.gz LNPKRBUBIADFML-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000769977510 585568170 /nfs/dbraw/zinc/56/81/70/585568170.db2.gz GYPPJMOSOPCQTB-JTQLQIEISA-N 1 2 218.300 1.768 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000769977510 585568171 /nfs/dbraw/zinc/56/81/71/585568171.db2.gz GYPPJMOSOPCQTB-JTQLQIEISA-N 1 2 218.300 1.768 20 30 BDEDLO COCC[N@H+](CCC#N)Cc1ccccc1O ZINC000770510799 585575335 /nfs/dbraw/zinc/57/53/35/585575335.db2.gz QNOKNABYMHMVJH-UHFFFAOYSA-N 1 2 234.299 1.754 20 30 BDEDLO C#Cc1ccc(C(=O)OCCn2cc[nH+]c2)nc1 ZINC000771949986 585605371 /nfs/dbraw/zinc/60/53/71/585605371.db2.gz KXDYTMWQGRCWCL-UHFFFAOYSA-N 1 2 241.250 1.116 20 30 BDEDLO O=C(C#Cc1ccccc1)OCCn1cc[nH+]c1 ZINC000773453043 585637090 /nfs/dbraw/zinc/63/70/90/585637090.db2.gz LERUVECYBRWTLM-UHFFFAOYSA-N 1 2 240.262 1.478 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774154731 585652092 /nfs/dbraw/zinc/65/20/92/585652092.db2.gz BGNVZONBSVQQHU-VHSXEESVSA-N 1 2 210.277 1.316 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000774154731 585652093 /nfs/dbraw/zinc/65/20/93/585652093.db2.gz BGNVZONBSVQQHU-VHSXEESVSA-N 1 2 210.277 1.316 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000776853754 585706179 /nfs/dbraw/zinc/70/61/79/585706179.db2.gz KAUFJTNJRUKCLP-SECBINFHSA-N 1 2 232.755 1.974 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000776853754 585706180 /nfs/dbraw/zinc/70/61/80/585706180.db2.gz KAUFJTNJRUKCLP-SECBINFHSA-N 1 2 232.755 1.974 20 30 BDEDLO O=C1NCCCN1N=Cc1cccc2[nH+]ccn21 ZINC000777898911 585723076 /nfs/dbraw/zinc/72/30/76/585723076.db2.gz SBUQATWFHCOOFJ-UHFFFAOYSA-N 1 2 243.270 1.084 20 30 BDEDLO Cn1ccc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000778589785 585737602 /nfs/dbraw/zinc/73/76/02/585737602.db2.gz SECXFJJEPJCATN-UHFFFAOYSA-N 1 2 248.261 1.396 20 30 BDEDLO CCn1ccnc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555193 585781170 /nfs/dbraw/zinc/78/11/70/585781170.db2.gz PGCVHBYCURZBNW-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO CC[C@H](C#N)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000781179280 585792213 /nfs/dbraw/zinc/79/22/13/585792213.db2.gz SUUBUKYBYSEBTE-SNVBAGLBSA-N 1 2 229.239 1.793 20 30 BDEDLO CCOCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000782313978 585814751 /nfs/dbraw/zinc/81/47/51/585814751.db2.gz PAAMKAJBJRADFP-UHFFFAOYSA-N 1 2 226.251 1.499 20 30 BDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(C)(C)C#N ZINC000782580601 585820513 /nfs/dbraw/zinc/82/05/13/585820513.db2.gz MVQFDACPNROKRG-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(C)(C)C#N ZINC000782580601 585820514 /nfs/dbraw/zinc/82/05/14/585820514.db2.gz MVQFDACPNROKRG-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782615970 585822554 /nfs/dbraw/zinc/82/25/54/585822554.db2.gz HJHXFXBUPHWNGF-GXTWGEPZSA-N 1 2 246.285 1.512 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782615970 585822555 /nfs/dbraw/zinc/82/25/55/585822555.db2.gz HJHXFXBUPHWNGF-GXTWGEPZSA-N 1 2 246.285 1.512 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000784381842 585858002 /nfs/dbraw/zinc/85/80/02/585858002.db2.gz NZUHVGYVPJOMOS-LBPRGKRZSA-N 1 2 240.322 1.148 20 30 BDEDLO C=CCC[N@@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000786100835 585887060 /nfs/dbraw/zinc/88/70/60/585887060.db2.gz AZQMUWKBMUDQTG-UHFFFAOYSA-N 1 2 245.326 1.805 20 30 BDEDLO C=CCC[N@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000786100835 585887061 /nfs/dbraw/zinc/88/70/61/585887061.db2.gz AZQMUWKBMUDQTG-UHFFFAOYSA-N 1 2 245.326 1.805 20 30 BDEDLO CC#CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000788291895 585921345 /nfs/dbraw/zinc/92/13/45/585921345.db2.gz WGUHUWJQHGTFBC-UHFFFAOYSA-N 1 2 227.267 1.282 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cnn(C)c1C ZINC000790300256 585962773 /nfs/dbraw/zinc/96/27/73/585962773.db2.gz QCUBJDFYPBTBPG-UHFFFAOYSA-N 1 2 232.291 1.298 20 30 BDEDLO CCCn1cc(C=NNc2[nH+]ccn2C)cn1 ZINC000790302671 585962911 /nfs/dbraw/zinc/96/29/11/585962911.db2.gz WSWIELFXCRDQPW-UHFFFAOYSA-N 1 2 232.291 1.473 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)CCCCCC#N ZINC000805922448 585964451 /nfs/dbraw/zinc/96/44/51/585964451.db2.gz CYYOKMYUXRZIHY-UHFFFAOYSA-N 1 2 249.314 1.980 20 30 BDEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000792470811 586001042 /nfs/dbraw/zinc/00/10/42/586001042.db2.gz OUIXGQSJCJEWMU-ZJUUUORDSA-N 1 2 233.319 1.461 20 30 BDEDLO CC(C)n1nccc1C=NNc1[nH+]ccn1C ZINC000794542051 586043003 /nfs/dbraw/zinc/04/30/03/586043003.db2.gz ZWRYNWCRRDIHJP-UHFFFAOYSA-N 1 2 232.291 1.644 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccnc(F)c2)c1 ZINC000794720158 586047370 /nfs/dbraw/zinc/04/73/70/586047370.db2.gz DLNJLFFAHYWFNG-NSCUHMNNSA-N 1 2 231.230 1.850 20 30 BDEDLO C#CCC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000796309761 586100373 /nfs/dbraw/zinc/10/03/73/586100373.db2.gz YPKRPDZRFDSHAD-DTWKUNHWSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000796309767 586100388 /nfs/dbraw/zinc/10/03/88/586100388.db2.gz YPKRPDZRFDSHAD-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000796309767 586100389 /nfs/dbraw/zinc/10/03/89/586100389.db2.gz YPKRPDZRFDSHAD-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(C)n1)C1CC1 ZINC000796454836 586103814 /nfs/dbraw/zinc/10/38/14/586103814.db2.gz GJPTXGIOMZPIST-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(C)n1)C1CC1 ZINC000796454836 586103815 /nfs/dbraw/zinc/10/38/15/586103815.db2.gz GJPTXGIOMZPIST-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000797776036 586130949 /nfs/dbraw/zinc/13/09/49/586130949.db2.gz MBTFRLLKSUFSKR-LLVKDONJSA-N 1 2 231.299 1.590 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799299049 586169545 /nfs/dbraw/zinc/16/95/45/586169545.db2.gz TWUQUXBTCHYRFT-SKDRFNHKSA-N 1 2 237.278 1.346 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799299049 586169547 /nfs/dbraw/zinc/16/95/47/586169547.db2.gz TWUQUXBTCHYRFT-SKDRFNHKSA-N 1 2 237.278 1.346 20 30 BDEDLO O=C1C=C([NH2+]Nc2cccc(F)c2)[C@H]2CCCN12 ZINC000799478085 586178220 /nfs/dbraw/zinc/17/82/20/586178220.db2.gz RGFOISAHIWFDNI-GFCCVEGCSA-N 1 2 247.273 1.988 20 30 BDEDLO CC[C@H](C)[NH2+]NC1=CC(=O)N2CCCC[C@H]12 ZINC000799485905 586180064 /nfs/dbraw/zinc/18/00/64/586180064.db2.gz PIKZBTGJIYIPOE-GXSJLCMTSA-N 1 2 223.320 1.515 20 30 BDEDLO C=C[C@@H]([NH2+]CC1Cc2ccccc2C1)C(=O)OC ZINC000799978851 586204758 /nfs/dbraw/zinc/20/47/58/586204758.db2.gz ROOGEYRNZLEVMU-CQSZACIVSA-N 1 2 245.322 1.719 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000800383793 586214221 /nfs/dbraw/zinc/21/42/21/586214221.db2.gz CZWWWAIYJQFZBT-WCQYABFASA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000800383793 586214223 /nfs/dbraw/zinc/21/42/23/586214223.db2.gz CZWWWAIYJQFZBT-WCQYABFASA-N 1 2 246.310 1.599 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccnn2C)c1 ZINC000800794955 586229422 /nfs/dbraw/zinc/22/94/22/586229422.db2.gz VEWRVAFECNSOHO-ONEGZZNKSA-N 1 2 216.244 1.050 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2ccc(C)nn2)cn1C ZINC000800813131 586231334 /nfs/dbraw/zinc/23/13/34/586231334.db2.gz QLYKMDGVUZKEPW-UHFFFAOYSA-N 1 2 244.302 1.663 20 30 BDEDLO C[C@H](C#N)OCC[N@H+](C)Cc1ccon1 ZINC000801922037 586278017 /nfs/dbraw/zinc/27/80/17/586278017.db2.gz DLSGVUGILXUTLW-SECBINFHSA-N 1 2 209.249 1.035 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1ccon1 ZINC000801922037 586278019 /nfs/dbraw/zinc/27/80/19/586278019.db2.gz DLSGVUGILXUTLW-SECBINFHSA-N 1 2 209.249 1.035 20 30 BDEDLO C#C[C@@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000806251903 586407759 /nfs/dbraw/zinc/40/77/59/586407759.db2.gz MMNQEDSKHCDHAI-SECBINFHSA-N 1 2 242.282 1.786 20 30 BDEDLO C#CCC(CC#C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000807259827 586430685 /nfs/dbraw/zinc/43/06/85/586430685.db2.gz FDBSVUUHPLUPBV-LBPRGKRZSA-N 1 2 243.310 1.640 20 30 BDEDLO C#C[C@H](NC(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC000807879041 586450488 /nfs/dbraw/zinc/45/04/88/586450488.db2.gz LZUIICHQVJIXDU-LBPRGKRZSA-N 1 2 247.342 1.827 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000808180989 586467229 /nfs/dbraw/zinc/46/72/29/586467229.db2.gz UJUHWUGPJOXEFV-GFCCVEGCSA-N 1 2 210.321 1.710 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000808180989 586467230 /nfs/dbraw/zinc/46/72/30/586467230.db2.gz UJUHWUGPJOXEFV-GFCCVEGCSA-N 1 2 210.321 1.710 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CCCO1 ZINC000810152932 586535307 /nfs/dbraw/zinc/53/53/07/586535307.db2.gz HPMQAPARFYRYCB-GHMZBOCLSA-N 1 2 247.323 1.285 20 30 BDEDLO Cn1cc(C=[NH+]NCCC(C)(C)C)c(=O)[nH]1 ZINC000814227698 586618452 /nfs/dbraw/zinc/61/84/52/586618452.db2.gz ZBGVFZKSKAMWOM-UHFFFAOYSA-N 1 2 224.308 1.485 20 30 BDEDLO CC(=NOCC1CC1)c1cn(C)c(C)[nH+]1 ZINC000814241327 586619307 /nfs/dbraw/zinc/61/93/07/586619307.db2.gz NHBFRFKIZCTVIW-UHFFFAOYSA-N 1 2 207.277 1.879 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000815111869 586667214 /nfs/dbraw/zinc/66/72/14/586667214.db2.gz FXZFEFVETCDWGQ-KXUCPTDWSA-N 1 2 230.258 1.645 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000815111869 586667216 /nfs/dbraw/zinc/66/72/16/586667216.db2.gz FXZFEFVETCDWGQ-KXUCPTDWSA-N 1 2 230.258 1.645 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000815111873 586667266 /nfs/dbraw/zinc/66/72/66/586667266.db2.gz FXZFEFVETCDWGQ-UTLUCORTSA-N 1 2 230.258 1.645 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000815111873 586667268 /nfs/dbraw/zinc/66/72/68/586667268.db2.gz FXZFEFVETCDWGQ-UTLUCORTSA-N 1 2 230.258 1.645 20 30 BDEDLO C=CCNC(=S)NCc1cc(C)[nH+]c(C)c1 ZINC000817561163 586811683 /nfs/dbraw/zinc/81/16/83/586811683.db2.gz WXIIMRLXGUJSDV-UHFFFAOYSA-N 1 2 235.356 1.849 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@H]1CCOC1 ZINC000819809985 586996540 /nfs/dbraw/zinc/99/65/40/586996540.db2.gz URYDATGYIMDRAG-JTQLQIEISA-N 1 2 222.292 1.176 20 30 BDEDLO N#Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)nc1 ZINC000819930945 587003345 /nfs/dbraw/zinc/00/33/45/587003345.db2.gz OTQITMKTTHVXOD-SNVBAGLBSA-N 1 2 225.255 1.707 20 30 BDEDLO C=C[C@H](CC)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821387189 587115492 /nfs/dbraw/zinc/11/54/92/587115492.db2.gz YITHCMKPHOMYDW-MNOVXSKESA-N 1 2 233.315 1.526 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821597587 587131562 /nfs/dbraw/zinc/13/15/62/587131562.db2.gz AKUYSYQXCRZFHV-UHFFFAOYSA-N 1 2 242.286 1.212 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822472640 587170268 /nfs/dbraw/zinc/17/02/68/587170268.db2.gz MLOTZZJHKLEQPX-OLZOCXBDSA-N 1 2 247.342 1.950 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)C(=O)OC ZINC000822489330 587171485 /nfs/dbraw/zinc/17/14/85/587171485.db2.gz AHIVNALNGSYUGG-UTLUCORTSA-N 1 2 227.329 1.035 20 30 BDEDLO C#CCO[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836156 587242203 /nfs/dbraw/zinc/24/22/03/587242203.db2.gz FBYJQIZVDNSATI-NSHDSACASA-N 1 2 232.283 1.675 20 30 BDEDLO C=C[C@H](C)ONC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824033486 587249834 /nfs/dbraw/zinc/24/98/34/587249834.db2.gz MYVBHWAIBOUILF-UDIARPCQSA-N 1 2 221.260 1.056 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824034466 587250133 /nfs/dbraw/zinc/25/01/33/587250133.db2.gz KFNCJJUAPDSLSP-QMMMGPOBSA-N 1 2 246.274 1.051 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824034466 587250135 /nfs/dbraw/zinc/25/01/35/587250135.db2.gz KFNCJJUAPDSLSP-QMMMGPOBSA-N 1 2 246.274 1.051 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000824290218 587265158 /nfs/dbraw/zinc/26/51/58/587265158.db2.gz JNSPEGODYCSKPF-NSHDSACASA-N 1 2 245.326 1.386 20 30 BDEDLO CC(C)N(CCC#N)C(=O)Cc1[nH]cc[nH+]1 ZINC000825043122 587299931 /nfs/dbraw/zinc/29/99/31/587299931.db2.gz APNUTYHZBSRZQF-UHFFFAOYSA-N 1 2 220.276 1.103 20 30 BDEDLO N#Cc1cncc(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000825916093 587345609 /nfs/dbraw/zinc/34/56/09/587345609.db2.gz ANNNMZDQKNEOIE-JTQLQIEISA-N 1 2 240.270 1.413 20 30 BDEDLO Cc1nc(F)ccc1C[NH+]1CC(CC#N)C1 ZINC000826990840 587367200 /nfs/dbraw/zinc/36/72/00/587367200.db2.gz OMEAAXJSGMEEQO-UHFFFAOYSA-N 1 2 219.263 1.875 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000829778409 587515130 /nfs/dbraw/zinc/51/51/30/587515130.db2.gz BWGHIHXYCJUTSE-LLVKDONJSA-N 1 2 233.315 1.867 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000829778409 587515132 /nfs/dbraw/zinc/51/51/32/587515132.db2.gz BWGHIHXYCJUTSE-LLVKDONJSA-N 1 2 233.315 1.867 20 30 BDEDLO C#CCN(C(=O)/C=C\c1cn(C)c[nH+]1)C(C)C ZINC000830154294 587539410 /nfs/dbraw/zinc/53/94/10/587539410.db2.gz CIWWPRDNMUWPTO-SREVYHEPSA-N 1 2 231.299 1.304 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000830662141 587562843 /nfs/dbraw/zinc/56/28/43/587562843.db2.gz JRTPKYKTJVTJRR-SNVBAGLBSA-N 1 2 231.299 1.043 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000830662141 587562844 /nfs/dbraw/zinc/56/28/44/587562844.db2.gz JRTPKYKTJVTJRR-SNVBAGLBSA-N 1 2 231.299 1.043 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000834770553 587766446 /nfs/dbraw/zinc/76/64/46/587766446.db2.gz VMNQFKHLPQVRGK-XQHKEYJVSA-N 1 2 245.326 1.659 20 30 BDEDLO CNC(=S)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834916983 587770912 /nfs/dbraw/zinc/77/09/12/587770912.db2.gz SRHJRIFOBPGQSF-UHFFFAOYSA-N 1 2 248.355 1.403 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836422478 587832929 /nfs/dbraw/zinc/83/29/29/587832929.db2.gz OUEXQOBSSYPRSG-WDEREUQCSA-N 1 2 246.314 1.429 20 30 BDEDLO C=CCOCCO[NH+]=C(N)c1cccc(F)c1 ZINC000842026208 587989803 /nfs/dbraw/zinc/98/98/03/587989803.db2.gz JSTMPKJGSLIXLN-UHFFFAOYSA-N 1 2 238.262 1.875 20 30 BDEDLO COc1ncncc1C[NH+]1CCC(C#N)CC1 ZINC000843393313 588106519 /nfs/dbraw/zinc/10/65/19/588106519.db2.gz YNCBCFONEIPJDQ-UHFFFAOYSA-N 1 2 232.287 1.221 20 30 BDEDLO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)CCC#N ZINC000844309453 588183128 /nfs/dbraw/zinc/18/31/28/588183128.db2.gz LSVVUYUXSGGKEX-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)CCC#N ZINC000844309453 588183129 /nfs/dbraw/zinc/18/31/29/588183129.db2.gz LSVVUYUXSGGKEX-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO C#CCCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000844461568 588196924 /nfs/dbraw/zinc/19/69/24/588196924.db2.gz FQWVTIWVRSYAMK-CYBMUJFWSA-N 1 2 233.315 1.207 20 30 BDEDLO C#CCCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000844461568 588196925 /nfs/dbraw/zinc/19/69/25/588196925.db2.gz FQWVTIWVRSYAMK-CYBMUJFWSA-N 1 2 233.315 1.207 20 30 BDEDLO C=C[C@@H](C)ON=CC(C)(C)[NH+]1CCOCC1 ZINC000844619510 588208952 /nfs/dbraw/zinc/20/89/52/588208952.db2.gz ALAJZPOHNJTBGJ-LLVKDONJSA-N 1 2 226.320 1.674 20 30 BDEDLO COCC#CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845281426 588225365 /nfs/dbraw/zinc/22/53/65/588225365.db2.gz HHQYBYGMGUTGJK-LLVKDONJSA-N 1 2 236.271 1.027 20 30 BDEDLO C=CCOCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284387 588225928 /nfs/dbraw/zinc/22/59/28/588225928.db2.gz BMABLWCPIXPDJN-LLVKDONJSA-N 1 2 238.287 1.580 20 30 BDEDLO C#CC(C)(C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845514221 588231609 /nfs/dbraw/zinc/23/16/09/588231609.db2.gz SQVFSDJSRAHQNR-UHFFFAOYSA-N 1 2 245.326 1.290 20 30 BDEDLO C=CC[C@H]1CC[C@H]([NH2+]CC(=O)NOCC)C1 ZINC000846085326 588256061 /nfs/dbraw/zinc/25/60/61/588256061.db2.gz XXJGLKKJADYKKS-QWRGUYRKSA-N 1 2 226.320 1.389 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000846546635 588274082 /nfs/dbraw/zinc/27/40/82/588274082.db2.gz DYYSRVGGRSKBSK-NXEZZACHSA-N 1 2 235.287 1.068 20 30 BDEDLO CCCS(=O)(=O)CC[NH2+][C@H](CC)CC#N ZINC000846994240 588300828 /nfs/dbraw/zinc/30/08/28/588300828.db2.gz PHJFADLJZJLWOC-SNVBAGLBSA-N 1 2 232.349 1.093 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2oncc2C(=O)OC)C1 ZINC000847019069 588302104 /nfs/dbraw/zinc/30/21/04/588302104.db2.gz OKRADAUPFBPCSC-SNVBAGLBSA-N 1 2 248.282 1.306 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2oncc2C(=O)OC)C1 ZINC000847019069 588302105 /nfs/dbraw/zinc/30/21/05/588302105.db2.gz OKRADAUPFBPCSC-SNVBAGLBSA-N 1 2 248.282 1.306 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000847021902 588302890 /nfs/dbraw/zinc/30/28/90/588302890.db2.gz CURQQWWXWVJQFM-SNVBAGLBSA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000847021902 588302891 /nfs/dbraw/zinc/30/28/91/588302891.db2.gz CURQQWWXWVJQFM-SNVBAGLBSA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2noc(CCC)n2)C1 ZINC000847021838 588302903 /nfs/dbraw/zinc/30/29/03/588302903.db2.gz BUDZJLYMOXHZTL-NSHDSACASA-N 1 2 233.315 1.867 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2noc(CCC)n2)C1 ZINC000847021838 588302904 /nfs/dbraw/zinc/30/29/04/588302904.db2.gz BUDZJLYMOXHZTL-NSHDSACASA-N 1 2 233.315 1.867 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000847021919 588302981 /nfs/dbraw/zinc/30/29/81/588302981.db2.gz QSOHNVLSLPRZHI-SNVBAGLBSA-N 1 2 221.329 1.692 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000847021919 588302982 /nfs/dbraw/zinc/30/29/82/588302982.db2.gz QSOHNVLSLPRZHI-SNVBAGLBSA-N 1 2 221.329 1.692 20 30 BDEDLO CC#CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000848095976 588355939 /nfs/dbraw/zinc/35/59/39/588355939.db2.gz IBBSESLOWGMPAI-UHFFFAOYSA-N 1 2 244.285 1.103 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000848279221 588369897 /nfs/dbraw/zinc/36/98/97/588369897.db2.gz LBUUXGBRJCWXLP-NSHDSACASA-N 1 2 245.326 1.559 20 30 BDEDLO Cc1nc(C)c(C=NNCCCn2cc[nH+]c2)o1 ZINC000848417324 588381414 /nfs/dbraw/zinc/38/14/14/588381414.db2.gz UVQLUDUHTFKXCE-UHFFFAOYSA-N 1 2 247.302 1.502 20 30 BDEDLO CCC(=NNCCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000848416867 588381566 /nfs/dbraw/zinc/38/15/66/588381566.db2.gz BGPLFZXXDZGOLG-UHFFFAOYSA-N 1 2 246.318 1.400 20 30 BDEDLO C[C@@H]1OCCC1N=NCCCn1cc[nH+]c1 ZINC000848418143 588382094 /nfs/dbraw/zinc/38/20/94/588382094.db2.gz JCNPTMKBWGVVKH-JTQLQIEISA-N 1 2 222.292 1.028 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cn2ncsc2=S)C1 ZINC000848493875 588386694 /nfs/dbraw/zinc/38/66/94/588386694.db2.gz RIKDSWIBAZYSKV-VIFPVBQESA-N 1 2 239.369 1.977 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cn2ncsc2=S)C1 ZINC000848493875 588386695 /nfs/dbraw/zinc/38/66/95/588386695.db2.gz RIKDSWIBAZYSKV-VIFPVBQESA-N 1 2 239.369 1.977 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851808557 588632245 /nfs/dbraw/zinc/63/22/45/588632245.db2.gz ITFQPAQUEBJDJT-NXEZZACHSA-N 1 2 212.293 1.372 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851866870 588636712 /nfs/dbraw/zinc/63/67/12/588636712.db2.gz YEWHRCYGQXIREU-JQWIXIFHSA-N 1 2 238.331 1.762 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851866870 588636713 /nfs/dbraw/zinc/63/67/13/588636713.db2.gz YEWHRCYGQXIREU-JQWIXIFHSA-N 1 2 238.331 1.762 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851866868 588636976 /nfs/dbraw/zinc/63/69/76/588636976.db2.gz YEWHRCYGQXIREU-CMPLNLGQSA-N 1 2 238.331 1.762 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851866868 588636977 /nfs/dbraw/zinc/63/69/77/588636977.db2.gz YEWHRCYGQXIREU-CMPLNLGQSA-N 1 2 238.331 1.762 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cnon2)CC1 ZINC000851912604 588643127 /nfs/dbraw/zinc/64/31/27/588643127.db2.gz NPMWRFAQMIEEDU-UHFFFAOYSA-N 1 2 206.249 1.195 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000851990762 588653161 /nfs/dbraw/zinc/65/31/61/588653161.db2.gz VYGCMENJCKWQCV-SSDOTTSWSA-N 1 2 223.232 1.345 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000851990762 588653162 /nfs/dbraw/zinc/65/31/62/588653162.db2.gz VYGCMENJCKWQCV-SSDOTTSWSA-N 1 2 223.232 1.345 20 30 BDEDLO C[C@]1([NH2+]CCc2ccc(C#N)cc2)CCOC1=O ZINC000852063057 588658529 /nfs/dbraw/zinc/65/85/29/588658529.db2.gz MYKXMVGYPKXOIB-AWEZNQCLSA-N 1 2 244.294 1.396 20 30 BDEDLO C[N@H+](C[C@H](O)c1ccccn1)CC(C)(C)C#N ZINC000852088086 588661073 /nfs/dbraw/zinc/66/10/73/588661073.db2.gz CFLQTDRMKQLANS-LBPRGKRZSA-N 1 2 233.315 1.597 20 30 BDEDLO C[N@@H+](C[C@H](O)c1ccccn1)CC(C)(C)C#N ZINC000852088086 588661074 /nfs/dbraw/zinc/66/10/74/588661074.db2.gz CFLQTDRMKQLANS-LBPRGKRZSA-N 1 2 233.315 1.597 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC000852101926 588663046 /nfs/dbraw/zinc/66/30/46/588663046.db2.gz IJALGVOQNYDZJQ-SKDRFNHKSA-N 1 2 237.303 1.669 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1csnn1 ZINC000852103853 588663901 /nfs/dbraw/zinc/66/39/01/588663901.db2.gz TYVMFYWCWPAQDS-SCZZXKLOSA-N 1 2 209.318 1.991 20 30 BDEDLO C#CCCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852154344 588667810 /nfs/dbraw/zinc/66/78/10/588667810.db2.gz PAWNFRYDFCXTKD-SNVBAGLBSA-N 1 2 234.303 1.194 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852274503 588675341 /nfs/dbraw/zinc/67/53/41/588675341.db2.gz BZOPZVMMCJGNMD-JTQLQIEISA-N 1 2 234.303 1.353 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852274503 588675342 /nfs/dbraw/zinc/67/53/42/588675342.db2.gz BZOPZVMMCJGNMD-JTQLQIEISA-N 1 2 234.303 1.353 20 30 BDEDLO C#CC[N@@H+]1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852317327 588678125 /nfs/dbraw/zinc/67/81/25/588678125.db2.gz GJHJERVOGCAQEY-ZDUSSCGKSA-N 1 2 239.290 1.377 20 30 BDEDLO C#CC[N@H+]1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852317327 588678126 /nfs/dbraw/zinc/67/81/26/588678126.db2.gz GJHJERVOGCAQEY-ZDUSSCGKSA-N 1 2 239.290 1.377 20 30 BDEDLO CC(C)([NH2+]Cc1cnon1)c1cccc(C#N)c1 ZINC000852354079 588679725 /nfs/dbraw/zinc/67/97/25/588679725.db2.gz WYXKEGDXHQLYCX-UHFFFAOYSA-N 1 2 242.282 1.966 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1cc(C)on1 ZINC000852750209 588699838 /nfs/dbraw/zinc/69/98/38/588699838.db2.gz NXZRHRRAQYBHFU-UHFFFAOYSA-N 1 2 222.288 1.455 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1cc(C)on1 ZINC000852750209 588699839 /nfs/dbraw/zinc/69/98/39/588699839.db2.gz NXZRHRRAQYBHFU-UHFFFAOYSA-N 1 2 222.288 1.455 20 30 BDEDLO C=CC[C@@H](C)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000860900621 589128786 /nfs/dbraw/zinc/12/87/86/589128786.db2.gz HOPOFCUWXQFSRE-MNOVXSKESA-N 1 2 243.372 1.932 20 30 BDEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)CC ZINC000118390495 589169687 /nfs/dbraw/zinc/16/96/87/589169687.db2.gz DNFNJJVQFLSQHY-UHFFFAOYSA-N 1 2 219.350 1.319 20 30 BDEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)CC ZINC000118390495 589169689 /nfs/dbraw/zinc/16/96/89/589169689.db2.gz DNFNJJVQFLSQHY-UHFFFAOYSA-N 1 2 219.350 1.319 20 30 BDEDLO C#CCN(CC#CC)Cc1[nH]cc(C)[nH+]1 ZINC000862247509 589196779 /nfs/dbraw/zinc/19/67/79/589196779.db2.gz YSLYUVFZEMQOFT-UHFFFAOYSA-N 1 2 201.273 1.177 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(=O)OC ZINC000862392644 589208089 /nfs/dbraw/zinc/20/80/89/589208089.db2.gz OAOXEKSRYKIWJQ-WPRPVWTQSA-N 1 2 245.269 1.575 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862546239 589219440 /nfs/dbraw/zinc/21/94/40/589219440.db2.gz JLMFTDPPMVHXJG-SNVBAGLBSA-N 1 2 219.288 1.377 20 30 BDEDLO Fc1cc(C=NNCCCn2cc[nH+]c2)ccn1 ZINC000863126119 589261320 /nfs/dbraw/zinc/26/13/20/589261320.db2.gz DRRRKJQJJWQFKZ-UHFFFAOYSA-N 1 2 247.277 1.431 20 30 BDEDLO C=CC[N@@H+](C)CN1Cc2cc(OC)ccc2C1=O ZINC000863264327 589275072 /nfs/dbraw/zinc/27/50/72/589275072.db2.gz FZLOONMAACZAID-UHFFFAOYSA-N 1 2 246.310 1.726 20 30 BDEDLO C=CC[N@H+](C)CN1Cc2cc(OC)ccc2C1=O ZINC000863264327 589275074 /nfs/dbraw/zinc/27/50/74/589275074.db2.gz FZLOONMAACZAID-UHFFFAOYSA-N 1 2 246.310 1.726 20 30 BDEDLO C#CCOCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477572 589291942 /nfs/dbraw/zinc/29/19/42/589291942.db2.gz PSHXZNVSIUJEAG-UHFFFAOYSA-N 1 2 240.303 1.094 20 30 BDEDLO NC(=O)[C@H]1C[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000864345692 589354084 /nfs/dbraw/zinc/35/40/84/589354084.db2.gz CURXHUBFPRYWKB-OSPFYZCPSA-N 1 2 218.256 1.075 20 30 BDEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccnn1C ZINC000865839475 589464455 /nfs/dbraw/zinc/46/44/55/589464455.db2.gz XXDCKWDIVGDOPZ-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO C#CC[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000865899375 589467649 /nfs/dbraw/zinc/46/76/49/589467649.db2.gz BFFKMIXVLCZNFX-JTQLQIEISA-N 1 2 231.303 1.002 20 30 BDEDLO C#CC[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000865899375 589467650 /nfs/dbraw/zinc/46/76/50/589467650.db2.gz BFFKMIXVLCZNFX-JTQLQIEISA-N 1 2 231.303 1.002 20 30 BDEDLO C#CC[C@H](CCOC)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865976831 589471077 /nfs/dbraw/zinc/47/10/77/589471077.db2.gz AMXSSSRTMPZJCN-WCQYABFASA-N 1 2 248.326 1.975 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000866242201 589482510 /nfs/dbraw/zinc/48/25/10/589482510.db2.gz IVJQOQJWXFDHPP-MNOVXSKESA-N 1 2 246.310 1.951 20 30 BDEDLO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866396770 589490029 /nfs/dbraw/zinc/49/00/29/589490029.db2.gz BEQMKBBNZWSCCP-FOGDFJRCSA-N 1 2 246.310 1.685 20 30 BDEDLO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc(C#N)c1O ZINC000866415875 589491537 /nfs/dbraw/zinc/49/15/37/589491537.db2.gz HCNHAVUIJQIPJK-FOGDFJRCSA-N 1 2 246.310 1.685 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCCc1ccc(C)cc1 ZINC000123326684 589690908 /nfs/dbraw/zinc/69/09/08/589690908.db2.gz DCWWKNSHRVWFFN-LLVKDONJSA-N 1 2 236.315 1.861 20 30 BDEDLO Cc1cc(CO[NH+]=C(N)c2cccc(F)c2)no1 ZINC000123459461 589719418 /nfs/dbraw/zinc/71/94/18/589719418.db2.gz JFOQHGCWLGMNOK-UHFFFAOYSA-N 1 2 249.245 1.959 20 30 BDEDLO CCc1noc(C)c1CO[NH+]=C(N)[C@H](C)OC ZINC000123507104 589740493 /nfs/dbraw/zinc/74/04/93/589740493.db2.gz VADNWZOBPLNAIW-QMMMGPOBSA-N 1 2 241.291 1.369 20 30 BDEDLO c1ccc(N2CCC(=NN3CCC3)CC2)[nH+]c1 ZINC000872396253 589933118 /nfs/dbraw/zinc/93/31/18/589933118.db2.gz YZMXAAFWSJYGEW-UHFFFAOYSA-N 1 2 230.315 1.744 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CCC2(CCC2)C1=O ZINC000872600223 589955906 /nfs/dbraw/zinc/95/59/06/589955906.db2.gz CGQBLZSXFBJFJZ-NSHDSACASA-N 1 2 220.316 1.300 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CCC2(CCC2)C1=O ZINC000872600223 589955909 /nfs/dbraw/zinc/95/59/09/589955909.db2.gz CGQBLZSXFBJFJZ-NSHDSACASA-N 1 2 220.316 1.300 20 30 BDEDLO N#CC[N@H+](CCC1OCCO1)C1CCCC1 ZINC000124370819 589982795 /nfs/dbraw/zinc/98/27/95/589982795.db2.gz FFYJMNJUZYYUBM-UHFFFAOYSA-N 1 2 224.304 1.518 20 30 BDEDLO N#CC[N@@H+](CCC1OCCO1)C1CCCC1 ZINC000124370819 589982797 /nfs/dbraw/zinc/98/27/97/589982797.db2.gz FFYJMNJUZYYUBM-UHFFFAOYSA-N 1 2 224.304 1.518 20 30 BDEDLO C#CCN(CC)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000874167881 590095589 /nfs/dbraw/zinc/09/55/89/590095589.db2.gz ZFSFRFSOBXCKOC-ZDUSSCGKSA-N 1 2 247.342 1.952 20 30 BDEDLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000875706020 590169095 /nfs/dbraw/zinc/16/90/95/590169095.db2.gz YJSHVRFDIVRLHR-DKKFBCOVSA-N 1 2 249.358 1.239 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)nn1 ZINC000877321995 590315947 /nfs/dbraw/zinc/31/59/47/590315947.db2.gz VYILGTVLCOGERO-ZETCQYMHSA-N 1 2 210.668 1.379 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877322151 590316186 /nfs/dbraw/zinc/31/61/86/590316186.db2.gz ZOCBVXKDLMWDNG-QMMMGPOBSA-N 1 2 234.690 1.856 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Cl)nn1 ZINC000877322652 590317481 /nfs/dbraw/zinc/31/74/81/590317481.db2.gz AMOGCQHCWIBGAU-UHFFFAOYSA-N 1 2 224.695 1.769 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(CCC)nn1 ZINC000877480203 590336886 /nfs/dbraw/zinc/33/68/86/590336886.db2.gz NEFVLJYQNMMSGU-SNVBAGLBSA-N 1 2 206.293 1.142 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(CCC)nn1 ZINC000877480203 590336888 /nfs/dbraw/zinc/33/68/88/590336888.db2.gz NEFVLJYQNMMSGU-SNVBAGLBSA-N 1 2 206.293 1.142 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)C(=O)OC ZINC000877584040 590366831 /nfs/dbraw/zinc/36/68/31/590366831.db2.gz WSPXGLKSEYWGSD-AEJSXWLSSA-N 1 2 227.329 1.035 20 30 BDEDLO C#CC[C@@H]([NH2+]CCc1ccc(C)cc1)C(=O)OC ZINC000877582935 590367077 /nfs/dbraw/zinc/36/70/77/590367077.db2.gz IMVHDUCNQYDRBM-CQSZACIVSA-N 1 2 245.322 1.692 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC ZINC000877582923 590367138 /nfs/dbraw/zinc/36/71/38/590367138.db2.gz IBQWCKVAQUONSY-MCIGGMRASA-N 1 2 234.299 1.223 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000877616717 590375155 /nfs/dbraw/zinc/37/51/55/590375155.db2.gz GIPDMFCWYSRORP-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000877616717 590375160 /nfs/dbraw/zinc/37/51/60/590375160.db2.gz GIPDMFCWYSRORP-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000877689954 590391652 /nfs/dbraw/zinc/39/16/52/590391652.db2.gz MCUAZSZKDXMZIQ-VXGBXAGGSA-N 1 2 239.315 1.777 20 30 BDEDLO C=C(Br)C[NH2+]Cc1ccc(CO)o1 ZINC000126772978 590442434 /nfs/dbraw/zinc/44/24/34/590442434.db2.gz QPXQQUPKFFZNNY-UHFFFAOYSA-N 1 2 246.104 1.770 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CCC2(CCOCC2)O1 ZINC000878175073 590516452 /nfs/dbraw/zinc/51/64/52/590516452.db2.gz LRPAUAOLZRVHEV-GFCCVEGCSA-N 1 2 238.331 1.560 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CCC2(CCOCC2)O1 ZINC000878175073 590516454 /nfs/dbraw/zinc/51/64/54/590516454.db2.gz LRPAUAOLZRVHEV-GFCCVEGCSA-N 1 2 238.331 1.560 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000878409290 590562299 /nfs/dbraw/zinc/56/22/99/590562299.db2.gz IQHXALFZERWHTA-WDEREUQCSA-N 1 2 229.320 1.365 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000878462496 590572244 /nfs/dbraw/zinc/57/22/44/590572244.db2.gz VRCDXCOKBGSLCX-UHFFFAOYSA-N 1 2 219.288 1.446 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ncccc1C ZINC000878462496 590572246 /nfs/dbraw/zinc/57/22/46/590572246.db2.gz VRCDXCOKBGSLCX-UHFFFAOYSA-N 1 2 219.288 1.446 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878500241 590580735 /nfs/dbraw/zinc/58/07/35/590580735.db2.gz CZLKHDNGTCYCQB-UHFFFAOYSA-N 1 2 204.273 1.618 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878500241 590580737 /nfs/dbraw/zinc/58/07/37/590580737.db2.gz CZLKHDNGTCYCQB-UHFFFAOYSA-N 1 2 204.273 1.618 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879309096 590735582 /nfs/dbraw/zinc/73/55/82/590735582.db2.gz UIYVBLKUPUNRDQ-GJKHTVIGSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879309096 590735584 /nfs/dbraw/zinc/73/55/84/590735584.db2.gz UIYVBLKUPUNRDQ-GJKHTVIGSA-N 1 2 236.315 1.730 20 30 BDEDLO C#CC[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879630575 590840102 /nfs/dbraw/zinc/84/01/02/590840102.db2.gz FMRICBROTGBXND-CQSZACIVSA-N 1 2 231.295 1.702 20 30 BDEDLO C#CC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879630575 590840106 /nfs/dbraw/zinc/84/01/06/590840106.db2.gz FMRICBROTGBXND-CQSZACIVSA-N 1 2 231.295 1.702 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2cscn2)CC1 ZINC000880477283 591053341 /nfs/dbraw/zinc/05/33/41/591053341.db2.gz DTMVCQXVGRETEE-UHFFFAOYSA-N 1 2 236.340 1.493 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC=C[C@H]1CO ZINC000880485176 591058049 /nfs/dbraw/zinc/05/80/49/591058049.db2.gz BNXZBOQGTOSCPQ-ZDUSSCGKSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC=C[C@H]1CO ZINC000880485176 591058055 /nfs/dbraw/zinc/05/80/55/591058055.db2.gz BNXZBOQGTOSCPQ-ZDUSSCGKSA-N 1 2 232.258 1.430 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000129864397 591414408 /nfs/dbraw/zinc/41/44/08/591414408.db2.gz OHIGOHPFZZTFKO-UONOGXRCSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000129863974 591414548 /nfs/dbraw/zinc/41/45/48/591414548.db2.gz OHIGOHPFZZTFKO-KBPBESRZSA-N 1 2 248.370 1.590 20 30 BDEDLO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000883390218 591641380 /nfs/dbraw/zinc/64/13/80/591641380.db2.gz IDTMMXJXYPBPRZ-GXSJLCMTSA-N 1 2 223.320 1.696 20 30 BDEDLO C=C(C)C[C@@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000883401344 591648919 /nfs/dbraw/zinc/64/89/19/591648919.db2.gz KRMYSCKEGAFHPH-NSHDSACASA-N 1 2 209.293 1.135 20 30 BDEDLO C#CCSCCNc1cc(C)[nH+]cn1 ZINC000131789259 591657088 /nfs/dbraw/zinc/65/70/88/591657088.db2.gz GDHRFJAEMYXISV-UHFFFAOYSA-N 1 2 207.302 1.563 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC000133407573 591790310 /nfs/dbraw/zinc/79/03/10/591790310.db2.gz CUOLFZAMMGXGPA-CYBMUJFWSA-N 1 2 236.359 1.590 20 30 BDEDLO CC(=[NH+]Nc1ncn[nH]1)c1c(C)cc(N)cc1C ZINC000884468805 591943362 /nfs/dbraw/zinc/94/33/62/591943362.db2.gz MNOFIKVTSCKXGZ-UHFFFAOYSA-N 1 2 244.302 1.840 20 30 BDEDLO CC(=[NH+]Nc1nnc[nH]1)c1c(C)cc(N)cc1C ZINC000884468805 591943365 /nfs/dbraw/zinc/94/33/65/591943365.db2.gz MNOFIKVTSCKXGZ-UHFFFAOYSA-N 1 2 244.302 1.840 20 30 BDEDLO C#CCCN(CCOC)c1cc[nH+]c(CC)n1 ZINC000884561236 591980593 /nfs/dbraw/zinc/98/05/93/591980593.db2.gz TYJXXHHRCYSDQK-UHFFFAOYSA-N 1 2 233.315 1.515 20 30 BDEDLO Cc1cc(CO[NH+]=C(N)Cc2cccnc2)no1 ZINC000137638532 592207110 /nfs/dbraw/zinc/20/71/10/592207110.db2.gz UXYHFTYUJRFAAU-UHFFFAOYSA-N 1 2 246.270 1.410 20 30 BDEDLO C=CCC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886963404 592402269 /nfs/dbraw/zinc/40/22/69/592402269.db2.gz PJDLNXGNOVRKDZ-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CCOCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102180 592443616 /nfs/dbraw/zinc/44/36/16/592443616.db2.gz GLJOCDQWRZKNPG-UHFFFAOYSA-N 1 2 217.259 1.756 20 30 BDEDLO C#CCOCC[N@H+](CC(F)F)C1CCC1 ZINC000887102180 592443618 /nfs/dbraw/zinc/44/36/18/592443618.db2.gz GLJOCDQWRZKNPG-UHFFFAOYSA-N 1 2 217.259 1.756 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114526 592686060 /nfs/dbraw/zinc/68/60/60/592686060.db2.gz OBEHUFYDLUKEOQ-SNVBAGLBSA-N 1 2 237.303 1.018 20 30 BDEDLO N#CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336002580 634570639 /nfs/dbraw/zinc/57/06/39/634570639.db2.gz RMSMOXYTQGFDRW-UHFFFAOYSA-N 1 2 229.243 1.369 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000950043497 635250988 /nfs/dbraw/zinc/25/09/88/635250988.db2.gz PBCHTFIIEOGJCL-OLZOCXBDSA-N 1 2 234.343 1.200 20 30 BDEDLO Nc1ccc(C=[NH+]OCC(F)F)cn1 ZINC000308525073 631421285 /nfs/dbraw/zinc/42/12/85/631421285.db2.gz QKOAACHSBYFQAT-UHFFFAOYSA-N 1 2 201.176 1.279 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000309117890 631887613 /nfs/dbraw/zinc/88/76/13/631887613.db2.gz MKBSMOITUCFNSL-SFYZADRCSA-N 1 2 225.317 1.446 20 30 BDEDLO Cc1cc(F)ccc1CO[NH+]=C(N)CCO ZINC000186792391 634085856 /nfs/dbraw/zinc/08/58/56/634085856.db2.gz IFEIFHHJWGAXMU-UHFFFAOYSA-N 1 2 226.251 1.305 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931300386 634317309 /nfs/dbraw/zinc/31/73/09/634317309.db2.gz VDYATIQBCHXDGO-ZDUSSCGKSA-N 1 2 242.282 1.985 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000893545640 635133195 /nfs/dbraw/zinc/13/31/95/635133195.db2.gz VHZKUHYKXRKHMZ-LLVKDONJSA-N 1 2 245.326 1.638 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000893607201 635231391 /nfs/dbraw/zinc/23/13/91/635231391.db2.gz WCQOSCXSJAAEIW-JTQLQIEISA-N 1 2 248.330 1.275 20 30 BDEDLO C=CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162102023 636033858 /nfs/dbraw/zinc/03/38/58/636033858.db2.gz OUIFUVORLSJJLM-UHFFFAOYSA-N 1 2 234.303 1.764 20 30 BDEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)CCC ZINC000181279709 636042807 /nfs/dbraw/zinc/04/28/07/636042807.db2.gz ISLZJGYCINIPNT-UHFFFAOYSA-N 1 2 219.350 1.319 20 30 BDEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)CCC ZINC000181279709 636042814 /nfs/dbraw/zinc/04/28/14/636042814.db2.gz ISLZJGYCINIPNT-UHFFFAOYSA-N 1 2 219.350 1.319 20 30 BDEDLO C#C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897434467 636665469 /nfs/dbraw/zinc/66/54/69/636665469.db2.gz UTAWLDMKWAFLMZ-VIFPVBQESA-N 1 2 219.288 1.065 20 30 BDEDLO N#CC1(CCCC[N@@H+]2CCNC(=O)C2)CCC1 ZINC000929137268 636828884 /nfs/dbraw/zinc/82/88/84/636828884.db2.gz BUGJXEMRWLGWER-UHFFFAOYSA-N 1 2 235.331 1.282 20 30 BDEDLO N#CC1(CCCC[N@H+]2CCNC(=O)C2)CCC1 ZINC000929137268 636828888 /nfs/dbraw/zinc/82/88/88/636828888.db2.gz BUGJXEMRWLGWER-UHFFFAOYSA-N 1 2 235.331 1.282 20 30 BDEDLO C[C@@H](N[C@@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000902760704 637334376 /nfs/dbraw/zinc/33/43/76/637334376.db2.gz KEDZTXRCLJXWHG-DGCLKSJQSA-N 1 2 244.342 1.698 20 30 BDEDLO C[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000902760704 637334379 /nfs/dbraw/zinc/33/43/79/637334379.db2.gz KEDZTXRCLJXWHG-DGCLKSJQSA-N 1 2 244.342 1.698 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)cs1)Cn1cnnc1 ZINC000904441224 637411737 /nfs/dbraw/zinc/41/17/37/637411737.db2.gz FENBJPSHYXHXHA-UHFFFAOYSA-N 1 2 233.300 1.301 20 30 BDEDLO C[N@H+](Cc1cc(C#N)cs1)Cn1cnnc1 ZINC000904441224 637411739 /nfs/dbraw/zinc/41/17/39/637411739.db2.gz FENBJPSHYXHXHA-UHFFFAOYSA-N 1 2 233.300 1.301 20 30 BDEDLO C=C[C@H](CC)Cc1nc(C[NH2+]CC)no1 ZINC000904493752 637421184 /nfs/dbraw/zinc/42/11/84/637421184.db2.gz GPWYUCASQWAEML-SECBINFHSA-N 1 2 209.293 1.934 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2cc(CO)on2)[nH+]c1C ZINC000905076893 637606322 /nfs/dbraw/zinc/60/63/22/637606322.db2.gz NDDNNMQUJLGNIJ-ONEGZZNKSA-N 1 2 247.254 1.403 20 30 BDEDLO C#CC[N@H+](CN1CCN(CC=C)C1=O)C(C)C ZINC000905748541 637896923 /nfs/dbraw/zinc/89/69/23/637896923.db2.gz ILBOBPCQWIPUJK-UHFFFAOYSA-N 1 2 235.331 1.211 20 30 BDEDLO C#CC[N@@H+](CN1CCN(CC=C)C1=O)C(C)C ZINC000905748541 637896924 /nfs/dbraw/zinc/89/69/24/637896924.db2.gz ILBOBPCQWIPUJK-UHFFFAOYSA-N 1 2 235.331 1.211 20 30 BDEDLO C=CC[C@H]([NH2+]CCc1ccsc1)C(=O)OC ZINC000905760369 637914943 /nfs/dbraw/zinc/91/49/43/637914943.db2.gz ASJXGZBQTQVHQK-NSHDSACASA-N 1 2 239.340 1.998 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000905764284 637918612 /nfs/dbraw/zinc/91/86/12/637918612.db2.gz HEBGDXGOYHZHHC-MNOVXSKESA-N 1 2 225.288 1.386 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000905764756 637920738 /nfs/dbraw/zinc/92/07/38/637920738.db2.gz SVDZFUYGHQLEIA-GARJFASQSA-N 1 2 209.289 1.492 20 30 BDEDLO C=CC[C@@H]([NH2+]C1Cc2ccccc2C1)C(=O)OC ZINC000905765664 637920875 /nfs/dbraw/zinc/92/08/75/637920875.db2.gz RJKIZKSBAQKGED-CQSZACIVSA-N 1 2 245.322 1.861 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H]1CCCS1)C(=O)OC ZINC000905766044 637920959 /nfs/dbraw/zinc/92/09/59/637920959.db2.gz GWJPFDRFBCWECX-NXEZZACHSA-N 1 2 229.345 1.589 20 30 BDEDLO C=CC[C@@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000905772171 637927650 /nfs/dbraw/zinc/92/76/50/637927650.db2.gz VWYACOYYNRSKCA-LLVKDONJSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907963617 638524939 /nfs/dbraw/zinc/52/49/39/638524939.db2.gz WHKLXSIQCGXMSL-SECBINFHSA-N 1 2 207.277 1.423 20 30 BDEDLO Cc1cc(C)c(C(=O)N2CC(C#N)C2)c(C)[nH+]1 ZINC000908398846 638695383 /nfs/dbraw/zinc/69/53/83/638695383.db2.gz KETSWLADTBPIAP-UHFFFAOYSA-N 1 2 229.283 1.602 20 30 BDEDLO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1csnn1 ZINC000930725403 639880131 /nfs/dbraw/zinc/88/01/31/639880131.db2.gz CIWIVYWAGJDHMO-YUMQZZPRSA-N 1 2 213.306 1.126 20 30 BDEDLO Cc1cc(C[NH2+][C@@H](C)CC#N)c(C)nn1 ZINC000930868323 639958982 /nfs/dbraw/zinc/95/89/82/639958982.db2.gz PWHLLPDEIADWGX-QMMMGPOBSA-N 1 2 204.277 1.485 20 30 BDEDLO CC[C@H](C)CO[NH+]=c1cc[nH]c(C#N)c1 ZINC000912169282 639986140 /nfs/dbraw/zinc/98/61/40/639986140.db2.gz ADNVEZIJCUWDRA-VIFPVBQESA-N 1 2 205.261 1.765 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CNc1cccc[nH+]1)C1CC1 ZINC000912411148 640055993 /nfs/dbraw/zinc/05/59/93/640055993.db2.gz LEQXHMSNLHDGPD-JTQLQIEISA-N 1 2 244.298 1.397 20 30 BDEDLO C[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@@](C)(C(F)F)O1 ZINC000931080081 640060589 /nfs/dbraw/zinc/06/05/89/640060589.db2.gz PMDPMHRICPVWJA-KKZNHRDASA-N 1 2 248.273 1.005 20 30 BDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)C[C@@](C)(C(F)F)O1 ZINC000931080081 640060597 /nfs/dbraw/zinc/06/05/97/640060597.db2.gz PMDPMHRICPVWJA-KKZNHRDASA-N 1 2 248.273 1.005 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000912984406 640262162 /nfs/dbraw/zinc/26/21/62/640262162.db2.gz PVMGWGQPFZQNEG-SNVBAGLBSA-N 1 2 219.288 1.377 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000912985839 640264565 /nfs/dbraw/zinc/26/45/65/640264565.db2.gz LOYFISRSEPEOAN-LBPRGKRZSA-N 1 2 243.310 1.365 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148689 640441323 /nfs/dbraw/zinc/44/13/23/640441323.db2.gz RGNRZNLXDIKAMW-NWDGAFQWSA-N 1 2 248.326 1.708 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148689 640441326 /nfs/dbraw/zinc/44/13/26/640441326.db2.gz RGNRZNLXDIKAMW-NWDGAFQWSA-N 1 2 248.326 1.708 20 30 BDEDLO C#CC[N@H+](Cc1nccc(C)n1)C(C)C ZINC000932388728 640518144 /nfs/dbraw/zinc/51/81/44/640518144.db2.gz UFOOITZJLRWRFA-UHFFFAOYSA-N 1 2 203.289 1.629 20 30 BDEDLO C#CC[N@@H+](Cc1nccc(C)n1)C(C)C ZINC000932388728 640518146 /nfs/dbraw/zinc/51/81/46/640518146.db2.gz UFOOITZJLRWRFA-UHFFFAOYSA-N 1 2 203.289 1.629 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000932475410 640543740 /nfs/dbraw/zinc/54/37/40/640543740.db2.gz OOCIZCWOCKGAAW-SNVBAGLBSA-N 1 2 221.304 1.671 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(F)cc2)C1 ZINC001030053848 640550808 /nfs/dbraw/zinc/55/08/08/640550808.db2.gz YFAXRBIQLSPFBE-UHFFFAOYSA-N 1 2 248.301 1.816 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001030510097 640891104 /nfs/dbraw/zinc/89/11/04/640891104.db2.gz LQPIACDXTNZEFD-GFCCVEGCSA-N 1 2 234.343 1.719 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001030562509 640917282 /nfs/dbraw/zinc/91/72/82/640917282.db2.gz AZJAMFFIQXXQDL-DYEKYZERSA-N 1 2 246.354 1.246 20 30 BDEDLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccncc1C#N ZINC000934107751 641070218 /nfs/dbraw/zinc/07/02/18/641070218.db2.gz MIFILXWYEPUXHQ-QWHCGFSZSA-N 1 2 231.299 1.562 20 30 BDEDLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccncc1C#N ZINC000934107751 641070221 /nfs/dbraw/zinc/07/02/21/641070221.db2.gz MIFILXWYEPUXHQ-QWHCGFSZSA-N 1 2 231.299 1.562 20 30 BDEDLO C#CC1(O)C[NH+](CCCCOC(C)(C)C)C1 ZINC000934447325 641147154 /nfs/dbraw/zinc/14/71/54/641147154.db2.gz AXTNRJMAIUNSOB-UHFFFAOYSA-N 1 2 225.332 1.262 20 30 BDEDLO C#CCCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000231669690 641191787 /nfs/dbraw/zinc/19/17/87/641191787.db2.gz LQAIFWBASFLYDS-JTQLQIEISA-N 1 2 211.305 1.720 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837824 641287605 /nfs/dbraw/zinc/28/76/05/641287605.db2.gz WULQYZJFKZMFAD-RYUDHWBXSA-N 1 2 208.305 1.649 20 30 BDEDLO N#CC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837824 641287611 /nfs/dbraw/zinc/28/76/11/641287611.db2.gz WULQYZJFKZMFAD-RYUDHWBXSA-N 1 2 208.305 1.649 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C)co2)C1 ZINC001030812707 641363773 /nfs/dbraw/zinc/36/37/73/641363773.db2.gz ALWJDAGHYGXPPR-UHFFFAOYSA-N 1 2 234.299 1.578 20 30 BDEDLO C(=NNC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000758126595 641384085 /nfs/dbraw/zinc/38/40/85/641384085.db2.gz FNBUHGHDHDGKPI-UHFFFAOYSA-N 1 2 226.283 1.958 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001030869425 641392326 /nfs/dbraw/zinc/39/23/26/641392326.db2.gz PBAUPGSHABXKOY-OLZOCXBDSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccco2)C1 ZINC001030940476 641479358 /nfs/dbraw/zinc/47/93/58/641479358.db2.gz CPSSITUFSAWSJT-NSHDSACASA-N 1 2 246.310 1.207 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC23CCC3)C1 ZINC001031022395 641600148 /nfs/dbraw/zinc/60/01/48/641600148.db2.gz DMDWXCRIUPQMQM-GFCCVEGCSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001031168214 641763090 /nfs/dbraw/zinc/76/30/90/641763090.db2.gz MCUVXGIRHMHTSI-OLZOCXBDSA-N 1 2 234.343 1.102 20 30 BDEDLO CON=C1CCN(c2cccc[nH+]2)CC1 ZINC000915958197 641887626 /nfs/dbraw/zinc/88/76/26/641887626.db2.gz RFSHLDUMHNHVCL-UHFFFAOYSA-N 1 2 205.261 1.684 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000950369148 641916502 /nfs/dbraw/zinc/91/65/02/641916502.db2.gz GEINGSMPLSESSE-ZFWWWQNUSA-N 1 2 248.370 1.897 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1occc1Br ZINC000308193877 642492800 /nfs/dbraw/zinc/49/28/00/642492800.db2.gz QKSHFVQZHUPHBE-SSDOTTSWSA-N 1 2 246.104 1.679 20 30 BDEDLO C#CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000175472443 642686997 /nfs/dbraw/zinc/68/69/97/642686997.db2.gz AXHRGPGPCPRQAG-CYBMUJFWSA-N 1 2 231.295 1.856 20 30 BDEDLO C#CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000175472443 642687002 /nfs/dbraw/zinc/68/70/02/642687002.db2.gz AXHRGPGPCPRQAG-CYBMUJFWSA-N 1 2 231.295 1.856 20 30 BDEDLO C[Si](C)(C)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000306172837 642729463 /nfs/dbraw/zinc/72/94/63/642729463.db2.gz KVTCCSJBLKDGJO-VIFPVBQESA-N 1 2 200.333 1.801 20 30 BDEDLO C[Si](C)(C)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000306172837 642729470 /nfs/dbraw/zinc/72/94/70/642729470.db2.gz KVTCCSJBLKDGJO-VIFPVBQESA-N 1 2 200.333 1.801 20 30 BDEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000179866209 642751070 /nfs/dbraw/zinc/75/10/70/642751070.db2.gz ASADFKUWWGHEJE-ZDUSSCGKSA-N 1 2 245.322 1.919 20 30 BDEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000179866209 642751077 /nfs/dbraw/zinc/75/10/77/642751077.db2.gz ASADFKUWWGHEJE-ZDUSSCGKSA-N 1 2 245.322 1.919 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC)C1 ZINC000964525017 642752834 /nfs/dbraw/zinc/75/28/34/642752834.db2.gz BSFCKKXVUZKHON-KOLCDFICSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC)C1 ZINC000964525017 642752843 /nfs/dbraw/zinc/75/28/43/642752843.db2.gz BSFCKKXVUZKHON-KOLCDFICSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC)C1 ZINC001009784250 642838952 /nfs/dbraw/zinc/83/89/52/642838952.db2.gz BQNSDPPOFYNAPN-SECBINFHSA-N 1 2 216.712 1.339 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC)C1 ZINC001009784250 642838955 /nfs/dbraw/zinc/83/89/55/642838955.db2.gz BQNSDPPOFYNAPN-SECBINFHSA-N 1 2 216.712 1.339 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)C1 ZINC001009879267 642845068 /nfs/dbraw/zinc/84/50/68/642845068.db2.gz ATFIECOQBBJVDX-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC2)C1 ZINC001009879267 642845069 /nfs/dbraw/zinc/84/50/69/642845069.db2.gz ATFIECOQBBJVDX-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO CC(C)OCCO[NH+]=C(N)Cc1cccnc1 ZINC000181719098 642896353 /nfs/dbraw/zinc/89/63/53/642896353.db2.gz BLXQCGYOQCWDCK-UHFFFAOYSA-N 1 2 237.303 1.338 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015526101 642900004 /nfs/dbraw/zinc/90/00/04/642900004.db2.gz DFXLRWDDBUWHFG-DVVUODLYSA-N 1 2 242.750 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015526101 642900018 /nfs/dbraw/zinc/90/00/18/642900018.db2.gz DFXLRWDDBUWHFG-DVVUODLYSA-N 1 2 242.750 1.585 20 30 BDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnco1 ZINC001017778152 642978687 /nfs/dbraw/zinc/97/86/87/642978687.db2.gz FOYKLVONGFGXKJ-PHIMTYICSA-N 1 2 247.298 1.149 20 30 BDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnco1 ZINC001017778152 642978694 /nfs/dbraw/zinc/97/86/94/642978694.db2.gz FOYKLVONGFGXKJ-PHIMTYICSA-N 1 2 247.298 1.149 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281555583 643044012 /nfs/dbraw/zinc/04/40/12/643044012.db2.gz XUKIRQGPVGSSBZ-BDAKNGLRSA-N 1 2 230.695 1.169 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281555583 643044022 /nfs/dbraw/zinc/04/40/22/643044022.db2.gz XUKIRQGPVGSSBZ-BDAKNGLRSA-N 1 2 230.695 1.169 20 30 BDEDLO C#CCC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183826741 643171484 /nfs/dbraw/zinc/17/14/84/643171484.db2.gz KSIBLXDZXOPOLX-UHFFFAOYSA-N 1 2 219.288 1.118 20 30 BDEDLO N#CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000085789508 643803569 /nfs/dbraw/zinc/80/35/69/643803569.db2.gz VGCYEEGKPVYBDH-NSHDSACASA-N 1 2 201.273 1.962 20 30 BDEDLO CC1CC(C#N)(C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922532872 644015370 /nfs/dbraw/zinc/01/53/70/644015370.db2.gz IYGGKCVVMZLZEY-UHFFFAOYSA-N 1 2 245.282 1.647 20 30 BDEDLO N#CCCCC(=O)OCc1ccc[nH+]c1N ZINC000922744518 644086002 /nfs/dbraw/zinc/08/60/02/644086002.db2.gz YVVAHCALWGEGAS-UHFFFAOYSA-N 1 2 219.244 1.401 20 30 BDEDLO C#CCSCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922944203 644197996 /nfs/dbraw/zinc/19/79/96/644197996.db2.gz FYUHQZXBJXJXDS-UHFFFAOYSA-N 1 2 236.296 1.073 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(C)nn1 ZINC000755698352 644618541 /nfs/dbraw/zinc/61/85/41/644618541.db2.gz IKLLOTXQORQBDG-UHFFFAOYSA-N 1 2 216.248 1.263 20 30 BDEDLO Cc1[nH]c[nH+]c1CN=Nc1ccc(F)cn1 ZINC000755705957 644618659 /nfs/dbraw/zinc/61/86/59/644618659.db2.gz JMNCTPDXRXEMNX-UHFFFAOYSA-N 1 2 219.223 1.698 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000956965406 644671911 /nfs/dbraw/zinc/67/19/11/644671911.db2.gz SLRSZBNPOXVZMB-STQMWFEESA-N 1 2 236.359 1.609 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248909748 644705362 /nfs/dbraw/zinc/70/53/62/644705362.db2.gz XRXOQBVHFNPDHA-GHMZBOCLSA-N 1 2 236.315 1.706 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248909748 644705366 /nfs/dbraw/zinc/70/53/66/644705366.db2.gz XRXOQBVHFNPDHA-GHMZBOCLSA-N 1 2 236.315 1.706 20 30 BDEDLO C#CC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000830311619 645117748 /nfs/dbraw/zinc/11/77/48/645117748.db2.gz RMQIPTUPOIAQCH-UHFFFAOYSA-N 1 2 248.248 1.010 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000847017846 645415785 /nfs/dbraw/zinc/41/57/85/645415785.db2.gz FESVQYYHHKKDJP-WDEREUQCSA-N 1 2 245.330 1.414 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000847017846 645415791 /nfs/dbraw/zinc/41/57/91/645415791.db2.gz FESVQYYHHKKDJP-WDEREUQCSA-N 1 2 245.330 1.414 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000847017553 645416105 /nfs/dbraw/zinc/41/61/05/645416105.db2.gz COBKCFQEXIAILJ-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000847017553 645416117 /nfs/dbraw/zinc/41/61/17/645416117.db2.gz COBKCFQEXIAILJ-JTQLQIEISA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000847017841 645416429 /nfs/dbraw/zinc/41/64/29/645416429.db2.gz FESVQYYHHKKDJP-MNOVXSKESA-N 1 2 245.330 1.414 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000847017841 645416435 /nfs/dbraw/zinc/41/64/35/645416435.db2.gz FESVQYYHHKKDJP-MNOVXSKESA-N 1 2 245.330 1.414 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000847017250 645416739 /nfs/dbraw/zinc/41/67/39/645416739.db2.gz AKAYOOJWRZMGAF-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000847017250 645416742 /nfs/dbraw/zinc/41/67/42/645416742.db2.gz AKAYOOJWRZMGAF-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO C[C@@H](c1ccnnc1)[NH+]1CCN(CCC#N)CC1 ZINC000926806406 645440318 /nfs/dbraw/zinc/44/03/18/645440318.db2.gz DFWPTHGNXNROJP-LBPRGKRZSA-N 1 2 245.330 1.069 20 30 BDEDLO N#CC1(C(=O)OCCn2cc[nH+]c2)CC2(CC2)C1 ZINC000869614980 645746233 /nfs/dbraw/zinc/74/62/33/645746233.db2.gz VNFHENSUNUCPSA-UHFFFAOYSA-N 1 2 245.282 1.510 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NCCCn1cc[nH+]c1 ZINC000929155346 645977601 /nfs/dbraw/zinc/97/76/01/645977601.db2.gz ABDHHZQUTOPRCM-LBPRGKRZSA-N 1 2 235.331 1.992 20 30 BDEDLO C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928800132 711786868 /nfs/dbraw/zinc/78/68/68/711786868.db2.gz IUQRYUORRLMBPE-JGVFFNPUSA-N 1 2 249.236 1.041 20 30 BDEDLO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928800132 711786870 /nfs/dbraw/zinc/78/68/70/711786870.db2.gz IUQRYUORRLMBPE-JGVFFNPUSA-N 1 2 249.236 1.041 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)C)C1 ZINC001032928725 711969048 /nfs/dbraw/zinc/96/90/48/711969048.db2.gz NCTIEZKRZVUKKD-LLVKDONJSA-N 1 2 244.766 1.928 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)C)C1 ZINC001032928725 711969050 /nfs/dbraw/zinc/96/90/50/711969050.db2.gz NCTIEZKRZVUKKD-LLVKDONJSA-N 1 2 244.766 1.928 20 30 BDEDLO CC[N@H+](CCS(C)(=O)=O)[C@@H](C)CCC#N ZINC000709995722 712238759 /nfs/dbraw/zinc/23/87/59/712238759.db2.gz IFCJFGHRCAQHKR-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)CCC#N ZINC000709995722 712238761 /nfs/dbraw/zinc/23/87/61/712238761.db2.gz IFCJFGHRCAQHKR-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO C#C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCO1 ZINC000379946483 712635875 /nfs/dbraw/zinc/63/58/75/712635875.db2.gz DCFVIVNEMABKBU-MNOVXSKESA-N 1 2 204.273 1.061 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001038420721 710685562 /nfs/dbraw/zinc/68/55/62/710685562.db2.gz SWRQUXHQUSCBJJ-LBPRGKRZSA-N 1 2 245.326 1.069 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001038420721 710685564 /nfs/dbraw/zinc/68/55/64/710685564.db2.gz SWRQUXHQUSCBJJ-LBPRGKRZSA-N 1 2 245.326 1.069 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001038763702 710706767 /nfs/dbraw/zinc/70/67/67/710706767.db2.gz PYFHWGBUBXWLCF-VXGBXAGGSA-N 1 2 232.327 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001038763702 710706773 /nfs/dbraw/zinc/70/67/73/710706773.db2.gz PYFHWGBUBXWLCF-VXGBXAGGSA-N 1 2 232.327 1.000 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001038836240 710709946 /nfs/dbraw/zinc/70/99/46/710709946.db2.gz KURZWRDRGJORHD-LLVKDONJSA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001038836240 710709950 /nfs/dbraw/zinc/70/99/50/710709950.db2.gz KURZWRDRGJORHD-LLVKDONJSA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccs1 ZINC001038848124 710713014 /nfs/dbraw/zinc/71/30/14/710713014.db2.gz YUELPLBHTRYRGR-SECBINFHSA-N 1 2 237.328 1.133 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nccs1 ZINC001038848124 710713020 /nfs/dbraw/zinc/71/30/20/710713020.db2.gz YUELPLBHTRYRGR-SECBINFHSA-N 1 2 237.328 1.133 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001038887485 710713930 /nfs/dbraw/zinc/71/39/30/710713930.db2.gz QDEKSMMBAJVGFZ-OLZOCXBDSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001038887485 710713933 /nfs/dbraw/zinc/71/39/33/710713933.db2.gz QDEKSMMBAJVGFZ-OLZOCXBDSA-N 1 2 246.354 1.390 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccccc2C)C1 ZINC001042425685 710783203 /nfs/dbraw/zinc/78/32/03/710783203.db2.gz BNMWPAZZNTUOBN-UHFFFAOYSA-N 1 2 244.338 1.937 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccoc2C)C1 ZINC001042459302 710784363 /nfs/dbraw/zinc/78/43/63/710784363.db2.gz NSNRYBGKUUWDOK-UHFFFAOYSA-N 1 2 246.310 1.368 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001042471271 710786396 /nfs/dbraw/zinc/78/63/96/710786396.db2.gz VJZBNMRSIHPUIB-UHFFFAOYSA-N 1 2 233.315 1.347 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001042583039 710792695 /nfs/dbraw/zinc/79/26/95/710792695.db2.gz FJATVIAQGJVZPH-WDNDVIMCSA-N 1 2 248.370 1.751 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001042694594 710796715 /nfs/dbraw/zinc/79/67/15/710796715.db2.gz MDJIMKIBPDQLAA-JTQLQIEISA-N 1 2 244.285 1.360 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@H]2C)C1 ZINC001043741019 710812245 /nfs/dbraw/zinc/81/22/45/710812245.db2.gz JCQLDGGYXLFUPU-NEPJUHHUSA-N 1 2 236.359 1.751 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1cc(C)on1 ZINC000677047861 710924653 /nfs/dbraw/zinc/92/46/53/710924653.db2.gz IGRWPSBPOYZSME-NSHDSACASA-N 1 2 210.277 1.352 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)CCn1cc[nH+]c1 ZINC000384143866 710990411 /nfs/dbraw/zinc/99/04/11/710990411.db2.gz GLDONKLMTIHGET-GFCCVEGCSA-N 1 2 219.288 1.191 20 30 BDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OC1CCC1 ZINC000393556386 711162981 /nfs/dbraw/zinc/16/29/81/711162981.db2.gz MBQIMKSXPSBWLK-UHFFFAOYSA-N 1 2 228.683 1.389 20 30 BDEDLO CC(C)CN(CCC#N)C(=O)Cc1c[nH+]c[nH]1 ZINC000900401848 710843145 /nfs/dbraw/zinc/84/31/45/710843145.db2.gz IAZZVMNXNWVTNJ-UHFFFAOYSA-N 1 2 234.303 1.350 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1cc(C)on1 ZINC000677047861 710924649 /nfs/dbraw/zinc/92/46/49/710924649.db2.gz IGRWPSBPOYZSME-NSHDSACASA-N 1 2 210.277 1.352 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001038042225 711578317 /nfs/dbraw/zinc/57/83/17/711578317.db2.gz HQEYFCQBUGBGFU-NSHDSACASA-N 1 2 232.283 1.025 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001038042225 711578320 /nfs/dbraw/zinc/57/83/20/711578320.db2.gz HQEYFCQBUGBGFU-NSHDSACASA-N 1 2 232.283 1.025 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1[nH]nc2c1COCC2 ZINC000934518249 711591673 /nfs/dbraw/zinc/59/16/73/711591673.db2.gz FNTBBHVSTKLFOJ-NSHDSACASA-N 1 2 245.326 1.470 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1[nH]nc2c1COCC2 ZINC000934518249 711591676 /nfs/dbraw/zinc/59/16/76/711591676.db2.gz FNTBBHVSTKLFOJ-NSHDSACASA-N 1 2 245.326 1.470 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724936153 711630942 /nfs/dbraw/zinc/63/09/42/711630942.db2.gz LSBSEFVIOXIYLG-VXGBXAGGSA-N 1 2 224.304 1.027 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724936153 711630939 /nfs/dbraw/zinc/63/09/39/711630939.db2.gz LSBSEFVIOXIYLG-VXGBXAGGSA-N 1 2 224.304 1.027 20 30 BDEDLO N#CC1(C[N@@H+]2CCCC[C@H]2C2OCCO2)CC1 ZINC000725700960 711762245 /nfs/dbraw/zinc/76/22/45/711762245.db2.gz AQKZIYOWOOMGTR-NSHDSACASA-N 1 2 236.315 1.518 20 30 BDEDLO N#CC1(C[N@H+]2CCCC[C@H]2C2OCCO2)CC1 ZINC000725700960 711762246 /nfs/dbraw/zinc/76/22/46/711762246.db2.gz AQKZIYOWOOMGTR-NSHDSACASA-N 1 2 236.315 1.518 20 30 BDEDLO C=CCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896915047 711783971 /nfs/dbraw/zinc/78/39/71/711783971.db2.gz GPAZIDIAGCGIJH-UHFFFAOYSA-N 1 2 221.304 1.999 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(C)C ZINC001032476565 711920472 /nfs/dbraw/zinc/92/04/72/711920472.db2.gz OYGPQEPNWNUBDC-AGIUHOORSA-N 1 2 248.370 1.587 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(C)C ZINC001032476565 711920473 /nfs/dbraw/zinc/92/04/73/711920473.db2.gz OYGPQEPNWNUBDC-AGIUHOORSA-N 1 2 248.370 1.587 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CC2 ZINC001032649306 711931508 /nfs/dbraw/zinc/93/15/08/711931508.db2.gz GBTPGZPMLVZBEE-AVGNSLFASA-N 1 2 244.338 1.095 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CC2 ZINC001032649306 711931510 /nfs/dbraw/zinc/93/15/10/711931510.db2.gz GBTPGZPMLVZBEE-AVGNSLFASA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CC1 ZINC001032804572 711942055 /nfs/dbraw/zinc/94/20/55/711942055.db2.gz MZYDXEUPWUCEKL-XBFCOCLRSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CC1 ZINC001032804572 711942056 /nfs/dbraw/zinc/94/20/56/711942056.db2.gz MZYDXEUPWUCEKL-XBFCOCLRSA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CC1 ZINC001032804571 711942065 /nfs/dbraw/zinc/94/20/65/711942065.db2.gz MZYDXEUPWUCEKL-UBHSHLNASA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CC1 ZINC001032804571 711942066 /nfs/dbraw/zinc/94/20/66/711942066.db2.gz MZYDXEUPWUCEKL-UBHSHLNASA-N 1 2 246.354 1.341 20 30 BDEDLO CC(C)(CNC(=O)C1(C#N)CCC1)n1cc[nH+]c1 ZINC000701412094 712022670 /nfs/dbraw/zinc/02/26/70/712022670.db2.gz GJMFMAANPXMANG-UHFFFAOYSA-N 1 2 246.314 1.428 20 30 BDEDLO Cc1n[nH]c(C[NH2+]Cc2nc(C#N)cs2)c1C ZINC000716464956 712563040 /nfs/dbraw/zinc/56/30/40/712563040.db2.gz IPGOSKDYZOQFNY-UHFFFAOYSA-N 1 2 247.327 1.645 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC000848923701 712610230 /nfs/dbraw/zinc/61/02/30/712610230.db2.gz IQJBWCYYKOSZOE-LLVKDONJSA-N 1 2 218.304 1.143 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC000848923701 712610231 /nfs/dbraw/zinc/61/02/31/712610231.db2.gz IQJBWCYYKOSZOE-LLVKDONJSA-N 1 2 218.304 1.143 20 30 BDEDLO CC[C@H](CCC(=O)OC)C[N@@H+]1CCC[C@H]1C#N ZINC001208779499 957163565 /nfs/dbraw/zinc/16/35/65/957163565.db2.gz JMGJFKOJFSJLBQ-NEPJUHHUSA-N 1 2 238.331 1.954 20 30 BDEDLO CC[C@H](CCC(=O)OC)C[N@H+]1CCC[C@H]1C#N ZINC001208779499 957163586 /nfs/dbraw/zinc/16/35/86/957163586.db2.gz JMGJFKOJFSJLBQ-NEPJUHHUSA-N 1 2 238.331 1.954 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C(CC)CC)C1 ZINC001267637693 960156639 /nfs/dbraw/zinc/15/66/39/960156639.db2.gz XMADECXETIMGDJ-UHFFFAOYSA-N 1 2 222.332 1.246 20 30 BDEDLO CC1(C)OC[C@H](C[N@@H+]2CCC[C@H](C#N)C2)O1 ZINC000896501111 963467277 /nfs/dbraw/zinc/46/72/77/963467277.db2.gz ORDYVTVCQLVHFQ-MNOVXSKESA-N 1 2 224.304 1.373 20 30 BDEDLO CC1(C)OC[C@H](C[N@H+]2CCC[C@H](C#N)C2)O1 ZINC000896501111 963467288 /nfs/dbraw/zinc/46/72/88/963467288.db2.gz ORDYVTVCQLVHFQ-MNOVXSKESA-N 1 2 224.304 1.373 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC#CC ZINC001483684750 965476074 /nfs/dbraw/zinc/47/60/74/965476074.db2.gz XWXREJRUVYSUOT-CYBMUJFWSA-N 1 2 248.370 1.803 20 30 BDEDLO CC(C)(O)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001252350409 968628734 /nfs/dbraw/zinc/62/87/34/968628734.db2.gz NBINLXQEUUUQEF-VIFPVBQESA-N 1 2 227.329 1.031 20 30 BDEDLO C=CCOC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC001252469923 968725121 /nfs/dbraw/zinc/72/51/21/968725121.db2.gz FCRGZPATEVJOIR-JTQLQIEISA-N 1 2 242.344 1.138 20 30 BDEDLO C=CCOC[C@@H](O)C[N@H+](C)Cc1nccs1 ZINC001252469923 968725124 /nfs/dbraw/zinc/72/51/24/968725124.db2.gz FCRGZPATEVJOIR-JTQLQIEISA-N 1 2 242.344 1.138 20 30 BDEDLO C=C[C@](C)(O)CNc1ccn2cc[nH+]c2c1 ZINC001252546897 968784980 /nfs/dbraw/zinc/78/49/80/968784980.db2.gz CSWWUKQPAPSCGJ-LBPRGKRZSA-N 1 2 217.272 1.683 20 30 BDEDLO CC1(C[N@H+]2CCC[C@H]2C#N)CCOCC1 ZINC001207965293 968962619 /nfs/dbraw/zinc/96/26/19/968962619.db2.gz VMCAOQKSTILSHC-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)C=C ZINC001253601583 969297431 /nfs/dbraw/zinc/29/74/31/969297431.db2.gz SNNOUZDIWNIKEV-NEPJUHHUSA-N 1 2 241.331 1.267 20 30 BDEDLO C[C@@H]1CC(=O)C=C(Nc2cn(C)c[nH+]2)C1 ZINC001210767626 970019215 /nfs/dbraw/zinc/01/92/15/970019215.db2.gz YJVMXBOATULPOM-QMMMGPOBSA-N 1 2 205.261 1.715 20 30 BDEDLO CCOC(=O)N1CC[C@@H]([N@H+](C)CCC#N)C1 ZINC001256026170 970616592 /nfs/dbraw/zinc/61/65/92/970616592.db2.gz BAPGRLREJVOFBM-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO CCOC(=O)N1CC[C@@H]([N@@H+](C)CCC#N)C1 ZINC001256026170 970616597 /nfs/dbraw/zinc/61/65/97/970616597.db2.gz BAPGRLREJVOFBM-SNVBAGLBSA-N 1 2 225.292 1.063 20 30 BDEDLO Cn1c[nH+]cc1CN1CCCC[C@@H]1C#N ZINC000401844449 970740514 /nfs/dbraw/zinc/74/05/14/970740514.db2.gz PUZPQYLOYRPYGU-SNVBAGLBSA-N 1 2 204.277 1.298 20 30 BDEDLO C#CC[N@@H+](Cc1nccn1CC)CC1CC1 ZINC001337057201 978136120 /nfs/dbraw/zinc/13/61/20/978136120.db2.gz HRKQJQYXMRNPEK-UHFFFAOYSA-N 1 2 217.316 1.748 20 30 BDEDLO C#CC[N@H+](Cc1nccn1CC)CC1CC1 ZINC001337057201 978136127 /nfs/dbraw/zinc/13/61/27/978136127.db2.gz HRKQJQYXMRNPEK-UHFFFAOYSA-N 1 2 217.316 1.748 20 30 BDEDLO CC(=O)[C@H]1CC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048308 978434444 /nfs/dbraw/zinc/43/44/44/978434444.db2.gz DECFFCPMRQJNCD-NSHDSACASA-N 1 2 217.272 1.297 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233449780 978609549 /nfs/dbraw/zinc/60/95/49/978609549.db2.gz RINPENBLYWYPKZ-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233449780 978609553 /nfs/dbraw/zinc/60/95/53/978609553.db2.gz RINPENBLYWYPKZ-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C(=O)OCC ZINC001181453778 979106945 /nfs/dbraw/zinc/10/69/45/979106945.db2.gz BUNOHSDUDVBWAR-RHYQMDGZSA-N 1 2 239.315 1.119 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C(C)C ZINC001488651202 983687730 /nfs/dbraw/zinc/68/77/30/983687730.db2.gz MCLYCRFVKDQWSN-NWDGAFQWSA-N 1 2 240.322 1.146 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C(C)C ZINC001488651202 983687740 /nfs/dbraw/zinc/68/77/40/983687740.db2.gz MCLYCRFVKDQWSN-NWDGAFQWSA-N 1 2 240.322 1.146 20 30 BDEDLO CC(C)COCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001172474991 974771595 /nfs/dbraw/zinc/77/15/95/974771595.db2.gz YHPVVQFWXGVTES-STQMWFEESA-N 1 2 239.363 1.235 20 30 BDEDLO C#CCSCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001331736765 974808350 /nfs/dbraw/zinc/80/83/50/974808350.db2.gz AJKTZTVHDJKXKP-UHFFFAOYSA-N 1 2 248.351 1.681 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001328328289 972959144 /nfs/dbraw/zinc/95/91/44/972959144.db2.gz LMWIKJNKJIEVFQ-JQWIXIFHSA-N 1 2 219.288 1.362 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)OC ZINC001329391218 973732989 /nfs/dbraw/zinc/73/29/89/973732989.db2.gz BRVMWFRCBJLUND-NXEZZACHSA-N 1 2 248.754 1.210 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)OC ZINC001329391218 973733001 /nfs/dbraw/zinc/73/30/01/973733001.db2.gz BRVMWFRCBJLUND-NXEZZACHSA-N 1 2 248.754 1.210 20 30 BDEDLO COC(=O)CC1CCC([N@H+](C)CC#N)CC1 ZINC001256987389 971057958 /nfs/dbraw/zinc/05/79/58/971057958.db2.gz RRLHGRSBJOWVSC-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)CC1CCC([N@@H+](C)CC#N)CC1 ZINC001256987389 971057972 /nfs/dbraw/zinc/05/79/72/971057972.db2.gz RRLHGRSBJOWVSC-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO C[C@H]1CC([NH+]2CC(C)(C#N)C2)C[C@H](C)O1 ZINC001257089038 971101269 /nfs/dbraw/zinc/10/12/69/971101269.db2.gz DJIZYQGTCXRRSM-UWVGGRQHSA-N 1 2 208.305 1.788 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC(CO)C2)cc1F ZINC000404132175 971135987 /nfs/dbraw/zinc/13/59/87/971135987.db2.gz TTXHQWSNCHWVPQ-UHFFFAOYSA-N 1 2 220.247 1.121 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC001329892143 974007696 /nfs/dbraw/zinc/00/76/96/974007696.db2.gz PWDCVLDATGUVGR-UHFFFAOYSA-N 1 2 207.277 1.249 20 30 BDEDLO C=CCCCNC(=S)NCCn1cc[nH+]c1 ZINC001247697322 974012182 /nfs/dbraw/zinc/01/21/82/974012182.db2.gz PKKSTMKYLCBCAO-UHFFFAOYSA-N 1 2 238.360 1.313 20 30 BDEDLO CCCC(CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001257335478 971242855 /nfs/dbraw/zinc/24/28/55/971242855.db2.gz UTITXFIVLGXMGK-LBPRGKRZSA-N 1 2 209.337 1.753 20 30 BDEDLO C=CC[C@@](C)([NH2+][C@H]1CCCSC1)C(=O)OC ZINC001257669179 971472460 /nfs/dbraw/zinc/47/24/60/971472460.db2.gz ZGYJWMIARIAWAP-CMPLNLGQSA-N 1 2 243.372 1.979 20 30 BDEDLO CCOC(=O)C[C@@H](CC#N)Oc1cc[nH+]cc1 ZINC001225290626 974362433 /nfs/dbraw/zinc/36/24/33/974362433.db2.gz DDIGZAVXVZIDAV-LLVKDONJSA-N 1 2 234.255 1.696 20 30 BDEDLO N#CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001136466314 972181101 /nfs/dbraw/zinc/18/11/01/972181101.db2.gz NNMXGZOWDHQWPY-UHFFFAOYSA-N 1 2 232.287 1.104 20 30 BDEDLO Cc1cc(-n2cc(N)c(C#N)n2)ccc1[NH+](C)C ZINC001210042815 957626442 /nfs/dbraw/zinc/62/64/42/957626442.db2.gz MSGGIGUTRFTIOY-UHFFFAOYSA-N 1 2 241.298 1.701 20 30 BDEDLO CC(C)OC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397628531 957741640 /nfs/dbraw/zinc/74/16/40/957741640.db2.gz NIHXODLMMPSTQV-NSHDSACASA-N 1 2 224.304 1.564 20 30 BDEDLO CC(C)OC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397628531 957741645 /nfs/dbraw/zinc/74/16/45/957741645.db2.gz NIHXODLMMPSTQV-NSHDSACASA-N 1 2 224.304 1.564 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001136871598 972289545 /nfs/dbraw/zinc/28/95/45/972289545.db2.gz WJTLFVURGMPHSF-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001136871598 972289548 /nfs/dbraw/zinc/28/95/48/972289548.db2.gz WJTLFVURGMPHSF-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO CCC1=C(OCCn2cc[nH+]c2)C(=O)[C@@H](C)O1 ZINC001222134719 972384138 /nfs/dbraw/zinc/38/41/38/972384138.db2.gz LHYWJDIBDYSVSW-SECBINFHSA-N 1 2 236.271 1.509 20 30 BDEDLO C=C(C)C(=O)NCCC[NH2+]c1ccc(O)cc1 ZINC001167670862 959363860 /nfs/dbraw/zinc/36/38/60/959363860.db2.gz JHPQUWBEQPKPIO-UHFFFAOYSA-N 1 2 234.299 1.887 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NC1C[NH+](CC)C1 ZINC001267659328 960180708 /nfs/dbraw/zinc/18/07/08/960180708.db2.gz RUROALUBHCSOCP-LBPRGKRZSA-N 1 2 210.321 1.409 20 30 BDEDLO CN1CCOc2cc(C[N@H+](C)CCC#N)ccc21 ZINC001141139072 960382596 /nfs/dbraw/zinc/38/25/96/960382596.db2.gz IEGSNGYFCVIUQK-UHFFFAOYSA-N 1 2 245.326 1.861 20 30 BDEDLO CN1CCOc2cc(C[N@@H+](C)CCC#N)ccc21 ZINC001141139072 960382610 /nfs/dbraw/zinc/38/26/10/960382610.db2.gz IEGSNGYFCVIUQK-UHFFFAOYSA-N 1 2 245.326 1.861 20 30 BDEDLO C#CC[N@H+](C)Cc1c(OC)cc(O)cc1OC ZINC001140772357 960562421 /nfs/dbraw/zinc/56/24/21/960562421.db2.gz HCDRVOLYJJLVRH-UHFFFAOYSA-N 1 2 235.283 1.474 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(OC)cc(O)cc1OC ZINC001140772357 960562414 /nfs/dbraw/zinc/56/24/14/960562414.db2.gz HCDRVOLYJJLVRH-UHFFFAOYSA-N 1 2 235.283 1.474 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncco1 ZINC001141007342 960801016 /nfs/dbraw/zinc/80/10/16/960801016.db2.gz IIBWMFWMICKOQP-RTCCRHLQSA-N 1 2 217.272 1.941 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncco1 ZINC001141007342 960801017 /nfs/dbraw/zinc/80/10/17/960801017.db2.gz IIBWMFWMICKOQP-RTCCRHLQSA-N 1 2 217.272 1.941 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3cn[nH]c3)CC[C@@H]2S1 ZINC001203088543 960830888 /nfs/dbraw/zinc/83/08/88/960830888.db2.gz HGHRARVHONUHDW-JTQLQIEISA-N 1 2 235.312 1.184 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3cn[nH]c3)CC[C@@H]2S1 ZINC001203088543 960830897 /nfs/dbraw/zinc/83/08/97/960830897.db2.gz HGHRARVHONUHDW-JTQLQIEISA-N 1 2 235.312 1.184 20 30 BDEDLO CCCCc1[nH]c(CN(C)CC#N)c[nH+]1 ZINC001141071902 960857617 /nfs/dbraw/zinc/85/76/17/960857617.db2.gz GTSIJQMZVOPJEV-UHFFFAOYSA-N 1 2 206.293 1.708 20 30 BDEDLO CCCCc1[nH]cc(CN(C)CC#N)[nH+]1 ZINC001141071902 960857634 /nfs/dbraw/zinc/85/76/34/960857634.db2.gz GTSIJQMZVOPJEV-UHFFFAOYSA-N 1 2 206.293 1.708 20 30 BDEDLO C=CC[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141158953 960895308 /nfs/dbraw/zinc/89/53/08/960895308.db2.gz SQZJFVOSLHSLJB-UHFFFAOYSA-N 1 2 248.326 1.401 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160383 960897126 /nfs/dbraw/zinc/89/71/26/960897126.db2.gz WONIVFDZESXKPH-SNVBAGLBSA-N 1 2 232.283 1.833 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160383 960897127 /nfs/dbraw/zinc/89/71/27/960897127.db2.gz WONIVFDZESXKPH-SNVBAGLBSA-N 1 2 232.283 1.833 20 30 BDEDLO COCC1C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC001141164344 960905578 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968840833 /nfs/dbraw/zinc/84/08/33/968840833.db2.gz VQUWMTYONWDCBI-AAEUAGOBSA-N 1 2 243.347 1.635 20 30 BDEDLO CC1(C[N@@H+]2CCC[C@H]2C#N)CCOCC1 ZINC001207965293 968962612 /nfs/dbraw/zinc/96/26/12/968962612.db2.gz VMCAOQKSTILSHC-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001252846898 969032563 /nfs/dbraw/zinc/03/25/63/969032563.db2.gz FCFGFJNMJKOZEW-GXFFZTMASA-N 1 2 234.274 1.705 20 30 BDEDLO N#C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001252846898 969032569 /nfs/dbraw/zinc/03/25/69/969032569.db2.gz FCFGFJNMJKOZEW-GXFFZTMASA-N 1 2 234.274 1.705 20 30 BDEDLO CC(=O)N1CCC(C[NH+]2CC(C)(C#N)C2)CC1 ZINC001208673746 969187550 /nfs/dbraw/zinc/18/75/50/969187550.db2.gz WGWZPVCBMBIDPI-UHFFFAOYSA-N 1 2 235.331 1.090 20 30 BDEDLO COC(=O)C1(C)CCC([N@H+](C)CC#N)CC1 ZINC001168787996 969214654 /nfs/dbraw/zinc/21/46/54/969214654.db2.gz QIHPDJUGXSMXSO-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)C1(C)CCC([N@@H+](C)CC#N)CC1 ZINC001168787996 969214658 /nfs/dbraw/zinc/21/46/58/969214658.db2.gz QIHPDJUGXSMXSO-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO C=C[C@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001253565100 969237551 /nfs/dbraw/zinc/23/75/51/969237551.db2.gz JGAVRBFKRWITSL-JTQLQIEISA-N 1 2 217.272 1.602 20 30 BDEDLO C=C[C@@H](O)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001253585163 969269654 /nfs/dbraw/zinc/26/96/54/969269654.db2.gz WCUXKSARXPBTAQ-CYBMUJFWSA-N 1 2 249.310 1.209 20 30 BDEDLO C=C[C@@H](O)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001253585163 969269662 /nfs/dbraw/zinc/26/96/62/969269662.db2.gz WCUXKSARXPBTAQ-CYBMUJFWSA-N 1 2 249.310 1.209 20 30 BDEDLO C=C[C@H](O)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001253585164 969269735 /nfs/dbraw/zinc/26/97/35/969269735.db2.gz WCUXKSARXPBTAQ-ZDUSSCGKSA-N 1 2 249.310 1.209 20 30 BDEDLO C=C[C@H](O)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001253585164 969269739 /nfs/dbraw/zinc/26/97/39/969269739.db2.gz WCUXKSARXPBTAQ-ZDUSSCGKSA-N 1 2 249.310 1.209 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979252 969299694 /nfs/dbraw/zinc/29/96/94/969299694.db2.gz XUCZYFDCRMDBQQ-OUAUKWLOSA-N 1 2 225.292 1.714 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1NCC1OCCO1 ZINC001169062142 969374268 /nfs/dbraw/zinc/37/42/68/969374268.db2.gz GCNUITUCDOUVFB-UHFFFAOYSA-N 1 2 234.299 1.903 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c2ccccc2nn1C ZINC001209538808 969535022 /nfs/dbraw/zinc/53/50/22/969535022.db2.gz AWWJPKNOYWQTIZ-UHFFFAOYSA-N 1 2 237.306 1.642 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC2(CC2)CC1 ZINC001254434093 969618956 /nfs/dbraw/zinc/61/89/56/969618956.db2.gz VOLKSIPSQZBJCJ-JTQLQIEISA-N 1 2 243.372 1.770 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001254559378 969735718 /nfs/dbraw/zinc/73/57/18/969735718.db2.gz ZYFVGRYFHLMEJN-LBPRGKRZSA-N 1 2 233.315 1.562 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001254559378 969735723 /nfs/dbraw/zinc/73/57/23/969735723.db2.gz ZYFVGRYFHLMEJN-LBPRGKRZSA-N 1 2 233.315 1.562 20 30 BDEDLO CCOC(=O)C[N@H+](CC)[C@H]1CC[C@H](C#N)C1 ZINC001254673467 969781428 /nfs/dbraw/zinc/78/14/28/969781428.db2.gz LFYQQVGQSQDGKD-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)C[N@@H+](CC)[C@H]1CC[C@H](C#N)C1 ZINC001254673467 969781434 /nfs/dbraw/zinc/78/14/34/969781434.db2.gz LFYQQVGQSQDGKD-QWRGUYRKSA-N 1 2 224.304 1.564 20 30 BDEDLO Cc1cnc(NC[C@H]2COCC[N@H+]2C)cc1C#N ZINC001169652180 969800600 /nfs/dbraw/zinc/80/06/00/969800600.db2.gz DTVNEUDXBMKLDA-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cnc(NC[C@H]2COCC[N@@H+]2C)cc1C#N ZINC001169652180 969800603 /nfs/dbraw/zinc/80/06/03/969800603.db2.gz DTVNEUDXBMKLDA-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO C#C[C@@](C)(CC)Nc1cc2c(c[nH+]1)CC(=O)N2 ZINC001169693935 969813398 /nfs/dbraw/zinc/81/33/98/969813398.db2.gz ZHFSIDTZLDMNAY-ZDUSSCGKSA-N 1 2 229.283 1.790 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]cc(OC)c2cc[nH]c21 ZINC001169779269 969852038 /nfs/dbraw/zinc/85/20/38/969852038.db2.gz BBJYDHMEYSIHLN-QMMMGPOBSA-N 1 2 233.271 1.530 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169934186 969886015 /nfs/dbraw/zinc/88/60/15/969886015.db2.gz FGBZOBVULCFMEI-RYUDHWBXSA-N 1 2 236.315 1.660 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169934186 969886019 /nfs/dbraw/zinc/88/60/19/969886019.db2.gz FGBZOBVULCFMEI-RYUDHWBXSA-N 1 2 236.315 1.660 20 30 BDEDLO C#Cc1cc(Nc2cccc3c2OCO3)cc[nH+]1 ZINC001210556319 969935283 /nfs/dbraw/zinc/93/52/83/969935283.db2.gz FKHKEBNWGGGMNG-UHFFFAOYSA-N 1 2 238.246 1.957 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC)ccn1 ZINC001255152910 969959365 /nfs/dbraw/zinc/95/93/65/969959365.db2.gz IOBWDRHGRVDGEY-LLVKDONJSA-N 1 2 247.298 1.650 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001255176842 969991389 /nfs/dbraw/zinc/99/13/89/969991389.db2.gz GUHWOWOXASGRQN-NEPJUHHUSA-N 1 2 246.314 1.622 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001255176842 969991395 /nfs/dbraw/zinc/99/13/95/969991395.db2.gz GUHWOWOXASGRQN-NEPJUHHUSA-N 1 2 246.314 1.622 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCOC(C)C)CC1 ZINC001112625955 970122759 /nfs/dbraw/zinc/12/27/59/970122759.db2.gz NCZNEVYPFQQBFC-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO Cc1cc(C)c(-n2ccc(C#N)c2N)c[nH+]1 ZINC001213508298 970329491 /nfs/dbraw/zinc/32/94/91/970329491.db2.gz PCBOYEZNDQHCPW-UHFFFAOYSA-N 1 2 212.256 1.943 20 30 BDEDLO N#CCc1cc[nH+]c(N[C@H]2C[C@@H](CO)C2)c1 ZINC001157460361 970331367 /nfs/dbraw/zinc/33/13/67/970331367.db2.gz HNDPJLWXCDQSHT-PHIMTYICSA-N 1 2 217.272 1.330 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001113493825 970450149 /nfs/dbraw/zinc/45/01/49/970450149.db2.gz WCHQPTVHSHIYHO-UHFFFAOYSA-N 1 2 248.370 1.734 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC001256238949 970722677 /nfs/dbraw/zinc/72/26/77/970722677.db2.gz VJACYSMEZODLFJ-NSHDSACASA-N 1 2 249.314 1.133 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC001256238949 970722683 /nfs/dbraw/zinc/72/26/83/970722683.db2.gz VJACYSMEZODLFJ-NSHDSACASA-N 1 2 249.314 1.133 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(CSC3)C2)nc1 ZINC001144166849 972658133 /nfs/dbraw/zinc/65/81/33/972658133.db2.gz ZJYMROFPNOTYCV-UHFFFAOYSA-N 1 2 231.324 1.502 20 30 BDEDLO O=C(C#CC1CC1)NCCCCn1cc[nH+]c1 ZINC001144214089 972680662 /nfs/dbraw/zinc/68/06/62/972680662.db2.gz POJWYOQFFOOOBR-UHFFFAOYSA-N 1 2 231.299 1.193 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001144567923 972874689 /nfs/dbraw/zinc/87/46/89/972874689.db2.gz DYKZDFJJGGHUNU-UHFFFAOYSA-N 1 2 245.347 1.232 20 30 BDEDLO C=CC[N@@H+](C)Cc1ncn2ccccc12 ZINC001144624582 972888723 /nfs/dbraw/zinc/88/87/23/972888723.db2.gz LGJQEYQUHMFIQA-UHFFFAOYSA-N 1 2 201.273 1.952 20 30 BDEDLO C=CC[N@H+](C)Cc1ncn2ccccc12 ZINC001144624582 972888725 /nfs/dbraw/zinc/88/87/25/972888725.db2.gz LGJQEYQUHMFIQA-UHFFFAOYSA-N 1 2 201.273 1.952 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328328291 972961459 /nfs/dbraw/zinc/96/14/59/972961459.db2.gz LMWIKJNKJIEVFQ-ZYHUDNBSSA-N 1 2 219.288 1.362 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2=CCCCC2)CC1 ZINC001146714152 973232515 /nfs/dbraw/zinc/23/25/15/973232515.db2.gz LGEDFALEHWRDHF-UHFFFAOYSA-N 1 2 234.343 1.817 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001276916753 973248218 /nfs/dbraw/zinc/24/82/18/973248218.db2.gz VTAHNZSIZAASIP-ZDUSSCGKSA-N 1 2 246.354 1.557 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001276916753 973248233 /nfs/dbraw/zinc/24/82/33/973248233.db2.gz VTAHNZSIZAASIP-ZDUSSCGKSA-N 1 2 246.354 1.557 20 30 BDEDLO O=C(C#Cc1cccs1)NCCc1[nH]cc[nH+]1 ZINC001146982118 973353135 /nfs/dbraw/zinc/35/31/35/973353135.db2.gz YEYNIWGGWFJOOX-UHFFFAOYSA-N 1 2 245.307 1.182 20 30 BDEDLO C#CCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093580322 974031318 /nfs/dbraw/zinc/03/13/18/974031318.db2.gz LAYQPIXNGSISSF-UHFFFAOYSA-N 1 2 246.314 1.117 20 30 BDEDLO Cc1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001225480423 974519815 /nfs/dbraw/zinc/51/98/15/974519815.db2.gz LXSAEJGMBALLCV-VSSGSJIUSA-N 1 2 246.310 1.381 20 30 BDEDLO Cc1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001225480423 974519821 /nfs/dbraw/zinc/51/98/21/974519821.db2.gz LXSAEJGMBALLCV-VSSGSJIUSA-N 1 2 246.310 1.381 20 30 BDEDLO Cc1ccn(C[N@@H+]2CC[C@@H](CF)C2)c(=O)c1C#N ZINC001331035161 974568092 /nfs/dbraw/zinc/56/80/92/974568092.db2.gz CFEJYXOURFPGNJ-NSHDSACASA-N 1 2 249.289 1.277 20 30 BDEDLO Cc1ccn(C[N@H+]2CC[C@@H](CF)C2)c(=O)c1C#N ZINC001331035161 974568106 /nfs/dbraw/zinc/56/81/06/974568106.db2.gz CFEJYXOURFPGNJ-NSHDSACASA-N 1 2 249.289 1.277 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1ccc(F)c(F)c1O ZINC001331065425 974580930 /nfs/dbraw/zinc/58/09/30/974580930.db2.gz BZAUBQDOMCPCPD-VIFPVBQESA-N 1 2 243.253 1.961 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C#N)CC1 ZINC001172800412 974952506 /nfs/dbraw/zinc/95/25/06/974952506.db2.gz RXZIFFDHAHRXRY-GMTAPVOTSA-N 1 2 224.304 1.610 20 30 BDEDLO C[C@H]1C[C@H]([N@@H+]2CCCC[C@H]2C#N)CCO1 ZINC001173174029 975054099 /nfs/dbraw/zinc/05/40/99/975054099.db2.gz ZSQSASSZFYUHMU-TUAOUCFPSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@H]1C[C@H]([N@H+]2CCCC[C@H]2C#N)CCO1 ZINC001173174029 975054103 /nfs/dbraw/zinc/05/41/03/975054103.db2.gz ZSQSASSZFYUHMU-TUAOUCFPSA-N 1 2 208.305 1.932 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1ncccn1 ZINC001332683070 975248106 /nfs/dbraw/zinc/24/81/06/975248106.db2.gz DGBRIDNPQIYNIS-NSHDSACASA-N 1 2 215.300 1.883 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1ncccn1 ZINC001332683070 975248113 /nfs/dbraw/zinc/24/81/13/975248113.db2.gz DGBRIDNPQIYNIS-NSHDSACASA-N 1 2 215.300 1.883 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@H]2CCCSC2)n1C ZINC001333218129 975570412 /nfs/dbraw/zinc/57/04/12/975570412.db2.gz DYIJMMZMSWNAIP-JTQLQIEISA-N 1 2 238.360 1.548 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173773106 975604807 /nfs/dbraw/zinc/60/48/07/975604807.db2.gz ZMVYWVFOHLZZKE-VWYCJHECSA-N 1 2 234.307 1.001 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173773106 975604812 /nfs/dbraw/zinc/60/48/12/975604812.db2.gz ZMVYWVFOHLZZKE-VWYCJHECSA-N 1 2 234.307 1.001 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1cc(COC)on1 ZINC001333585890 975871842 /nfs/dbraw/zinc/87/18/42/975871842.db2.gz AWCPKPKPHUNXDP-VIFPVBQESA-N 1 2 226.276 1.112 20 30 BDEDLO C[NH+]1CC(Oc2cccc3ccc(C#N)nc32)C1 ZINC001228413439 976195792 /nfs/dbraw/zinc/19/57/92/976195792.db2.gz ZZDBTBRAZDJMIF-UHFFFAOYSA-N 1 2 239.278 1.799 20 30 BDEDLO C#Cc1cc(Nc2cnccc2C)cc[nH+]1 ZINC001174115455 976327343 /nfs/dbraw/zinc/32/73/43/976327343.db2.gz FJSCTDRDTFAHNE-UHFFFAOYSA-N 1 2 209.252 1.932 20 30 BDEDLO C#Cc1cc(Nc2ccc(C)nc2)cc[nH+]1 ZINC001174280923 976433945 /nfs/dbraw/zinc/43/39/45/976433945.db2.gz VBYISMRLRFDQLK-UHFFFAOYSA-N 1 2 209.252 1.932 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1nn(CC)nc1C ZINC001334388607 976484465 /nfs/dbraw/zinc/48/44/65/976484465.db2.gz YLLRTGAODNVNJI-GXSJLCMTSA-N 1 2 238.335 1.458 20 30 BDEDLO CC[NH+]1CC(Oc2ccccc2CC#N)C1 ZINC001230272748 977153893 /nfs/dbraw/zinc/15/38/93/977153893.db2.gz QFZJCZJVMMCTKB-UHFFFAOYSA-N 1 2 216.284 1.836 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C#N)C1 ZINC000260221812 977338267 /nfs/dbraw/zinc/33/82/67/977338267.db2.gz WALTYIYVGRKCSW-SNVBAGLBSA-N 1 2 204.277 1.372 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C#N)C1 ZINC000260221812 977338274 /nfs/dbraw/zinc/33/82/74/977338274.db2.gz WALTYIYVGRKCSW-SNVBAGLBSA-N 1 2 204.277 1.372 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2ncco2)CC1 ZINC000260283317 977375910 /nfs/dbraw/zinc/37/59/10/977375910.db2.gz YLSBIAUVCOPBOZ-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ncco2)CC1 ZINC000260283317 977375916 /nfs/dbraw/zinc/37/59/16/977375916.db2.gz YLSBIAUVCOPBOZ-SNVBAGLBSA-N 1 2 205.261 1.800 20 30 BDEDLO O=C1C=C[C@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230921626 977382123 /nfs/dbraw/zinc/38/21/23/977382123.db2.gz PTLJCTNUQOUYGK-LBPRGKRZSA-N 1 2 243.262 1.644 20 30 BDEDLO C#Cc1cccc(C[NH+]2CC(OCCOC)C2)c1 ZINC001231664939 977678045 /nfs/dbraw/zinc/67/80/45/977678045.db2.gz ZTZJSXYXDKGBEQ-UHFFFAOYSA-N 1 2 245.322 1.515 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCOC)C1 ZINC001277564734 977744192 /nfs/dbraw/zinc/74/41/92/977744192.db2.gz MSLAPFITAHCGMD-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC001231906768 977790962 /nfs/dbraw/zinc/79/09/62/977790962.db2.gz HIDDOVNTQKJNJH-NSHDSACASA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC001231906768 977790971 /nfs/dbraw/zinc/79/09/71/977790971.db2.gz HIDDOVNTQKJNJH-NSHDSACASA-N 1 2 226.283 1.908 20 30 BDEDLO N#Cc1cn(-c2[nH]cc[nH+]2)c2cc(N)ccc12 ZINC001176085784 977890908 /nfs/dbraw/zinc/89/09/08/977890908.db2.gz ZBMMAPYQPJLVAH-UHFFFAOYSA-N 1 2 223.239 1.807 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc2ccncc2[nH]1 ZINC001232096902 977891530 /nfs/dbraw/zinc/89/15/30/977891530.db2.gz LRMZQMMDXROTDT-UHFFFAOYSA-N 1 2 223.279 1.631 20 30 BDEDLO COCn1ncc(C)c1C[NH2+]CC1(C#N)CC1 ZINC001336808508 977975775 /nfs/dbraw/zinc/97/57/75/977975775.db2.gz UWUCMLHQHSXVCP-UHFFFAOYSA-N 1 2 234.303 1.189 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232549044 978172910 /nfs/dbraw/zinc/17/29/10/978172910.db2.gz QUJQJZPKRNOVHZ-ZDUSSCGKSA-N 1 2 241.298 1.645 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232549044 978172921 /nfs/dbraw/zinc/17/29/21/978172921.db2.gz QUJQJZPKRNOVHZ-ZDUSSCGKSA-N 1 2 241.298 1.645 20 30 BDEDLO CC(=O)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678014 978242645 /nfs/dbraw/zinc/24/26/45/978242645.db2.gz OHKADMLLUCQEJG-LBPRGKRZSA-N 1 2 244.294 1.675 20 30 BDEDLO CC(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678014 978242657 /nfs/dbraw/zinc/24/26/57/978242657.db2.gz OHKADMLLUCQEJG-LBPRGKRZSA-N 1 2 244.294 1.675 20 30 BDEDLO CC[C@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678626 978246527 /nfs/dbraw/zinc/24/65/27/978246527.db2.gz KQJVYDYEMGPXTK-ZDUSSCGKSA-N 1 2 246.310 1.875 20 30 BDEDLO CC[C@H]1COCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678626 978246539 /nfs/dbraw/zinc/24/65/39/978246539.db2.gz KQJVYDYEMGPXTK-ZDUSSCGKSA-N 1 2 246.310 1.875 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001232922804 978334089 /nfs/dbraw/zinc/33/40/89/978334089.db2.gz LZRPPGIHIKENGD-TVYUQYBPSA-N 1 2 231.274 1.743 20 30 BDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001232922804 978334097 /nfs/dbraw/zinc/33/40/97/978334097.db2.gz LZRPPGIHIKENGD-TVYUQYBPSA-N 1 2 231.274 1.743 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001233043815 978428035 /nfs/dbraw/zinc/42/80/35/978428035.db2.gz MYLUHGGTKFDZIO-BXUZGUMPSA-N 1 2 245.326 1.887 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001233043815 978428042 /nfs/dbraw/zinc/42/80/42/978428042.db2.gz MYLUHGGTKFDZIO-BXUZGUMPSA-N 1 2 245.326 1.887 20 30 BDEDLO CC(=O)[C@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048308 978434436 /nfs/dbraw/zinc/43/44/36/978434436.db2.gz DECFFCPMRQJNCD-NSHDSACASA-N 1 2 217.272 1.297 20 30 BDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C#N)CC1 ZINC001233083839 978465733 /nfs/dbraw/zinc/46/57/33/978465733.db2.gz DQDWNZYHKXPAFL-UHFFFAOYSA-N 1 2 240.310 1.465 20 30 BDEDLO C[C@H](C(=O)NCC(C)(C)S)n1cc[nH+]c1 ZINC001177926622 978467161 /nfs/dbraw/zinc/46/71/61/978467161.db2.gz GYYBSSHYIKUYFQ-MRVPVSSYSA-N 1 2 227.333 1.269 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233624067 978650874 /nfs/dbraw/zinc/65/08/74/978650874.db2.gz WGRCPPVUAUFHCA-NSHDSACASA-N 1 2 238.306 1.416 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233624067 978650878 /nfs/dbraw/zinc/65/08/78/978650878.db2.gz WGRCPPVUAUFHCA-NSHDSACASA-N 1 2 238.306 1.416 20 30 BDEDLO N#C[C@H]1CCCCN1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181258368 979024969 /nfs/dbraw/zinc/02/49/69/979024969.db2.gz YIUHWXXSEFEABY-LLVKDONJSA-N 1 2 244.298 1.111 20 30 BDEDLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC001342000967 979619756 /nfs/dbraw/zinc/61/97/56/979619756.db2.gz GFSXFMBBMILAPV-LLVKDONJSA-N 1 2 249.358 1.669 20 30 BDEDLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC001342000967 979619763 /nfs/dbraw/zinc/61/97/63/979619763.db2.gz GFSXFMBBMILAPV-LLVKDONJSA-N 1 2 249.358 1.669 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001342693692 979868786 /nfs/dbraw/zinc/86/87/86/979868786.db2.gz UEKMVASOOJRKCE-RYUDHWBXSA-N 1 2 231.299 1.458 20 30 BDEDLO C=C(C)CNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183934698 979903198 /nfs/dbraw/zinc/90/31/98/979903198.db2.gz MDOAZTTYOYKYHK-UHFFFAOYSA-N 1 2 219.288 1.289 20 30 BDEDLO N#CC1(NC(=O)CCc2ccc(N)[nH+]c2)CCC1 ZINC001183929637 979908727 /nfs/dbraw/zinc/90/87/27/979908727.db2.gz QQSWGBSWYNCNNO-UHFFFAOYSA-N 1 2 244.298 1.159 20 30 BDEDLO N#Cc1ccc2nc(C[NH+]3CC=CC3)cn2c1 ZINC001237609596 979972706 /nfs/dbraw/zinc/97/27/06/979972706.db2.gz VDQUNJCQKUPMSS-UHFFFAOYSA-N 1 2 224.267 1.578 20 30 BDEDLO C#CCOCCN(C)Cc1cc(OC)cc(C)[nH+]1 ZINC001345030808 980526560 /nfs/dbraw/zinc/52/65/60/980526560.db2.gz VITMLQYZHCJPKI-UHFFFAOYSA-N 1 2 248.326 1.480 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(C)c2)CC1 ZINC001188191389 980616640 /nfs/dbraw/zinc/61/66/40/980616640.db2.gz FOJSGYZBTQZCDK-UHFFFAOYSA-N 1 2 233.315 1.267 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)CCc1[nH+]ccn1C ZINC001346386653 980823823 /nfs/dbraw/zinc/82/38/23/980823823.db2.gz LTHVSKWGTCBESO-GFCCVEGCSA-N 1 2 234.303 1.161 20 30 BDEDLO C#C[C@@H](C)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190107967 980846742 /nfs/dbraw/zinc/84/67/42/980846742.db2.gz WNFSCDGSVRQQMD-LLVKDONJSA-N 1 2 239.278 1.624 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCCC12CC2)C(=O)OC ZINC001347396544 981059285 /nfs/dbraw/zinc/05/92/85/981059285.db2.gz XVZKZMCXRVDSQW-WDEREUQCSA-N 1 2 221.300 1.474 20 30 BDEDLO N#Cc1ncncc1-c1ccc2[nH+]ccn2c1 ZINC001240219205 981169003 /nfs/dbraw/zinc/16/90/03/981169003.db2.gz FTBSDVHNCZPABG-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO C#CC[C@@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC001348225695 981312823 /nfs/dbraw/zinc/31/28/23/981312823.db2.gz UKGNJFLSDUDZLC-SNVBAGLBSA-N 1 2 216.288 1.299 20 30 BDEDLO N#Cc1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240496303 981418672 /nfs/dbraw/zinc/41/86/72/981418672.db2.gz LKVNJHKKYNHPBY-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#Cc1ncncc1-c1ccn2cc[nH+]c2c1 ZINC001240509416 981433091 /nfs/dbraw/zinc/43/30/91/981433091.db2.gz YWTKTIDVMTUZSJ-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC001349100696 981507419 /nfs/dbraw/zinc/50/74/19/981507419.db2.gz XTUPJEHBXLUOMF-AWEZNQCLSA-N 1 2 243.310 1.730 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC001349100696 981507424 /nfs/dbraw/zinc/50/74/24/981507424.db2.gz XTUPJEHBXLUOMF-AWEZNQCLSA-N 1 2 243.310 1.730 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(C#N)cn1 ZINC001241228403 982381219 /nfs/dbraw/zinc/38/12/19/982381219.db2.gz LAXRKTCDRDDNON-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](C#N)C1 ZINC001352970959 982650649 /nfs/dbraw/zinc/65/06/49/982650649.db2.gz UVWBRPIXHWLRDN-NSHDSACASA-N 1 2 246.314 1.115 20 30 BDEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c(O)c1 ZINC001201293270 983159035 /nfs/dbraw/zinc/15/90/35/983159035.db2.gz ZYWMSXDSCJRSAU-UHFFFAOYSA-N 1 2 226.239 1.985 20 30 BDEDLO N#Cc1ccnnc1Nc1ccc(N)[nH+]c1 ZINC001201278851 983178593 /nfs/dbraw/zinc/17/85/93/983178593.db2.gz OSDLQPQFIXXRSE-UHFFFAOYSA-N 1 2 212.216 1.069 20 30 BDEDLO CC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001201590044 983354724 /nfs/dbraw/zinc/35/47/24/983354724.db2.gz JFNFBEUVDHFBDM-UHFFFAOYSA-N 1 2 202.257 1.641 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000848280062 983377880 /nfs/dbraw/zinc/37/78/80/983377880.db2.gz UVCLPTTXXOECHT-NSHDSACASA-N 1 2 231.299 1.132 20 30 BDEDLO C=CCNC(=O)C[NH2+]Cc1nc2ccccc2o1 ZINC001201685867 983439760 /nfs/dbraw/zinc/43/97/60/983439760.db2.gz WBNPJJNWUDBCAO-UHFFFAOYSA-N 1 2 245.282 1.220 20 30 BDEDLO CCn1c[nH+]cc1CNc1n[nH]cc1C#N ZINC001202328688 983633763 /nfs/dbraw/zinc/63/37/63/983633763.db2.gz KHAFWBYKCXNRNT-UHFFFAOYSA-N 1 2 216.248 1.110 20 30 BDEDLO C=C[C@@](C)(O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252539111 983804354 /nfs/dbraw/zinc/80/43/54/983804354.db2.gz PNVGNSYYFCEICV-GFCCVEGCSA-N 1 2 221.304 1.497 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@@H](O)CCC)C(=O)OC ZINC001252808915 983905769 /nfs/dbraw/zinc/90/57/69/983905769.db2.gz WXKDFCBIIZSLAD-CMPLNLGQSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C[C@@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001253564346 984220971 /nfs/dbraw/zinc/22/09/71/984220971.db2.gz DJGVUBRRUJYWNZ-GFCCVEGCSA-N 1 2 206.289 1.711 20 30 BDEDLO Cc1cc(NC(=O)c2csc(C#N)c2)cc[nH+]1 ZINC001435756702 984300060 /nfs/dbraw/zinc/30/00/60/984300060.db2.gz CRVJDARXHZRITG-UHFFFAOYSA-N 1 2 243.291 1.997 20 30 BDEDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC001445581442 984603133 /nfs/dbraw/zinc/60/31/33/984603133.db2.gz GAMBILWPZIOJQK-NSHDSACASA-N 1 2 244.298 1.180 20 30 BDEDLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC001445581442 984603141 /nfs/dbraw/zinc/60/31/41/984603141.db2.gz GAMBILWPZIOJQK-NSHDSACASA-N 1 2 244.298 1.180 20 30 BDEDLO CC#CC(=O)NCc1c[nH+]c(C)cc1C ZINC001451435776 984892641 /nfs/dbraw/zinc/89/26/41/984892641.db2.gz CYIIEBHDRWIAMG-UHFFFAOYSA-N 1 2 202.257 1.338 20 30 BDEDLO Cc1[nH]c([C@H]2CCCN2C(=O)[C@H](C)C#N)[nH+]c1C ZINC001455758415 985088647 /nfs/dbraw/zinc/08/86/47/985088647.db2.gz CBSKYACWJQIQKE-LDYMZIIASA-N 1 2 246.314 1.850 20 30 BDEDLO C#CCCCCCN1CC[NH+](C2CC2)CC1 ZINC000686675790 985199653 /nfs/dbraw/zinc/19/96/53/985199653.db2.gz GEQIHIGXWQEQKJ-UHFFFAOYSA-N 1 2 220.360 1.960 20 30 BDEDLO CC[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779879447 985767161 /nfs/dbraw/zinc/76/71/61/985767161.db2.gz UYUPENAILFCPNV-GFCCVEGCSA-N 1 2 249.358 1.828 20 30 BDEDLO C=C[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001253571890 986090938 /nfs/dbraw/zinc/09/09/38/986090938.db2.gz KNTKAFPXQZPFHN-WCBMZHEXSA-N 1 2 208.261 1.094 20 30 BDEDLO CC(C)(CC#N)C[NH2+]Cc1csnn1 ZINC001462326230 986350156 /nfs/dbraw/zinc/35/01/56/986350156.db2.gz KFBDTZOLKQGPSC-UHFFFAOYSA-N 1 2 210.306 1.568 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001464574545 986646946 /nfs/dbraw/zinc/64/69/46/986646946.db2.gz UGEMCAVZDSTCRM-WDEREUQCSA-N 1 2 246.314 1.254 20 30 BDEDLO CC[N@@H+]1CC[C@H]1C(=O)NC1(C#N)CCCC1 ZINC001464950008 986675945 /nfs/dbraw/zinc/67/59/45/986675945.db2.gz ZCEHKPJUHYOEPY-JTQLQIEISA-N 1 2 221.304 1.033 20 30 BDEDLO CC[N@H+]1CC[C@H]1C(=O)NC1(C#N)CCCC1 ZINC001464950008 986675951 /nfs/dbraw/zinc/67/59/51/986675951.db2.gz ZCEHKPJUHYOEPY-JTQLQIEISA-N 1 2 221.304 1.033 20 30 BDEDLO CC(C)(C)N1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC001254670402 986722690 /nfs/dbraw/zinc/72/26/90/986722690.db2.gz JGINQPBJXBIGJB-RYUDHWBXSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)(C)N1CC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC001254670402 986722698 /nfs/dbraw/zinc/72/26/98/986722698.db2.gz JGINQPBJXBIGJB-RYUDHWBXSA-N 1 2 249.358 1.621 20 30 BDEDLO C=CC[NH+]1CCN(C(=S)NCC(C)C)CC1 ZINC001245213260 986732387 /nfs/dbraw/zinc/73/23/87/986732387.db2.gz IKIJCUQNRNIHCI-UHFFFAOYSA-N 1 2 241.404 1.321 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1ccc(O)cc1 ZINC001255163880 986837910 /nfs/dbraw/zinc/83/79/10/986837910.db2.gz ISVJUILCHBFEGN-AAEUAGOBSA-N 1 2 234.299 1.707 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001255175620 986869687 /nfs/dbraw/zinc/86/96/87/986869687.db2.gz SAYVXUYVJOFOAV-PWSUYJOCSA-N 1 2 237.303 1.253 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001255175620 986869693 /nfs/dbraw/zinc/86/96/93/986869693.db2.gz SAYVXUYVJOFOAV-PWSUYJOCSA-N 1 2 237.303 1.253 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001255175619 986871173 /nfs/dbraw/zinc/87/11/73/986871173.db2.gz SAYVXUYVJOFOAV-JQWIXIFHSA-N 1 2 237.303 1.253 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001255175619 986871178 /nfs/dbraw/zinc/87/11/78/986871178.db2.gz SAYVXUYVJOFOAV-JQWIXIFHSA-N 1 2 237.303 1.253 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001255175621 986871261 /nfs/dbraw/zinc/87/12/61/986871261.db2.gz SAYVXUYVJOFOAV-ZYHUDNBSSA-N 1 2 237.303 1.253 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001255175621 986871265 /nfs/dbraw/zinc/87/12/65/986871265.db2.gz SAYVXUYVJOFOAV-ZYHUDNBSSA-N 1 2 237.303 1.253 20 30 BDEDLO Cc1cc(-c2c[nH+]c(N)c(C)c2)nc(C#N)n1 ZINC001245535316 986908881 /nfs/dbraw/zinc/90/88/81/986908881.db2.gz IINCDNIHQDYJBX-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H](C)COC)[C@@H](C)CC ZINC001255558085 987010830 /nfs/dbraw/zinc/01/08/30/987010830.db2.gz AUUQHPGPICXLKH-SRVKXCTJSA-N 1 2 243.347 1.755 20 30 BDEDLO C#CCCCCC(=O)NCCCCn1cc[nH+]c1 ZINC000692852407 987297874 /nfs/dbraw/zinc/29/78/74/987297874.db2.gz BUAFDUKEMKMTPR-UHFFFAOYSA-N 1 2 247.342 1.973 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001115954870 987418278 /nfs/dbraw/zinc/41/82/78/987418278.db2.gz AGSBUYHIZQEVPF-UWVGGRQHSA-N 1 2 220.276 1.253 20 30 BDEDLO C=C[C@H](COC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001118240733 988140800 /nfs/dbraw/zinc/14/08/00/988140800.db2.gz SWZIGYJKAPGGSW-GHMZBOCLSA-N 1 2 237.303 1.151 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(CCCC)CC2)C1 ZINC001494441054 988144237 /nfs/dbraw/zinc/14/42/37/988144237.db2.gz 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Cc1cc(C[NH2+]CC2(C#N)CCC2)on1 ZINC000602699093 349695084 /nfs/dbraw/zinc/69/50/84/349695084.db2.gz QRSFDOYWIYHWCM-UHFFFAOYSA-N 1 2 205.261 1.767 20 30 BDEDLO N#Cc1cccc(C[NH2+]CC2(C#N)CCC2)n1 ZINC000602697055 349693354 /nfs/dbraw/zinc/69/33/54/349693354.db2.gz TZMBGIQZDBSUHL-UHFFFAOYSA-N 1 2 226.283 1.737 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC1(C#N)CC1 ZINC000493463378 529559097 /nfs/dbraw/zinc/55/90/97/529559097.db2.gz XCHCWTNPRGEJBQ-ARJAWSKDSA-N 1 2 244.298 1.336 20 30 BDEDLO C=C(C)C[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000602734595 349719602 /nfs/dbraw/zinc/71/96/02/349719602.db2.gz PQMPVMMPDVNNDL-LBPRGKRZSA-N 1 2 236.315 1.623 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OC ZINC000602740420 349709018 /nfs/dbraw/zinc/70/90/18/349709018.db2.gz VXGSKQBMUFFTFC-SDDRHHMPSA-N 1 2 241.331 1.651 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC000602771394 349726002 /nfs/dbraw/zinc/72/60/02/349726002.db2.gz IPKJZUYWYQNTSD-PWSUYJOCSA-N 1 2 235.331 1.231 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC000602771394 349726004 /nfs/dbraw/zinc/72/60/04/349726004.db2.gz IPKJZUYWYQNTSD-PWSUYJOCSA-N 1 2 235.331 1.231 20 30 BDEDLO CCOC(=O)C(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000602773596 349727313 /nfs/dbraw/zinc/72/73/13/349727313.db2.gz SRGTXJHLNBHYRX-UHFFFAOYSA-N 1 2 224.304 1.612 20 30 BDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000331949183 136263330 /nfs/dbraw/zinc/26/33/30/136263330.db2.gz KGQBRITZRBJFNV-NEPJUHHUSA-N 1 2 238.331 1.152 20 30 BDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000331949183 136263331 /nfs/dbraw/zinc/26/33/31/136263331.db2.gz KGQBRITZRBJFNV-NEPJUHHUSA-N 1 2 238.331 1.152 20 30 BDEDLO Cc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)c(F)c1 ZINC000602859801 349770603 /nfs/dbraw/zinc/77/06/03/349770603.db2.gz ASCYMPMPWPPNFH-SNVBAGLBSA-N 1 2 249.289 1.964 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](CCc2cnccn2)C1 ZINC000602807997 349770737 /nfs/dbraw/zinc/77/07/37/349770737.db2.gz XSGSOHNQFKGQDY-CYBMUJFWSA-N 1 2 230.315 1.645 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](CCc2cnccn2)C1 ZINC000602807997 349770740 /nfs/dbraw/zinc/77/07/40/349770740.db2.gz XSGSOHNQFKGQDY-CYBMUJFWSA-N 1 2 230.315 1.645 20 30 BDEDLO Cn1cc(C2=CCC[N@H+](CC3(C#N)CC3)C2)cn1 ZINC000602881513 349791914 /nfs/dbraw/zinc/79/19/14/349791914.db2.gz FNGSWQNOAZLIAS-UHFFFAOYSA-N 1 2 242.326 1.813 20 30 BDEDLO Cn1cc(C2=CCC[N@@H+](CC3(C#N)CC3)C2)cn1 ZINC000602881513 349791915 /nfs/dbraw/zinc/79/19/15/349791915.db2.gz FNGSWQNOAZLIAS-UHFFFAOYSA-N 1 2 242.326 1.813 20 30 BDEDLO N#CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352682935 136264320 /nfs/dbraw/zinc/26/43/20/136264320.db2.gz RPUWJMYFJZJBQI-BDAKNGLRSA-N 1 2 236.237 1.393 20 30 BDEDLO N#CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352682935 136264321 /nfs/dbraw/zinc/26/43/21/136264321.db2.gz RPUWJMYFJZJBQI-BDAKNGLRSA-N 1 2 236.237 1.393 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)CCn1cc[nH+]c1 ZINC000608823112 343068717 /nfs/dbraw/zinc/06/87/17/343068717.db2.gz BZKHOZLRVBNPFD-NSHDSACASA-N 1 2 234.303 1.328 20 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BDEDLO C[C@H](CNC(=O)CCCC#N)Cn1cc[nH+]c1 ZINC000291965296 136288954 /nfs/dbraw/zinc/28/89/54/136288954.db2.gz PLDUSOIMFSGSIT-LLVKDONJSA-N 1 2 234.303 1.329 20 30 BDEDLO C[N@H+](Cc1ccon1)[C@@H]1CC[C@H](C#N)C1 ZINC000293093243 136289268 /nfs/dbraw/zinc/28/92/68/136289268.db2.gz NIOXVAXIJWJEGK-GXSJLCMTSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CC[C@H](C#N)C1 ZINC000293093243 136289269 /nfs/dbraw/zinc/28/92/69/136289269.db2.gz NIOXVAXIJWJEGK-GXSJLCMTSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000034674310 343276994 /nfs/dbraw/zinc/27/69/94/343276994.db2.gz OIHJULYGCCVCFW-CYBMUJFWSA-N 1 2 229.283 1.437 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000034674310 343276996 /nfs/dbraw/zinc/27/69/96/343276996.db2.gz OIHJULYGCCVCFW-CYBMUJFWSA-N 1 2 229.283 1.437 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283507779 136286970 /nfs/dbraw/zinc/28/69/70/136286970.db2.gz PMMYADUCEBGEGZ-NWALNABHSA-N 1 2 218.260 1.041 20 30 BDEDLO N#CCCCCNC(=O)CCCn1cc[nH+]c1 ZINC000609141867 343317701 /nfs/dbraw/zinc/31/77/01/343317701.db2.gz ZSGPZNIVNFPJLL-UHFFFAOYSA-N 1 2 234.303 1.473 20 30 BDEDLO CC(C)(C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354419 343421779 /nfs/dbraw/zinc/42/17/79/343421779.db2.gz GFPYPXWXQFFMLK-UHFFFAOYSA-N 1 2 245.282 1.221 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)o1)C[C@@H](O)C(F)(F)F ZINC000349413741 136345087 /nfs/dbraw/zinc/34/50/87/136345087.db2.gz DVLRGBTXVXGQBJ-SECBINFHSA-N 1 2 248.204 1.506 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)o1)C[C@@H](O)C(F)(F)F ZINC000349413741 136345088 /nfs/dbraw/zinc/34/50/88/136345088.db2.gz DVLRGBTXVXGQBJ-SECBINFHSA-N 1 2 248.204 1.506 20 30 BDEDLO C[C@](O)(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329386425 136365600 /nfs/dbraw/zinc/36/56/00/136365600.db2.gz PRSCMTAICGHRCP-TVQRCGJNSA-N 1 2 249.314 1.385 20 30 BDEDLO C[C@](O)(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329386425 136365601 /nfs/dbraw/zinc/36/56/01/136365601.db2.gz PRSCMTAICGHRCP-TVQRCGJNSA-N 1 2 249.314 1.385 20 30 BDEDLO CO[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000602897872 349814699 /nfs/dbraw/zinc/81/46/99/349814699.db2.gz LWQXMOPLMRVJBQ-JTQLQIEISA-N 1 2 212.293 1.231 20 30 BDEDLO CO[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000602897872 349814703 /nfs/dbraw/zinc/81/47/03/349814703.db2.gz LWQXMOPLMRVJBQ-JTQLQIEISA-N 1 2 212.293 1.231 20 30 BDEDLO Cc1ccc(C#N)c(NCc2c[nH+]cn2C)n1 ZINC000291083161 349815730 /nfs/dbraw/zinc/81/57/30/349815730.db2.gz IMMYYUIAASPLAW-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO CN(C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977166 349842416 /nfs/dbraw/zinc/84/24/16/349842416.db2.gz YSPVWJZOZUUZLS-PWSUYJOCSA-N 1 2 235.331 1.231 20 30 BDEDLO CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977166 349842418 /nfs/dbraw/zinc/84/24/18/349842418.db2.gz YSPVWJZOZUUZLS-PWSUYJOCSA-N 1 2 235.331 1.231 20 30 BDEDLO C[N@H+](Cc1ccno1)[C@@H]1CCC[C@H]1C#N ZINC000602976324 349841326 /nfs/dbraw/zinc/84/13/26/349841326.db2.gz OCROLSZMSCJGNN-GXSJLCMTSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccno1)[C@@H]1CCC[C@H]1C#N ZINC000602976324 349841329 /nfs/dbraw/zinc/84/13/29/349841329.db2.gz OCROLSZMSCJGNN-GXSJLCMTSA-N 1 2 205.261 1.799 20 30 BDEDLO C=C1CC(C)(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000631301908 343683615 /nfs/dbraw/zinc/68/36/15/343683615.db2.gz WHLJRBOZYBZFJM-UHFFFAOYSA-N 1 2 231.299 1.623 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCc2nc[nH]c2C1 ZINC000625436917 343734253 /nfs/dbraw/zinc/73/42/53/343734253.db2.gz NIHRDSOQMJSAGL-JTQLQIEISA-N 1 2 203.289 1.570 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCc2nc[nH]c2C1 ZINC000625436917 343734254 /nfs/dbraw/zinc/73/42/54/343734254.db2.gz NIHRDSOQMJSAGL-JTQLQIEISA-N 1 2 203.289 1.570 20 30 BDEDLO Cc1ccnc(NCc2[nH+]ccn2C)c1C#N ZINC000135078089 343731552 /nfs/dbraw/zinc/73/15/52/343731552.db2.gz KJKCURIWWLFLGR-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000576648057 343755905 /nfs/dbraw/zinc/75/59/05/343755905.db2.gz WRKXKTHUQPPEEW-RYUDHWBXSA-N 1 2 231.299 1.495 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CCC1 ZINC000584123439 343763090 /nfs/dbraw/zinc/76/30/90/343763090.db2.gz WGNMRHYNIZIEKY-SNVBAGLBSA-N 1 2 246.314 1.398 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CCC1 ZINC000584123439 343763092 /nfs/dbraw/zinc/76/30/92/343763092.db2.gz WGNMRHYNIZIEKY-SNVBAGLBSA-N 1 2 246.314 1.398 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000334200432 343836253 /nfs/dbraw/zinc/83/62/53/343836253.db2.gz OFSFXOCPGVLMSN-NSHDSACASA-N 1 2 224.235 1.058 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000334200432 343836256 /nfs/dbraw/zinc/83/62/56/343836256.db2.gz OFSFXOCPGVLMSN-NSHDSACASA-N 1 2 224.235 1.058 20 30 BDEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495708902 529892192 /nfs/dbraw/zinc/89/21/92/529892192.db2.gz XTMMZMQEIWHVIY-JTQLQIEISA-N 1 2 225.292 1.111 20 30 BDEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495708902 529892194 /nfs/dbraw/zinc/89/21/94/529892194.db2.gz XTMMZMQEIWHVIY-JTQLQIEISA-N 1 2 225.292 1.111 20 30 BDEDLO CC1(CO)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000334647200 343897215 /nfs/dbraw/zinc/89/72/15/343897215.db2.gz OFULZNGUYDEPFI-UHFFFAOYSA-N 1 2 234.274 1.512 20 30 BDEDLO Cc1cc(N2CC[C@H](F)C2)c(C#N)c[nH+]1 ZINC000335096304 343927461 /nfs/dbraw/zinc/92/74/61/343927461.db2.gz NITNBWGAOBHOEM-JTQLQIEISA-N 1 2 205.236 1.810 20 30 BDEDLO Cc1cc(N[C@@H]2C[C@H]2C2CC2)c(C#N)c[nH+]1 ZINC000335107827 343927904 /nfs/dbraw/zinc/92/79/04/343927904.db2.gz KQCSQLDYKFIGPK-WCQYABFASA-N 1 2 213.284 1.894 20 30 BDEDLO COC(=O)[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000157149500 343928710 /nfs/dbraw/zinc/92/87/10/343928710.db2.gz NHMLYSASSDSUBS-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO COC(=O)[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000157149500 343928713 /nfs/dbraw/zinc/92/87/13/343928713.db2.gz NHMLYSASSDSUBS-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC#N)C1CC1 ZINC000570580333 323063919 /nfs/dbraw/zinc/06/39/19/323063919.db2.gz SSXRMJOXRVLZIR-VIFPVBQESA-N 1 2 232.287 1.103 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC#N)C1CC1 ZINC000570580333 323063920 /nfs/dbraw/zinc/06/39/20/323063920.db2.gz SSXRMJOXRVLZIR-VIFPVBQESA-N 1 2 232.287 1.103 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000625701345 344042327 /nfs/dbraw/zinc/04/23/27/344042327.db2.gz JHHYFRJGXJINBV-SNVBAGLBSA-N 1 2 237.303 1.614 20 30 BDEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(COC)n2)C1 ZINC000625701345 344042329 /nfs/dbraw/zinc/04/23/29/344042329.db2.gz JHHYFRJGXJINBV-SNVBAGLBSA-N 1 2 237.303 1.614 20 30 BDEDLO C=CC[C@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000625702118 344053399 /nfs/dbraw/zinc/05/33/99/344053399.db2.gz NFQVLNOSVYYVGR-NSHDSACASA-N 1 2 249.362 1.826 20 30 BDEDLO C=CC[C@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000625702118 344053401 /nfs/dbraw/zinc/05/34/01/344053401.db2.gz NFQVLNOSVYYVGR-NSHDSACASA-N 1 2 249.362 1.826 20 30 BDEDLO N#CC1(Cn2cc(Cn3cc[nH+]c3)nn2)CCC1 ZINC000603254950 349900307 /nfs/dbraw/zinc/90/03/07/349900307.db2.gz CESRXENTNLEVCE-UHFFFAOYSA-N 1 2 242.286 1.217 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2(C#N)CCC2)nn1 ZINC000603255481 349900977 /nfs/dbraw/zinc/90/09/77/349900977.db2.gz GIDMUIAHOAKOQA-UHFFFAOYSA-N 1 2 243.314 1.085 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccn1CC ZINC000491712075 259375989 /nfs/dbraw/zinc/37/59/89/259375989.db2.gz YPPSZOZMCGZFHE-UHFFFAOYSA-N 1 2 214.312 1.967 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccn1CC ZINC000491712075 259375990 /nfs/dbraw/zinc/37/59/90/259375990.db2.gz YPPSZOZMCGZFHE-UHFFFAOYSA-N 1 2 214.312 1.967 20 30 BDEDLO CC1(C)COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068766033 344493243 /nfs/dbraw/zinc/49/32/43/344493243.db2.gz IOMGSQOZHRMTGJ-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO CC1(C)COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000068766033 344493246 /nfs/dbraw/zinc/49/32/46/344493246.db2.gz IOMGSQOZHRMTGJ-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO CC1=C(C(=O)N[C@](C)(C#N)C[NH+](C)C)CCC1 ZINC000577067080 365801585 /nfs/dbraw/zinc/80/15/85/365801585.db2.gz WJYYWMUZNIHGGP-CYBMUJFWSA-N 1 2 235.331 1.447 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(C2CC2)CCC1)C(=O)OC ZINC000381647637 344530296 /nfs/dbraw/zinc/53/02/96/344530296.db2.gz CBLOUXLMMNYFCG-LLVKDONJSA-N 1 2 223.316 1.884 20 30 BDEDLO C=C[C@@H](Sc1nc(N)cc(C)[nH+]1)C(=O)OC ZINC000381653021 344530791 /nfs/dbraw/zinc/53/07/91/344530791.db2.gz SDORQQMABVDQFS-SSDOTTSWSA-N 1 2 239.300 1.017 20 30 BDEDLO CC[N@H+](CCC#N)[C@H]1CCN(C(C)C)C1=O ZINC000081515103 344540801 /nfs/dbraw/zinc/54/08/01/344540801.db2.gz ZSTDWPZARTTZFP-NSHDSACASA-N 1 2 223.320 1.231 20 30 BDEDLO CC[N@@H+](CCC#N)[C@H]1CCN(C(C)C)C1=O ZINC000081515103 344540802 /nfs/dbraw/zinc/54/08/02/344540802.db2.gz ZSTDWPZARTTZFP-NSHDSACASA-N 1 2 223.320 1.231 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(CO)cc[nH+]1 ZINC000641479456 362447726 /nfs/dbraw/zinc/44/77/26/362447726.db2.gz NYJJLTYDJOWGIF-LLVKDONJSA-N 1 2 222.288 1.170 20 30 BDEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000181597699 347065238 /nfs/dbraw/zinc/06/52/38/347065238.db2.gz ZFXNDAUUVABTSB-VIFPVBQESA-N 1 2 240.278 1.806 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000181606422 347065962 /nfs/dbraw/zinc/06/59/62/347065962.db2.gz RTWXOMBHBLDCGS-SSDOTTSWSA-N 1 2 244.241 1.637 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1ccc(C#N)o1 ZINC000135529614 344742046 /nfs/dbraw/zinc/74/20/46/344742046.db2.gz UHBOJTPWMCGXES-UHFFFAOYSA-N 1 2 203.245 1.791 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152732014 344685002 /nfs/dbraw/zinc/68/50/02/344685002.db2.gz PZUYJKIAKAXMMX-GHMZBOCLSA-N 1 2 233.315 1.526 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626066240 344710389 /nfs/dbraw/zinc/71/03/89/344710389.db2.gz BNPWYHRIXXAECA-MWLCHTKSSA-N 1 2 233.315 1.445 20 30 BDEDLO C#CCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153661590 344944663 /nfs/dbraw/zinc/94/46/63/344944663.db2.gz BTPOWMFQAIQEOJ-GFCCVEGCSA-N 1 2 245.326 1.365 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000079863682 345046738 /nfs/dbraw/zinc/04/67/38/345046738.db2.gz PDWMJGQRCRVFLB-UHFFFAOYSA-N 1 2 248.370 1.734 20 30 BDEDLO CC[C@@H](C)[C@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000425221687 192084405 /nfs/dbraw/zinc/08/44/05/192084405.db2.gz FNUGRSWHYQTLHH-QMTHXVAHSA-N 1 2 247.342 1.893 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641620806 362555457 /nfs/dbraw/zinc/55/54/57/362555457.db2.gz HAGULGPOELDWQM-NEPJUHHUSA-N 1 2 234.299 1.719 20 30 BDEDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)c(C#N)cn1 ZINC000579704946 345167857 /nfs/dbraw/zinc/16/78/57/345167857.db2.gz AACDSFUSTBUNME-UHFFFAOYSA-N 1 2 239.282 1.520 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H]2CC[C@H](C#N)C2)nn1 ZINC000600973993 345541878 /nfs/dbraw/zinc/54/18/78/345541878.db2.gz UMQUJDYANACSQE-AAEUAGOBSA-N 1 2 243.314 1.256 20 30 BDEDLO N#CCC1(CNc2cc[nH+]cc2F)CC1 ZINC000603369510 349934325 /nfs/dbraw/zinc/93/43/25/349934325.db2.gz KIJOWDROTTWXOY-UHFFFAOYSA-N 1 2 205.236 1.748 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2N1CCC(C#N)CC1 ZINC000141162911 345697801 /nfs/dbraw/zinc/69/78/01/345697801.db2.gz QRXDPNCVGUPUCJ-UHFFFAOYSA-N 1 2 242.286 1.103 20 30 BDEDLO CC#CC[N@@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190629989 345978986 /nfs/dbraw/zinc/97/89/86/345978986.db2.gz CJVARMDAOWYFMD-GFCCVEGCSA-N 1 2 223.316 1.816 20 30 BDEDLO CC#CC[N@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190629989 345978989 /nfs/dbraw/zinc/97/89/89/345978989.db2.gz CJVARMDAOWYFMD-GFCCVEGCSA-N 1 2 223.316 1.816 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635774816 346061174 /nfs/dbraw/zinc/06/11/74/346061174.db2.gz PUWXFUGDRRYWII-NXEZZACHSA-N 1 2 219.288 1.548 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635774816 346061176 /nfs/dbraw/zinc/06/11/76/346061176.db2.gz PUWXFUGDRRYWII-NXEZZACHSA-N 1 2 219.288 1.548 20 30 BDEDLO CC#CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635746912 346046630 /nfs/dbraw/zinc/04/66/30/346046630.db2.gz KPFGQFJEODVVRJ-LBPRGKRZSA-N 1 2 233.315 1.610 20 30 BDEDLO C=C(C)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635818332 346079282 /nfs/dbraw/zinc/07/92/82/346079282.db2.gz DGVHMWNFYYPMAB-UHFFFAOYSA-N 1 2 207.277 1.207 20 30 BDEDLO CCOC1CC(C[N@@H+]2CC[C@](F)(C#N)C2)C1 ZINC000586770457 346092912 /nfs/dbraw/zinc/09/29/12/346092912.db2.gz UORHZCCFWZQRSU-MCIGGMRASA-N 1 2 226.295 1.739 20 30 BDEDLO CCOC1CC(C[N@H+]2CC[C@](F)(C#N)C2)C1 ZINC000586770457 346092913 /nfs/dbraw/zinc/09/29/13/346092913.db2.gz UORHZCCFWZQRSU-MCIGGMRASA-N 1 2 226.295 1.739 20 30 BDEDLO COCC[N@H+](CCC#N)CC1=CCCC1 ZINC000401145136 346309725 /nfs/dbraw/zinc/30/97/25/346309725.db2.gz ZSGAQZKGPPTDSO-UHFFFAOYSA-N 1 2 208.305 1.959 20 30 BDEDLO COCC[N@@H+](CCC#N)CC1=CCCC1 ZINC000401145136 346309726 /nfs/dbraw/zinc/30/97/26/346309726.db2.gz ZSGAQZKGPPTDSO-UHFFFAOYSA-N 1 2 208.305 1.959 20 30 BDEDLO CC#CC[C@@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000641769627 362704606 /nfs/dbraw/zinc/70/46/06/362704606.db2.gz WMCPFTYIAKFXRG-NSHDSACASA-N 1 2 243.310 1.427 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000170806790 346453026 /nfs/dbraw/zinc/45/30/26/346453026.db2.gz RFFWGYVTPGAJNT-JTQLQIEISA-N 1 2 231.299 1.519 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000170806790 346453027 /nfs/dbraw/zinc/45/30/27/346453027.db2.gz RFFWGYVTPGAJNT-JTQLQIEISA-N 1 2 231.299 1.519 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000301019324 346567961 /nfs/dbraw/zinc/56/79/61/346567961.db2.gz JJXCNYCBUZJZHW-AEJSXWLSSA-N 1 2 229.345 1.540 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000301019324 346567963 /nfs/dbraw/zinc/56/79/63/346567963.db2.gz JJXCNYCBUZJZHW-AEJSXWLSSA-N 1 2 229.345 1.540 20 30 BDEDLO COCC[N@@H+](CCC#N)CCOC1CCC1 ZINC000588202077 346646691 /nfs/dbraw/zinc/64/66/91/346646691.db2.gz VPDNLRDNCUHUJH-UHFFFAOYSA-N 1 2 226.320 1.418 20 30 BDEDLO COCC[N@H+](CCC#N)CCOC1CCC1 ZINC000588202077 346646692 /nfs/dbraw/zinc/64/66/92/346646692.db2.gz VPDNLRDNCUHUJH-UHFFFAOYSA-N 1 2 226.320 1.418 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000589173266 346668940 /nfs/dbraw/zinc/66/89/40/346668940.db2.gz PWHLJYQIPBABNX-ZDUSSCGKSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000589173266 346668941 /nfs/dbraw/zinc/66/89/41/346668941.db2.gz PWHLJYQIPBABNX-ZDUSSCGKSA-N 1 2 232.331 1.854 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000589996731 346760528 /nfs/dbraw/zinc/76/05/28/346760528.db2.gz OKBFABFHSIWVJV-WCABBAIRSA-N 1 2 245.269 1.691 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000589996731 346760530 /nfs/dbraw/zinc/76/05/30/346760530.db2.gz OKBFABFHSIWVJV-WCABBAIRSA-N 1 2 245.269 1.691 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000590006127 346762700 /nfs/dbraw/zinc/76/27/00/346762700.db2.gz WEYQDFDNKTUVTA-OLZOCXBDSA-N 1 2 214.268 1.531 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000590006127 346762704 /nfs/dbraw/zinc/76/27/04/346762704.db2.gz WEYQDFDNKTUVTA-OLZOCXBDSA-N 1 2 214.268 1.531 20 30 BDEDLO N#CCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000589721800 346733044 /nfs/dbraw/zinc/73/30/44/346733044.db2.gz NOFVEWLAFLZPEH-JTQLQIEISA-N 1 2 232.287 1.008 20 30 BDEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309659562 347131597 /nfs/dbraw/zinc/13/15/97/347131597.db2.gz QWJLTJAKHXLINB-DVVUODLYSA-N 1 2 222.288 1.220 20 30 BDEDLO C[C@@H](C#N)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364045939 347246098 /nfs/dbraw/zinc/24/60/98/347246098.db2.gz OORUCIBGHRXNPY-AAEUAGOBSA-N 1 2 215.300 1.858 20 30 BDEDLO C[C@@H](C#N)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364045939 347246102 /nfs/dbraw/zinc/24/61/02/347246102.db2.gz OORUCIBGHRXNPY-AAEUAGOBSA-N 1 2 215.300 1.858 20 30 BDEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nnnn1C ZINC000188670677 347286291 /nfs/dbraw/zinc/28/62/91/347286291.db2.gz OAZBZJCZZGLFFI-SECBINFHSA-N 1 2 209.297 1.169 20 30 BDEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nnnn1C ZINC000188670677 347286295 /nfs/dbraw/zinc/28/62/95/347286295.db2.gz OAZBZJCZZGLFFI-SECBINFHSA-N 1 2 209.297 1.169 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000192237508 136732430 /nfs/dbraw/zinc/73/24/30/136732430.db2.gz SUXIJFDCTCUBEB-UHFFFAOYSA-N 1 2 248.351 1.198 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000192237508 136732431 /nfs/dbraw/zinc/73/24/31/136732431.db2.gz SUXIJFDCTCUBEB-UHFFFAOYSA-N 1 2 248.351 1.198 20 30 BDEDLO C=CC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929279 347496651 /nfs/dbraw/zinc/49/66/51/347496651.db2.gz WNKPTXAICGYNIZ-UHFFFAOYSA-N 1 2 207.277 1.580 20 30 BDEDLO C=CC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929279 347496652 /nfs/dbraw/zinc/49/66/52/347496652.db2.gz WNKPTXAICGYNIZ-UHFFFAOYSA-N 1 2 207.277 1.580 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)no1 ZINC000590594200 347478774 /nfs/dbraw/zinc/47/87/74/347478774.db2.gz CVOLZYUNRZFOKI-QMMMGPOBSA-N 1 2 237.259 1.243 20 30 BDEDLO COc1ccc(C[NH2+]CCC#N)c(OC)n1 ZINC000571636016 323150125 /nfs/dbraw/zinc/15/01/25/323150125.db2.gz AKHMHXXNORNUHC-UHFFFAOYSA-N 1 2 221.260 1.102 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000590973068 347598953 /nfs/dbraw/zinc/59/89/53/347598953.db2.gz XERGCLJBENRTAM-RCWTZXSCSA-N 1 2 209.289 1.492 20 30 BDEDLO CN1Cc2ccccc2[C@@H]([NH2+]CCC#N)C1 ZINC000591757319 347691137 /nfs/dbraw/zinc/69/11/37/347691137.db2.gz NFBYMXVBTWRHNA-ZDUSSCGKSA-N 1 2 215.300 1.676 20 30 BDEDLO CC(C)(C#N)C[NH2+]C[C@H](C#N)CCC#N ZINC000591759793 347692571 /nfs/dbraw/zinc/69/25/71/347692571.db2.gz WETQNGSXXGNJTO-JTQLQIEISA-N 1 2 204.277 1.569 20 30 BDEDLO CN(CCC#N)c1nc(N)[nH+]c2c1CCCC2 ZINC000591888418 347711307 /nfs/dbraw/zinc/71/13/07/347711307.db2.gz FVYHBKFYVMQJIY-UHFFFAOYSA-N 1 2 231.303 1.118 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000592441769 347779354 /nfs/dbraw/zinc/77/93/54/347779354.db2.gz JDELOQPHZPLZGG-ZJUUUORDSA-N 1 2 223.320 1.278 20 30 BDEDLO C[C@@H]1CSCC[N@@H+]1Cc1ccncc1C#N ZINC000592072506 347729319 /nfs/dbraw/zinc/72/93/19/347729319.db2.gz NOSJIVMARQHHDW-SNVBAGLBSA-N 1 2 233.340 1.891 20 30 BDEDLO C[C@@H]1CSCC[N@H+]1Cc1ccncc1C#N ZINC000592072506 347729323 /nfs/dbraw/zinc/72/93/23/347729323.db2.gz NOSJIVMARQHHDW-SNVBAGLBSA-N 1 2 233.340 1.891 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H](C)CC(F)F)C(=O)OC ZINC000592446027 347780459 /nfs/dbraw/zinc/78/04/59/347780459.db2.gz TYLDJXCJZAMFQM-SFYZADRCSA-N 1 2 221.247 1.595 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)C2(CCC2)CO1 ZINC000593092037 347853578 /nfs/dbraw/zinc/85/35/78/347853578.db2.gz MCUJXVVILPNPIX-LLVKDONJSA-N 1 2 220.316 1.934 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)C2(CCC2)CO1 ZINC000593092037 347853581 /nfs/dbraw/zinc/85/35/81/347853581.db2.gz MCUJXVVILPNPIX-LLVKDONJSA-N 1 2 220.316 1.934 20 30 BDEDLO CSC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127420 347864791 /nfs/dbraw/zinc/86/47/91/347864791.db2.gz PNFUJWLLYJICEQ-GFCCVEGCSA-N 1 2 248.351 1.598 20 30 BDEDLO CSC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127420 347864792 /nfs/dbraw/zinc/86/47/92/347864792.db2.gz PNFUJWLLYJICEQ-GFCCVEGCSA-N 1 2 248.351 1.598 20 30 BDEDLO N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCCC1 ZINC000493514074 347865427 /nfs/dbraw/zinc/86/54/27/347865427.db2.gz BMCOAOWMMLMNOS-SNAWJCMRSA-N 1 2 244.298 1.766 20 30 BDEDLO 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/nfs/dbraw/zinc/38/91/62/348389162.db2.gz IYUSBHNZMZOUDI-VXGBXAGGSA-N 1 2 220.320 1.208 20 30 BDEDLO C[C@@H]1[C@@H](C)[N@@H+](CCC#N)CCN1CCC#N ZINC000595885769 348389163 /nfs/dbraw/zinc/38/91/63/348389163.db2.gz IYUSBHNZMZOUDI-VXGBXAGGSA-N 1 2 220.320 1.208 20 30 BDEDLO CCOC(=O)N[C@H]1CCC[N@H+](CCC#N)C1 ZINC000051379315 323188869 /nfs/dbraw/zinc/18/88/69/323188869.db2.gz YBZRXKJHOBJBRJ-JTQLQIEISA-N 1 2 225.292 1.111 20 30 BDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000051379315 323188870 /nfs/dbraw/zinc/18/88/70/323188870.db2.gz YBZRXKJHOBJBRJ-JTQLQIEISA-N 1 2 225.292 1.111 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C#N)nn1 ZINC000596256805 348476521 /nfs/dbraw/zinc/47/65/21/348476521.db2.gz GJUUAXIMFAWNGD-VIFPVBQESA-N 1 2 242.286 1.160 20 30 BDEDLO Cc1cc(NC[C@@H](CO)CC2CC2)c(C#N)c[nH+]1 ZINC000596491515 348560360 /nfs/dbraw/zinc/56/03/60/348560360.db2.gz GPBJHMRVEPTFQS-LBPRGKRZSA-N 1 2 245.326 1.504 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597144688 348670192 /nfs/dbraw/zinc/67/01/92/348670192.db2.gz MDISSQHBLZAHBF-ZJUUUORDSA-N 1 2 246.314 1.275 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597144688 348670195 /nfs/dbraw/zinc/67/01/95/348670195.db2.gz MDISSQHBLZAHBF-ZJUUUORDSA-N 1 2 246.314 1.275 20 30 BDEDLO COc1cncc(C[NH2+][C@@H](C)CC#N)c1 ZINC000597082017 348658723 /nfs/dbraw/zinc/65/87/23/348658723.db2.gz FHRLPUDMTVBBOG-VIFPVBQESA-N 1 2 205.261 1.482 20 30 BDEDLO Cc1cc(NC(=O)N2CC[C@@](C)(C#N)C2)cc[nH+]1 ZINC000596817191 348625678 /nfs/dbraw/zinc/62/56/78/348625678.db2.gz OLSVLSLFQDOQQO-ZDUSSCGKSA-N 1 2 244.298 1.579 20 30 BDEDLO N#CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000596916454 348633448 /nfs/dbraw/zinc/63/34/48/348633448.db2.gz OEBLEBZIOKRCPV-VIFPVBQESA-N 1 2 244.298 1.029 20 30 BDEDLO N#CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000596916454 348633449 /nfs/dbraw/zinc/63/34/49/348633449.db2.gz OEBLEBZIOKRCPV-VIFPVBQESA-N 1 2 244.298 1.029 20 30 BDEDLO CC[N@@H+](Cc1cnn2c1CCC2)C[C@H](C)C#N ZINC000596991719 348644196 /nfs/dbraw/zinc/64/41/96/348644196.db2.gz NYNAVQFMYISPFD-LLVKDONJSA-N 1 2 232.331 1.811 20 30 BDEDLO CC[N@H+](Cc1cnn2c1CCC2)C[C@H](C)C#N ZINC000596991719 348644197 /nfs/dbraw/zinc/64/41/97/348644197.db2.gz NYNAVQFMYISPFD-LLVKDONJSA-N 1 2 232.331 1.811 20 30 BDEDLO Cc1cnc(C[NH+]2CC(CC#N)C2)s1 ZINC000597203107 348676882 /nfs/dbraw/zinc/67/68/82/348676882.db2.gz FJFGXBJFGJRTNY-UHFFFAOYSA-N 1 2 207.302 1.797 20 30 BDEDLO Cc1cc(C[NH+]2CC(CC#N)C2)nn1C ZINC000597202796 348677000 /nfs/dbraw/zinc/67/70/00/348677000.db2.gz CMUYGNNRWVKLIP-UHFFFAOYSA-N 1 2 204.277 1.074 20 30 BDEDLO CCOC(=O)c1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC000597203746 348677781 /nfs/dbraw/zinc/67/77/81/348677781.db2.gz OCAAUISGSVVTLP-UHFFFAOYSA-N 1 2 248.282 1.802 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)n1 ZINC000597229605 348697728 /nfs/dbraw/zinc/69/77/28/348697728.db2.gz NDTLVOJFSXUCSX-CYBMUJFWSA-N 1 2 231.299 1.831 20 30 BDEDLO Cc1ccc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)n1 ZINC000597229605 348697729 /nfs/dbraw/zinc/69/77/29/348697729.db2.gz NDTLVOJFSXUCSX-CYBMUJFWSA-N 1 2 231.299 1.831 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230918 348698648 /nfs/dbraw/zinc/69/86/48/348698648.db2.gz UVWFNVFLNWZZHM-LLVKDONJSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1n[nH]cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230918 348698649 /nfs/dbraw/zinc/69/86/49/348698649.db2.gz UVWFNVFLNWZZHM-LLVKDONJSA-N 1 2 204.277 1.454 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000597231600 348699274 /nfs/dbraw/zinc/69/92/74/348699274.db2.gz ZMNWKOBKLIZGML-CYBMUJFWSA-N 1 2 241.298 1.465 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000597231600 348699276 /nfs/dbraw/zinc/69/92/76/348699276.db2.gz ZMNWKOBKLIZGML-CYBMUJFWSA-N 1 2 241.298 1.465 20 30 BDEDLO CCn1nccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231993 348699643 /nfs/dbraw/zinc/69/96/43/348699643.db2.gz QBKNWKCZRZUPPY-LBPRGKRZSA-N 1 2 218.304 1.639 20 30 BDEDLO CCn1nccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231993 348699647 /nfs/dbraw/zinc/69/96/47/348699647.db2.gz QBKNWKCZRZUPPY-LBPRGKRZSA-N 1 2 218.304 1.639 20 30 BDEDLO CC(C)(C(=O)N1CC(CC#N)C1)c1c[nH+]c[nH]1 ZINC000598023322 348862408 /nfs/dbraw/zinc/86/24/08/348862408.db2.gz SSRALKQKKVMYPZ-UHFFFAOYSA-N 1 2 232.287 1.059 20 30 BDEDLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)C#N ZINC000598348000 348935238 /nfs/dbraw/zinc/93/52/38/348935238.db2.gz CEZWNYZOCTXCHG-GHMZBOCLSA-N 1 2 234.303 1.595 20 30 BDEDLO CCN(C(=O)CCc1c[nH+]cn1C)[C@@H](C)C#N ZINC000598361818 348947444 /nfs/dbraw/zinc/94/74/44/348947444.db2.gz QKLKCMWFQKNDJB-JTQLQIEISA-N 1 2 234.303 1.113 20 30 BDEDLO C[C@@H](NC(=O)C(C)(C)C#N)c1[nH+]ccn1C ZINC000598460641 348977422 /nfs/dbraw/zinc/97/74/22/348977422.db2.gz VBPJSMNCIPSPHQ-MRVPVSSYSA-N 1 2 220.276 1.147 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](C)C#N ZINC000598363911 348949967 /nfs/dbraw/zinc/94/99/67/348949967.db2.gz WMUISFIKLYXSBT-GHMZBOCLSA-N 1 2 246.314 1.206 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@](C)(C#N)C1 ZINC000598414675 348969156 /nfs/dbraw/zinc/96/91/56/348969156.db2.gz GZQFIAQOVROSEL-CYBMUJFWSA-N 1 2 246.314 1.115 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCC1(C)C ZINC000598836455 349052256 /nfs/dbraw/zinc/05/22/56/349052256.db2.gz JNFSMUZDELRRCW-MFKMUULPSA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)(C(=O)NCC1(CC#N)CC1)c1c[nH]c[nH+]1 ZINC000598698735 349018613 /nfs/dbraw/zinc/01/86/13/349018613.db2.gz VHPIKFAYFZPFCJ-UHFFFAOYSA-N 1 2 246.314 1.497 20 30 BDEDLO N#CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000598948485 349070866 /nfs/dbraw/zinc/07/08/66/349070866.db2.gz QIUIMNZGYRPARJ-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO CO[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000599196313 349115708 /nfs/dbraw/zinc/11/57/08/349115708.db2.gz ZBYRMYXNWYUXSP-XYPYZODXSA-N 1 2 217.272 1.273 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)CC#N)CC2 ZINC000599221156 349126337 /nfs/dbraw/zinc/12/63/37/349126337.db2.gz LLAYAFXYBHTKEY-GXSJLCMTSA-N 1 2 246.314 1.172 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)CC#N)CC2 ZINC000599221158 349126838 /nfs/dbraw/zinc/12/68/38/349126838.db2.gz LLAYAFXYBHTKEY-MWLCHTKSSA-N 1 2 246.314 1.172 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599260089 349133689 /nfs/dbraw/zinc/13/36/89/349133689.db2.gz VWTZHPQXNCLAAX-UHFFFAOYSA-N 1 2 232.283 1.472 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599260089 349133692 /nfs/dbraw/zinc/13/36/92/349133692.db2.gz VWTZHPQXNCLAAX-UHFFFAOYSA-N 1 2 232.283 1.472 20 30 BDEDLO C[C@H]1C[C@@H]1C[N@@H+](CC#N)CCCCN(C)CC#N ZINC000599610883 349227999 /nfs/dbraw/zinc/22/79/99/349227999.db2.gz WFEORXZJHKHECL-UONOGXRCSA-N 1 2 248.374 1.704 20 30 BDEDLO C[C@H]1C[C@@H]1C[N@H+](CC#N)CCCCN(C)CC#N ZINC000599610883 349228001 /nfs/dbraw/zinc/22/80/01/349228001.db2.gz WFEORXZJHKHECL-UONOGXRCSA-N 1 2 248.374 1.704 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514866 349204446 /nfs/dbraw/zinc/20/44/46/349204446.db2.gz MHKCDSWJAIKWEE-KXUCPTDWSA-N 1 2 247.285 1.937 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514866 349204451 /nfs/dbraw/zinc/20/44/51/349204451.db2.gz MHKCDSWJAIKWEE-KXUCPTDWSA-N 1 2 247.285 1.937 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000600110037 349289738 /nfs/dbraw/zinc/28/97/38/349289738.db2.gz OGHNVIRVUJHHFW-SNVBAGLBSA-N 1 2 248.330 1.927 20 30 BDEDLO COC(=O)C1C[C@H](C)[NH+](CCC#N)[C@@H](C)C1 ZINC000599705803 349249531 /nfs/dbraw/zinc/24/95/31/349249531.db2.gz HYNWPIKFPCXYTD-UWVGGRQHSA-N 1 2 224.304 1.562 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC(C)(C)CC#N ZINC000601610670 349306365 /nfs/dbraw/zinc/30/63/65/349306365.db2.gz GQPHEGRKRQHEPG-UHFFFAOYSA-N 1 2 249.318 1.491 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000601971658 349408450 /nfs/dbraw/zinc/40/84/50/349408450.db2.gz DMJPBPDRTVEWRT-SECBINFHSA-N 1 2 230.258 1.646 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000601971658 349408452 /nfs/dbraw/zinc/40/84/52/349408452.db2.gz DMJPBPDRTVEWRT-SECBINFHSA-N 1 2 230.258 1.646 20 30 BDEDLO CCc1c[nH]c(CC(=O)NC2(C#N)CCC2)[nH+]1 ZINC000602082651 349431806 /nfs/dbraw/zinc/43/18/06/349431806.db2.gz NHXSPCFRCFHZCY-UHFFFAOYSA-N 1 2 232.287 1.077 20 30 BDEDLO C=C(C)COCCNc1cc[nH+]c(C)n1 ZINC000131354776 191013567 /nfs/dbraw/zinc/01/35/67/191013567.db2.gz ZYOPNSVNPZMZQQ-UHFFFAOYSA-N 1 2 207.277 1.790 20 30 BDEDLO Cc1[nH]c2ccc(Cn3cnc(C#N)n3)cc2[nH+]1 ZINC000358857048 180093050 /nfs/dbraw/zinc/09/30/50/180093050.db2.gz XCKAODMSHYQDPY-UHFFFAOYSA-N 1 2 238.254 1.383 20 30 BDEDLO Cc1[nH]c2cc(Cn3cnc(C#N)n3)ccc2[nH+]1 ZINC000358857048 180093054 /nfs/dbraw/zinc/09/30/54/180093054.db2.gz XCKAODMSHYQDPY-UHFFFAOYSA-N 1 2 238.254 1.383 20 30 BDEDLO C=CCCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637057366 350169073 /nfs/dbraw/zinc/16/90/73/350169073.db2.gz YDVZIJQTNJELAZ-LLVKDONJSA-N 1 2 248.330 1.463 20 30 BDEDLO C=C[C@@H]([NH2+]CCCc1ccccc1)C(=O)OC ZINC000304209009 350407200 /nfs/dbraw/zinc/40/72/00/350407200.db2.gz GMKXEQPKXQJANC-CYBMUJFWSA-N 1 2 233.311 1.936 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)Cc1cc[nH]n1 ZINC000336651698 350419641 /nfs/dbraw/zinc/41/96/41/350419641.db2.gz VRDYWRZRHQCNOK-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)Cc1cc[nH]n1 ZINC000336651698 350419644 /nfs/dbraw/zinc/41/96/44/350419644.db2.gz VRDYWRZRHQCNOK-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO CCN(Cc1[nH+]ccn1CC)C[C@@H](C)C#N ZINC000336663705 350424717 /nfs/dbraw/zinc/42/47/17/350424717.db2.gz CZUSYZCVHHBZJV-NSHDSACASA-N 1 2 220.320 1.885 20 30 BDEDLO Cc1c(C[N@@H+](C[C@H](C)C#N)C2CC2)cnn1C ZINC000336703637 350455019 /nfs/dbraw/zinc/45/50/19/350455019.db2.gz MYLDLPIHIFSXKS-SNVBAGLBSA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1c(C[N@H+](C[C@H](C)C#N)C2CC2)cnn1C ZINC000336703637 350455022 /nfs/dbraw/zinc/45/50/22/350455022.db2.gz MYLDLPIHIFSXKS-SNVBAGLBSA-N 1 2 232.331 1.853 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000577486350 365965735 /nfs/dbraw/zinc/96/57/35/365965735.db2.gz UWRJKPMNOSNCND-CYBMUJFWSA-N 1 2 243.310 1.184 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000577486350 365965741 /nfs/dbraw/zinc/96/57/41/365965741.db2.gz UWRJKPMNOSNCND-CYBMUJFWSA-N 1 2 243.310 1.184 20 30 BDEDLO CCn1ccnc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000581721919 350762327 /nfs/dbraw/zinc/76/23/27/350762327.db2.gz WQUYYMSVQAYROP-RYUDHWBXSA-N 1 2 245.330 1.997 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC[C@H](C#N)CCC#N ZINC000581721919 350762333 /nfs/dbraw/zinc/76/23/33/350762333.db2.gz WQUYYMSVQAYROP-RYUDHWBXSA-N 1 2 245.330 1.997 20 30 BDEDLO C=CCNC(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000051967129 350831040 /nfs/dbraw/zinc/83/10/40/350831040.db2.gz FWLLMRKXMVFOCJ-UHFFFAOYSA-N 1 2 248.326 1.855 20 30 BDEDLO C=CCNC(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051967129 350831041 /nfs/dbraw/zinc/83/10/41/350831041.db2.gz FWLLMRKXMVFOCJ-UHFFFAOYSA-N 1 2 248.326 1.855 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000343684642 350988456 /nfs/dbraw/zinc/98/84/56/350988456.db2.gz ZMNLNINDROKCJI-QWRGUYRKSA-N 1 2 246.314 1.110 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](SC)C1 ZINC000382981903 351121212 /nfs/dbraw/zinc/12/12/12/351121212.db2.gz UOWAVYUGQDYXMW-DTWKUNHWSA-N 1 2 215.318 1.151 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](SC)C1 ZINC000382981903 351121213 /nfs/dbraw/zinc/12/12/13/351121213.db2.gz UOWAVYUGQDYXMW-DTWKUNHWSA-N 1 2 215.318 1.151 20 30 BDEDLO CC[C@@H](NC(=O)[C@H](C)C#N)c1[nH]cc[nH+]1 ZINC000139662237 351159869 /nfs/dbraw/zinc/15/98/69/351159869.db2.gz HCIUVEVRCXZVRY-HTQZYQBOSA-N 1 2 206.249 1.137 20 30 BDEDLO Cc1noc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000336722713 351169638 /nfs/dbraw/zinc/16/96/38/351169638.db2.gz ASXMEMNNDBLZOZ-SFGNSQDASA-N 1 2 220.276 1.721 20 30 BDEDLO N#CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000036168226 358460575 /nfs/dbraw/zinc/46/05/75/358460575.db2.gz VEESFMTZNITNQW-UHFFFAOYSA-N 1 2 232.283 1.851 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CC1)C(=O)OC ZINC000336727199 351509683 /nfs/dbraw/zinc/50/96/83/351509683.db2.gz CLLAZUYJXFZECO-KOLCDFICSA-N 1 2 227.304 1.119 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@H](C)C1CC1)C(=O)OC ZINC000336727200 351509690 /nfs/dbraw/zinc/50/96/90/351509690.db2.gz CLLAZUYJXFZECO-MWLCHTKSSA-N 1 2 227.304 1.119 20 30 BDEDLO CC1(C)CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C#N ZINC000277413043 351704629 /nfs/dbraw/zinc/70/46/29/351704629.db2.gz CHWZVINIPMMKIC-NSHDSACASA-N 1 2 246.314 1.424 20 30 BDEDLO CC[N@@H+](Cc1ncccc1O)C[C@@H](C)C#N ZINC000577799357 366061886 /nfs/dbraw/zinc/06/18/86/366061886.db2.gz ATVYIBFNPIMGKZ-JTQLQIEISA-N 1 2 219.288 1.769 20 30 BDEDLO CC[N@H+](Cc1ncccc1O)C[C@@H](C)C#N ZINC000577799357 366061892 /nfs/dbraw/zinc/06/18/92/366061892.db2.gz ATVYIBFNPIMGKZ-JTQLQIEISA-N 1 2 219.288 1.769 20 30 BDEDLO Cn1c[nH+]cc1CN1Cc2cccc(C#N)c2C1 ZINC000405100120 351746198 /nfs/dbraw/zinc/74/61/98/351746198.db2.gz GYKPPJFMIFQIAB-UHFFFAOYSA-N 1 2 238.294 1.808 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(C#N)CCCCC1 ZINC000280970742 351868873 /nfs/dbraw/zinc/86/88/73/351868873.db2.gz OHAIAEPLEFTOPZ-UHFFFAOYSA-N 1 2 246.314 1.603 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)NC1(C#N)CCCCC1 ZINC000280970742 351868876 /nfs/dbraw/zinc/86/88/76/351868876.db2.gz OHAIAEPLEFTOPZ-UHFFFAOYSA-N 1 2 246.314 1.603 20 30 BDEDLO C=CC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284011927 351989670 /nfs/dbraw/zinc/98/96/70/351989670.db2.gz OCRNXRPHSIFBAU-VUHVRTRXSA-N 1 2 205.261 1.504 20 30 BDEDLO NC(=[NH+]OCc1ccccn1)[C@H]1CCCO1 ZINC000284477294 351998170 /nfs/dbraw/zinc/99/81/70/351998170.db2.gz RONMKTHKYNXXOD-SNVBAGLBSA-N 1 2 221.260 1.049 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340199328 352027114 /nfs/dbraw/zinc/02/71/14/352027114.db2.gz LHACBEKBRBFRIO-BDAKNGLRSA-N 1 2 236.237 1.678 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340199328 352027115 /nfs/dbraw/zinc/02/71/15/352027115.db2.gz LHACBEKBRBFRIO-BDAKNGLRSA-N 1 2 236.237 1.678 20 30 BDEDLO C[N@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000286232052 352082119 /nfs/dbraw/zinc/08/21/19/352082119.db2.gz BYFDRCJZHDMLQH-CYBMUJFWSA-N 1 2 218.300 1.956 20 30 BDEDLO C[N@@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000286232052 352082121 /nfs/dbraw/zinc/08/21/21/352082121.db2.gz BYFDRCJZHDMLQH-CYBMUJFWSA-N 1 2 218.300 1.956 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000286386792 352087493 /nfs/dbraw/zinc/08/74/93/352087493.db2.gz IRHOHIBZYDKQOV-AAEUAGOBSA-N 1 2 248.330 1.575 20 30 BDEDLO Cc1cc[nH+]cc1CCCN1CCO[C@H](C#N)C1 ZINC000289252792 352178024 /nfs/dbraw/zinc/17/80/24/352178024.db2.gz CLIWHLYCKKACRJ-CQSZACIVSA-N 1 2 245.326 1.547 20 30 BDEDLO C=CCN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000288006427 352138363 /nfs/dbraw/zinc/13/83/63/352138363.db2.gz BJXBNPXXSWGLIT-UHFFFAOYSA-N 1 2 246.301 1.608 20 30 BDEDLO C=C[C@H]([NH2+]CC(C)(C)C(C)C)C(=O)OC ZINC000300944661 363177120 /nfs/dbraw/zinc/17/71/20/363177120.db2.gz FABVPHPPHZJHIZ-JTQLQIEISA-N 1 2 213.321 1.986 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOCC1CC1 ZINC000300940563 363177174 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356477451 /nfs/dbraw/zinc/47/74/51/356477451.db2.gz BBXLJSURSUQENA-UHFFFAOYSA-N 1 2 229.283 1.442 20 30 BDEDLO C[C@@H](CF)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352262476 134128528 /nfs/dbraw/zinc/12/85/28/134128528.db2.gz HRTVBQKYZWRJTR-GZMMTYOYSA-N 1 2 235.262 1.032 20 30 BDEDLO CC#CCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303396 356593696 /nfs/dbraw/zinc/59/36/96/356593696.db2.gz BPPYNSXWRXTHDI-LBPRGKRZSA-N 1 2 245.326 1.508 20 30 BDEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336532491 134149201 /nfs/dbraw/zinc/14/92/01/134149201.db2.gz QQSMCDZEOFSMQX-SNVBAGLBSA-N 1 2 248.330 1.485 20 30 BDEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336532491 134149202 /nfs/dbraw/zinc/14/92/02/134149202.db2.gz QQSMCDZEOFSMQX-SNVBAGLBSA-N 1 2 248.330 1.485 20 30 BDEDLO C=C[C@@H]([NH2+]CCCC(C)(F)F)C(=O)OC ZINC000389705565 356883492 /nfs/dbraw/zinc/88/34/92/356883492.db2.gz XZMCWFSDPFNCPE-MRVPVSSYSA-N 1 2 221.247 1.739 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccccc2C#N)cn1 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358158010 /nfs/dbraw/zinc/15/80/10/358158010.db2.gz NDEQYMZDPYBZKK-UHFFFAOYSA-N 1 2 218.260 1.513 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000040667387 358244879 /nfs/dbraw/zinc/24/48/79/358244879.db2.gz TWVYTCYZJNTKTQ-SECBINFHSA-N 1 2 218.256 1.665 20 30 BDEDLO CN1CCC[C@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000578205895 366390983 /nfs/dbraw/zinc/39/09/83/366390983.db2.gz VAZXITFPMGWPMQ-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO CN1CCC[C@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000578205895 366390991 /nfs/dbraw/zinc/39/09/91/366390991.db2.gz VAZXITFPMGWPMQ-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO CC[N@@H+](CC(=O)N1CCCCC1)C[C@H](C)C#N ZINC000042323958 358521543 /nfs/dbraw/zinc/52/15/43/358521543.db2.gz LDWRZVGYUNNKJH-GFCCVEGCSA-N 1 2 237.347 1.480 20 30 BDEDLO CC[N@H+](CC(=O)N1CCCCC1)C[C@H](C)C#N ZINC000042323958 358521547 /nfs/dbraw/zinc/52/15/47/358521547.db2.gz LDWRZVGYUNNKJH-GFCCVEGCSA-N 1 2 237.347 1.480 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCc3cn[nH]c3C2)ccn1 ZINC000611008713 358430921 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RHLZVPVWAAIUKK-UHFFFAOYSA-N 1 2 228.259 1.177 20 30 BDEDLO C=CCC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459554223 203299667 /nfs/dbraw/zinc/29/96/67/203299667.db2.gz DHDWOHGCMRJNAY-LLVKDONJSA-N 1 2 215.293 1.120 20 30 BDEDLO CC[N@@H+](Cc1nc(C#N)cs1)C[C@@H](C)OC ZINC000361016859 369434763 /nfs/dbraw/zinc/43/47/63/369434763.db2.gz JWTTVSZXNVYEHH-SECBINFHSA-N 1 2 239.344 1.872 20 30 BDEDLO CC[N@H+](Cc1nc(C#N)cs1)C[C@@H](C)OC ZINC000361016859 369434766 /nfs/dbraw/zinc/43/47/66/369434766.db2.gz JWTTVSZXNVYEHH-SECBINFHSA-N 1 2 239.344 1.872 20 30 BDEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCOC1 ZINC000361236295 369439638 /nfs/dbraw/zinc/43/96/38/369439638.db2.gz IKMOOYINXGVQOX-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCOC1 ZINC000361236295 369439643 /nfs/dbraw/zinc/43/96/43/369439643.db2.gz IKMOOYINXGVQOX-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)CC(=O)OC(C)(C)C ZINC000619532200 369464041 /nfs/dbraw/zinc/46/40/41/369464041.db2.gz OYHUVERIKKTYHL-SNVBAGLBSA-N 1 2 229.320 1.197 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000619532200 369464049 /nfs/dbraw/zinc/46/40/49/369464049.db2.gz OYHUVERIKKTYHL-SNVBAGLBSA-N 1 2 229.320 1.197 20 30 BDEDLO C=C[C@H]([NH2+]CCC[C@@H]1CCCCO1)C(=O)OC ZINC000619703572 369536663 /nfs/dbraw/zinc/53/66/63/369536663.db2.gz NIZPQBOIQPJVQC-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C)C(=O)OC ZINC000619703785 369536809 /nfs/dbraw/zinc/53/68/09/369536809.db2.gz SLOMWTFHAMMFRD-LMLFDSFASA-N 1 2 241.331 1.363 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000619717807 369547892 /nfs/dbraw/zinc/54/78/92/369547892.db2.gz LWAJTTQNDCJCGK-WDEREUQCSA-N 1 2 235.283 1.797 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000619717807 369547896 /nfs/dbraw/zinc/54/78/96/369547896.db2.gz LWAJTTQNDCJCGK-WDEREUQCSA-N 1 2 235.283 1.797 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CC)(CO)CC1 ZINC000619720212 369549845 /nfs/dbraw/zinc/54/98/45/369549845.db2.gz ORSXANIQYZABKM-NSHDSACASA-N 1 2 241.331 1.199 20 30 BDEDLO C[C@@H](C[N@@H+]1CCO[C@@H](C#N)C1)C(C)(C)C ZINC000619844298 369616640 /nfs/dbraw/zinc/61/66/40/369616640.db2.gz PIZJJFZSLPUPHA-QWRGUYRKSA-N 1 2 210.321 1.893 20 30 BDEDLO C[C@@H](C[N@H+]1CCO[C@@H](C#N)C1)C(C)(C)C ZINC000619844298 369616645 /nfs/dbraw/zinc/61/66/45/369616645.db2.gz PIZJJFZSLPUPHA-QWRGUYRKSA-N 1 2 210.321 1.893 20 30 BDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602436083 369787882 /nfs/dbraw/zinc/78/78/82/369787882.db2.gz WPTJXXNHTCFIEX-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602436083 369787886 /nfs/dbraw/zinc/78/78/86/369787886.db2.gz WPTJXXNHTCFIEX-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000602445877 369789824 /nfs/dbraw/zinc/78/98/24/369789824.db2.gz XLHABOCOUVLYSW-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000602445877 369789828 /nfs/dbraw/zinc/78/98/28/369789828.db2.gz XLHABOCOUVLYSW-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000602897639 369860137 /nfs/dbraw/zinc/86/01/37/369860137.db2.gz NJYZXADFANQSSM-ZDUSSCGKSA-N 1 2 232.283 1.363 20 30 BDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000602897639 369860141 /nfs/dbraw/zinc/86/01/41/369860141.db2.gz NJYZXADFANQSSM-ZDUSSCGKSA-N 1 2 232.283 1.363 20 30 BDEDLO CCc1nc(C#N)cc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000308269820 370117595 /nfs/dbraw/zinc/11/75/95/370117595.db2.gz STDFEYSAVAJHDJ-MRVPVSSYSA-N 1 2 242.286 1.807 20 30 BDEDLO CCc1nc(C#N)cc(NCCn2cc[nH+]c2)n1 ZINC000308166284 370106450 /nfs/dbraw/zinc/10/64/50/370106450.db2.gz IQFDSGGTUHBJDB-UHFFFAOYSA-N 1 2 242.286 1.219 20 30 BDEDLO N#CCC[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000309632011 370236065 /nfs/dbraw/zinc/23/60/65/370236065.db2.gz KVZHFLZZGJYYIT-UHFFFAOYSA-N 1 2 237.690 1.782 20 30 BDEDLO C=C[C@H]([NH2+]CC1(CC)CCOCC1)C(=O)OC ZINC000310462002 370346964 /nfs/dbraw/zinc/34/69/64/370346964.db2.gz YCLABBKKRASDRQ-NSHDSACASA-N 1 2 241.331 1.510 20 30 BDEDLO C=CC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633021356 373254899 /nfs/dbraw/zinc/25/48/99/373254899.db2.gz ZXONRYOLDWKAJZ-VIFPVBQESA-N 1 2 222.292 1.516 20 30 BDEDLO Cc1cc(NCC[C@@H](O)C(C)C)c(C#N)c[nH+]1 ZINC000425226161 206020950 /nfs/dbraw/zinc/02/09/50/206020950.db2.gz HGAQNIILOUUNAQ-CYBMUJFWSA-N 1 2 233.315 1.503 20 30 BDEDLO C[C@@H](O)C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459495132 206131094 /nfs/dbraw/zinc/13/10/94/206131094.db2.gz CYLIUSNVWZWPCT-SECBINFHSA-N 1 2 249.270 1.279 20 30 BDEDLO C[C@@H](O)C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459495132 206131098 /nfs/dbraw/zinc/13/10/98/206131098.db2.gz CYLIUSNVWZWPCT-SECBINFHSA-N 1 2 249.270 1.279 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000192220221 259584940 /nfs/dbraw/zinc/58/49/40/259584940.db2.gz LYSBTYWQXPSYOJ-UHFFFAOYSA-N 1 2 227.267 1.062 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000192220221 259584942 /nfs/dbraw/zinc/58/49/42/259584942.db2.gz LYSBTYWQXPSYOJ-UHFFFAOYSA-N 1 2 227.267 1.062 20 30 BDEDLO Oc1cccc(/C=[NH+]/CCC2(O)CCC2)c1O ZINC000283813790 183287618 /nfs/dbraw/zinc/28/76/18/183287618.db2.gz DHGAVGCLVYOZTJ-NTEUORMPSA-N 1 2 235.283 1.822 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000372089800 532993132 /nfs/dbraw/zinc/99/31/32/532993132.db2.gz XOWHCEKBPFFALB-SNVBAGLBSA-N 1 2 245.326 1.433 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000372089800 532993140 /nfs/dbraw/zinc/99/31/40/532993140.db2.gz XOWHCEKBPFFALB-SNVBAGLBSA-N 1 2 245.326 1.433 20 30 BDEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000339577039 383997066 /nfs/dbraw/zinc/99/70/66/383997066.db2.gz CKJSNGWMRSXDSJ-GBIKHYSHSA-N 1 2 243.310 1.425 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000339577039 383997072 /nfs/dbraw/zinc/99/70/72/383997072.db2.gz CKJSNGWMRSXDSJ-GBIKHYSHSA-N 1 2 243.310 1.425 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@H](CF)C2)cc1C#N ZINC000334858507 383968434 /nfs/dbraw/zinc/96/84/34/383968434.db2.gz CBMZIKRITMEKLJ-GFCCVEGCSA-N 1 2 237.278 1.067 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@H](CF)C2)cc1C#N ZINC000334858507 383968441 /nfs/dbraw/zinc/96/84/41/383968441.db2.gz CBMZIKRITMEKLJ-GFCCVEGCSA-N 1 2 237.278 1.067 20 30 BDEDLO Cc1noc([C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000054341476 134388245 /nfs/dbraw/zinc/38/82/45/134388245.db2.gz WKTIJMBCMPWFFW-SNVBAGLBSA-N 1 2 220.276 1.471 20 30 BDEDLO Cc1noc([C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000054341476 134388246 /nfs/dbraw/zinc/38/82/46/134388246.db2.gz WKTIJMBCMPWFFW-SNVBAGLBSA-N 1 2 220.276 1.471 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC000556344012 384040332 /nfs/dbraw/zinc/04/03/32/384040332.db2.gz PTMIYRGCKGJONI-ZJUUUORDSA-N 1 2 237.303 1.455 20 30 BDEDLO COc1cccc(C[N@H+](C)C[C@@H](C)C#N)n1 ZINC000070093662 384079815 /nfs/dbraw/zinc/07/98/15/384079815.db2.gz JMXHUVLBBFJFKE-JTQLQIEISA-N 1 2 219.288 1.682 20 30 BDEDLO COc1cccc(C[N@@H+](C)C[C@@H](C)C#N)n1 ZINC000070093662 384079823 /nfs/dbraw/zinc/07/98/23/384079823.db2.gz JMXHUVLBBFJFKE-JTQLQIEISA-N 1 2 219.288 1.682 20 30 BDEDLO COc1cccc(C[N@H+](C)[C@@H](C)CC#N)n1 ZINC000070093673 384079904 /nfs/dbraw/zinc/07/99/04/384079904.db2.gz KAOMGGSSRUWLSA-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO COc1cccc(C[N@@H+](C)[C@@H](C)CC#N)n1 ZINC000070093673 384079911 /nfs/dbraw/zinc/07/99/11/384079911.db2.gz KAOMGGSSRUWLSA-JTQLQIEISA-N 1 2 219.288 1.824 20 30 BDEDLO N#CCN(Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000093563240 384251058 /nfs/dbraw/zinc/25/10/58/384251058.db2.gz YEKDTHIFTLIHJE-UHFFFAOYSA-N 1 2 204.277 1.678 20 30 BDEDLO N#CCN(Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000093563240 384251062 /nfs/dbraw/zinc/25/10/62/384251062.db2.gz YEKDTHIFTLIHJE-UHFFFAOYSA-N 1 2 204.277 1.678 20 30 BDEDLO C=CC[NH2+][C@@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000082584482 384242188 /nfs/dbraw/zinc/24/21/88/384242188.db2.gz IHSUNQWTSUIPCG-WDEREUQCSA-N 1 2 227.304 1.120 20 30 BDEDLO C#CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000364849580 533055517 /nfs/dbraw/zinc/05/55/17/533055517.db2.gz FSGRBAXEMKNPPG-AWEZNQCLSA-N 1 2 242.322 1.491 20 30 BDEDLO C#CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000364849580 533055518 /nfs/dbraw/zinc/05/55/18/533055518.db2.gz FSGRBAXEMKNPPG-AWEZNQCLSA-N 1 2 242.322 1.491 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047028422 384442166 /nfs/dbraw/zinc/44/21/66/384442166.db2.gz SGLAQIUTHDTGJZ-WDEREUQCSA-N 1 2 249.318 1.073 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000049000971 384515768 /nfs/dbraw/zinc/51/57/68/384515768.db2.gz JVBPIDKZVLGQFC-JTQLQIEISA-N 1 2 231.299 1.377 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000049000971 384515775 /nfs/dbraw/zinc/51/57/75/384515775.db2.gz JVBPIDKZVLGQFC-JTQLQIEISA-N 1 2 231.299 1.377 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cc(COC)on1)C(C)(C)C ZINC000297369760 384627609 /nfs/dbraw/zinc/62/76/09/384627609.db2.gz HMZUEEYWEGQNRX-GFCCVEGCSA-N 1 2 236.315 1.959 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000565725208 384684865 /nfs/dbraw/zinc/68/48/65/384684865.db2.gz WOPNIWQVPCMLJM-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000565725208 384684875 /nfs/dbraw/zinc/68/48/75/384684875.db2.gz WOPNIWQVPCMLJM-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565900206 384716824 /nfs/dbraw/zinc/71/68/24/384716824.db2.gz QJJJNDVYLFLGOW-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000565900206 384716828 /nfs/dbraw/zinc/71/68/28/384716828.db2.gz QJJJNDVYLFLGOW-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000103460833 384772956 /nfs/dbraw/zinc/77/29/56/384772956.db2.gz AMZPMGHVMOWXJM-SECBINFHSA-N 1 2 248.282 1.855 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000103460833 384772961 /nfs/dbraw/zinc/77/29/61/384772961.db2.gz AMZPMGHVMOWXJM-SECBINFHSA-N 1 2 248.282 1.855 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000491414330 384742163 /nfs/dbraw/zinc/74/21/63/384742163.db2.gz BZKVSNLTKRQLKG-ZYHUDNBSSA-N 1 2 247.342 1.752 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000491414330 384742168 /nfs/dbraw/zinc/74/21/68/384742168.db2.gz BZKVSNLTKRQLKG-ZYHUDNBSSA-N 1 2 247.342 1.752 20 30 BDEDLO C#C[C@@H]1COCCN1Cc1c[nH+]cn1C(C)C ZINC000491408966 384745754 /nfs/dbraw/zinc/74/57/54/384745754.db2.gz XZIDDOLROAANGQ-GFCCVEGCSA-N 1 2 233.315 1.298 20 30 BDEDLO CC(C)N1CCC[C@H]([N@H+](C)CCC#N)C1=O ZINC000083217861 384750961 /nfs/dbraw/zinc/75/09/61/384750961.db2.gz QBKLVXJTHLAFKA-NSHDSACASA-N 1 2 223.320 1.231 20 30 BDEDLO CC(C)N1CCC[C@H]([N@@H+](C)CCC#N)C1=O ZINC000083217861 384750969 /nfs/dbraw/zinc/75/09/69/384750969.db2.gz QBKLVXJTHLAFKA-NSHDSACASA-N 1 2 223.320 1.231 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCCC1(F)F ZINC000491809955 384821203 /nfs/dbraw/zinc/82/12/03/384821203.db2.gz HEUBHMXPOITYCH-QWRGUYRKSA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCCC1(F)F ZINC000491809955 384821209 /nfs/dbraw/zinc/82/12/09/384821209.db2.gz HEUBHMXPOITYCH-QWRGUYRKSA-N 1 2 229.270 1.756 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449668675 384873445 /nfs/dbraw/zinc/87/34/45/384873445.db2.gz WTBKJAAPTRCCPX-SDDRHHMPSA-N 1 2 238.331 1.998 20 30 BDEDLO CC[N@@H+](CC#N)CCCCCn1cccn1 ZINC000104679134 384840598 /nfs/dbraw/zinc/84/05/98/384840598.db2.gz FVIWOILOSPVJLZ-UHFFFAOYSA-N 1 2 220.320 1.899 20 30 BDEDLO CC[N@H+](CC#N)CCCCCn1cccn1 ZINC000104679134 384840604 /nfs/dbraw/zinc/84/06/04/384840604.db2.gz FVIWOILOSPVJLZ-UHFFFAOYSA-N 1 2 220.320 1.899 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491821516 384859356 /nfs/dbraw/zinc/85/93/56/384859356.db2.gz WFKQCCRZCVUCMZ-JTQLQIEISA-N 1 2 243.266 1.920 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491821516 384859366 /nfs/dbraw/zinc/85/93/66/384859366.db2.gz WFKQCCRZCVUCMZ-JTQLQIEISA-N 1 2 243.266 1.920 20 30 BDEDLO C=CCN(C(=O)Cc1[nH]cc(CC)[nH+]1)C1CC1 ZINC000635766612 384907484 /nfs/dbraw/zinc/90/74/84/384907484.db2.gz WFEPFCAVXBOTGO-UHFFFAOYSA-N 1 2 233.315 1.692 20 30 BDEDLO CCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000085260908 384930637 /nfs/dbraw/zinc/93/06/37/384930637.db2.gz WZEGNXLFFNMSSW-UHFFFAOYSA-N 1 2 213.306 1.693 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000045911337 533099211 /nfs/dbraw/zinc/09/92/11/533099211.db2.gz UTNNWXOUKBTKBC-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000045911337 533099215 /nfs/dbraw/zinc/09/92/15/533099215.db2.gz UTNNWXOUKBTKBC-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC(C)(C)C ZINC000518384103 385023644 /nfs/dbraw/zinc/02/36/44/385023644.db2.gz WNBGDAZRQSWJGL-ZDUSSCGKSA-N 1 2 239.363 1.773 20 30 BDEDLO C#C[C@@H](CC)[NH2+][C@@H](CCC)C(=O)OCC ZINC000233358553 259661895 /nfs/dbraw/zinc/66/18/95/259661895.db2.gz FJCDTCNHFFNMLW-QWRGUYRKSA-N 1 2 211.305 1.720 20 30 BDEDLO N#C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000310521100 385097958 /nfs/dbraw/zinc/09/79/58/385097958.db2.gz LZGJMWSILUETNW-MNOVXSKESA-N 1 2 232.287 1.082 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000491220446 385171467 /nfs/dbraw/zinc/17/14/67/385171467.db2.gz NNDXHTAIMUBSIU-NSHDSACASA-N 1 2 231.299 1.654 20 30 BDEDLO CC#CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000165992978 385213773 /nfs/dbraw/zinc/21/37/73/385213773.db2.gz ZXAFBGJFBAKTDX-SNVBAGLBSA-N 1 2 212.293 1.360 20 30 BDEDLO C[C@H](N1CC[NH+](CCCC#N)CC1)C(F)(F)F ZINC000178239308 385220267 /nfs/dbraw/zinc/22/02/67/385220267.db2.gz ZCPFNHACNVXQMY-JTQLQIEISA-N 1 2 249.280 1.859 20 30 BDEDLO CC#CCO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000165881607 385204425 /nfs/dbraw/zinc/20/44/25/385204425.db2.gz VNZORXIHSRYNSH-UHFFFAOYSA-N 1 2 232.283 1.550 20 30 BDEDLO C#C[C@H](CCC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000491287320 385303962 /nfs/dbraw/zinc/30/39/62/385303962.db2.gz LQPUWKUCIXWBCU-JLVNDZCYSA-N 1 2 245.326 1.834 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000308950189 385311489 /nfs/dbraw/zinc/31/14/89/385311489.db2.gz OVGAIOCMXOQLGP-VHSXEESVSA-N 1 2 215.293 1.119 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000158093290 385341640 /nfs/dbraw/zinc/34/16/40/385341640.db2.gz BVPVOPYBMULYIO-LBPRGKRZSA-N 1 2 247.342 1.870 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCCCCC1 ZINC000491326992 385355329 /nfs/dbraw/zinc/35/53/29/385355329.db2.gz RYUSKHDAAPUSEZ-UHFFFAOYSA-N 1 2 246.354 1.348 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCCCCC1 ZINC000491326992 385355333 /nfs/dbraw/zinc/35/53/33/385355333.db2.gz RYUSKHDAAPUSEZ-UHFFFAOYSA-N 1 2 246.354 1.348 20 30 BDEDLO C=CC[C@H](CO)CNc1cc[nH+]c(C)n1 ZINC000309068167 385392094 /nfs/dbraw/zinc/39/20/94/385392094.db2.gz ALFMOYUAWXNNNN-JTQLQIEISA-N 1 2 207.277 1.382 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C#N)cc1OC ZINC000121104586 533119269 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/nfs/dbraw/zinc/75/44/13/385754413.db2.gz DXBVCALMEVJDKM-SECBINFHSA-N 1 2 219.288 1.116 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491740492 385754418 /nfs/dbraw/zinc/75/44/18/385754418.db2.gz DXBVCALMEVJDKM-SECBINFHSA-N 1 2 219.288 1.116 20 30 BDEDLO C#CCN(CC#CC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491739975 385756200 /nfs/dbraw/zinc/75/62/00/385756200.db2.gz XTBGLEYDAFXSID-LBPRGKRZSA-N 1 2 243.310 1.073 20 30 BDEDLO C#CCN(CC#CC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491739975 385756204 /nfs/dbraw/zinc/75/62/04/385756204.db2.gz XTBGLEYDAFXSID-LBPRGKRZSA-N 1 2 243.310 1.073 20 30 BDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC000120607371 385769476 /nfs/dbraw/zinc/76/94/76/385769476.db2.gz OCXAMMBRYNVUQQ-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C ZINC000120607371 385769480 /nfs/dbraw/zinc/76/94/80/385769480.db2.gz OCXAMMBRYNVUQQ-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO CC(C)C(=O)N1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000335035063 385923136 /nfs/dbraw/zinc/92/31/36/385923136.db2.gz OSZUTSPQBCBOCF-UHFFFAOYSA-N 1 2 249.358 1.480 20 30 BDEDLO CC(C)C(=O)N1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000335035063 385923137 /nfs/dbraw/zinc/92/31/37/385923137.db2.gz OSZUTSPQBCBOCF-UHFFFAOYSA-N 1 2 249.358 1.480 20 30 BDEDLO CC(C)=CCSC[C@H](O)C[N@H+](C)CCC#N ZINC000414128507 385977332 /nfs/dbraw/zinc/97/73/32/385977332.db2.gz SJMZEUFTWHOTAH-GFCCVEGCSA-N 1 2 242.388 1.892 20 30 BDEDLO CC(C)=CCSC[C@H](O)C[N@@H+](C)CCC#N ZINC000414128507 385977336 /nfs/dbraw/zinc/97/73/36/385977336.db2.gz SJMZEUFTWHOTAH-GFCCVEGCSA-N 1 2 242.388 1.892 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425396658 385944962 /nfs/dbraw/zinc/94/49/62/385944962.db2.gz PTJQELXRFVYXSR-GHMZBOCLSA-N 1 2 237.347 1.477 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425396658 385944966 /nfs/dbraw/zinc/94/49/66/385944966.db2.gz PTJQELXRFVYXSR-GHMZBOCLSA-N 1 2 237.347 1.477 20 30 BDEDLO C[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000414153039 386003021 /nfs/dbraw/zinc/00/30/21/386003021.db2.gz RPRVCIPMUPJQFM-JTQLQIEISA-N 1 2 232.283 1.002 20 30 BDEDLO C[C@@H]1CC[N@@H+]2[C@H](C1)C(=O)N[C@@]21CCC[C@H](C#N)C1 ZINC000414200864 386037314 /nfs/dbraw/zinc/03/73/14/386037314.db2.gz DODBGZXCLQDMPT-CZXHOFHRSA-N 1 2 247.342 1.627 20 30 BDEDLO C[C@@H]1CC[N@H+]2[C@H](C1)C(=O)N[C@@]21CCC[C@H](C#N)C1 ZINC000414200864 386037321 /nfs/dbraw/zinc/03/73/21/386037321.db2.gz DODBGZXCLQDMPT-CZXHOFHRSA-N 1 2 247.342 1.627 20 30 BDEDLO C=CCCCCNC(=O)CCn1cc[nH+]c1 ZINC000274475261 386107391 /nfs/dbraw/zinc/10/73/91/386107391.db2.gz NDUOLQSQVHIFJU-UHFFFAOYSA-N 1 2 221.304 1.746 20 30 BDEDLO C#CC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000265261872 533157986 /nfs/dbraw/zinc/15/79/86/533157986.db2.gz YNURNMRUYPZICP-UHFFFAOYSA-N 1 2 236.265 1.720 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345241745 386076210 /nfs/dbraw/zinc/07/62/10/386076210.db2.gz ZXMDUHCTTPIAFX-GXSJLCMTSA-N 1 2 248.330 1.745 20 30 BDEDLO 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CC(C)(C#N)CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000347242995 386276005 /nfs/dbraw/zinc/27/60/05/386276005.db2.gz YIEWRVDNLPYKDX-UHFFFAOYSA-N 1 2 219.292 1.103 20 30 BDEDLO CC(C)(C#N)CC[N@H+]1CCc2nn[nH]c2C1 ZINC000347242995 386276011 /nfs/dbraw/zinc/27/60/11/386276011.db2.gz YIEWRVDNLPYKDX-UHFFFAOYSA-N 1 2 219.292 1.103 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)C(C)C)C(=O)OC ZINC000336775189 386384045 /nfs/dbraw/zinc/38/40/45/386384045.db2.gz YHAMYWFASPYHDH-WDEREUQCSA-N 1 2 229.320 1.365 20 30 BDEDLO CC#CCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187097897 386336740 /nfs/dbraw/zinc/33/67/40/386336740.db2.gz BDSUPCLTXFYGEC-UHFFFAOYSA-N 1 2 222.332 1.200 20 30 BDEDLO CC#CCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187097897 386336746 /nfs/dbraw/zinc/33/67/46/386336746.db2.gz BDSUPCLTXFYGEC-UHFFFAOYSA-N 1 2 222.332 1.200 20 30 BDEDLO Cc1cc(NC[C@H](C)CCO)c(C#N)c[nH+]1 ZINC000399205557 386449774 /nfs/dbraw/zinc/44/97/74/386449774.db2.gz VKMWXCDZWVUKFA-SECBINFHSA-N 1 2 219.288 1.114 20 30 BDEDLO C#CC[N@@H+](C)Cc1nccc(OC)c1OC ZINC000192229348 386487611 /nfs/dbraw/zinc/48/76/11/386487611.db2.gz QGWLJYAVUTVNLJ-UHFFFAOYSA-N 1 2 220.272 1.164 20 30 BDEDLO C#CC[N@H+](C)Cc1nccc(OC)c1OC ZINC000192229348 386487618 /nfs/dbraw/zinc/48/76/18/386487618.db2.gz QGWLJYAVUTVNLJ-UHFFFAOYSA-N 1 2 220.272 1.164 20 30 BDEDLO C#CCN(C)Cc1[nH+]ccc(OC)c1OC ZINC000192229348 386487623 /nfs/dbraw/zinc/48/76/23/386487623.db2.gz QGWLJYAVUTVNLJ-UHFFFAOYSA-N 1 2 220.272 1.164 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC000339756110 386591943 /nfs/dbraw/zinc/59/19/43/386591943.db2.gz LMSBGZOPBJCCGD-UHFFFAOYSA-N 1 2 222.332 1.200 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC000339756110 386591947 /nfs/dbraw/zinc/59/19/47/386591947.db2.gz LMSBGZOPBJCCGD-UHFFFAOYSA-N 1 2 222.332 1.200 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000644938016 386625915 /nfs/dbraw/zinc/62/59/15/386625915.db2.gz SCMLBJWOSSRVLN-MNOVXSKESA-N 1 2 248.330 1.424 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000644938016 386625919 /nfs/dbraw/zinc/62/59/19/386625919.db2.gz SCMLBJWOSSRVLN-MNOVXSKESA-N 1 2 248.330 1.424 20 30 BDEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328919771 386652862 /nfs/dbraw/zinc/65/28/62/386652862.db2.gz BSXBOOYKJSDPAQ-ZJUUUORDSA-N 1 2 249.314 1.793 20 30 BDEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328919771 386652868 /nfs/dbraw/zinc/65/28/68/386652868.db2.gz BSXBOOYKJSDPAQ-ZJUUUORDSA-N 1 2 249.314 1.793 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NCCC1(O)CCC1 ZINC000328957068 386652983 /nfs/dbraw/zinc/65/29/83/386652983.db2.gz JJRJJFGCKKGFMR-UHFFFAOYSA-N 1 2 249.314 1.443 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290978769 386609332 /nfs/dbraw/zinc/60/93/32/386609332.db2.gz VEXJONRIDRMABZ-LLVKDONJSA-N 1 2 249.314 1.207 20 30 BDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@H]1CCCO1 ZINC000328764134 386618822 /nfs/dbraw/zinc/61/88/22/386618822.db2.gz GCKSZYUCEIMHAO-GHMZBOCLSA-N 1 2 249.314 1.896 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cncs1 ZINC000328997438 386666924 /nfs/dbraw/zinc/66/69/24/386666924.db2.gz GTENLFPEHWWMGZ-MRVPVSSYSA-N 1 2 248.311 1.659 20 30 BDEDLO C#CCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000022762172 386672596 /nfs/dbraw/zinc/67/25/96/386672596.db2.gz ZWHQLGBIWWVMPL-UHFFFAOYSA-N 1 2 241.294 1.348 20 30 BDEDLO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccco2)o1 ZINC000184519559 386688007 /nfs/dbraw/zinc/68/80/07/386688007.db2.gz VESGMBBVCKUJCZ-GFCCVEGCSA-N 1 2 246.266 1.958 20 30 BDEDLO CO[C@@H]1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000399356361 386692128 /nfs/dbraw/zinc/69/21/28/386692128.db2.gz FXWRGFGMOCCDIQ-NWDGAFQWSA-N 1 2 231.299 1.663 20 30 BDEDLO CC#CCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000645064177 386702122 /nfs/dbraw/zinc/70/21/22/386702122.db2.gz QTJUADKHASCOOM-UHFFFAOYSA-N 1 2 227.271 1.122 20 30 BDEDLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H]1CCCO1 ZINC000330473208 386729362 /nfs/dbraw/zinc/72/93/62/386729362.db2.gz FZYJTAUAUFGTJD-ONGXEEELSA-N 1 2 237.303 1.980 20 30 BDEDLO CC(C)[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000330557520 386767727 /nfs/dbraw/zinc/76/77/27/386767727.db2.gz GGCBIVXWFIWTIN-VIFPVBQESA-N 1 2 224.308 1.468 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N(C)CC(F)F ZINC000330559445 386768347 /nfs/dbraw/zinc/76/83/47/386768347.db2.gz ALTILNURJCKYSK-MRVPVSSYSA-N 1 2 246.261 1.383 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(F)F ZINC000330559445 386768354 /nfs/dbraw/zinc/76/83/54/386768354.db2.gz ALTILNURJCKYSK-MRVPVSSYSA-N 1 2 246.261 1.383 20 30 BDEDLO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC(=O)N1 ZINC000334638306 386776906 /nfs/dbraw/zinc/77/69/06/386776906.db2.gz VNQFIKHCULCOOS-LBPRGKRZSA-N 1 2 249.358 1.671 20 30 BDEDLO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC(=O)N1 ZINC000334638306 386776915 /nfs/dbraw/zinc/77/69/15/386776915.db2.gz VNQFIKHCULCOOS-LBPRGKRZSA-N 1 2 249.358 1.671 20 30 BDEDLO C=CCNC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000125395985 386837857 /nfs/dbraw/zinc/83/78/57/386837857.db2.gz YHKBAZLEYXMXMY-UHFFFAOYSA-N 1 2 233.315 1.206 20 30 BDEDLO C=CCNC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000125395985 386837864 /nfs/dbraw/zinc/83/78/64/386837864.db2.gz YHKBAZLEYXMXMY-UHFFFAOYSA-N 1 2 233.315 1.206 20 30 BDEDLO Cc1[nH]c(C(=O)NC[C@H](CO)C(C)C)c[nH+]1 ZINC000330675850 386853724 /nfs/dbraw/zinc/85/37/24/386853724.db2.gz JSVXOJHRNMJFPW-SECBINFHSA-N 1 2 225.292 1.287 20 30 BDEDLO C=CCN(C)Cc1c[nH+]c(N(C)C)n1C ZINC000425344868 386856393 /nfs/dbraw/zinc/85/63/93/386856393.db2.gz UJALJDHMDIFVFF-UHFFFAOYSA-N 1 2 208.309 1.104 20 30 BDEDLO C[C@@H]1CCN(C(=O)CC#N)C[C@H]1n1cc[nH+]c1 ZINC000335748701 386873120 /nfs/dbraw/zinc/87/31/20/386873120.db2.gz BNYQCRUZUFOBTF-GHMZBOCLSA-N 1 2 232.287 1.206 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000330792828 386890360 /nfs/dbraw/zinc/89/03/60/386890360.db2.gz DQYQXFKXZMOMEC-LLVKDONJSA-N 1 2 247.298 1.446 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000330792828 386890363 /nfs/dbraw/zinc/89/03/63/386890363.db2.gz DQYQXFKXZMOMEC-LLVKDONJSA-N 1 2 247.298 1.446 20 30 BDEDLO Cc1ncc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000330311940 386921828 /nfs/dbraw/zinc/92/18/28/386921828.db2.gz OBJVDSLKPPQPCK-VIFPVBQESA-N 1 2 245.286 1.234 20 30 BDEDLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@]12CCOC2 ZINC000329665392 386937431 /nfs/dbraw/zinc/93/74/31/386937431.db2.gz PWJLMSAGFZQIFI-KWQFWETISA-N 1 2 221.260 1.293 20 30 BDEDLO Cc1noc(C)c1CNc1cc(C)[nH+]cc1C#N ZINC000399538357 386970983 /nfs/dbraw/zinc/97/09/83/386970983.db2.gz XBANIXVNYVJYPR-UHFFFAOYSA-N 1 2 242.282 1.901 20 30 BDEDLO COCCC1(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000399542471 386991729 /nfs/dbraw/zinc/99/17/29/386991729.db2.gz ZIIBFDBTXXZMDD-UHFFFAOYSA-N 1 2 245.326 1.912 20 30 BDEDLO Cc1cc(N[C@H](C)C[C@@H](C)O)c(C#N)c[nH+]1 ZINC000399153084 387002378 /nfs/dbraw/zinc/00/23/78/387002378.db2.gz CCUSDFAEKSLLIB-NXEZZACHSA-N 1 2 219.288 1.255 20 30 BDEDLO C[C@@H](C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000336344900 387174793 /nfs/dbraw/zinc/17/47/93/387174793.db2.gz TWXWOVRYXNVYMC-JTQLQIEISA-N 1 2 240.266 1.970 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000424584795 387188632 /nfs/dbraw/zinc/18/86/32/387188632.db2.gz BILARBRDRQOFEG-NSHDSACASA-N 1 2 235.331 1.990 20 30 BDEDLO CCCNC(=O)CCC[N@@H+](CC#N)CCC ZINC000514946717 387311937 /nfs/dbraw/zinc/31/19/37/387311937.db2.gz JVWYSZSUASEQLJ-UHFFFAOYSA-N 1 2 225.336 1.528 20 30 BDEDLO CCCNC(=O)CCC[N@H+](CC#N)CCC ZINC000514946717 387311942 /nfs/dbraw/zinc/31/19/42/387311942.db2.gz JVWYSZSUASEQLJ-UHFFFAOYSA-N 1 2 225.336 1.528 20 30 BDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191207030 387354465 /nfs/dbraw/zinc/35/44/65/387354465.db2.gz GMVCSWXUPUKYDC-GFCCVEGCSA-N 1 2 247.298 1.034 20 30 BDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191207030 387354470 /nfs/dbraw/zinc/35/44/70/387354470.db2.gz GMVCSWXUPUKYDC-GFCCVEGCSA-N 1 2 247.298 1.034 20 30 BDEDLO Cn1cc(C[N@@H+]2CCOC3(CCC3)C2)cc1C#N ZINC000191397068 387389378 /nfs/dbraw/zinc/38/93/78/387389378.db2.gz MCVROLNGEMBUDS-UHFFFAOYSA-N 1 2 245.326 1.652 20 30 BDEDLO Cn1cc(C[N@H+]2CCOC3(CCC3)C2)cc1C#N ZINC000191397068 387389386 /nfs/dbraw/zinc/38/93/86/387389386.db2.gz MCVROLNGEMBUDS-UHFFFAOYSA-N 1 2 245.326 1.652 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265884864 387400202 /nfs/dbraw/zinc/40/02/02/387400202.db2.gz PKUACWBDSTVTKB-UHFFFAOYSA-N 1 2 237.324 1.155 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265884864 387400206 /nfs/dbraw/zinc/40/02/06/387400206.db2.gz PKUACWBDSTVTKB-UHFFFAOYSA-N 1 2 237.324 1.155 20 30 BDEDLO Cn1ncc2c1CCC[C@@H]2[NH2+]CCC#N ZINC000037051868 387420392 /nfs/dbraw/zinc/42/03/92/387420392.db2.gz QAMXQFOTTKOPIK-JTQLQIEISA-N 1 2 204.277 1.301 20 30 BDEDLO CC#CC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000277589196 387535435 /nfs/dbraw/zinc/53/54/35/387535435.db2.gz ZKBPRPQOEKBLBA-UHFFFAOYSA-N 1 2 245.326 1.567 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000424077048 387478199 /nfs/dbraw/zinc/47/81/99/387478199.db2.gz NDEFIZDMEYWMJM-MNOVXSKESA-N 1 2 247.298 1.414 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCCC(C)C ZINC000042454414 387629556 /nfs/dbraw/zinc/62/95/56/387629556.db2.gz VQNIKLOEXIIZIU-LBPRGKRZSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCCC(C)C ZINC000042454414 387629558 /nfs/dbraw/zinc/62/95/58/387629558.db2.gz VQNIKLOEXIIZIU-LBPRGKRZSA-N 1 2 239.363 1.773 20 30 BDEDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(C#N)cn1 ZINC000399550497 387553369 /nfs/dbraw/zinc/55/33/69/387553369.db2.gz CEFXKTXXUOOICI-NSHDSACASA-N 1 2 241.298 1.381 20 30 BDEDLO N#CCC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527536916 387632721 /nfs/dbraw/zinc/63/27/21/387632721.db2.gz TVNUIGAKOFJLQO-UHFFFAOYSA-N 1 2 232.287 1.035 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000521457434 387742246 /nfs/dbraw/zinc/74/22/46/387742246.db2.gz SPZDHBNSPCPOIJ-QMMMGPOBSA-N 1 2 237.263 1.110 20 30 BDEDLO C=C(C)COCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422992087 387801185 /nfs/dbraw/zinc/80/11/85/387801185.db2.gz QQUOQKPFLGVWLJ-NEPJUHHUSA-N 1 2 212.337 1.167 20 30 BDEDLO C=Cn1cc(C[N@H+](CC)C[C@H](C)C#N)cn1 ZINC000193761253 387805210 /nfs/dbraw/zinc/80/52/10/387805210.db2.gz RCZACEDXIWGOLO-LLVKDONJSA-N 1 2 218.304 1.965 20 30 BDEDLO C=Cn1cc(C[N@@H+](CC)C[C@H](C)C#N)cn1 ZINC000193761253 387805213 /nfs/dbraw/zinc/80/52/13/387805213.db2.gz RCZACEDXIWGOLO-LLVKDONJSA-N 1 2 218.304 1.965 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C#N)o2)nn1 ZINC000424169709 387863861 /nfs/dbraw/zinc/86/38/61/387863861.db2.gz ITQBEAFTYVFNEE-UHFFFAOYSA-N 1 2 243.270 1.219 20 30 BDEDLO N#Cc1ccc(-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000094593352 387864697 /nfs/dbraw/zinc/86/46/97/387864697.db2.gz LTRRIGLPEGGNMB-UHFFFAOYSA-N 1 2 214.184 1.652 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533089162 387951145 /nfs/dbraw/zinc/95/11/45/387951145.db2.gz KIAGXLOSHLCAEZ-MFKMUULPSA-N 1 2 246.314 1.254 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cn[nH]c2)nn1 ZINC000424297130 387958099 /nfs/dbraw/zinc/95/80/99/387958099.db2.gz PXTGZSQTJAYPTA-SECBINFHSA-N 1 2 232.291 1.038 20 30 BDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC#N)C1 ZINC000106868940 387975633 /nfs/dbraw/zinc/97/56/33/387975633.db2.gz UDIRDVLDTSKLLL-SNVBAGLBSA-N 1 2 239.319 1.499 20 30 BDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000106868940 387975635 /nfs/dbraw/zinc/97/56/35/387975635.db2.gz UDIRDVLDTSKLLL-SNVBAGLBSA-N 1 2 239.319 1.499 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000045910568 388002573 /nfs/dbraw/zinc/00/25/73/388002573.db2.gz VKSSVLJSYKIXFV-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000045910568 388002576 /nfs/dbraw/zinc/00/25/76/388002576.db2.gz VKSSVLJSYKIXFV-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO N#Cc1ccc2[nH+]cc(CNc3c[nH]cn3)n2c1 ZINC000589514330 388114030 /nfs/dbraw/zinc/11/40/30/388114030.db2.gz XGGZIELHWMENSU-UHFFFAOYSA-N 1 2 238.254 1.541 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1ccncc1F ZINC000449237236 388160029 /nfs/dbraw/zinc/16/00/29/388160029.db2.gz ATCPQBIFZPCOCW-UHFFFAOYSA-N 1 2 207.252 1.860 20 30 BDEDLO C=CCn1cccc1C(=O)NCCn1cc[nH+]c1 ZINC000488496157 388182406 /nfs/dbraw/zinc/18/24/06/388182406.db2.gz YAHSWGLOYJYVAK-UHFFFAOYSA-N 1 2 244.298 1.301 20 30 BDEDLO C=C(CC)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000454980612 388144174 /nfs/dbraw/zinc/14/41/74/388144174.db2.gz WBVXXBLIOBBZJD-JTQLQIEISA-N 1 2 248.330 1.532 20 30 BDEDLO C=C(CC)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000454980612 388144177 /nfs/dbraw/zinc/14/41/77/388144177.db2.gz WBVXXBLIOBBZJD-JTQLQIEISA-N 1 2 248.330 1.532 20 30 BDEDLO COCC[N@H+](CCCC#N)Cc1ccnn1C ZINC000489859009 388226443 /nfs/dbraw/zinc/22/64/43/388226443.db2.gz ZLKVYLDBEDMMOK-UHFFFAOYSA-N 1 2 236.319 1.172 20 30 BDEDLO COCC[N@@H+](CCCC#N)Cc1ccnn1C ZINC000489859009 388226445 /nfs/dbraw/zinc/22/64/45/388226445.db2.gz ZLKVYLDBEDMMOK-UHFFFAOYSA-N 1 2 236.319 1.172 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cn(C)nc1C ZINC000490915723 388259990 /nfs/dbraw/zinc/25/99/90/388259990.db2.gz OKRRSVDCJGLFSV-UHFFFAOYSA-N 1 2 215.300 1.187 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cn(C)nc1C ZINC000490915723 388259992 /nfs/dbraw/zinc/25/99/92/388259992.db2.gz OKRRSVDCJGLFSV-UHFFFAOYSA-N 1 2 215.300 1.187 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(OC)nc1C ZINC000490649405 388245664 /nfs/dbraw/zinc/24/56/64/388245664.db2.gz GRENMNLBYDFPPQ-UHFFFAOYSA-N 1 2 243.310 1.252 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(OC)nc1C ZINC000490649405 388245666 /nfs/dbraw/zinc/24/56/66/388245666.db2.gz GRENMNLBYDFPPQ-UHFFFAOYSA-N 1 2 243.310 1.252 20 30 BDEDLO C=CCCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449655712 388247606 /nfs/dbraw/zinc/24/76/06/388247606.db2.gz HNYHLFRVLFPJGH-SNVBAGLBSA-N 1 2 246.301 1.704 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OCC ZINC000449653913 388248419 /nfs/dbraw/zinc/24/84/19/388248419.db2.gz DAPRZCSEXRHQKD-SRVKXCTJSA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000491265245 388281276 /nfs/dbraw/zinc/28/12/76/388281276.db2.gz KKCSKCSAXSPZQW-JTQLQIEISA-N 1 2 246.285 1.693 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000491265245 388281277 /nfs/dbraw/zinc/28/12/77/388281277.db2.gz KKCSKCSAXSPZQW-JTQLQIEISA-N 1 2 246.285 1.693 20 30 BDEDLO C=CC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451797427 388296566 /nfs/dbraw/zinc/29/65/66/388296566.db2.gz PQUJHQMJBANJQS-VIFPVBQESA-N 1 2 232.274 1.408 20 30 BDEDLO C=CC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451797427 388296567 /nfs/dbraw/zinc/29/65/67/388296567.db2.gz PQUJHQMJBANJQS-VIFPVBQESA-N 1 2 232.274 1.408 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000491465708 388296883 /nfs/dbraw/zinc/29/68/83/388296883.db2.gz XJODIHJJXFHBGI-SECBINFHSA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000491465708 388296885 /nfs/dbraw/zinc/29/68/85/388296885.db2.gz XJODIHJJXFHBGI-SECBINFHSA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000491504569 388299516 /nfs/dbraw/zinc/29/95/16/388299516.db2.gz IOSSLLFEECXGMS-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000491504569 388299517 /nfs/dbraw/zinc/29/95/17/388299517.db2.gz IOSSLLFEECXGMS-NSHDSACASA-N 1 2 241.294 1.450 20 30 BDEDLO C#C[C@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000491543278 388302639 /nfs/dbraw/zinc/30/26/39/388302639.db2.gz FRCNTNYBBWVAGN-VIFPVBQESA-N 1 2 226.283 1.500 20 30 BDEDLO C#CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491565573 388303837 /nfs/dbraw/zinc/30/38/37/388303837.db2.gz AJOFVVHMDIJAGZ-NSHDSACASA-N 1 2 219.288 1.316 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)c1cnc(C)cn1 ZINC000491619528 388305064 /nfs/dbraw/zinc/30/50/64/388305064.db2.gz FIQGVQWCSOSBCZ-GFCCVEGCSA-N 1 2 213.284 1.414 20 30 BDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000491658675 388308844 /nfs/dbraw/zinc/30/88/44/388308844.db2.gz LTIATDYEDVAPFO-CYBMUJFWSA-N 1 2 246.285 1.496 20 30 BDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000491658675 388308845 /nfs/dbraw/zinc/30/88/45/388308845.db2.gz LTIATDYEDVAPFO-CYBMUJFWSA-N 1 2 246.285 1.496 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccncc1C ZINC000491664028 388309154 /nfs/dbraw/zinc/30/91/54/388309154.db2.gz QAQYLLGXUIYUKT-CQSZACIVSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccncc1C ZINC000491664028 388309155 /nfs/dbraw/zinc/30/91/55/388309155.db2.gz QAQYLLGXUIYUKT-CQSZACIVSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000491694466 388311863 /nfs/dbraw/zinc/31/18/63/388311863.db2.gz LGAJPIKFWDBYPC-LLVKDONJSA-N 1 2 216.284 1.579 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000491694466 388311864 /nfs/dbraw/zinc/31/18/64/388311864.db2.gz LGAJPIKFWDBYPC-LLVKDONJSA-N 1 2 216.284 1.579 20 30 BDEDLO C#CCNC(=O)CC[NH2+]c1cc(C)c(O)c(C)c1 ZINC000491698397 388312206 /nfs/dbraw/zinc/31/22/06/388312206.db2.gz CJLYZZJLUVFSHN-UHFFFAOYSA-N 1 2 246.310 1.560 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1occc1C(=O)OC ZINC000491769246 388319004 /nfs/dbraw/zinc/31/90/04/388319004.db2.gz KFFVONNUXCZOTL-VIFPVBQESA-N 1 2 221.256 1.520 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1occc1C(=O)OC ZINC000491769246 388319005 /nfs/dbraw/zinc/31/90/05/388319005.db2.gz KFFVONNUXCZOTL-VIFPVBQESA-N 1 2 221.256 1.520 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000491772350 388319280 /nfs/dbraw/zinc/31/92/80/388319280.db2.gz QEXFVJAELCCSAO-SECBINFHSA-N 1 2 237.328 1.344 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000491772350 388319281 /nfs/dbraw/zinc/31/92/81/388319281.db2.gz QEXFVJAELCCSAO-SECBINFHSA-N 1 2 237.328 1.344 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(CF)cc1 ZINC000491809601 388322333 /nfs/dbraw/zinc/32/23/33/388322333.db2.gz XWKHBPZDQZJDHT-AWEZNQCLSA-N 1 2 233.286 1.990 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000491809601 388322334 /nfs/dbraw/zinc/32/23/34/388322334.db2.gz XWKHBPZDQZJDHT-AWEZNQCLSA-N 1 2 233.286 1.990 20 30 BDEDLO C#CC[N@@H+](CC(=O)NC(C)(C)CC)C1CC1 ZINC000491820258 388323789 /nfs/dbraw/zinc/32/37/89/388323789.db2.gz XAQKPFODKJFVKG-UHFFFAOYSA-N 1 2 222.332 1.389 20 30 BDEDLO C#CC[N@H+](CC(=O)NC(C)(C)CC)C1CC1 ZINC000491820258 388323790 /nfs/dbraw/zinc/32/37/90/388323790.db2.gz XAQKPFODKJFVKG-UHFFFAOYSA-N 1 2 222.332 1.389 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(O)cc(F)c1 ZINC000490985489 388263693 /nfs/dbraw/zinc/26/36/93/388263693.db2.gz MTKZTWARGXQHGR-UHFFFAOYSA-N 1 2 231.270 1.990 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(O)cc(F)c1 ZINC000490985489 388263694 /nfs/dbraw/zinc/26/36/94/388263694.db2.gz MTKZTWARGXQHGR-UHFFFAOYSA-N 1 2 231.270 1.990 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000491143496 388272661 /nfs/dbraw/zinc/27/26/61/388272661.db2.gz GILPCVHHAGHCMX-ZDUSSCGKSA-N 1 2 244.338 1.771 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000491143496 388272663 /nfs/dbraw/zinc/27/26/63/388272663.db2.gz GILPCVHHAGHCMX-ZDUSSCGKSA-N 1 2 244.338 1.771 20 30 BDEDLO C#CC[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000491166612 388273994 /nfs/dbraw/zinc/27/39/94/388273994.db2.gz STAQAIRGYROWON-NSHDSACASA-N 1 2 235.287 1.069 20 30 BDEDLO CC[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1[nH]cc[nH+]1 ZINC000442802727 388367355 /nfs/dbraw/zinc/36/73/55/388367355.db2.gz QKYRGKDAHYHKOL-SECBINFHSA-N 1 2 243.270 1.491 20 30 BDEDLO CCOC(=O)C[N@H+](C)CCC(C)(C)C#N ZINC000087594767 135158935 /nfs/dbraw/zinc/15/89/35/135158935.db2.gz RRQOKRPJBJGAQJ-UHFFFAOYSA-N 1 2 212.293 1.421 20 30 BDEDLO CCOC(=O)C[N@@H+](C)CCC(C)(C)C#N ZINC000087594767 135158936 /nfs/dbraw/zinc/15/89/36/135158936.db2.gz RRQOKRPJBJGAQJ-UHFFFAOYSA-N 1 2 212.293 1.421 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000059514922 388398303 /nfs/dbraw/zinc/39/83/03/388398303.db2.gz YHRVXESGLHPFKQ-UHFFFAOYSA-N 1 2 226.283 1.928 20 30 BDEDLO C[C@H](C[N@H+](C)CCC#N)NC(=O)OC(C)(C)C ZINC000492258726 388339568 /nfs/dbraw/zinc/33/95/68/388339568.db2.gz NCJFJZJWQCIWDI-SNVBAGLBSA-N 1 2 241.335 1.745 20 30 BDEDLO C[C@H](C[N@@H+](C)CCC#N)NC(=O)OC(C)(C)C ZINC000492258726 388339569 /nfs/dbraw/zinc/33/95/69/388339569.db2.gz NCJFJZJWQCIWDI-SNVBAGLBSA-N 1 2 241.335 1.745 20 30 BDEDLO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000548093592 388509816 /nfs/dbraw/zinc/50/98/16/388509816.db2.gz PESGUWRMVBJKNS-LLVKDONJSA-N 1 2 237.303 1.799 20 30 BDEDLO C=CCOCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000548093592 388509819 /nfs/dbraw/zinc/50/98/19/388509819.db2.gz PESGUWRMVBJKNS-LLVKDONJSA-N 1 2 237.303 1.799 20 30 BDEDLO N#Cc1csc(CN2CCn3c[nH+]cc3C2)n1 ZINC000356275927 388605841 /nfs/dbraw/zinc/60/58/41/388605841.db2.gz GKTICPXKUHNCBI-UHFFFAOYSA-N 1 2 245.311 1.227 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCCCC1 ZINC000517650711 388556476 /nfs/dbraw/zinc/55/64/76/388556476.db2.gz IQPAHXKBWGUTKC-ZDUSSCGKSA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062007 388567338 /nfs/dbraw/zinc/56/73/38/388567338.db2.gz UPMRDKJDNLRKJY-UHFFFAOYSA-N 1 2 237.347 1.528 20 30 BDEDLO CCCCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062007 388567341 /nfs/dbraw/zinc/56/73/41/388567341.db2.gz UPMRDKJDNLRKJY-UHFFFAOYSA-N 1 2 237.347 1.528 20 30 BDEDLO CN(Cc1ccc(C#N)s1)Cc1[nH+]ccn1C ZINC000272756302 388573671 /nfs/dbraw/zinc/57/36/71/388573671.db2.gz KPAPDFRKGUEIHG-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)cc1F)C1COC1 ZINC000449429062 388749124 /nfs/dbraw/zinc/74/91/24/388749124.db2.gz WGSAPCJFJALCNV-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)C1COC1 ZINC000449429062 388749127 /nfs/dbraw/zinc/74/91/27/388749127.db2.gz WGSAPCJFJALCNV-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO CCn1ncc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000527737883 388700140 /nfs/dbraw/zinc/70/01/40/388700140.db2.gz ZSSRMKZGYUGTLD-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO C=CCCCCC[NH+]1CCS(=O)CC1 ZINC000193343255 388701468 /nfs/dbraw/zinc/70/14/68/388701468.db2.gz CNNZSXXYVRNASR-UHFFFAOYSA-N 1 2 215.362 1.797 20 30 BDEDLO C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC000193508464 388707340 /nfs/dbraw/zinc/70/73/40/388707340.db2.gz WCRLNVJDQBURCB-UHFFFAOYSA-N 1 2 245.326 1.747 20 30 BDEDLO C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC000193508464 388707344 /nfs/dbraw/zinc/70/73/44/388707344.db2.gz WCRLNVJDQBURCB-UHFFFAOYSA-N 1 2 245.326 1.747 20 30 BDEDLO CC[N@@H+](Cc1cnn(C)c1)C[C@H](C#N)CCC#N ZINC000195519442 388712507 /nfs/dbraw/zinc/71/25/07/388712507.db2.gz ODSUTTYSUOPOAG-LBPRGKRZSA-N 1 2 245.330 1.686 20 30 BDEDLO CC[N@H+](Cc1cnn(C)c1)C[C@H](C#N)CCC#N ZINC000195519442 388712509 /nfs/dbraw/zinc/71/25/09/388712509.db2.gz ODSUTTYSUOPOAG-LBPRGKRZSA-N 1 2 245.330 1.686 20 30 BDEDLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)ccc1C#N ZINC000335405551 388830532 /nfs/dbraw/zinc/83/05/32/388830532.db2.gz DGEXTTVWOAERQE-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)ccc1C#N ZINC000335405551 388830537 /nfs/dbraw/zinc/83/05/37/388830537.db2.gz DGEXTTVWOAERQE-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000565408680 388941653 /nfs/dbraw/zinc/94/16/53/388941653.db2.gz VYQYVYOLXAKKDQ-ZANVPECISA-N 1 2 240.266 1.823 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289660368 533297796 /nfs/dbraw/zinc/29/77/96/533297796.db2.gz YODXPNFTLKDOIS-QMMMGPOBSA-N 1 2 238.312 1.300 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332339525 134004528 /nfs/dbraw/zinc/00/45/28/134004528.db2.gz DQEUJJDSFYDBBI-GXFFZTMASA-N 1 2 249.314 1.400 20 30 BDEDLO Cn1c[nH+]cc1Cc1noc(C(C)(C)C#N)n1 ZINC000332719453 134009554 /nfs/dbraw/zinc/00/95/54/134009554.db2.gz QXLRHIJTLPVZJK-UHFFFAOYSA-N 1 2 231.259 1.195 20 30 BDEDLO C[C@@H](C#N)CN(C)Cc1c[nH+]c2ccccn12 ZINC000352086577 134061243 /nfs/dbraw/zinc/06/12/43/134061243.db2.gz FDIFFGABLAJZDK-NSHDSACASA-N 1 2 228.299 1.926 20 30 BDEDLO COCCC(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330457668 134087601 /nfs/dbraw/zinc/08/76/01/134087601.db2.gz OTBGARFMTMOKAR-UHFFFAOYSA-N 1 2 225.292 1.838 20 30 BDEDLO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1nncn1C ZINC000352469396 134146435 /nfs/dbraw/zinc/14/64/35/134146435.db2.gz XGFMLCLICCGMJH-SNVBAGLBSA-N 1 2 233.319 1.406 20 30 BDEDLO N#CCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353020916 134158812 /nfs/dbraw/zinc/15/88/12/134158812.db2.gz BQYXCXIYDGJRCK-MRVPVSSYSA-N 1 2 204.220 1.461 20 30 BDEDLO N#CCC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353020916 134158813 /nfs/dbraw/zinc/15/88/13/134158813.db2.gz BQYXCXIYDGJRCK-MRVPVSSYSA-N 1 2 204.220 1.461 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000357608427 134184352 /nfs/dbraw/zinc/18/43/52/134184352.db2.gz ROQMPTQDOQKIRV-JTQLQIEISA-N 1 2 234.303 1.036 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000357608427 134184353 /nfs/dbraw/zinc/18/43/53/134184353.db2.gz ROQMPTQDOQKIRV-JTQLQIEISA-N 1 2 234.303 1.036 20 30 BDEDLO C=CC[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000358530614 134190043 /nfs/dbraw/zinc/19/00/43/134190043.db2.gz RQDJXZOYZBNKEJ-SECBINFHSA-N 1 2 232.287 1.615 20 30 BDEDLO N#CCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000358980353 134193325 /nfs/dbraw/zinc/19/33/25/134193325.db2.gz HTMFQLIBIYXMRQ-GFCCVEGCSA-N 1 2 241.298 1.787 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000362162065 134209157 /nfs/dbraw/zinc/20/91/57/134209157.db2.gz PAKLKLCIJYFRNP-SNVBAGLBSA-N 1 2 221.304 1.639 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000362193113 134209377 /nfs/dbraw/zinc/20/93/77/134209377.db2.gz XSTKLRLBWNXWLB-UHFFFAOYSA-N 1 2 223.324 1.436 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000362193113 134209378 /nfs/dbraw/zinc/20/93/78/134209378.db2.gz XSTKLRLBWNXWLB-UHFFFAOYSA-N 1 2 223.324 1.436 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCn2cc(C)nc2C1 ZINC000374646552 134238000 /nfs/dbraw/zinc/23/80/00/134238000.db2.gz LNGDCTJOXOIYLU-GFCCVEGCSA-N 1 2 235.331 1.334 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000374646552 134238001 /nfs/dbraw/zinc/23/80/01/134238001.db2.gz LNGDCTJOXOIYLU-GFCCVEGCSA-N 1 2 235.331 1.334 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)C ZINC000173543695 134275450 /nfs/dbraw/zinc/27/54/50/134275450.db2.gz MDHLQEHIVNSKBW-UHFFFAOYSA-N 1 2 225.336 1.336 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)C ZINC000173543695 134275451 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/nfs/dbraw/zinc/05/51/10/323055110.db2.gz ZTESKLNDCGTZOK-WDEREUQCSA-N 1 2 233.315 1.526 20 30 BDEDLO C=CCCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000570668492 323066639 /nfs/dbraw/zinc/06/66/39/323066639.db2.gz ATWOHFMTVXRWTF-LBPRGKRZSA-N 1 2 229.320 1.510 20 30 BDEDLO C[C@@H]1C[C@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000570927374 323074457 /nfs/dbraw/zinc/07/44/57/323074457.db2.gz MMAQZURMNISSLW-GHMZBOCLSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1nccc(OC)c1OC ZINC000563363796 323120963 /nfs/dbraw/zinc/12/09/63/323120963.db2.gz CDFLFBIJHDDERJ-SNVBAGLBSA-N 1 2 249.314 1.881 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C)no1 ZINC000563364632 323121265 /nfs/dbraw/zinc/12/12/65/323121265.db2.gz HYLQSPXBFGPQJS-VIFPVBQESA-N 1 2 236.275 1.203 20 30 BDEDLO C=CCC[C@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000320822886 323183857 /nfs/dbraw/zinc/18/38/57/323183857.db2.gz YPRDQAXWTVGDCU-LLVKDONJSA-N 1 2 209.293 1.135 20 30 BDEDLO Cc1cc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000572004174 323522046 /nfs/dbraw/zinc/52/20/46/323522046.db2.gz BIXJTULIPUSGQA-ZDUSSCGKSA-N 1 2 249.314 1.470 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000121214900 324005223 /nfs/dbraw/zinc/00/52/23/324005223.db2.gz YBYAVHHVKDFCOX-UHFFFAOYSA-N 1 2 228.299 1.830 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000121214900 324005227 /nfs/dbraw/zinc/00/52/27/324005227.db2.gz YBYAVHHVKDFCOX-UHFFFAOYSA-N 1 2 228.299 1.830 20 30 BDEDLO O=C(NO)c1cccc(Cn2cc[nH+]c2)c1 ZINC000671997842 487962720 /nfs/dbraw/zinc/96/27/20/487962720.db2.gz OXLFSSYWHXWVKI-UHFFFAOYSA-N 1 2 217.228 1.050 20 30 BDEDLO N#CCC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000541952616 325000979 /nfs/dbraw/zinc/00/09/79/325000979.db2.gz SZONHTBFZBIZGT-UHFFFAOYSA-N 1 2 246.318 1.134 20 30 BDEDLO CC[N@@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000130728417 325082519 /nfs/dbraw/zinc/08/25/19/325082519.db2.gz KIZXKDNXBLDALU-UHFFFAOYSA-N 1 2 241.335 1.747 20 30 BDEDLO CC[N@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000130728417 325082523 /nfs/dbraw/zinc/08/25/23/325082523.db2.gz KIZXKDNXBLDALU-UHFFFAOYSA-N 1 2 241.335 1.747 20 30 BDEDLO C=CC[C@H](CC)NC(=O)Cc1c[nH+]cn1C ZINC000545279679 325205977 /nfs/dbraw/zinc/20/59/77/325205977.db2.gz COYUARCCNPMIKH-JTQLQIEISA-N 1 2 221.304 1.434 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000134906323 325382170 /nfs/dbraw/zinc/38/21/70/325382170.db2.gz FHSXLPFCWIQITL-CYBMUJFWSA-N 1 2 240.347 1.037 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCCc1c[nH+]cn1C ZINC000135177022 325399056 /nfs/dbraw/zinc/39/90/56/325399056.db2.gz CIEJHRGFEGDXKN-CYBMUJFWSA-N 1 2 235.331 1.681 20 30 BDEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)o2)no1 ZINC000135483197 325414446 /nfs/dbraw/zinc/41/44/46/325414446.db2.gz YEHYAQQCMWFWQS-UHFFFAOYSA-N 1 2 217.228 1.738 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCCC1 ZINC000566537950 326062028 /nfs/dbraw/zinc/06/20/28/326062028.db2.gz YXTKEVQSUSFTGO-ZDUSSCGKSA-N 1 2 237.347 1.527 20 30 BDEDLO C[C@@H](C#N)C[N@H+](Cc1ncccc1O)C1CC1 ZINC000566764042 326081003 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VPELKANZDXOPGG-UHFFFAOYSA-N 1 2 218.687 1.803 20 30 BDEDLO C=CCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492769827 527173110 /nfs/dbraw/zinc/17/31/10/527173110.db2.gz PXQZIYYGJCMQQH-SREVYHEPSA-N 1 2 219.288 1.848 20 30 BDEDLO C#C[C@H](CCC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491451645 527367091 /nfs/dbraw/zinc/36/70/91/527367091.db2.gz GZTXRTYERNUFNL-VXGBXAGGSA-N 1 2 233.315 1.752 20 30 BDEDLO C#C[C@H](CCC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491451643 527367275 /nfs/dbraw/zinc/36/72/75/527367275.db2.gz GZTXRTYERNUFNL-NWDGAFQWSA-N 1 2 233.315 1.752 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000494705766 527574985 /nfs/dbraw/zinc/57/49/85/527574985.db2.gz YAXZELBUQALPPD-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000494705766 527574991 /nfs/dbraw/zinc/57/49/91/527574991.db2.gz YAXZELBUQALPPD-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO CCOC(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000492795539 528994503 /nfs/dbraw/zinc/99/45/03/528994503.db2.gz 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/nfs/dbraw/zinc/80/13/72/536801372.db2.gz WVCJKYNKLXRJCL-UHFFFAOYSA-N 1 2 248.330 1.470 20 30 BDEDLO COCC1(C#N)CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000356286679 536801380 /nfs/dbraw/zinc/80/13/80/536801380.db2.gz WVCJKYNKLXRJCL-UHFFFAOYSA-N 1 2 248.330 1.470 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000854693369 583090631 /nfs/dbraw/zinc/09/06/31/583090631.db2.gz QWZVLBUXPBDVQB-ZWNOBZJWSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000854693369 583090633 /nfs/dbraw/zinc/09/06/33/583090633.db2.gz QWZVLBUXPBDVQB-ZWNOBZJWSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000854702666 583091425 /nfs/dbraw/zinc/09/14/25/583091425.db2.gz VYAGCRZGTSEEBE-LBPRGKRZSA-N 1 2 219.288 1.179 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000854702666 583091428 /nfs/dbraw/zinc/09/14/28/583091428.db2.gz VYAGCRZGTSEEBE-LBPRGKRZSA-N 1 2 219.288 1.179 20 30 BDEDLO N#CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000894085099 583295332 /nfs/dbraw/zinc/29/53/32/583295332.db2.gz YTKRIGWTKRZYBC-UHFFFAOYSA-N 1 2 218.304 1.686 20 30 BDEDLO Cn1cc(C[NH2+]CCC#N)c(C2CC2)n1 ZINC000894081897 583294186 /nfs/dbraw/zinc/29/41/86/583294186.db2.gz INEIQFOVVKPCLX-UHFFFAOYSA-N 1 2 204.277 1.301 20 30 BDEDLO C=CCNC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853044348 588717614 /nfs/dbraw/zinc/71/76/14/588717614.db2.gz HSDNBQFTRUEEJV-MRVPVSSYSA-N 1 2 224.333 1.131 20 30 BDEDLO C#Cc1cccnc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000853251196 588729469 /nfs/dbraw/zinc/72/94/69/588729469.db2.gz OOCOCMSOWCQHFO-GFCCVEGCSA-N 1 2 245.326 1.196 20 30 BDEDLO C#Cc1cccnc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000853251196 588729470 /nfs/dbraw/zinc/72/94/70/588729470.db2.gz OOCOCMSOWCQHFO-GFCCVEGCSA-N 1 2 245.326 1.196 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1ccncc1F ZINC000853403497 588741317 /nfs/dbraw/zinc/74/13/17/588741317.db2.gz YRANZEUOLQNKCZ-UHFFFAOYSA-N 1 2 247.277 1.866 20 30 BDEDLO N#Cc1ccc(N[C@H]2CCn3cc[nH+]c32)nn1 ZINC000853650887 588752264 /nfs/dbraw/zinc/75/22/64/588752264.db2.gz MVGNLJMSTVEKHR-VIFPVBQESA-N 1 2 226.243 1.102 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000853698037 588757583 /nfs/dbraw/zinc/75/75/83/588757583.db2.gz LQOAZNFNOYIBPM-SSDOTTSWSA-N 1 2 204.657 1.416 20 30 BDEDLO CC(C)c1nc(N2CC(CC#N)C2)cc[nH+]1 ZINC000853804992 588764436 /nfs/dbraw/zinc/76/44/36/588764436.db2.gz RYRBFDHNBTZPBD-UHFFFAOYSA-N 1 2 216.288 1.950 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000854074503 588773459 /nfs/dbraw/zinc/77/34/59/588773459.db2.gz DFDBUEAYRGBVHG-NSHDSACASA-N 1 2 246.314 1.129 20 30 BDEDLO C=CCCc1noc([C@@H]([NH3+])COC(C)C)n1 ZINC000854159567 588777240 /nfs/dbraw/zinc/77/72/40/588777240.db2.gz GJGYCBPKAFMTFX-VIFPVBQESA-N 1 2 225.292 1.613 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)CCCn1cc[nH+]c1 ZINC000854696462 588802482 /nfs/dbraw/zinc/80/24/82/588802482.db2.gz FQCXUYTVBQWWBE-ZDUSSCGKSA-N 1 2 233.315 1.581 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000890554263 582474048 /nfs/dbraw/zinc/47/40/48/582474048.db2.gz LTGKOWPZYVGDRM-MNOVXSKESA-N 1 2 245.326 1.692 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000890554263 582474049 /nfs/dbraw/zinc/47/40/49/582474049.db2.gz LTGKOWPZYVGDRM-MNOVXSKESA-N 1 2 245.326 1.692 20 30 BDEDLO C=CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000855436466 588836806 /nfs/dbraw/zinc/83/68/06/588836806.db2.gz CBXSKVIEWUBZKP-NSHDSACASA-N 1 2 233.315 1.767 20 30 BDEDLO Cc1[nH]c(C(=O)NCC#C[C@@H]2CCCCO2)c[nH+]1 ZINC000891126919 582613277 /nfs/dbraw/zinc/61/32/77/582613277.db2.gz OHWYFWGGVPSRSC-NSHDSACASA-N 1 2 247.298 1.020 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000846546259 582656500 /nfs/dbraw/zinc/65/65/00/582656500.db2.gz AVUYVXLBMLDGIQ-NXEZZACHSA-N 1 2 235.287 1.068 20 30 BDEDLO CC(C)[N@H+](CC(N)=O)Cc1csc(C#N)c1 ZINC000891486438 582692397 /nfs/dbraw/zinc/69/23/97/582692397.db2.gz JFAQSCSHVATPOD-UHFFFAOYSA-N 1 2 237.328 1.315 20 30 BDEDLO CC(C)[N@@H+](CC(N)=O)Cc1csc(C#N)c1 ZINC000891486438 582692399 /nfs/dbraw/zinc/69/23/99/582692399.db2.gz JFAQSCSHVATPOD-UHFFFAOYSA-N 1 2 237.328 1.315 20 30 BDEDLO CCNC(=O)C[N@H+](C)Cc1csc(C#N)c1 ZINC000891737028 582715373 /nfs/dbraw/zinc/71/53/73/582715373.db2.gz VHZMDAYHPNYNII-UHFFFAOYSA-N 1 2 237.328 1.188 20 30 BDEDLO CCNC(=O)C[N@@H+](C)Cc1csc(C#N)c1 ZINC000891737028 582715376 /nfs/dbraw/zinc/71/53/76/582715376.db2.gz VHZMDAYHPNYNII-UHFFFAOYSA-N 1 2 237.328 1.188 20 30 BDEDLO C#CCN(CC#C)Cc1[nH+]ccn1C1CC1 ZINC000892059153 582778923 /nfs/dbraw/zinc/77/89/23/582778923.db2.gz XHAVTZZDTRORQL-UHFFFAOYSA-N 1 2 213.284 1.286 20 30 BDEDLO C=CC[C@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC000893162233 583060241 /nfs/dbraw/zinc/06/02/41/583060241.db2.gz JAQPBHFFFWCBEK-LLVKDONJSA-N 1 2 235.331 1.950 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893528070 583157887 /nfs/dbraw/zinc/15/78/87/583157887.db2.gz TVXSVJYBNHNXJX-GHMZBOCLSA-N 1 2 248.330 1.117 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893528070 583157888 /nfs/dbraw/zinc/15/78/88/583157888.db2.gz TVXSVJYBNHNXJX-GHMZBOCLSA-N 1 2 248.330 1.117 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000893545230 583161193 /nfs/dbraw/zinc/16/11/93/583161193.db2.gz QLYCKRGSNLCMGF-MRVPVSSYSA-N 1 2 231.255 1.783 20 30 BDEDLO Cc1cc(N)nc(N(C)CC(C)(C)C#N)[nH+]1 ZINC000893975225 583265071 /nfs/dbraw/zinc/26/50/71/583265071.db2.gz ACENRVQEJQRDET-UHFFFAOYSA-N 1 2 219.292 1.353 20 30 BDEDLO COC(=O)[C@@H]1[C@H](C[N@H+](C)[C@H](C)CC#N)C1(F)F ZINC000894001210 583271664 /nfs/dbraw/zinc/27/16/64/583271664.db2.gz DZZQWFILDHZINX-VGMNWLOBSA-N 1 2 246.257 1.275 20 30 BDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](C)[C@H](C)CC#N)C1(F)F ZINC000894001210 583271667 /nfs/dbraw/zinc/27/16/67/583271667.db2.gz DZZQWFILDHZINX-VGMNWLOBSA-N 1 2 246.257 1.275 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000857191769 588892358 /nfs/dbraw/zinc/89/23/58/588892358.db2.gz SDYVIURAIFFRTP-JTQLQIEISA-N 1 2 233.315 1.605 20 30 BDEDLO N#CC1(C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000894204317 583339829 /nfs/dbraw/zinc/33/98/29/583339829.db2.gz LXVVNZNDUFADEJ-UHFFFAOYSA-N 1 2 243.266 1.927 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894426704 583456513 /nfs/dbraw/zinc/45/65/13/583456513.db2.gz CAFGNNYDRBUBNX-NSHDSACASA-N 1 2 230.315 1.392 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894426704 583456515 /nfs/dbraw/zinc/45/65/15/583456515.db2.gz CAFGNNYDRBUBNX-NSHDSACASA-N 1 2 230.315 1.392 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000894573724 583486842 /nfs/dbraw/zinc/48/68/42/583486842.db2.gz GKGDFIAJPRZCCG-JTQLQIEISA-N 1 2 249.383 1.663 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000894573724 583486844 /nfs/dbraw/zinc/48/68/44/583486844.db2.gz GKGDFIAJPRZCCG-JTQLQIEISA-N 1 2 249.383 1.663 20 30 BDEDLO C#CC[C@H](COC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894829792 583527415 /nfs/dbraw/zinc/52/74/15/583527415.db2.gz FJANWNMCSARSTH-WDEREUQCSA-N 1 2 234.299 1.585 20 30 BDEDLO C=CCN(CCC#N)Cc1c(C)cc[nH+]c1N ZINC000894834323 583528780 /nfs/dbraw/zinc/52/87/80/583528780.db2.gz BWMUBFXAWWDZCS-UHFFFAOYSA-N 1 2 230.315 1.874 20 30 BDEDLO CC1(CO)C[NH+](CC#Cc2ccccc2)C1 ZINC000894841056 583529791 /nfs/dbraw/zinc/52/97/91/583529791.db2.gz QKUHTTWZSLGZJZ-UHFFFAOYSA-N 1 2 215.296 1.352 20 30 BDEDLO C=C1CCN(C(=O)NCc2[nH+]ccn2CC)CC1 ZINC000895138911 583602740 /nfs/dbraw/zinc/60/27/40/583602740.db2.gz UMLDDBPZUJJFDI-UHFFFAOYSA-N 1 2 248.330 1.765 20 30 BDEDLO Cc1coc(C[NH2+][C@H]2CCCN(O)C2=O)c1 ZINC000895157234 583608012 /nfs/dbraw/zinc/60/80/12/583608012.db2.gz NUTQHCASDLQWDB-JTQLQIEISA-N 1 2 224.260 1.058 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895184826 583619329 /nfs/dbraw/zinc/61/93/29/583619329.db2.gz XCYVQXZFRVNANB-LBPRGKRZSA-N 1 2 217.316 1.872 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895184826 583619330 /nfs/dbraw/zinc/61/93/30/583619330.db2.gz XCYVQXZFRVNANB-LBPRGKRZSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000895192134 583621630 /nfs/dbraw/zinc/62/16/30/583621630.db2.gz XPCUMCYEGKWSFM-NSHDSACASA-N 1 2 230.315 1.392 20 30 BDEDLO C#CC[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000895192134 583621631 /nfs/dbraw/zinc/62/16/31/583621631.db2.gz XPCUMCYEGKWSFM-NSHDSACASA-N 1 2 230.315 1.392 20 30 BDEDLO C#CC[N@H+](Cc1ccoc1)C1CSC1 ZINC000895814529 583734325 /nfs/dbraw/zinc/73/43/25/583734325.db2.gz VGNNXOVESVVPAQ-UHFFFAOYSA-N 1 2 207.298 1.830 20 30 BDEDLO C#CC[N@@H+](Cc1ccoc1)C1CSC1 ZINC000895814529 583734328 /nfs/dbraw/zinc/73/43/28/583734328.db2.gz VGNNXOVESVVPAQ-UHFFFAOYSA-N 1 2 207.298 1.830 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000896004134 583762256 /nfs/dbraw/zinc/76/22/56/583762256.db2.gz PVXCMWMKZCOTOT-GHMZBOCLSA-N 1 2 229.320 1.245 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979444 588927507 /nfs/dbraw/zinc/92/75/07/588927507.db2.gz OUCCTNWSGSHXKL-VIFPVBQESA-N 1 2 232.287 1.384 20 30 BDEDLO N#CCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979037 588927574 /nfs/dbraw/zinc/92/75/74/588927574.db2.gz SVTPOHWVDHHKFH-LLVKDONJSA-N 1 2 246.314 1.918 20 30 BDEDLO C#CCCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913011 583854023 /nfs/dbraw/zinc/85/40/23/583854023.db2.gz LERNERTXPWRFRY-UHFFFAOYSA-N 1 2 233.315 1.836 20 30 BDEDLO Cc1[nH]c(CNC(=O)C(C)(C)C#N)[nH+]c1C ZINC000896921868 583857126 /nfs/dbraw/zinc/85/71/26/583857126.db2.gz IFZNHCVDMITIHS-UHFFFAOYSA-N 1 2 220.276 1.193 20 30 BDEDLO C#CCN(CC#N)Cc1[nH+]ccc2c1CCCC2 ZINC000897164148 583887939 /nfs/dbraw/zinc/88/79/39/583887939.db2.gz JSXVOPXWZGJGDY-UHFFFAOYSA-N 1 2 239.322 1.919 20 30 BDEDLO C#CC1(O)C[NH+](Cc2csc(C)c2C)C1 ZINC000898144795 584086463 /nfs/dbraw/zinc/08/64/63/584086463.db2.gz MZHIYNYHQDYHCO-UHFFFAOYSA-N 1 2 221.325 1.545 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(C#N)c1O ZINC000866275699 584117075 /nfs/dbraw/zinc/11/70/75/584117075.db2.gz OOXZQKBQPRZUPK-WDEREUQCSA-N 1 2 248.326 1.933 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)N(C)CC#N ZINC000900450587 584312323 /nfs/dbraw/zinc/31/23/23/584312323.db2.gz AWAXJZYPHBFOCU-UHFFFAOYSA-N 1 2 218.260 1.027 20 30 BDEDLO N#CCCCCNC(=O)CNc1cccc[nH+]1 ZINC000900573709 584327488 /nfs/dbraw/zinc/32/74/88/584327488.db2.gz NEMWMXJAQYRUAQ-UHFFFAOYSA-N 1 2 232.287 1.304 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)NC[C@H](C)C#N ZINC000900649325 584335928 /nfs/dbraw/zinc/33/59/28/584335928.db2.gz MYBJIDIXHHYSKI-MRVPVSSYSA-N 1 2 232.287 1.321 20 30 BDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900737770 584347532 /nfs/dbraw/zinc/34/75/32/584347532.db2.gz ZFTAYECVOYDHGB-GXFFZTMASA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900737770 584347533 /nfs/dbraw/zinc/34/75/33/584347533.db2.gz ZFTAYECVOYDHGB-GXFFZTMASA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900737769 584347545 /nfs/dbraw/zinc/34/75/45/584347545.db2.gz ZFTAYECVOYDHGB-GWCFXTLKSA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900737769 584347546 /nfs/dbraw/zinc/34/75/46/584347546.db2.gz ZFTAYECVOYDHGB-GWCFXTLKSA-N 1 2 246.314 1.541 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900971355 584368925 /nfs/dbraw/zinc/36/89/25/584368925.db2.gz GIXBLPDHDAWEQX-SECBINFHSA-N 1 2 220.276 1.007 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900971355 584368927 /nfs/dbraw/zinc/36/89/27/584368927.db2.gz GIXBLPDHDAWEQX-SECBINFHSA-N 1 2 220.276 1.007 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(C)[nH+]cc1C#N ZINC000858858483 588978686 /nfs/dbraw/zinc/97/86/86/588978686.db2.gz IOUFTAPJXGJTGW-ZDUSSCGKSA-N 1 2 243.310 1.524 20 30 BDEDLO Cc1cc(C=NN[C@H](C)CO)c2c([nH+]1)CCCC2 ZINC000901193670 584396953 /nfs/dbraw/zinc/39/69/53/584396953.db2.gz ADGBOXRZZAIFCS-LLVKDONJSA-N 1 2 247.342 1.573 20 30 BDEDLO Cc1cc(C=NNC[C@H](C)O)c2c([nH+]1)CCCC2 ZINC000901247904 584408700 /nfs/dbraw/zinc/40/87/00/584408700.db2.gz NTGVQHOMIFBMTB-NSHDSACASA-N 1 2 247.342 1.573 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1nccn1C ZINC000901474264 584448123 /nfs/dbraw/zinc/44/81/23/584448123.db2.gz LQUFBNIQBGGNIR-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2cnnn2C)[nH+]c1C ZINC000901511497 584454969 /nfs/dbraw/zinc/45/49/69/584454969.db2.gz VRAVRWIXVCTVMY-SNAWJCMRSA-N 1 2 231.259 1.051 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cn(CC)cn1)[C@@H]1CCCO1 ZINC000902487471 584626480 /nfs/dbraw/zinc/62/64/80/584626480.db2.gz HBDVSGBSQZOQNL-OLZOCXBDSA-N 1 2 233.315 1.173 20 30 BDEDLO N#CC1(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000903106453 584728678 /nfs/dbraw/zinc/72/86/78/584728678.db2.gz QPGIHNDIZOCKQL-JTQLQIEISA-N 1 2 216.288 1.680 20 30 BDEDLO N#CC1(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000903106453 584728679 /nfs/dbraw/zinc/72/86/79/584728679.db2.gz QPGIHNDIZOCKQL-JTQLQIEISA-N 1 2 216.288 1.680 20 30 BDEDLO N#CC1(C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000903106415 584728714 /nfs/dbraw/zinc/72/87/14/584728714.db2.gz POPWDRYLFZHZTP-VIFPVBQESA-N 1 2 202.261 1.221 20 30 BDEDLO N#CC1(CN[C@H]2CCn3cc[nH+]c32)CC1 ZINC000903106415 584728715 /nfs/dbraw/zinc/72/87/15/584728715.db2.gz POPWDRYLFZHZTP-VIFPVBQESA-N 1 2 202.261 1.221 20 30 BDEDLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903262661 584740570 /nfs/dbraw/zinc/74/05/70/584740570.db2.gz GFVOOWAAGCRFHM-SSDOTTSWSA-N 1 2 247.327 1.897 20 30 BDEDLO C=CCOCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272128 584858675 /nfs/dbraw/zinc/85/86/75/584858675.db2.gz KRZULZIJFGGIEL-UHFFFAOYSA-N 1 2 246.270 1.725 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cn1 ZINC000732059229 584933257 /nfs/dbraw/zinc/93/32/57/584933257.db2.gz XANASLRJDWKJAH-NSHDSACASA-N 1 2 247.273 1.257 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cn1 ZINC000732059229 584933258 /nfs/dbraw/zinc/93/32/58/584933258.db2.gz XANASLRJDWKJAH-NSHDSACASA-N 1 2 247.273 1.257 20 30 BDEDLO Clc1nccnc1N=NCc1[nH]cc[nH+]1 ZINC000733077243 584942784 /nfs/dbraw/zinc/94/27/84/584942784.db2.gz OBBGAQYTMPENCL-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)C#N)c1C ZINC000733892452 584954506 /nfs/dbraw/zinc/95/45/06/584954506.db2.gz CHZGRTHLXGPAIM-MRVPVSSYSA-N 1 2 247.298 1.483 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC000735054599 584972457 /nfs/dbraw/zinc/97/24/57/584972457.db2.gz VIJVLDISYJKLFR-SREVYHEPSA-N 1 2 234.343 1.366 20 30 BDEDLO C=CCONC(=O)NCc1c[nH+]ccc1OC ZINC000838713612 585067155 /nfs/dbraw/zinc/06/71/55/585067155.db2.gz RCETWCCWIIPLMX-UHFFFAOYSA-N 1 2 237.259 1.007 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cnn(CC)n1 ZINC000839065399 585089537 /nfs/dbraw/zinc/08/95/37/585089537.db2.gz ZVYRAPQXDKFFQN-LBPRGKRZSA-N 1 2 220.320 1.839 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cnn(CC)n1 ZINC000839065399 585089538 /nfs/dbraw/zinc/08/95/38/585089538.db2.gz ZVYRAPQXDKFFQN-LBPRGKRZSA-N 1 2 220.320 1.839 20 30 BDEDLO N#CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000839065084 585089753 /nfs/dbraw/zinc/08/97/53/585089753.db2.gz WEJLVZFWJLRWHY-UHFFFAOYSA-N 1 2 201.273 1.574 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OC ZINC000839167365 585095524 /nfs/dbraw/zinc/09/55/24/585095524.db2.gz FNNMSCOLIRYIRZ-CMPLNLGQSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000839169146 585095977 /nfs/dbraw/zinc/09/59/77/585095977.db2.gz QPRWFWYMXZJVTD-USZNOCQGSA-N 1 2 239.315 1.097 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OC ZINC000839169437 585096054 /nfs/dbraw/zinc/09/60/54/585096054.db2.gz RHZPBLIXMPRCBK-WDEREUQCSA-N 1 2 223.316 1.720 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000839188228 585097010 /nfs/dbraw/zinc/09/70/10/585097010.db2.gz ANKFVNVUYVHLSA-LBPRGKRZSA-N 1 2 235.258 1.365 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000839188228 585097011 /nfs/dbraw/zinc/09/70/11/585097011.db2.gz ANKFVNVUYVHLSA-LBPRGKRZSA-N 1 2 235.258 1.365 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOc1ccccc1C ZINC000839195246 585098594 /nfs/dbraw/zinc/09/85/94/585098594.db2.gz XTYDGSMDKAKCHG-CQSZACIVSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOc1ccccc1C ZINC000839195246 585098595 /nfs/dbraw/zinc/09/85/95/585098595.db2.gz XTYDGSMDKAKCHG-CQSZACIVSA-N 1 2 245.322 1.708 20 30 BDEDLO C=C(Cl)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741146617 585110399 /nfs/dbraw/zinc/11/03/99/585110399.db2.gz NVFPEEWXPDEKGT-VIFPVBQESA-N 1 2 217.696 1.766 20 30 BDEDLO C=C(Cl)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741146617 585110400 /nfs/dbraw/zinc/11/04/00/585110400.db2.gz NVFPEEWXPDEKGT-VIFPVBQESA-N 1 2 217.696 1.766 20 30 BDEDLO C[C@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000746160008 585164103 /nfs/dbraw/zinc/16/41/03/585164103.db2.gz VJBFFTKHYPWVLQ-GHMZBOCLSA-N 1 2 248.330 1.574 20 30 BDEDLO C[C@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000746160012 585164229 /nfs/dbraw/zinc/16/42/29/585164229.db2.gz VJBFFTKHYPWVLQ-MNOVXSKESA-N 1 2 248.330 1.574 20 30 BDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000746668989 585171812 /nfs/dbraw/zinc/17/18/12/585171812.db2.gz CDSWMAREZPNPOB-LLVKDONJSA-N 1 2 228.295 1.313 20 30 BDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000746668989 585171813 /nfs/dbraw/zinc/17/18/13/585171813.db2.gz CDSWMAREZPNPOB-LLVKDONJSA-N 1 2 228.295 1.313 20 30 BDEDLO CC(C)(O)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000749983112 585209006 /nfs/dbraw/zinc/20/90/06/585209006.db2.gz MVPKLDZGXWTOIK-UHFFFAOYSA-N 1 2 240.278 1.624 20 30 BDEDLO CCC(C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936399 585272580 /nfs/dbraw/zinc/27/25/80/585272580.db2.gz SDJSXZHACWIOOO-UWVGGRQHSA-N 1 2 208.309 1.632 20 30 BDEDLO C#CC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000753972240 585273892 /nfs/dbraw/zinc/27/38/92/585273892.db2.gz ZSVVGNFRJXTLIR-UHFFFAOYSA-N 1 2 239.278 1.873 20 30 BDEDLO C[C@@H](C#N)C[N@H+](CCN1CCOC1=O)C1CC1 ZINC000754370542 585283303 /nfs/dbraw/zinc/28/33/03/585283303.db2.gz CZYDTXHMHQYKOA-JTQLQIEISA-N 1 2 237.303 1.063 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](CCN1CCOC1=O)C1CC1 ZINC000754370542 585283304 /nfs/dbraw/zinc/28/33/04/585283304.db2.gz CZYDTXHMHQYKOA-JTQLQIEISA-N 1 2 237.303 1.063 20 30 BDEDLO Cc1[nH]c[nH+]c1CN=Nc1cc(C)ccn1 ZINC000755771114 585306601 /nfs/dbraw/zinc/30/66/01/585306601.db2.gz SIBZHRKNNUANSR-UHFFFAOYSA-N 1 2 215.260 1.868 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000839613673 585332297 /nfs/dbraw/zinc/33/22/97/585332297.db2.gz WPYCPKRCWNOLQQ-QMMMGPOBSA-N 1 2 211.639 1.441 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000839613673 585332298 /nfs/dbraw/zinc/33/22/98/585332298.db2.gz WPYCPKRCWNOLQQ-QMMMGPOBSA-N 1 2 211.639 1.441 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1ccoc1 ZINC000790301878 585403064 /nfs/dbraw/zinc/40/30/64/585403064.db2.gz KIJZMMFRFCBQLB-UHFFFAOYSA-N 1 2 204.233 1.849 20 30 BDEDLO N#CCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000763249664 585445027 /nfs/dbraw/zinc/44/50/27/585445027.db2.gz FJIHSGDNIWNMAC-UHFFFAOYSA-N 1 2 240.266 1.402 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763696246 585452813 /nfs/dbraw/zinc/45/28/13/585452813.db2.gz IXZUBFVLRMNTMO-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763696246 585452814 /nfs/dbraw/zinc/45/28/14/585452814.db2.gz IXZUBFVLRMNTMO-SNVBAGLBSA-N 1 2 222.288 1.318 20 30 BDEDLO CC#CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000764056377 585459111 /nfs/dbraw/zinc/45/91/11/585459111.db2.gz UNGRFXOOQOYIIP-UHFFFAOYSA-N 1 2 227.267 1.016 20 30 BDEDLO C#CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC000764515350 585467385 /nfs/dbraw/zinc/46/73/85/585467385.db2.gz PKDBMYULJOXWLO-UHFFFAOYSA-N 1 2 227.267 1.430 20 30 BDEDLO CC(C)[C@H](C#N)N1CC[NH+](C/C=C\Cl)CC1 ZINC000767898929 585527804 /nfs/dbraw/zinc/52/78/04/585527804.db2.gz ILFPJBFFIKFCJW-MVZIDQBPSA-N 1 2 241.766 1.905 20 30 BDEDLO C#CCCN(Cc1c[nH+]cn1C)CC(F)(F)F ZINC000767899739 585527894 /nfs/dbraw/zinc/52/78/94/585527894.db2.gz LOCGVBCBJFGWLR-UHFFFAOYSA-N 1 2 245.248 1.808 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000768178788 585533399 /nfs/dbraw/zinc/53/33/99/585533399.db2.gz YZKRBSKTZQTWAS-UHFFFAOYSA-N 1 2 205.261 1.075 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000768178788 585533400 /nfs/dbraw/zinc/53/34/00/585533400.db2.gz YZKRBSKTZQTWAS-UHFFFAOYSA-N 1 2 205.261 1.075 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc2c1OCO2 ZINC000769447622 585556804 /nfs/dbraw/zinc/55/68/04/585556804.db2.gz IBMUKJPFTWKQCT-UHFFFAOYSA-N 1 2 241.290 1.874 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc2c1OCO2 ZINC000769447622 585556805 /nfs/dbraw/zinc/55/68/05/585556805.db2.gz IBMUKJPFTWKQCT-UHFFFAOYSA-N 1 2 241.290 1.874 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c(O)cccc1OC ZINC000769448406 585556945 /nfs/dbraw/zinc/55/69/45/585556945.db2.gz OSEQUUGTOCJCNA-UHFFFAOYSA-N 1 2 243.306 1.859 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c(O)cccc1OC ZINC000769448406 585556946 /nfs/dbraw/zinc/55/69/46/585556946.db2.gz OSEQUUGTOCJCNA-UHFFFAOYSA-N 1 2 243.306 1.859 20 30 BDEDLO C=CCOCC(=O)OCc1c[nH+]ccc1OC ZINC000805445155 585598847 /nfs/dbraw/zinc/59/88/47/585598847.db2.gz IRZRJBWXPZCSSC-UHFFFAOYSA-N 1 2 237.255 1.336 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771941867 585605153 /nfs/dbraw/zinc/60/51/53/585605153.db2.gz VUANEVBTZAFNBT-NSHDSACASA-N 1 2 238.287 1.408 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1nnnn1C)c1ccccc1 ZINC000775398065 585677477 /nfs/dbraw/zinc/67/74/77/585677477.db2.gz FAZBKJMIHMVUQG-LBPRGKRZSA-N 1 2 241.298 1.064 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(CC)o1)[C@@H]1CCCO1 ZINC000775783894 585684637 /nfs/dbraw/zinc/68/46/37/585684637.db2.gz FIJXRULXLFNXQO-VWYCJHECSA-N 1 2 249.314 1.463 20 30 BDEDLO COc1cc(C)[nH+]c(CN=Nc2ncccn2)c1 ZINC000776764654 585705257 /nfs/dbraw/zinc/70/52/57/585705257.db2.gz UTLIIGXQOXDRFV-UHFFFAOYSA-N 1 2 243.270 1.635 20 30 BDEDLO CC1(C#N)CC[NH+](CN2CCCC2=O)CC1 ZINC000779878373 585769337 /nfs/dbraw/zinc/76/93/37/585769337.db2.gz IJKOYYXCOIPMTN-UHFFFAOYSA-N 1 2 221.304 1.192 20 30 BDEDLO C#CCCCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000780369208 585778315 /nfs/dbraw/zinc/77/83/15/585778315.db2.gz VXVAJNNYHKASJX-CYBMUJFWSA-N 1 2 247.342 1.972 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(C)=C(\C)CC)CC1 ZINC000780941751 585786882 /nfs/dbraw/zinc/78/68/82/585786882.db2.gz ZZSKPGNKONURLF-OUKQBFOZSA-N 1 2 234.343 1.510 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000781198414 585793021 /nfs/dbraw/zinc/79/30/21/585793021.db2.gz URKOYNDQAOEKII-ZJUUUORDSA-N 1 2 242.344 1.269 20 30 BDEDLO O=C(NO)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000782172516 585808996 /nfs/dbraw/zinc/80/89/96/585808996.db2.gz VVJJVJFVUIPEEY-UHFFFAOYSA-N 1 2 230.223 1.993 20 30 BDEDLO C#CCOCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000784239686 585853271 /nfs/dbraw/zinc/85/32/71/585853271.db2.gz NHXAQQFSHZOVDJ-UHFFFAOYSA-N 1 2 230.271 1.328 20 30 BDEDLO C=CCC[N@@H+](C)Cn1ncn(C)c1=S ZINC000786101241 585887549 /nfs/dbraw/zinc/88/75/49/585887549.db2.gz DPDZRUHUOZVKJP-UHFFFAOYSA-N 1 2 212.322 1.416 20 30 BDEDLO C=CCC[N@H+](C)Cn1ncn(C)c1=S ZINC000786101241 585887550 /nfs/dbraw/zinc/88/75/50/585887550.db2.gz DPDZRUHUOZVKJP-UHFFFAOYSA-N 1 2 212.322 1.416 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@@H](CO)c1ccccc1 ZINC000788469028 585925413 /nfs/dbraw/zinc/92/54/13/585925413.db2.gz MLJGJRKKYFYMTL-ZDUSSCGKSA-N 1 2 244.298 1.375 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCCc1ccncc1 ZINC000789094537 585934909 /nfs/dbraw/zinc/93/49/09/585934909.db2.gz SWFOHHLSGILAQQ-UHFFFAOYSA-N 1 2 229.287 1.279 20 30 BDEDLO Cc1cccnc1N=NC(C)c1[nH]cc[nH+]1 ZINC000790193221 585961263 /nfs/dbraw/zinc/96/12/63/585961263.db2.gz YWDHQJJQMPVBAB-UHFFFAOYSA-N 1 2 215.260 1.949 20 30 BDEDLO C=C(Cl)C[N@@H+](C)Cc1cnn(C)c1C ZINC000790446412 585964883 /nfs/dbraw/zinc/96/48/83/585964883.db2.gz PKWZRSJWVVNLLP-UHFFFAOYSA-N 1 2 213.712 1.913 20 30 BDEDLO C=C(Cl)C[N@H+](C)Cc1cnn(C)c1C ZINC000790446412 585964884 /nfs/dbraw/zinc/96/48/84/585964884.db2.gz PKWZRSJWVVNLLP-UHFFFAOYSA-N 1 2 213.712 1.913 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000794517574 586041252 /nfs/dbraw/zinc/04/12/52/586041252.db2.gz XNHVMDXQTISHTH-RISCZKNCSA-N 1 2 246.285 1.512 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000794517574 586041253 /nfs/dbraw/zinc/04/12/53/586041253.db2.gz XNHVMDXQTISHTH-RISCZKNCSA-N 1 2 246.285 1.512 20 30 BDEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCOC2)cc1 ZINC000794518287 586041266 /nfs/dbraw/zinc/04/12/66/586041266.db2.gz KAGZZIDWHWYSDE-NSHDSACASA-N 1 2 236.271 1.121 20 30 BDEDLO NC(=[NH+]OC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000794517599 586041350 /nfs/dbraw/zinc/04/13/50/586041350.db2.gz FELYEXNQXAYSLI-LLVKDONJSA-N 1 2 238.262 1.642 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000794517576 586041433 /nfs/dbraw/zinc/04/14/33/586041433.db2.gz XNHVMDXQTISHTH-SMDDNHRTSA-N 1 2 246.285 1.512 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000794517576 586041434 /nfs/dbraw/zinc/04/14/34/586041434.db2.gz XNHVMDXQTISHTH-SMDDNHRTSA-N 1 2 246.285 1.512 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(C)n1 ZINC000796441478 586103170 /nfs/dbraw/zinc/10/31/70/586103170.db2.gz BBDFAERJRUQLRG-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccnc(C)n1 ZINC000796441478 586103171 /nfs/dbraw/zinc/10/31/71/586103171.db2.gz BBDFAERJRUQLRG-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)CCc1ccccn1 ZINC000800354854 586213011 /nfs/dbraw/zinc/21/30/11/586213011.db2.gz HANQJWGIBGGDPY-ZDUSSCGKSA-N 1 2 248.326 1.674 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)CCc1ccccn1 ZINC000800354854 586213012 /nfs/dbraw/zinc/21/30/12/586213012.db2.gz HANQJWGIBGGDPY-ZDUSSCGKSA-N 1 2 248.326 1.674 20 30 BDEDLO Cn1c[nH+]c(/C=C2\Cc3cc(O)ccc3C2=O)c1 ZINC000800794733 586229184 /nfs/dbraw/zinc/22/91/84/586229184.db2.gz OVWIIXYGNQJUGQ-BJMVGYQFSA-N 1 2 240.262 1.948 20 30 BDEDLO C[C@@H](C#N)OCCO[NH+]=C(N)Cc1ccccc1 ZINC000802729940 586311135 /nfs/dbraw/zinc/31/11/35/586311135.db2.gz SWTWJHCBCCPYID-NSHDSACASA-N 1 2 247.298 1.656 20 30 BDEDLO C#CCCC[N@H+]1CCOCC(F)(F)C1 ZINC000808783502 586490160 /nfs/dbraw/zinc/49/01/60/586490160.db2.gz DVSVFBJBGTVZGG-UHFFFAOYSA-N 1 2 203.232 1.367 20 30 BDEDLO C#CCCC[N@@H+]1CCOCC(F)(F)C1 ZINC000808783502 586490161 /nfs/dbraw/zinc/49/01/61/586490161.db2.gz DVSVFBJBGTVZGG-UHFFFAOYSA-N 1 2 203.232 1.367 20 30 BDEDLO CON=CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000809702882 586513928 /nfs/dbraw/zinc/51/39/28/586513928.db2.gz ZSQAPMCOWUGPNF-UHFFFAOYSA-N 1 2 246.270 1.452 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1oc(C)nc1C ZINC000809949190 586525716 /nfs/dbraw/zinc/52/57/16/586525716.db2.gz DFKLCXCDKHLUMY-UHFFFAOYSA-N 1 2 216.284 1.750 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1oc(C)nc1C ZINC000809949190 586525717 /nfs/dbraw/zinc/52/57/17/586525717.db2.gz DFKLCXCDKHLUMY-UHFFFAOYSA-N 1 2 216.284 1.750 20 30 BDEDLO C#CCC(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000810753501 586546354 /nfs/dbraw/zinc/54/63/54/586546354.db2.gz BVZNKLNMODPVBT-LLVKDONJSA-N 1 2 241.306 1.623 20 30 BDEDLO C#CCC(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000810753501 586546355 /nfs/dbraw/zinc/54/63/55/586546355.db2.gz BVZNKLNMODPVBT-LLVKDONJSA-N 1 2 241.306 1.623 20 30 BDEDLO C#CCON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000812233826 586571359 /nfs/dbraw/zinc/57/13/59/586571359.db2.gz XSCVCAWSKWYWNF-UHFFFAOYSA-N 1 2 231.280 1.918 20 30 BDEDLO C#CCOc1ccc(C[NH+]2CC(C)(OC)C2)cc1 ZINC000813332229 586600571 /nfs/dbraw/zinc/60/05/71/586600571.db2.gz ROUYHGMACRLNJO-UHFFFAOYSA-N 1 2 245.322 1.919 20 30 BDEDLO C=CCOCC[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000815072825 586665087 /nfs/dbraw/zinc/66/50/87/586665087.db2.gz CIUIFNOCWIQWPI-LLVKDONJSA-N 1 2 243.347 1.756 20 30 BDEDLO CCS(=O)(=O)CC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000815077116 586665095 /nfs/dbraw/zinc/66/50/95/586665095.db2.gz YWEKHZWFOIPGCI-MNOVXSKESA-N 1 2 244.360 1.045 20 30 BDEDLO CCS(=O)(=O)CC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000815077116 586665096 /nfs/dbraw/zinc/66/50/96/586665096.db2.gz YWEKHZWFOIPGCI-MNOVXSKESA-N 1 2 244.360 1.045 20 30 BDEDLO N#CCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000819269685 586945434 /nfs/dbraw/zinc/94/54/34/586945434.db2.gz MUXQDGZBRYTGCJ-SNVBAGLBSA-N 1 2 226.226 1.501 20 30 BDEDLO C[C@H](NN=Cc1c[nH+]cn1C)c1ccncc1 ZINC000819815818 586998568 /nfs/dbraw/zinc/99/85/68/586998568.db2.gz DAZRDLJUOYBNCR-JTQLQIEISA-N 1 2 229.287 1.500 20 30 BDEDLO Cc1cc(N[C@@H]2CCn3cc[nH+]c32)c(C#N)cn1 ZINC000819929643 587003038 /nfs/dbraw/zinc/00/30/38/587003038.db2.gz AIWPQUYBIPGMPC-LLVKDONJSA-N 1 2 239.282 1.437 20 30 BDEDLO N#CC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000820515128 587051982 /nfs/dbraw/zinc/05/19/82/587051982.db2.gz KBOKUYHGKGRITJ-UHFFFAOYSA-N 1 2 226.239 1.158 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821003852 587087592 /nfs/dbraw/zinc/08/75/92/587087592.db2.gz JAQLQSRJSUOURX-GWJCSSMESA-N 1 2 231.299 1.351 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824034465 587250125 /nfs/dbraw/zinc/25/01/25/587250125.db2.gz KFNCJJUAPDSLSP-MRVPVSSYSA-N 1 2 246.274 1.051 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824034465 587250126 /nfs/dbraw/zinc/25/01/26/587250126.db2.gz KFNCJJUAPDSLSP-MRVPVSSYSA-N 1 2 246.274 1.051 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000824264602 587264225 /nfs/dbraw/zinc/26/42/25/587264225.db2.gz PYBGKVYUJUWQDC-NNNHXZLVSA-N 1 2 243.310 1.305 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824629306 587280142 /nfs/dbraw/zinc/28/01/42/587280142.db2.gz SJAMJYVSCIPWGP-JTQLQIEISA-N 1 2 221.304 1.970 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824629306 587280144 /nfs/dbraw/zinc/28/01/44/587280144.db2.gz SJAMJYVSCIPWGP-JTQLQIEISA-N 1 2 221.304 1.970 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c(C2CC2)cnn1C ZINC000824830397 587289183 /nfs/dbraw/zinc/28/91/83/587289183.db2.gz PIYPRKKKRRWQNA-UHFFFAOYSA-N 1 2 241.338 1.756 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c(C2CC2)cnn1C ZINC000824830397 587289184 /nfs/dbraw/zinc/28/91/84/587289184.db2.gz PIYPRKKKRRWQNA-UHFFFAOYSA-N 1 2 241.338 1.756 20 30 BDEDLO C#CC[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000828268225 587429526 /nfs/dbraw/zinc/42/95/26/587429526.db2.gz FZHPOZUFFFAFJO-UHFFFAOYSA-N 1 2 211.268 1.551 20 30 BDEDLO C#CC[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000828268225 587429527 /nfs/dbraw/zinc/42/95/27/587429527.db2.gz FZHPOZUFFFAFJO-UHFFFAOYSA-N 1 2 211.268 1.551 20 30 BDEDLO C#CC[N@@H+](CC[S@@](C)=O)Cc1ccccc1 ZINC000829767861 587514511 /nfs/dbraw/zinc/51/45/11/587514511.db2.gz FWRDQPMCZXHCJZ-MRXNPFEDSA-N 1 2 235.352 1.500 20 30 BDEDLO C#CC[N@H+](CC[S@@](C)=O)Cc1ccccc1 ZINC000829767861 587514512 /nfs/dbraw/zinc/51/45/12/587514512.db2.gz FWRDQPMCZXHCJZ-MRXNPFEDSA-N 1 2 235.352 1.500 20 30 BDEDLO CC(C)C#CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831607794 587623053 /nfs/dbraw/zinc/62/30/53/587623053.db2.gz WILPALTYCKAFQN-NSHDSACASA-N 1 2 231.299 1.733 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000834386356 587754065 /nfs/dbraw/zinc/75/40/65/587754065.db2.gz USGCBFRONFLTKN-UWVGGRQHSA-N 1 2 231.299 1.043 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000834386356 587754066 /nfs/dbraw/zinc/75/40/66/587754066.db2.gz USGCBFRONFLTKN-UWVGGRQHSA-N 1 2 231.299 1.043 20 30 BDEDLO C=CCO[NH+]=Cc1c(Cl)nc(N)n1C ZINC000835014188 587778153 /nfs/dbraw/zinc/77/81/53/587778153.db2.gz BSVRGQDCEOPTPH-UHFFFAOYSA-N 1 2 214.656 1.192 20 30 BDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C#CC1CC1 ZINC000837434872 587872702 /nfs/dbraw/zinc/87/27/02/587872702.db2.gz KJYBMNMKPWBXHW-UHFFFAOYSA-N 1 2 245.326 1.569 20 30 BDEDLO C#CCO[C@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000837842218 587899563 /nfs/dbraw/zinc/89/95/63/587899563.db2.gz KHXCYPYWPDYTRQ-GFCCVEGCSA-N 1 2 247.294 1.780 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1ccn(C)n1)[C@@H]1CCCO1 ZINC000840744973 587919030 /nfs/dbraw/zinc/91/90/30/587919030.db2.gz BHLTZSJTDZEJEJ-MDZLAQPJSA-N 1 2 233.315 1.252 20 30 BDEDLO CCn1c[nH+]cc1C=NNCCc1ccccn1 ZINC000841636850 587964085 /nfs/dbraw/zinc/96/40/85/587964085.db2.gz OEMQMYSUBMYZMK-UHFFFAOYSA-N 1 2 243.314 1.464 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@@H]1CCCOC1 ZINC000841638364 587964753 /nfs/dbraw/zinc/96/47/53/587964753.db2.gz QHVHQSVABLFKKL-SNVBAGLBSA-N 1 2 222.292 1.006 20 30 BDEDLO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)n(C)n1 ZINC000841870532 587979402 /nfs/dbraw/zinc/97/94/02/587979402.db2.gz KRZGJBCBZNVTBT-ZDUSSCGKSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)n(C)n1 ZINC000841870532 587979404 /nfs/dbraw/zinc/97/94/04/587979404.db2.gz KRZGJBCBZNVTBT-ZDUSSCGKSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cc(C(N)=[NH+]OCC[C@@H](C)O)ccc1F ZINC000842023093 587989639 /nfs/dbraw/zinc/98/96/39/587989639.db2.gz SPFOQDQHAKVYBI-SECBINFHSA-N 1 2 240.278 1.542 20 30 BDEDLO CC[C@H](C)CO[NH+]=Cc1cnc(N)nc1N ZINC000842532680 588034663 /nfs/dbraw/zinc/03/46/63/588034663.db2.gz AWRRNUHMEPELRL-ZETCQYMHSA-N 1 2 223.280 1.038 20 30 BDEDLO CC[C@H](C)CON=Cc1c[nH+]c(N)nc1N ZINC000842532680 588034664 /nfs/dbraw/zinc/03/46/64/588034664.db2.gz AWRRNUHMEPELRL-ZETCQYMHSA-N 1 2 223.280 1.038 20 30 BDEDLO C=CCCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842659855 588050897 /nfs/dbraw/zinc/05/08/97/588050897.db2.gz WWJJBVOOROXBPM-NSHDSACASA-N 1 2 242.319 1.504 20 30 BDEDLO CCS(=O)(=O)CC[N@H+](C)[C@H](C)CCC#N ZINC000844309455 588182786 /nfs/dbraw/zinc/18/27/86/588182786.db2.gz LSVVUYUXSGGKEX-SNVBAGLBSA-N 1 2 232.349 1.045 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844320285 588184485 /nfs/dbraw/zinc/18/44/85/588184485.db2.gz IYPAQFSFLQNBQW-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C#CC[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844320285 588184486 /nfs/dbraw/zinc/18/44/86/588184486.db2.gz IYPAQFSFLQNBQW-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C[C@@H]1CC/C(=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000844527738 588200607 /nfs/dbraw/zinc/20/06/07/588200607.db2.gz BQRFSHQRYMFKMD-FFYDSOFISA-N 1 2 249.358 1.693 20 30 BDEDLO N#CC1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844688671 588213745 /nfs/dbraw/zinc/21/37/45/588213745.db2.gz QPKBYVYYNQRQIL-UHFFFAOYSA-N 1 2 247.342 1.725 20 30 BDEDLO CC#CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845281818 588225451 /nfs/dbraw/zinc/22/54/51/588225451.db2.gz KZNFLWBUOKYSCU-SNVBAGLBSA-N 1 2 206.245 1.401 20 30 BDEDLO C#C[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845478813 588229875 /nfs/dbraw/zinc/22/98/75/588229875.db2.gz CUBYZMNJRPEZMC-JTQLQIEISA-N 1 2 232.283 1.327 20 30 BDEDLO C=C(C)CONC(=O)N(C)Cc1[nH+]ccn1C ZINC000845603648 588235523 /nfs/dbraw/zinc/23/55/23/588235523.db2.gz MBXIYOHQKFFREV-UHFFFAOYSA-N 1 2 238.291 1.069 20 30 BDEDLO C=C(C)CONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000846534699 588271045 /nfs/dbraw/zinc/27/10/45/588271045.db2.gz ZAHGYKHBZHJDLM-JTQLQIEISA-N 1 2 235.287 1.069 20 30 BDEDLO COCC1(C/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000846755901 588286112 /nfs/dbraw/zinc/28/61/12/588286112.db2.gz DZDAZOJLEUNIED-AUWJEWJLSA-N 1 2 235.283 1.943 20 30 BDEDLO CON1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000846977058 588300034 /nfs/dbraw/zinc/30/00/34/588300034.db2.gz OJDPNFJMLRNRFS-UHFFFAOYSA-N 1 2 249.289 1.376 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(COC)no2)C1 ZINC000847021742 588302616 /nfs/dbraw/zinc/30/26/16/588302616.db2.gz OIOWHGHBUKZNDO-SNVBAGLBSA-N 1 2 235.287 1.061 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(COC)no2)C1 ZINC000847021742 588302617 /nfs/dbraw/zinc/30/26/17/588302617.db2.gz OIOWHGHBUKZNDO-SNVBAGLBSA-N 1 2 235.287 1.061 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(CC)[nH]2)C1 ZINC000847020891 588302935 /nfs/dbraw/zinc/30/29/35/588302935.db2.gz FQBPWBSEJQECRC-JTQLQIEISA-N 1 2 218.304 1.212 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(CC)[nH]2)C1 ZINC000847020891 588302936 /nfs/dbraw/zinc/30/29/36/588302936.db2.gz FQBPWBSEJQECRC-JTQLQIEISA-N 1 2 218.304 1.212 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(COC)no2)C1 ZINC000847021741 588303014 /nfs/dbraw/zinc/30/30/14/588303014.db2.gz OIOWHGHBUKZNDO-JTQLQIEISA-N 1 2 235.287 1.061 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(COC)no2)C1 ZINC000847021741 588303015 /nfs/dbraw/zinc/30/30/15/588303015.db2.gz OIOWHGHBUKZNDO-JTQLQIEISA-N 1 2 235.287 1.061 20 30 BDEDLO Cc1noc([C@H](C)[N@@H+](C)CCO[C@H](C)C#N)n1 ZINC000847067695 588305648 /nfs/dbraw/zinc/30/56/48/588305648.db2.gz YYSPDKNRVDLZGI-BDAKNGLRSA-N 1 2 238.291 1.300 20 30 BDEDLO Cc1noc([C@H](C)[N@H+](C)CCO[C@H](C)C#N)n1 ZINC000847067695 588305649 /nfs/dbraw/zinc/30/56/49/588305649.db2.gz YYSPDKNRVDLZGI-BDAKNGLRSA-N 1 2 238.291 1.300 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000847116987 588306723 /nfs/dbraw/zinc/30/67/23/588306723.db2.gz QPEYRDHZXFPTEF-MNOVXSKESA-N 1 2 245.326 1.289 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000847116987 588306724 /nfs/dbraw/zinc/30/67/24/588306724.db2.gz QPEYRDHZXFPTEF-MNOVXSKESA-N 1 2 245.326 1.289 20 30 BDEDLO C[C@H]1SCCC1=NNCCCn1cc[nH+]c1 ZINC000848416245 588381514 /nfs/dbraw/zinc/38/15/14/588381514.db2.gz DNOCEGMDGWHHSR-SNVBAGLBSA-N 1 2 238.360 1.744 20 30 BDEDLO C[C@H](CC#N)C(=O)OCCCc1[nH+]ccn1C ZINC000850969830 588580852 /nfs/dbraw/zinc/58/08/52/588580852.db2.gz JRLLYFMYJSECEU-SNVBAGLBSA-N 1 2 235.287 1.446 20 30 BDEDLO C[C@H](CC#N)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000850998211 588583094 /nfs/dbraw/zinc/58/30/94/588583094.db2.gz NXNDPUOQWFPLFW-ZJUUUORDSA-N 1 2 228.267 1.123 20 30 BDEDLO C[C@H](CC#N)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000850998211 588583095 /nfs/dbraw/zinc/58/30/95/588583095.db2.gz NXNDPUOQWFPLFW-ZJUUUORDSA-N 1 2 228.267 1.123 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H]1CCCO1 ZINC000110055466 588609786 /nfs/dbraw/zinc/60/97/86/588609786.db2.gz AFMBXWVBOVHMLX-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H]1CCCO1 ZINC000110055466 588609787 /nfs/dbraw/zinc/60/97/87/588609787.db2.gz AFMBXWVBOVHMLX-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO CCc1nnc([C@H](C)[NH+]2CCC(C#N)CC2)[nH]1 ZINC000851740622 588621525 /nfs/dbraw/zinc/62/15/25/588621525.db2.gz UOZTYAVLJLECNA-VIFPVBQESA-N 1 2 233.319 1.664 20 30 BDEDLO C#CCOCC[N@H+](CC#N)C1CCCC1 ZINC000851778231 588627133 /nfs/dbraw/zinc/62/71/33/588627133.db2.gz FZIHYVFRFQWTKG-UHFFFAOYSA-N 1 2 206.289 1.404 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851793476 588629403 /nfs/dbraw/zinc/62/94/03/588629403.db2.gz FEXWOUKNUWULMK-HZSPNIEDSA-N 1 2 244.338 1.002 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(CC)n1 ZINC000852099078 588662656 /nfs/dbraw/zinc/66/26/56/588662656.db2.gz DATHLHXULFTCDR-NSHDSACASA-N 1 2 207.277 1.524 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCC(=O)O1)C2 ZINC000852214889 588673334 /nfs/dbraw/zinc/67/33/34/588673334.db2.gz LAJHJDLRGKXDLI-LBPRGKRZSA-N 1 2 242.278 1.579 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCC(=O)O1)C2 ZINC000852214889 588673335 /nfs/dbraw/zinc/67/33/35/588673335.db2.gz LAJHJDLRGKXDLI-LBPRGKRZSA-N 1 2 242.278 1.579 20 30 BDEDLO C=CC[N@H+](Cc1nonc1C)[C@H](C)COC ZINC000852357261 588679886 /nfs/dbraw/zinc/67/98/86/588679886.db2.gz ZEMUUYFXYCRMPE-SECBINFHSA-N 1 2 225.292 1.401 20 30 BDEDLO C=CC[N@@H+](Cc1nonc1C)[C@H](C)COC ZINC000852357261 588679887 /nfs/dbraw/zinc/67/98/87/588679887.db2.gz ZEMUUYFXYCRMPE-SECBINFHSA-N 1 2 225.292 1.401 20 30 BDEDLO C[C@@H](C#N)[N@H+](CC[C@@H]1COC(C)(C)O1)C1CC1 ZINC000852481805 588684495 /nfs/dbraw/zinc/68/44/95/588684495.db2.gz QRKHXTMIGFFDPS-CMPLNLGQSA-N 1 2 238.331 1.904 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CC[C@@H]1COC(C)(C)O1)C1CC1 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589192933 /nfs/dbraw/zinc/19/29/33/589192933.db2.gz SGOLXCCZCIDTIR-LLVKDONJSA-N 1 2 249.314 1.378 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@]1(C)CCCS1)C(=O)OC ZINC000862392357 589207861 /nfs/dbraw/zinc/20/78/61/589207861.db2.gz KWXACUPURNVREV-JQWIXIFHSA-N 1 2 241.356 1.427 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000862392636 589208249 /nfs/dbraw/zinc/20/82/49/589208249.db2.gz NYCWPOUEPGLZBI-LPTSXCQYSA-N 1 2 235.327 1.576 20 30 BDEDLO C=CC(C)(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000862395274 589208341 /nfs/dbraw/zinc/20/83/41/589208341.db2.gz YTJHRSZPFSCHCY-UHFFFAOYSA-N 1 2 221.304 1.671 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000862565806 589222846 /nfs/dbraw/zinc/22/28/46/589222846.db2.gz WRPYAOJVAAERME-ZDUSSCGKSA-N 1 2 245.326 1.535 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN1CCOC1=O ZINC000863161482 589265353 /nfs/dbraw/zinc/26/53/53/589265353.db2.gz NWRPTUVTZQOVRZ-UHFFFAOYSA-N 1 2 222.248 1.250 20 30 BDEDLO C[C@@H]1CCC(=[NH+]n2cccn2)[C@H](n2cncn2)C1 ZINC000863163698 589266284 /nfs/dbraw/zinc/26/62/84/589266284.db2.gz MOFVGKFTGLBJIB-ZYHUDNBSSA-N 1 2 244.302 1.740 20 30 BDEDLO CC[N@@H+](CCC(C)(C)C#N)CCS(C)(=O)=O ZINC000120457205 589415814 /nfs/dbraw/zinc/41/58/14/589415814.db2.gz LYQOIMSDWBJBOL-UHFFFAOYSA-N 1 2 246.376 1.293 20 30 BDEDLO CC[N@H+](CCC(C)(C)C#N)CCS(C)(=O)=O ZINC000120457205 589415813 /nfs/dbraw/zinc/41/58/13/589415813.db2.gz LYQOIMSDWBJBOL-UHFFFAOYSA-N 1 2 246.376 1.293 20 30 BDEDLO C#CCCCNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865565615 589447023 /nfs/dbraw/zinc/44/70/23/589447023.db2.gz OUJRMAIOWQVTGV-UHFFFAOYSA-N 1 2 245.330 1.937 20 30 BDEDLO C#CCCCNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865565615 589447024 /nfs/dbraw/zinc/44/70/24/589447024.db2.gz OUJRMAIOWQVTGV-UHFFFAOYSA-N 1 2 245.330 1.937 20 30 BDEDLO Cc1cc(C(F)(F)F)c[nH+]c1NCC#CCO ZINC000865761126 589461240 /nfs/dbraw/zinc/46/12/40/589461240.db2.gz UKEKDOMRCRJKTN-UHFFFAOYSA-N 1 2 244.216 1.816 20 30 BDEDLO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc(C#N)c1O ZINC000866242197 589482378 /nfs/dbraw/zinc/48/23/78/589482378.db2.gz IVJQOQJWXFDHPP-GHMZBOCLSA-N 1 2 246.310 1.951 20 30 BDEDLO C[C@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866267575 589483737 /nfs/dbraw/zinc/48/37/37/589483737.db2.gz MAIHHHLFALMITO-UWVGGRQHSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@@H]([NH2+]CCN1CCC1)c1cccc(C#N)c1O ZINC000866309497 589485812 /nfs/dbraw/zinc/48/58/12/589485812.db2.gz PFAPKJOQQYWCAO-LLVKDONJSA-N 1 2 245.326 1.620 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868535320 589563126 /nfs/dbraw/zinc/56/31/26/589563126.db2.gz BCRIMRVIRNYHOS-JTQLQIEISA-N 1 2 234.303 1.353 20 30 BDEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000868575597 589565167 /nfs/dbraw/zinc/56/51/67/589565167.db2.gz FNYWHEYITVTUMT-SNVBAGLBSA-N 1 2 234.303 1.209 20 30 BDEDLO N#Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c32)co1 ZINC000868619193 589568349 /nfs/dbraw/zinc/56/83/49/589568349.db2.gz AYVNQLQRTBFJDS-JTQLQIEISA-N 1 2 242.238 1.223 20 30 BDEDLO C=C(C)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000122990370 589647682 /nfs/dbraw/zinc/64/76/82/589647682.db2.gz GEJSBTDJZFNFDW-UHFFFAOYSA-N 1 2 242.282 1.573 20 30 BDEDLO CSCCON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872371722 589924056 /nfs/dbraw/zinc/92/40/56/589924056.db2.gz QZUIFEGIGTZEOC-UHFFFAOYSA-N 1 2 236.300 1.623 20 30 BDEDLO COc1c(C)c[nH+]c(CN=Nc2nc[nH]n2)c1C ZINC000872373364 589924194 /nfs/dbraw/zinc/92/41/94/589924194.db2.gz CGAIZDLAFRECJX-UHFFFAOYSA-N 1 2 246.274 1.271 20 30 BDEDLO CC#CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891859 590153660 /nfs/dbraw/zinc/15/36/60/590153660.db2.gz WCPWNOCEXKJQOU-ZDUSSCGKSA-N 1 2 246.285 1.322 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cnc2c(cnn2C)c1 ZINC000876564088 590216399 /nfs/dbraw/zinc/21/63/99/590216399.db2.gz PCFRJBLQQIRYDH-UHFFFAOYSA-N 1 2 243.314 1.704 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cnc2c(cnn2C)c1 ZINC000876564088 590216400 /nfs/dbraw/zinc/21/64/00/590216400.db2.gz PCFRJBLQQIRYDH-UHFFFAOYSA-N 1 2 243.314 1.704 20 30 BDEDLO N#C[C@@H]1C[N@H+](CCC[C@@H]2CCO2)CCN1C1CC1 ZINC000876735082 590234548 /nfs/dbraw/zinc/23/45/48/590234548.db2.gz YVTOKDPCYUHWDY-ZIAGYGMSSA-N 1 2 249.358 1.228 20 30 BDEDLO N#C[C@@H]1C[N@@H+](CCC[C@@H]2CCO2)CCN1C1CC1 ZINC000876735082 590234549 /nfs/dbraw/zinc/23/45/49/590234549.db2.gz YVTOKDPCYUHWDY-ZIAGYGMSSA-N 1 2 249.358 1.228 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c2c(nn1C)CCCC2 ZINC000876745818 590236112 /nfs/dbraw/zinc/23/61/12/590236112.db2.gz PIMGUMBUHMNMNS-UHFFFAOYSA-N 1 2 241.338 1.367 20 30 BDEDLO C=CC[C@@H]([NH2+]Cc1ncnn1C)c1ccncc1 ZINC000877046989 590274369 /nfs/dbraw/zinc/27/43/69/590274369.db2.gz WDGVHYJTPJHGGZ-GFCCVEGCSA-N 1 2 243.314 1.617 20 30 BDEDLO C=CC[N@@H+](Cc1cn(CCC)nn1)C1CC1 ZINC000877328160 590318056 /nfs/dbraw/zinc/31/80/56/590318056.db2.gz BWDLBBXLEMQVRW-UHFFFAOYSA-N 1 2 220.320 1.839 20 30 BDEDLO C=CC[N@H+](Cc1cn(CCC)nn1)C1CC1 ZINC000877328160 590318057 /nfs/dbraw/zinc/31/80/57/590318057.db2.gz BWDLBBXLEMQVRW-UHFFFAOYSA-N 1 2 220.320 1.839 20 30 BDEDLO C#CCCCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000877350877 590319222 /nfs/dbraw/zinc/31/92/22/590319222.db2.gz PFUDZRJACKDDEQ-UHFFFAOYSA-N 1 2 248.330 1.383 20 30 BDEDLO C#CCCCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000877350877 590319224 /nfs/dbraw/zinc/31/92/24/590319224.db2.gz PFUDZRJACKDDEQ-UHFFFAOYSA-N 1 2 248.330 1.383 20 30 BDEDLO C#CCCCCCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000877350877 590319227 /nfs/dbraw/zinc/31/92/27/590319227.db2.gz PFUDZRJACKDDEQ-UHFFFAOYSA-N 1 2 248.330 1.383 20 30 BDEDLO C#CCCCCCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000877350877 590319230 /nfs/dbraw/zinc/31/92/30/590319230.db2.gz PFUDZRJACKDDEQ-UHFFFAOYSA-N 1 2 248.330 1.383 20 30 BDEDLO C#CCOc1ccccc1C[NH+]1CC(C)(O)C1 ZINC000877581191 590366056 /nfs/dbraw/zinc/36/60/56/590366056.db2.gz PVXJYOULEMHJFO-UHFFFAOYSA-N 1 2 231.295 1.265 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)OC ZINC000877584155 590366264 /nfs/dbraw/zinc/36/62/64/590366264.db2.gz XQNXVMIFHCVKPV-USZNOCQGSA-N 1 2 221.300 1.187 20 30 BDEDLO C#CC[C@H]([NH2+]CCc1ccc(C)cc1)C(=O)OC ZINC000877582934 590366970 /nfs/dbraw/zinc/36/69/70/590366970.db2.gz IMVHDUCNQYDRBM-AWEZNQCLSA-N 1 2 245.322 1.692 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1c(C)cccc1O)C(=O)OC ZINC000877583365 590367267 /nfs/dbraw/zinc/36/72/67/590367267.db2.gz PMKFFXJGTLVKDC-GFCCVEGCSA-N 1 2 247.294 1.355 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1CCCCC1 ZINC000877709177 590398929 /nfs/dbraw/zinc/39/89/29/590398929.db2.gz MHWHQKZREWSWRE-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1CCCCC1 ZINC000877709177 590398931 /nfs/dbraw/zinc/39/89/31/590398931.db2.gz MHWHQKZREWSWRE-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccoc1 ZINC000877988216 590466745 /nfs/dbraw/zinc/46/67/45/590466745.db2.gz CSOPYQDWYNVGBG-NSHDSACASA-N 1 2 223.272 1.829 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccoc1 ZINC000877988216 590466746 /nfs/dbraw/zinc/46/67/46/590466746.db2.gz CSOPYQDWYNVGBG-NSHDSACASA-N 1 2 223.272 1.829 20 30 BDEDLO C=CC[N@@H+](CC[C@@H](O)C(C)C)CC(=O)OCC ZINC000878001370 590469827 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590857766 /nfs/dbraw/zinc/85/77/66/590857766.db2.gz FVZUXWZSOKCZNX-AWEZNQCLSA-N 1 2 231.295 1.702 20 30 BDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764506 590866112 /nfs/dbraw/zinc/86/61/12/590866112.db2.gz YHEUPBDMZRMGON-VIFPVBQESA-N 1 2 236.237 1.315 20 30 BDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764506 590866114 /nfs/dbraw/zinc/86/61/14/590866114.db2.gz YHEUPBDMZRMGON-VIFPVBQESA-N 1 2 236.237 1.315 20 30 BDEDLO C=CC(C)(C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000880034484 590912440 /nfs/dbraw/zinc/91/24/40/590912440.db2.gz WRXRRQXTJXHODP-UHFFFAOYSA-N 1 2 233.315 1.897 20 30 BDEDLO C=CC(C)(C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000880034484 590912441 /nfs/dbraw/zinc/91/24/41/590912441.db2.gz WRXRRQXTJXHODP-UHFFFAOYSA-N 1 2 233.315 1.897 20 30 BDEDLO C#CC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880448159 591047422 /nfs/dbraw/zinc/04/74/22/591047422.db2.gz NITNXEVFQJMBJE-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO C#CC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880448159 591047427 /nfs/dbraw/zinc/04/74/27/591047427.db2.gz NITNXEVFQJMBJE-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO C(#Cc1ccccc1)C[N@@H+]1CCc2ncncc2C1 ZINC000880599345 591108256 /nfs/dbraw/zinc/10/82/56/591108256.db2.gz KCCVITCCRFQMGT-UHFFFAOYSA-N 1 2 249.317 1.886 20 30 BDEDLO C(#Cc1ccccc1)C[N@H+]1CCc2ncncc2C1 ZINC000880599345 591108257 /nfs/dbraw/zinc/10/82/57/591108257.db2.gz KCCVITCCRFQMGT-UHFFFAOYSA-N 1 2 249.317 1.886 20 30 BDEDLO C#CC1(NC(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000883068370 591533708 /nfs/dbraw/zinc/53/37/08/591533708.db2.gz RFSTXYHJIZYXRA-UHFFFAOYSA-N 1 2 246.314 1.128 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C)[C@H](C)CC#N ZINC000214563292 591632963 /nfs/dbraw/zinc/63/29/63/591632963.db2.gz AFALSVZUBYVDAK-ABRRARGCSA-N 1 2 210.277 1.340 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C)[C@H](C)CC#N ZINC000214563292 591632965 /nfs/dbraw/zinc/63/29/65/591632965.db2.gz AFALSVZUBYVDAK-ABRRARGCSA-N 1 2 210.277 1.340 20 30 BDEDLO CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000132082722 591686912 /nfs/dbraw/zinc/68/69/12/591686912.db2.gz GDVNJGUJWUXZTK-UHFFFAOYSA-N 1 2 218.178 1.972 20 30 BDEDLO Cc1n[nH]c(C=NNCC[NH+]2CCCCC2)c1C ZINC000884418686 591928956 /nfs/dbraw/zinc/92/89/56/591928956.db2.gz RSCWWQHRSSNKGY-UHFFFAOYSA-N 1 2 249.362 1.436 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884544082 591973742 /nfs/dbraw/zinc/97/37/42/591973742.db2.gz WHLQWKFODCSMFN-SNVBAGLBSA-N 1 2 219.288 1.225 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884544081 591973756 /nfs/dbraw/zinc/97/37/56/591973756.db2.gz WHLQWKFODCSMFN-JTQLQIEISA-N 1 2 219.288 1.225 20 30 BDEDLO Cc1cn[nH]c1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000886266998 592190538 /nfs/dbraw/zinc/19/05/38/592190538.db2.gz CQIDJPHPSJYIHK-VXGBXAGGSA-N 1 2 247.346 1.136 20 30 BDEDLO Cc1c[nH]nc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000886266998 592190540 /nfs/dbraw/zinc/19/05/40/592190540.db2.gz CQIDJPHPSJYIHK-VXGBXAGGSA-N 1 2 247.346 1.136 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886269411 592191649 /nfs/dbraw/zinc/19/16/49/592191649.db2.gz UQNPZINPWKVUDB-MRVPVSSYSA-N 1 2 220.232 1.382 20 30 BDEDLO CC[N@H+](C[C@@H]1C[C@]12CCOC2)[C@H](C)C#N ZINC000886284370 592196280 /nfs/dbraw/zinc/19/62/80/592196280.db2.gz VESMGSJFOQBWHF-WOPDTQHZSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@H](C)C#N ZINC000886284370 592196281 /nfs/dbraw/zinc/19/62/81/592196281.db2.gz VESMGSJFOQBWHF-WOPDTQHZSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](C)C#N ZINC000886283673 592200411 /nfs/dbraw/zinc/20/04/11/592200411.db2.gz DKTVBLXRFQVGKZ-RYUDHWBXSA-N 1 2 235.331 1.665 20 30 BDEDLO CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](C)C#N ZINC000886283673 592200413 /nfs/dbraw/zinc/20/04/13/592200413.db2.gz DKTVBLXRFQVGKZ-RYUDHWBXSA-N 1 2 235.331 1.665 20 30 BDEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000886355839 592216396 /nfs/dbraw/zinc/21/63/96/592216396.db2.gz ONJDVXITEKBFNC-SNVBAGLBSA-N 1 2 205.261 1.223 20 30 BDEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000886355839 592216399 /nfs/dbraw/zinc/21/63/99/592216399.db2.gz ONJDVXITEKBFNC-SNVBAGLBSA-N 1 2 205.261 1.223 20 30 BDEDLO C#CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000886656026 592292063 /nfs/dbraw/zinc/29/20/63/592292063.db2.gz OOBSGNSKVPOFAC-UHFFFAOYSA-N 1 2 245.326 1.795 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677115 592300594 /nfs/dbraw/zinc/30/05/94/592300594.db2.gz RJQAQUSNPUQGID-LLVKDONJSA-N 1 2 216.288 1.570 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677115 592300602 /nfs/dbraw/zinc/30/06/02/592300602.db2.gz RJQAQUSNPUQGID-LLVKDONJSA-N 1 2 216.288 1.570 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886850366 592366116 /nfs/dbraw/zinc/36/61/16/592366116.db2.gz BSPPWTCWHCHPRB-QMMMGPOBSA-N 1 2 218.684 1.169 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886850366 592366117 /nfs/dbraw/zinc/36/61/17/592366117.db2.gz BSPPWTCWHCHPRB-QMMMGPOBSA-N 1 2 218.684 1.169 20 30 BDEDLO Cn1c[nH+]c(CNc2cccc(C#N)c2)c1 ZINC000139184530 592378738 /nfs/dbraw/zinc/37/87/38/592378738.db2.gz JMCJFXYJNIYVKJ-UHFFFAOYSA-N 1 2 212.256 1.904 20 30 BDEDLO C=C(CC)C[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886946841 592399840 /nfs/dbraw/zinc/39/98/40/592399840.db2.gz SCWNOUPSMBPPNM-NWDGAFQWSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000222925524 592511208 /nfs/dbraw/zinc/51/12/08/592511208.db2.gz OLTFWJIOWFISOY-UHFFFAOYSA-N 1 2 205.261 1.220 20 30 BDEDLO C#CCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000222925524 592511210 /nfs/dbraw/zinc/51/12/10/592511210.db2.gz OLTFWJIOWFISOY-UHFFFAOYSA-N 1 2 205.261 1.220 20 30 BDEDLO C=C[C@H]([NH2+][C@H](C)CCSC)C(=O)OC ZINC000301051141 592527883 /nfs/dbraw/zinc/52/78/83/592527883.db2.gz TZNABEIEQDUSLB-BDAKNGLRSA-N 1 2 217.334 1.445 20 30 BDEDLO C=C1CCC(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000887718172 592545180 /nfs/dbraw/zinc/54/51/80/592545180.db2.gz TYEUBGXJJVOOTH-UHFFFAOYSA-N 1 2 233.315 1.746 20 30 BDEDLO C=CCC1(C(=O)NCc2cn(C)c[nH+]2)CCC1 ZINC000890107324 592681428 /nfs/dbraw/zinc/68/14/28/592681428.db2.gz KHXDIKYESXXXEA-UHFFFAOYSA-N 1 2 233.315 1.783 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(CCF)c1 ZINC000893542948 634610298 /nfs/dbraw/zinc/61/02/98/634610298.db2.gz OPZNZKIPMFXHPU-VIFPVBQESA-N 1 2 210.256 1.102 20 30 BDEDLO C[C@@H](C#N)CN(C)c1cc[nH+]cc1CO ZINC000891822038 631505290 /nfs/dbraw/zinc/50/52/90/631505290.db2.gz PDTLJIQAGISPIV-VIFPVBQESA-N 1 2 205.261 1.170 20 30 BDEDLO N#Cc1c(C[N@H+]2CC[C@@H]2CO)cn2ccccc12 ZINC000934026977 631608535 /nfs/dbraw/zinc/60/85/35/631608535.db2.gz IMPUDUJZWLAZMM-GFCCVEGCSA-N 1 2 241.294 1.378 20 30 BDEDLO N#Cc1c(C[N@@H+]2CC[C@@H]2CO)cn2ccccc12 ZINC000934026977 631608539 /nfs/dbraw/zinc/60/85/39/631608539.db2.gz IMPUDUJZWLAZMM-GFCCVEGCSA-N 1 2 241.294 1.378 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccco1 ZINC000934510053 631891072 /nfs/dbraw/zinc/89/10/72/631891072.db2.gz GKCAGUNYUMWZDC-LBPRGKRZSA-N 1 2 246.310 1.384 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000934510053 631891075 /nfs/dbraw/zinc/89/10/75/631891075.db2.gz GKCAGUNYUMWZDC-LBPRGKRZSA-N 1 2 246.310 1.384 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000309247993 631982884 /nfs/dbraw/zinc/98/28/84/631982884.db2.gz CYRUTIWBCKWFHD-ZETCQYMHSA-N 1 2 241.726 1.676 20 30 BDEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000309247993 631982892 /nfs/dbraw/zinc/98/28/92/631982892.db2.gz CYRUTIWBCKWFHD-ZETCQYMHSA-N 1 2 241.726 1.676 20 30 BDEDLO COc1ccc(C[NH2+]CC2(C#N)CC2)nc1 ZINC000894203735 635749051 /nfs/dbraw/zinc/74/90/51/635749051.db2.gz HSBQQPRNTBSAHB-UHFFFAOYSA-N 1 2 217.272 1.484 20 30 BDEDLO CC[NH+](CC)CC(=O)Nc1cc(C#N)ccc1O ZINC000176817205 632520775 /nfs/dbraw/zinc/52/07/75/632520775.db2.gz PHHJHQBDNWEIJV-UHFFFAOYSA-N 1 2 247.298 1.544 20 30 BDEDLO Nc1ccc(C=[NH+]NCC(F)(F)F)cn1 ZINC000309001512 632613954 /nfs/dbraw/zinc/61/39/54/632613954.db2.gz OFGKHMLYCLTMHP-UHFFFAOYSA-N 1 2 218.182 1.150 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](C#N)C1 ZINC000928219561 635835751 /nfs/dbraw/zinc/83/57/51/635835751.db2.gz ZAVSNATVBZLHRT-NSHDSACASA-N 1 2 246.314 1.115 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@H]1CCCO1 ZINC000309502861 633182321 /nfs/dbraw/zinc/18/23/21/633182321.db2.gz BIEJHHFITVLMHX-GARJFASQSA-N 1 2 219.288 1.241 20 30 BDEDLO O=C1[C@@H]([NH2+]Cc2ccc(Cl)o2)CCCN1O ZINC000895165684 636111885 /nfs/dbraw/zinc/11/18/85/636111885.db2.gz MCMLIUBZCDXODS-QMMMGPOBSA-N 1 2 244.678 1.403 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ncccn1 ZINC000930600591 633924693 /nfs/dbraw/zinc/92/46/93/633924693.db2.gz LGYMTVAEVIYQEZ-CMPLNLGQSA-N 1 2 203.289 1.929 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nccs1)[C@H]1CCCO1 ZINC000309561119 633954092 /nfs/dbraw/zinc/95/40/92/633954092.db2.gz LBXYKMYLDSJJCO-OUAUKWLOSA-N 1 2 236.340 1.975 20 30 BDEDLO N#CC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189312270 634177401 /nfs/dbraw/zinc/17/74/01/634177401.db2.gz UEPBGLLPYPIZFJ-UHFFFAOYSA-N 1 2 219.263 1.956 20 30 BDEDLO CN(C)c1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000258745682 635194319 /nfs/dbraw/zinc/19/43/19/635194319.db2.gz OAPKQDFUKCBTQJ-UHFFFAOYSA-N 1 2 245.330 1.673 20 30 BDEDLO CN(C)c1cc(N2CCC(CC#N)CC2)[nH+]cn1 ZINC000258745682 635194321 /nfs/dbraw/zinc/19/43/21/635194321.db2.gz OAPKQDFUKCBTQJ-UHFFFAOYSA-N 1 2 245.330 1.673 20 30 BDEDLO Cn1nc2c(c1C[NH2+]CC1(C#N)CC1)CCC2 ZINC000894203766 635748769 /nfs/dbraw/zinc/74/87/69/635748769.db2.gz HWKQDUOCRLKWJV-UHFFFAOYSA-N 1 2 230.315 1.302 20 30 BDEDLO C#CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000928624592 636214121 /nfs/dbraw/zinc/21/41/21/636214121.db2.gz DSXJDZOMVFGKRW-GFCCVEGCSA-N 1 2 245.326 1.316 20 30 BDEDLO C[C@@H]1/C(=C\c2c[nH+]cn2C)C(=O)c2nccn21 ZINC000901566065 637261965 /nfs/dbraw/zinc/26/19/65/637261965.db2.gz OOYATOBVGKMGIO-LLIKBPFYSA-N 1 2 228.255 1.458 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cnn(C)n1 ZINC000905078383 637580960 /nfs/dbraw/zinc/58/09/60/637580960.db2.gz QIVLFWWEWLKTJI-SNAWJCMRSA-N 1 2 245.286 1.489 20 30 BDEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ncnn2[C@@H]1C ZINC000905085747 637585753 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/nfs/dbraw/zinc/33/32/30/645333230.db2.gz GZDBLLKXXIBHFZ-ONGXEEELSA-N 1 2 245.269 1.835 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000847017291 645418210 /nfs/dbraw/zinc/41/82/10/645418210.db2.gz BHPGLYQDIMADCN-NSHDSACASA-N 1 2 232.331 1.773 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000847017291 645418212 /nfs/dbraw/zinc/41/82/12/645418212.db2.gz BHPGLYQDIMADCN-NSHDSACASA-N 1 2 232.331 1.773 20 30 BDEDLO N#C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000928218368 645713849 /nfs/dbraw/zinc/71/38/49/645713849.db2.gz VAFFKRUMEJLZRG-JTQLQIEISA-N 1 2 232.287 1.104 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878705318 645823381 /nfs/dbraw/zinc/82/33/81/645823381.db2.gz UQFLAVVBRWTUAX-STQMWFEESA-N 1 2 237.343 1.668 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878705318 645823385 /nfs/dbraw/zinc/82/33/85/645823385.db2.gz UQFLAVVBRWTUAX-STQMWFEESA-N 1 2 237.343 1.668 20 30 BDEDLO C#CCN(C(=O)CNc1cccc[nH+]1)C(C)C ZINC000928622941 645851120 /nfs/dbraw/zinc/85/11/20/645851120.db2.gz FTRHCVJUZZTDKS-UHFFFAOYSA-N 1 2 231.299 1.364 20 30 BDEDLO CC[C@H]([NH2+][C@H](C)CO)c1cccc(C#N)c1O ZINC000924755191 646102827 /nfs/dbraw/zinc/10/28/27/646102827.db2.gz XKOGRJHKUKNSER-SKDRFNHKSA-N 1 2 234.299 1.685 20 30 BDEDLO C[N@@H+](Cc1nnc[nH]1)CC1CCC(C#N)CC1 ZINC000929811362 646329338 /nfs/dbraw/zinc/32/93/38/646329338.db2.gz OKGHIPOUEBMCIE-UHFFFAOYSA-N 1 2 233.319 1.566 20 30 BDEDLO C[N@H+](Cc1nnc[nH]1)CC1CCC(C#N)CC1 ZINC000929811362 646329341 /nfs/dbraw/zinc/32/93/41/646329341.db2.gz OKGHIPOUEBMCIE-UHFFFAOYSA-N 1 2 233.319 1.566 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)[C@H]1CCCO1 ZINC000926208873 646595028 /nfs/dbraw/zinc/59/50/28/646595028.db2.gz BIEFKDNEKIWVSE-NNYUYHANSA-N 1 2 246.314 1.054 20 30 BDEDLO C#CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)C(=O)OC ZINC000894854492 711772921 /nfs/dbraw/zinc/77/29/21/711772921.db2.gz IMOPKVHGWHTARW-WZRBSPASSA-N 1 2 235.327 1.720 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(CC)s1 ZINC000702700702 712060043 /nfs/dbraw/zinc/06/00/43/712060043.db2.gz ANVAAHWYILYILX-NSHDSACASA-N 1 2 223.345 1.992 20 30 BDEDLO C#CC1(O)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000606290982 712352545 /nfs/dbraw/zinc/35/25/45/712352545.db2.gz JPJBVAXZVJYPPP-VQHVLOKHSA-N 1 2 234.126 1.766 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C ZINC001038026916 712899437 /nfs/dbraw/zinc/89/94/37/712899437.db2.gz CWGAQTVBIPLTIB-ZDUSSCGKSA-N 1 2 242.322 1.432 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C ZINC001038026916 712899438 /nfs/dbraw/zinc/89/94/38/712899438.db2.gz CWGAQTVBIPLTIB-ZDUSSCGKSA-N 1 2 242.322 1.432 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1C ZINC001038230676 710680358 /nfs/dbraw/zinc/68/03/58/710680358.db2.gz FXNJNZHELJWNRW-NSHDSACASA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1C ZINC001038230676 710680362 /nfs/dbraw/zinc/68/03/62/710680362.db2.gz FXNJNZHELJWNRW-NSHDSACASA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C 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C#CCC[NH+]1CC(N(C)C(=O)c2ccco2)C1 ZINC001042419536 710783374 /nfs/dbraw/zinc/78/33/74/710783374.db2.gz OIYUJRPJCYZVQB-UHFFFAOYSA-N 1 2 232.283 1.059 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC=CC2)C1 ZINC001042562864 710792708 /nfs/dbraw/zinc/79/27/08/710792708.db2.gz VCWZYROPFCHGJE-UHFFFAOYSA-N 1 2 220.316 1.281 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC001042698605 710798330 /nfs/dbraw/zinc/79/83/30/710798330.db2.gz DXGCAZDTGRJHRM-UHFFFAOYSA-N 1 2 248.330 1.050 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001043968255 710816690 /nfs/dbraw/zinc/81/66/90/710816690.db2.gz JPAGPYVOFRMJOW-LBPRGKRZSA-N 1 2 234.343 1.505 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1CC ZINC001038766682 710705091 /nfs/dbraw/zinc/70/50/91/710705091.db2.gz HIVCZIDWEBSTIV-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1CC ZINC001038766682 710705092 /nfs/dbraw/zinc/70/50/92/710705092.db2.gz HIVCZIDWEBSTIV-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO C=C(Br)C[N@@H+](CCCO)C1CC1 ZINC000308072543 711507799 /nfs/dbraw/zinc/50/77/99/711507799.db2.gz CKQSTQJCPVBGPO-UHFFFAOYSA-N 1 2 234.137 1.742 20 30 BDEDLO C=C(Br)C[N@H+](CCCO)C1CC1 ZINC000308072543 711507803 /nfs/dbraw/zinc/50/78/03/711507803.db2.gz CKQSTQJCPVBGPO-UHFFFAOYSA-N 1 2 234.137 1.742 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721501797 711571477 /nfs/dbraw/zinc/57/14/77/711571477.db2.gz KSRRWHQFHJTDOF-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721501797 711571478 /nfs/dbraw/zinc/57/14/78/711571478.db2.gz KSRRWHQFHJTDOF-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934565272 711594149 /nfs/dbraw/zinc/59/41/49/711594149.db2.gz LAQYLDFPUMKBFE-QWHCGFSZSA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934565272 711594150 /nfs/dbraw/zinc/59/41/50/711594150.db2.gz LAQYLDFPUMKBFE-QWHCGFSZSA-N 1 2 234.274 1.463 20 30 BDEDLO 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JZQKRSYIBUNSAI-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001032546959 711924764 /nfs/dbraw/zinc/92/47/64/711924764.db2.gz JZQKRSYIBUNSAI-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)CC ZINC001032564825 711925995 /nfs/dbraw/zinc/92/59/95/711925995.db2.gz KLIIGAVBYDBYPI-SDDRHHMPSA-N 1 2 238.306 1.043 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)CC ZINC001032564825 711925996 /nfs/dbraw/zinc/92/59/96/711925996.db2.gz KLIIGAVBYDBYPI-SDDRHHMPSA-N 1 2 238.306 1.043 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032660971 711931966 /nfs/dbraw/zinc/93/19/66/711931966.db2.gz RLXADBYYMYVPGD-AGIUHOORSA-N 1 2 234.343 1.197 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032660971 711931967 /nfs/dbraw/zinc/93/19/67/711931967.db2.gz RLXADBYYMYVPGD-AGIUHOORSA-N 1 2 234.343 1.197 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001079433243 712348750 /nfs/dbraw/zinc/34/87/50/712348750.db2.gz PZFUOSCBUSFSJQ-MWLCHTKSSA-N 1 2 244.766 1.831 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001079433243 712348751 /nfs/dbraw/zinc/34/87/51/712348751.db2.gz PZFUOSCBUSFSJQ-MWLCHTKSSA-N 1 2 244.766 1.831 20 30 BDEDLO C#CC[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000606277844 712350506 /nfs/dbraw/zinc/35/05/06/712350506.db2.gz TXLIOCRENXHTPO-WPRPVWTQSA-N 1 2 203.232 1.364 20 30 BDEDLO C#CC[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000606277844 712350507 /nfs/dbraw/zinc/35/05/07/712350507.db2.gz TXLIOCRENXHTPO-WPRPVWTQSA-N 1 2 203.232 1.364 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)cn1 ZINC000715818223 712533448 /nfs/dbraw/zinc/53/34/48/712533448.db2.gz NUUVPBBBQZJTMZ-MRVPVSSYSA-N 1 2 209.680 1.984 20 30 BDEDLO C#CC[C@H](COC)[NH2+]Cc1ncc(C)o1 ZINC000716399684 712558529 /nfs/dbraw/zinc/55/85/29/712558529.db2.gz UGUIVNCXGYAEPW-SNVBAGLBSA-N 1 2 208.261 1.111 20 30 BDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2[nH]cc[nH+]2)C1 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969187789 /nfs/dbraw/zinc/18/77/89/969187789.db2.gz XLSUOVHQUPXIQU-ZDUSSCGKSA-N 1 2 235.331 1.233 20 30 BDEDLO COCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209218105 969403705 /nfs/dbraw/zinc/40/37/05/969403705.db2.gz QTAYTZAIIDWMBO-NSHDSACASA-N 1 2 241.356 1.687 20 30 BDEDLO COCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209218105 969403707 /nfs/dbraw/zinc/40/37/07/969403707.db2.gz QTAYTZAIIDWMBO-NSHDSACASA-N 1 2 241.356 1.687 20 30 BDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)CC#N)C1 ZINC001255179425 969997788 /nfs/dbraw/zinc/99/77/88/969997788.db2.gz PARJUKUSRVIOLV-VXGBXAGGSA-N 1 2 237.347 1.669 20 30 BDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](CC)CC#N)C1 ZINC001255179425 969997795 /nfs/dbraw/zinc/99/77/95/969997795.db2.gz PARJUKUSRVIOLV-VXGBXAGGSA-N 1 2 237.347 1.669 20 30 BDEDLO N#CCC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001173330860 975280800 /nfs/dbraw/zinc/28/08/00/975280800.db2.gz GJABCJDDEGYXFQ-BPCQOVAHSA-N 1 2 232.331 1.256 20 30 BDEDLO CC1(C#N)CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001173593651 975452779 /nfs/dbraw/zinc/45/27/79/975452779.db2.gz LQGPGGLQQBMIGM-CPCZMJQVSA-N 1 2 232.331 1.256 20 30 BDEDLO C[C@H]1COCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046621 978432898 /nfs/dbraw/zinc/43/28/98/978432898.db2.gz ZYYCBINVWASTCA-SNVBAGLBSA-N 1 2 219.288 1.355 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)o2)CC1 ZINC001233316950 978546857 /nfs/dbraw/zinc/54/68/57/978546857.db2.gz MYGDFAHVGXUQGO-UHFFFAOYSA-N 1 2 238.718 1.684 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1O)C1COC1 ZINC001233386124 978587393 /nfs/dbraw/zinc/58/73/93/978587393.db2.gz HCBXBLZXOBLECX-UHFFFAOYSA-N 1 2 218.256 1.094 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1O)C1COC1 ZINC001233386124 978587398 /nfs/dbraw/zinc/58/73/98/978587398.db2.gz HCBXBLZXOBLECX-UHFFFAOYSA-N 1 2 218.256 1.094 20 30 BDEDLO CCn1c[nH+]cc1CN1C[C@@H](F)C[C@H]1C#N ZINC001237593061 979949434 /nfs/dbraw/zinc/94/94/34/979949434.db2.gz GBDMGVAXFSFHHC-UWVGGRQHSA-N 1 2 222.267 1.339 20 30 BDEDLO CCc1cn(Cc2cc(C#N)ccn2)c[nH+]1 ZINC001190104699 980847851 /nfs/dbraw/zinc/84/78/51/980847851.db2.gz UXBLFRSVUDQHFJ-UHFFFAOYSA-N 1 2 212.256 1.760 20 30 BDEDLO C=CC[NH+]1CCN(C(=S)NC(C)(C)C)CC1 ZINC001200903380 983120907 /nfs/dbraw/zinc/12/09/07/983120907.db2.gz PCCDLVZZNXQHIL-UHFFFAOYSA-N 1 2 241.404 1.463 20 30 BDEDLO Cc1ccc(C#N)c(OC2C[NH+](C(C)C)C2)n1 ZINC001225861305 974706649 /nfs/dbraw/zinc/70/66/49/974706649.db2.gz XWPIRWZHHASFFZ-UHFFFAOYSA-N 1 2 231.299 1.733 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cccnc1N(C)C ZINC001327384400 972568908 /nfs/dbraw/zinc/56/89/08/972568908.db2.gz WNNXSTVNQLOINU-GFCCVEGCSA-N 1 2 232.331 1.929 20 30 BDEDLO CCOC(=O)CC1CCC([N@H+](C)CC#N)CC1 ZINC001258035285 971562646 /nfs/dbraw/zinc/56/26/46/971562646.db2.gz JNTKKANIIGFREM-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO CCOC(=O)CC1CCC([N@@H+](C)CC#N)CC1 ZINC001258035285 971562650 /nfs/dbraw/zinc/56/26/50/971562650.db2.gz JNTKKANIIGFREM-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO CCN(C)c1cc(NCCCS)[nH+]cn1 ZINC001171000761 972224641 /nfs/dbraw/zinc/22/46/41/972224641.db2.gz GKXYARYLNPLKMY-UHFFFAOYSA-N 1 2 226.349 1.665 20 30 BDEDLO CCN(C)c1cc(NCCCS)nc[nH+]1 ZINC001171000761 972224645 /nfs/dbraw/zinc/22/46/45/972224645.db2.gz GKXYARYLNPLKMY-UHFFFAOYSA-N 1 2 226.349 1.665 20 30 BDEDLO CC[C@H](CCC(=O)OC)C[N@H+](C)[C@H](C)C#N ZINC001208794221 957169647 /nfs/dbraw/zinc/16/96/47/957169647.db2.gz YGPICGDASVVOTO-GHMZBOCLSA-N 1 2 226.320 1.810 20 30 BDEDLO CC[C@H](CCC(=O)OC)C[N@@H+](C)[C@H](C)C#N ZINC001208794221 957169656 /nfs/dbraw/zinc/16/96/56/957169656.db2.gz YGPICGDASVVOTO-GHMZBOCLSA-N 1 2 226.320 1.810 20 30 BDEDLO Cc1[nH]ncc1C[NH+]1CCC(S)CC1 ZINC001209557715 957504902 /nfs/dbraw/zinc/50/49/02/957504902.db2.gz YPEPTKPMDKNCLB-UHFFFAOYSA-N 1 2 211.334 1.612 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](CC=C)CC(=O)OCC ZINC001167252251 957591700 /nfs/dbraw/zinc/59/17/00/957591700.db2.gz YFPIJEWMJLADHM-GFCCVEGCSA-N 1 2 241.331 1.365 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](CC=C)CC(=O)OCC ZINC001167252251 957591705 /nfs/dbraw/zinc/59/17/05/957591705.db2.gz YFPIJEWMJLADHM-GFCCVEGCSA-N 1 2 241.331 1.365 20 30 BDEDLO N#CC1CCC(OCC[NH+]2CCOCC2)CC1 ZINC001210208071 957672211 /nfs/dbraw/zinc/67/22/11/957672211.db2.gz RCBJAKMZSHVSBR-UHFFFAOYSA-N 1 2 238.331 1.418 20 30 BDEDLO C#C[C@@H](CC(C)C)OCCn1cc[nH+]c1 ZINC001222139775 972385655 /nfs/dbraw/zinc/38/56/55/972385655.db2.gz WXRHEXBGMKCRRB-LBPRGKRZSA-N 1 2 206.289 1.948 20 30 BDEDLO Cc1ccc(C#N)nc1NCc1cc[nH+]c(N)c1 ZINC001167613858 959063752 /nfs/dbraw/zinc/06/37/52/959063752.db2.gz MYNZMPANPHHIKD-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO Cc1c(C#N)ccnc1NCc1cc[nH+]c(N)c1 ZINC001167614139 959065710 /nfs/dbraw/zinc/06/57/10/959065710.db2.gz OSDNJEODPGKSPD-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932164157 959405794 /nfs/dbraw/zinc/40/57/94/959405794.db2.gz YJYNMWBIYOOSMB-VXGBXAGGSA-N 1 2 240.347 1.398 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932164157 959405808 /nfs/dbraw/zinc/40/58/08/959405808.db2.gz YJYNMWBIYOOSMB-VXGBXAGGSA-N 1 2 240.347 1.398 20 30 BDEDLO COc1nccc(C[NH+]2CCC(C#N)CC2)n1 ZINC001140695129 960506302 /nfs/dbraw/zinc/50/63/02/960506302.db2.gz UUASNSHIKFWKRN-UHFFFAOYSA-N 1 2 232.287 1.221 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(C)cc2F)CC1 ZINC001141196937 960951084 /nfs/dbraw/zinc/95/10/84/960951084.db2.gz XZDIBSHVUUXXIZ-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(C)cc2F)CC1 ZINC001141196937 960951128 /nfs/dbraw/zinc/95/11/28/960951128.db2.gz XZDIBSHVUUXXIZ-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO N#CC1CN(Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001141238902 961014855 /nfs/dbraw/zinc/01/48/55/961014855.db2.gz XTZBYBQVBVEBLM-UHFFFAOYSA-N 1 2 238.294 1.828 20 30 BDEDLO C#CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000692921079 961399385 /nfs/dbraw/zinc/39/93/85/961399385.db2.gz KCNOEWLHLLKCTO-UHFFFAOYSA-N 1 2 234.324 1.026 20 30 BDEDLO C=CCC(C)(C)C(=O)NC1C[NH+](CCCF)C1 ZINC001268456977 961830339 /nfs/dbraw/zinc/83/03/39/961830339.db2.gz VRDHLVUJGYBWJR-UHFFFAOYSA-N 1 2 242.338 1.749 20 30 BDEDLO N#C[C@@H]1C[C@H](F)CN1Cc1cccn2cc[nH+]c12 ZINC001142960404 961856392 /nfs/dbraw/zinc/85/63/92/961856392.db2.gz NJJADCRXJQECLD-RYUDHWBXSA-N 1 2 244.273 1.770 20 30 BDEDLO CC1(C#N)CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143018722 961866019 /nfs/dbraw/zinc/86/60/19/961866019.db2.gz LLWKSFMGLYQFDW-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO N#C[C@H]1CCN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143028211 961867975 /nfs/dbraw/zinc/86/79/75/961867975.db2.gz XVAXLCVWAJYECA-LLVKDONJSA-N 1 2 226.283 1.680 20 30 BDEDLO C[C@H](C#N)N(C)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152977121 962506837 /nfs/dbraw/zinc/50/68/37/962506837.db2.gz JRZPKKXDWXBQJD-MRVPVSSYSA-N 1 2 228.255 1.547 20 30 BDEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001269205102 962539439 /nfs/dbraw/zinc/53/94/39/962539439.db2.gz IBOAOUXDDWTNFV-SNVBAGLBSA-N 1 2 214.284 1.113 20 30 BDEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001269205102 962539465 /nfs/dbraw/zinc/53/94/65/962539465.db2.gz IBOAOUXDDWTNFV-SNVBAGLBSA-N 1 2 214.284 1.113 20 30 BDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(C#N)c1 ZINC001269715820 962769230 /nfs/dbraw/zinc/76/92/30/962769230.db2.gz YBICOIZNBOTIBU-BETUJISGSA-N 1 2 241.294 1.087 20 30 BDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(C#N)c1 ZINC001269715820 962769244 /nfs/dbraw/zinc/76/92/44/962769244.db2.gz YBICOIZNBOTIBU-BETUJISGSA-N 1 2 241.294 1.087 20 30 BDEDLO CC(C)(C)C(=[NH2+])Nc1cncc(CC#N)n1 ZINC001155180442 963007635 /nfs/dbraw/zinc/00/76/35/963007635.db2.gz YKFQXGULSMSSSP-UHFFFAOYSA-N 1 2 217.276 1.978 20 30 BDEDLO C#CCNc1[nH+]cc(C)cc1C(OC)OC ZINC001155654134 963140753 /nfs/dbraw/zinc/14/07/53/963140753.db2.gz MGWBIHYTLTYCJU-UHFFFAOYSA-N 1 2 220.272 1.727 20 30 BDEDLO N#CCc1cncc(NCCCn2cc[nH+]c2)c1 ZINC001161684708 963199344 /nfs/dbraw/zinc/19/93/44/963199344.db2.gz KCQKXBLBSOJETG-UHFFFAOYSA-N 1 2 241.298 1.846 20 30 BDEDLO N#Cc1c(F)ccnc1NCc1cc[nH+]c(N)c1 ZINC001156756763 963452907 /nfs/dbraw/zinc/45/29/07/963452907.db2.gz FSEDNELTJDEAQP-UHFFFAOYSA-N 1 2 243.245 1.682 20 30 BDEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1OC ZINC001156821175 963469657 /nfs/dbraw/zinc/46/96/57/963469657.db2.gz OSXYISCRJQSBKH-UHFFFAOYSA-N 1 2 249.314 1.585 20 30 BDEDLO C[C@@]1(O)C[C@H](CNc2cc(CC#N)cc[nH+]2)C1 ZINC001157559759 963662249 /nfs/dbraw/zinc/66/22/49/963662249.db2.gz ZJSHALHDYRLBSO-BJHJDKERSA-N 1 2 231.299 1.721 20 30 BDEDLO Cc1c[nH+]c(NCC2CC(=O)C2)c(/C=N/O)c1 ZINC001157608972 963677164 /nfs/dbraw/zinc/67/71/64/963677164.db2.gz JUGMYJKAZLGVCE-VIZOYTHASA-N 1 2 233.271 1.589 20 30 BDEDLO CN1C[C@@H](CNc2cc(CC#N)cc[nH+]2)CC1=O ZINC001157908374 963760621 /nfs/dbraw/zinc/76/06/21/963760621.db2.gz GFTIAGGRQLKHKS-LLVKDONJSA-N 1 2 244.298 1.038 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc(Cl)c(N)[nH+]1 ZINC001158818945 963936928 /nfs/dbraw/zinc/93/69/28/963936928.db2.gz MQNOVCGHCLCTTM-LURJTMIESA-N 1 2 213.668 1.276 20 30 BDEDLO CC(C)[NH+]1CC(Oc2ccc(C#N)cc2C#N)C1 ZINC001229036255 963953910 /nfs/dbraw/zinc/95/39/10/963953910.db2.gz QOKWWJUCCNAYCX-UHFFFAOYSA-N 1 2 241.294 1.901 20 30 BDEDLO C#CCCCNc1ccn2cc(N)[nH+]c2c1 ZINC001162445271 964978967 /nfs/dbraw/zinc/97/89/67/964978967.db2.gz CVWAVNSDZLZZAV-UHFFFAOYSA-N 1 2 214.272 1.742 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1NC1(C(N)=O)CC1 ZINC001162544475 965034682 /nfs/dbraw/zinc/03/46/82/965034682.db2.gz WIDYHVOSZXPOIA-UHFFFAOYSA-N 1 2 231.299 1.548 20 30 BDEDLO Cc1nc(C#N)c(C#N)nc1NC(=[NH2+])C(C)(C)C ZINC001162660042 965093154 /nfs/dbraw/zinc/09/31/54/965093154.db2.gz CDZOAKUHLVQDPJ-UHFFFAOYSA-N 1 2 242.286 1.964 20 30 BDEDLO N#CCc1cc[nH+]c(N2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001164043515 965712722 /nfs/dbraw/zinc/71/27/22/965712722.db2.gz MXVXMDXBUZULPZ-RYUDHWBXSA-N 1 2 249.289 1.304 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1cccc(Cl)n1 ZINC001164624470 965934910 /nfs/dbraw/zinc/93/49/10/965934910.db2.gz DIASAXXWCQRZQR-MRVPVSSYSA-N 1 2 222.679 1.037 20 30 BDEDLO CNc1ccc(Nc2oncc2C#N)c[nH+]1 ZINC001203449030 966646942 /nfs/dbraw/zinc/64/69/42/966646942.db2.gz WPAWFFQSXPPEMY-UHFFFAOYSA-N 1 2 215.216 1.727 20 30 BDEDLO COC(=O)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001203756698 966769226 /nfs/dbraw/zinc/76/92/26/966769226.db2.gz BTIDKPPPOAQLGG-UHFFFAOYSA-N 1 2 230.267 1.163 20 30 BDEDLO C=CCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737217 966781725 /nfs/dbraw/zinc/78/17/25/966781725.db2.gz MOJKULQKJLNLOC-SSDOTTSWSA-N 1 2 242.216 1.169 20 30 BDEDLO C=CCC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737217 966781734 /nfs/dbraw/zinc/78/17/34/966781734.db2.gz MOJKULQKJLNLOC-SSDOTTSWSA-N 1 2 242.216 1.169 20 30 BDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC)C1 ZINC001107689680 966817730 /nfs/dbraw/zinc/81/77/30/966817730.db2.gz VFFCJPZTABYJEZ-ZDUSSCGKSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC)C1 ZINC001107689680 966817731 /nfs/dbraw/zinc/81/77/31/966817731.db2.gz VFFCJPZTABYJEZ-ZDUSSCGKSA-N 1 2 240.347 1.180 20 30 BDEDLO C#Cc1nccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204959284 967254940 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/nfs/dbraw/zinc/63/42/80/968634280.db2.gz UNVUHOHFJXPMJR-LLVKDONJSA-N 1 2 245.326 1.698 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001085457788 968728325 /nfs/dbraw/zinc/72/83/25/968728325.db2.gz SBKXZVGHPQNXMZ-LBPRGKRZSA-N 1 2 246.310 1.449 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001085457788 968728335 /nfs/dbraw/zinc/72/83/35/968728335.db2.gz SBKXZVGHPQNXMZ-LBPRGKRZSA-N 1 2 246.310 1.449 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001085484953 968760957 /nfs/dbraw/zinc/76/09/57/968760957.db2.gz PBAAOZGADUSOOV-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001085484953 968760961 /nfs/dbraw/zinc/76/09/61/968760961.db2.gz PBAAOZGADUSOOV-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C=C[C@](C)(O)CNc1cccc2[nH+]ccn21 ZINC001252539049 968771887 /nfs/dbraw/zinc/77/18/87/968771887.db2.gz OYHACSGUCGYFHE-LBPRGKRZSA-N 1 2 217.272 1.683 20 30 BDEDLO C=CCC[C@@H](O)CNc1[nH+]cccc1O ZINC001252588021 968843866 /nfs/dbraw/zinc/84/38/66/968843866.db2.gz IRWBJKIEMFWFBR-SECBINFHSA-N 1 2 208.261 1.526 20 30 BDEDLO C=CCC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001252589920 968844718 /nfs/dbraw/zinc/84/47/18/968844718.db2.gz UFUSKWRWBXIDEA-SNVBAGLBSA-N 1 2 207.277 1.524 20 30 BDEDLO CC(=O)N1CCC(C[N@@H+]2CCC[C@H]2C#N)CC1 ZINC001208673953 969187786 /nfs/dbraw/zinc/18/77/86/969187786.db2.gz XLSUOVHQUPXIQU-ZDUSSCGKSA-N 1 2 235.331 1.233 20 30 BDEDLO COC(=O)C1(C)CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001168794707 969216222 /nfs/dbraw/zinc/21/62/22/969216222.db2.gz YGJATUZQVJPOQF-XSRFYTQQSA-N 1 2 238.331 1.952 20 30 BDEDLO COC(=O)C1(C)CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001168794707 969216231 /nfs/dbraw/zinc/21/62/31/969216231.db2.gz YGJATUZQVJPOQF-XSRFYTQQSA-N 1 2 238.331 1.952 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976013 969295407 /nfs/dbraw/zinc/29/54/07/969295407.db2.gz YGVGQKHCOWOXJT-WOPDTQHZSA-N 1 2 239.319 1.960 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001253605561 969303389 /nfs/dbraw/zinc/30/33/89/969303389.db2.gz UHNWJWIEGIIJNI-NEPJUHHUSA-N 1 2 241.331 1.245 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001253607750 969308968 /nfs/dbraw/zinc/30/89/68/969308968.db2.gz FFWUJKBMFMRAQL-UWVGGRQHSA-N 1 2 229.320 1.243 20 30 BDEDLO CC[C@H](C#N)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168989330 969344939 /nfs/dbraw/zinc/34/49/39/969344939.db2.gz WAFDRGOSWFXHLR-BBBLOLIVSA-N 1 2 211.265 1.324 20 30 BDEDLO N#Cc1cc(Cl)c(Cl)nc1NOCC[NH3+] ZINC001156291982 969568039 /nfs/dbraw/zinc/56/80/39/969568039.db2.gz XQMNSNXWWFWGJC-UHFFFAOYSA-N 1 2 247.085 1.562 20 30 BDEDLO N#Cc1ccnnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848426 969662117 /nfs/dbraw/zinc/66/21/17/969662117.db2.gz NRMFJUAKTLLIRY-UHFFFAOYSA-N 1 2 236.238 1.968 20 30 BDEDLO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCSC2=O)C1 ZINC001254635657 969754502 /nfs/dbraw/zinc/75/45/02/969754502.db2.gz HKLUMINLPXCUOH-YIZRAAEISA-N 1 2 210.302 1.300 20 30 BDEDLO C#C[C@](C)(CC)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001169696968 969815234 /nfs/dbraw/zinc/81/52/34/969815234.db2.gz FFMOPXIVOUSSES-CQSZACIVSA-N 1 2 244.342 1.678 20 30 BDEDLO C#C[C@](C)(CC)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001169696968 969815240 /nfs/dbraw/zinc/81/52/40/969815240.db2.gz FFMOPXIVOUSSES-CQSZACIVSA-N 1 2 244.342 1.678 20 30 BDEDLO CC[C@H](C#N)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254934240 969828248 /nfs/dbraw/zinc/82/82/48/969828248.db2.gz IJCVFJUAKYWNFN-OPRDCNLKSA-N 1 2 206.289 1.636 20 30 BDEDLO CC#C[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210225342 969837707 /nfs/dbraw/zinc/83/77/07/969837707.db2.gz RBLZBMOCRUNOSM-GFCCVEGCSA-N 1 2 211.305 1.137 20 30 BDEDLO Cc1[nH+]cc(Nc2ccc(C#N)nc2)cc1N ZINC001210287221 969855122 /nfs/dbraw/zinc/85/51/22/969855122.db2.gz OXSSOTPDYZPMNB-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCOCC1)C(=O)OCC ZINC001255034609 969858271 /nfs/dbraw/zinc/85/82/71/969858271.db2.gz TXYXHNJJWOOUCD-GWCFXTLKSA-N 1 2 239.315 1.263 20 30 BDEDLO C=C[C@@H](CO)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001169784504 969858939 /nfs/dbraw/zinc/85/89/39/969858939.db2.gz KVGJFIDTTQDNLV-JTQLQIEISA-N 1 2 247.273 1.970 20 30 BDEDLO N#CC1C[NH+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169935495 969884218 /nfs/dbraw/zinc/88/42/18/969884218.db2.gz GAWAPCFJDBSGTI-NSHDSACASA-N 1 2 222.288 1.127 20 30 BDEDLO C#Cc1cc(Nc2c[nH]c(=O)c(F)c2)cc[nH+]1 ZINC001210598616 969971343 /nfs/dbraw/zinc/97/13/43/969971343.db2.gz HNIBOCZSHDTHIP-UHFFFAOYSA-N 1 2 229.214 1.468 20 30 BDEDLO CC[C@H](CC#N)[NH2+]C[C@@H](F)C(C)(C)O ZINC001255164199 969973412 /nfs/dbraw/zinc/97/34/12/969973412.db2.gz KONMRJKYANDDBC-RKDXNWHRSA-N 1 2 202.273 1.377 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1cccnc1 ZINC001255163187 969974622 /nfs/dbraw/zinc/97/46/22/969974622.db2.gz CSZVFZMQXGDDLE-NEPJUHHUSA-N 1 2 219.288 1.397 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCCOCC)CC1 ZINC001112641466 970130458 /nfs/dbraw/zinc/13/04/58/970130458.db2.gz XDMFNZIVOVWPLX-UHFFFAOYSA-N 1 2 240.347 1.133 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC001112893311 970206272 /nfs/dbraw/zinc/20/62/72/970206272.db2.gz BVEVBIGLEOZIMI-UHFFFAOYSA-N 1 2 236.359 1.919 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170105758 970307249 /nfs/dbraw/zinc/30/72/49/970307249.db2.gz SSPIIQZHUMMZEU-YIZRAAEISA-N 1 2 217.334 1.236 20 30 BDEDLO CC(C)(C#N)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255613170 970399617 /nfs/dbraw/zinc/39/96/17/970399617.db2.gz GXEFXRDKRYHFKQ-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO C=CCCCC(=O)N1CC[NH+](CC=C)CC1 ZINC001113280045 970402188 /nfs/dbraw/zinc/40/21/88/970402188.db2.gz UZUILUDHJMIKGI-UHFFFAOYSA-N 1 2 222.332 1.673 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](OC)C1CC1 ZINC000400159064 970558508 /nfs/dbraw/zinc/55/85/08/970558508.db2.gz FSRPOCVBLZECPT-GFCCVEGCSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](OC)C1CC1 ZINC000400159064 970558520 /nfs/dbraw/zinc/55/85/20/970558520.db2.gz FSRPOCVBLZECPT-GFCCVEGCSA-N 1 2 241.331 1.463 20 30 BDEDLO C[C@@H](OCc1c[nH+]cn1C)[C@H](C)S ZINC001222600373 972599005 /nfs/dbraw/zinc/59/90/05/972599005.db2.gz NNISBXINVNSXPX-SFYZADRCSA-N 1 2 200.307 1.644 20 30 BDEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(CCN2C)C1 ZINC001276857116 972804677 /nfs/dbraw/zinc/80/46/77/972804677.db2.gz WEMQXNKZZUQTOQ-UHFFFAOYSA-N 1 2 241.338 1.757 20 30 BDEDLO N#CC1(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001327964695 972833990 /nfs/dbraw/zinc/83/39/90/972833990.db2.gz LXJWHFWJWDTJFT-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO CC[NH+]1CC(OCc2cc(C#N)ccn2)C1 ZINC001223361832 973025627 /nfs/dbraw/zinc/02/56/27/973025627.db2.gz OAKFSXUIKSGUNV-UHFFFAOYSA-N 1 2 217.272 1.174 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720824399 973072301 /nfs/dbraw/zinc/07/23/01/973072301.db2.gz SUHAERYKQXPRHL-GFCCVEGCSA-N 1 2 228.295 1.967 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720824399 973072308 /nfs/dbraw/zinc/07/23/08/973072308.db2.gz SUHAERYKQXPRHL-GFCCVEGCSA-N 1 2 228.295 1.967 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC#CC ZINC001276916508 973248671 /nfs/dbraw/zinc/24/86/71/973248671.db2.gz QGFMYWWSTOISQG-DZGCQCFKSA-N 1 2 248.370 1.803 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CC#CC ZINC001276916508 973248686 /nfs/dbraw/zinc/24/86/86/973248686.db2.gz QGFMYWWSTOISQG-DZGCQCFKSA-N 1 2 248.370 1.803 20 30 BDEDLO N#Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)s1 ZINC001328868053 973379619 /nfs/dbraw/zinc/37/96/19/973379619.db2.gz VBKLKNOCTVXMAW-UHFFFAOYSA-N 1 2 244.323 1.901 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)OC ZINC001329391220 973733169 /nfs/dbraw/zinc/73/31/69/973733169.db2.gz BRVMWFRCBJLUND-UWVGGRQHSA-N 1 2 248.754 1.210 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)OC ZINC001329391220 973733180 /nfs/dbraw/zinc/73/31/80/973733180.db2.gz BRVMWFRCBJLUND-UWVGGRQHSA-N 1 2 248.754 1.210 20 30 BDEDLO N#Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)co1 ZINC001329515431 973806733 /nfs/dbraw/zinc/80/67/33/973806733.db2.gz CQZSJKJAZRHMSW-UHFFFAOYSA-N 1 2 242.238 1.004 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171794169 974183989 /nfs/dbraw/zinc/18/39/89/974183989.db2.gz OJQYLCMXESUGDB-NWDGAFQWSA-N 1 2 245.301 1.090 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172165465 974428277 /nfs/dbraw/zinc/42/82/77/974428277.db2.gz JGTVYWQSAWWRCI-UTUOFQBUSA-N 1 2 233.315 1.128 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172165465 974428280 /nfs/dbraw/zinc/42/82/80/974428280.db2.gz JGTVYWQSAWWRCI-UTUOFQBUSA-N 1 2 233.315 1.128 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](CC)CC(C)C)C(=O)OC ZINC001172393412 974745080 /nfs/dbraw/zinc/74/50/80/974745080.db2.gz WUGWEFRBTFQSJY-RYUDHWBXSA-N 1 2 225.332 1.966 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC(C#N)C2)CC1 ZINC001172780924 974938161 /nfs/dbraw/zinc/93/81/61/974938161.db2.gz GSBAUGGVKPUJFG-VXGBXAGGSA-N 1 2 236.315 1.564 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172925019 974970987 /nfs/dbraw/zinc/97/09/87/974970987.db2.gz VLWCUYLBLMFBGN-GUBZILKMSA-N 1 2 247.360 1.005 20 30 BDEDLO C#CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CSC1 ZINC001332208483 975007395 /nfs/dbraw/zinc/00/73/95/975007395.db2.gz DCBFSSLCOXPPIH-SNVBAGLBSA-N 1 2 249.339 1.021 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cncc(C#N)c1 ZINC001226683673 975021992 /nfs/dbraw/zinc/02/19/92/975021992.db2.gz ICGUIZBRRIEIGS-NSHDSACASA-N 1 2 247.298 1.053 20 30 BDEDLO CC[C@@H]1CC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001173272314 975147509 /nfs/dbraw/zinc/14/75/09/975147509.db2.gz IFKOCWOBCKHBEO-IJLUTSLNSA-N 1 2 207.321 1.362 20 30 BDEDLO C#C[C@H](Oc1c(C)cc[nH+]c1C)C(=O)OCC ZINC001227264650 975338959 /nfs/dbraw/zinc/33/89/59/975338959.db2.gz PHEZCKLWXOVZRJ-NSHDSACASA-N 1 2 233.267 1.642 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173773083 975605401 /nfs/dbraw/zinc/60/54/01/975605401.db2.gz ZMVYWVFOHLZZKE-MXWKQRLJSA-N 1 2 234.307 1.001 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173773083 975605410 /nfs/dbraw/zinc/60/54/10/975605410.db2.gz ZMVYWVFOHLZZKE-MXWKQRLJSA-N 1 2 234.307 1.001 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC001334900237 976780648 /nfs/dbraw/zinc/78/06/48/976780648.db2.gz OMIBUAOZCIXQCR-ZDUSSCGKSA-N 1 2 248.330 1.390 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC001334900237 976780659 /nfs/dbraw/zinc/78/06/59/976780659.db2.gz OMIBUAOZCIXQCR-ZDUSSCGKSA-N 1 2 248.330 1.390 20 30 BDEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001335088483 976847493 /nfs/dbraw/zinc/84/74/93/976847493.db2.gz FFRKNUYRCMTUOP-RQJHMYQMSA-N 1 2 242.229 1.789 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC001335267976 976911398 /nfs/dbraw/zinc/91/13/98/976911398.db2.gz UGLRQLSVEZMURB-MNOVXSKESA-N 1 2 238.335 1.711 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cccc(C#N)n1 ZINC001230039570 977102414 /nfs/dbraw/zinc/10/24/14/977102414.db2.gz XLXRIVCRTLSUQT-NSHDSACASA-N 1 2 247.298 1.053 20 30 BDEDLO CN(C)c1ccc(Nc2oncc2C#N)c[nH+]1 ZINC001175341860 977366694 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986133018 /nfs/dbraw/zinc/13/30/18/986133018.db2.gz MIWMDJUDJLESAJ-NSHDSACASA-N 1 2 247.294 1.336 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001253587065 986170511 /nfs/dbraw/zinc/17/05/11/986170511.db2.gz YJQWQLIGJHTBGK-OLZOCXBDSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001253587065 986170528 /nfs/dbraw/zinc/17/05/28/986170528.db2.gz YJQWQLIGJHTBGK-OLZOCXBDSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001253587064 986172287 /nfs/dbraw/zinc/17/22/87/986172287.db2.gz YJQWQLIGJHTBGK-CHWSQXEVSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001253587064 986172335 /nfs/dbraw/zinc/17/23/35/986172335.db2.gz YJQWQLIGJHTBGK-CHWSQXEVSA-N 1 2 234.299 1.002 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(C)c2)C1 ZINC001042654857 986331270 /nfs/dbraw/zinc/33/12/70/986331270.db2.gz CSZXLGDQAWXPAD-UHFFFAOYSA-N 1 2 246.310 1.368 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 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ZINC001470193634 987031075 /nfs/dbraw/zinc/03/10/75/987031075.db2.gz PXXRRURVMBGADT-UHFFFAOYSA-N 1 2 248.330 1.675 20 30 BDEDLO C[NH+]1CC(NC(=S)Nc2ccc(C#N)cc2)C1 ZINC001245935865 987196697 /nfs/dbraw/zinc/19/66/97/987196697.db2.gz ZCIWNDVAKWORHY-UHFFFAOYSA-N 1 2 246.339 1.159 20 30 BDEDLO C#Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC001472286554 987206566 /nfs/dbraw/zinc/20/65/66/987206566.db2.gz ZXEYDZHMGSTYJQ-UHFFFAOYSA-N 1 2 225.251 1.503 20 30 BDEDLO CN(C)c1ncccc1C[NH2+]CC(C)(C)C#N ZINC001117579868 987848015 /nfs/dbraw/zinc/84/80/15/987848015.db2.gz DFGNPMGVSKRHPZ-UHFFFAOYSA-N 1 2 232.331 1.787 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001480092136 987942206 /nfs/dbraw/zinc/94/22/06/987942206.db2.gz LDFNNMNVBPLPQM-MELADBBJSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001480092136 987942210 /nfs/dbraw/zinc/94/22/10/987942210.db2.gz LDFNNMNVBPLPQM-MELADBBJSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CCCCCC(=O)NC1C[NH+](CC(=C)C)C1 ZINC001494372436 988136995 /nfs/dbraw/zinc/13/69/95/988136995.db2.gz ISASVAKZNUBCFN-UHFFFAOYSA-N 1 2 234.343 1.557 20 30 BDEDLO Cn1c[nH+]c(CCNC(=O)CCCCC#N)c1 ZINC001118309608 988211810 /nfs/dbraw/zinc/21/18/10/988211810.db2.gz YTRZHISJGCBKHK-UHFFFAOYSA-N 1 2 234.303 1.163 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001323290072 988487701 /nfs/dbraw/zinc/48/77/01/988487701.db2.gz IBSXEPNMEIWKQF-WDEREUQCSA-N 1 2 233.315 1.608 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001499059334 988532619 /nfs/dbraw/zinc/53/26/19/988532619.db2.gz ZOSSNWRXJNAIOQ-CYBMUJFWSA-N 1 2 248.370 1.781 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001499059334 988532627 /nfs/dbraw/zinc/53/26/27/988532627.db2.gz ZOSSNWRXJNAIOQ-CYBMUJFWSA-N 1 2 248.370 1.781 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)CC=C)C1 ZINC001499752202 988559849 /nfs/dbraw/zinc/55/98/49/988559849.db2.gz QTGLWSKBODYLMT-UHFFFAOYSA-N 1 2 248.370 1.755 20 30 BDEDLO C#CCN(CC1CC1)C(=O)CCCn1cc[nH+]c1 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/nfs/dbraw/zinc/96/54/54/988965454.db2.gz CPRPCOUKNVGZLO-UHFFFAOYSA-N 1 2 238.360 1.003 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ocnc1C)[C@H]1CCCO1 ZINC001119445908 989080904 /nfs/dbraw/zinc/08/09/04/989080904.db2.gz RLPKGFQYHQBDEE-GHMZBOCLSA-N 1 2 220.272 1.253 20 30 BDEDLO CN(C)c1ncccc1C=[NH+]OCC(F)F ZINC001325253651 989133060 /nfs/dbraw/zinc/13/30/60/989133060.db2.gz IVDAOLJTNGAEPT-UHFFFAOYSA-N 1 2 229.230 1.763 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC001119728897 989369178 /nfs/dbraw/zinc/36/91/78/989369178.db2.gz LWVPYOBOFNYFLX-CYBMUJFWSA-N 1 2 230.315 1.789 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC001119728897 989369191 /nfs/dbraw/zinc/36/91/91/989369191.db2.gz LWVPYOBOFNYFLX-CYBMUJFWSA-N 1 2 230.315 1.789 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@](O)(C3CC3)C2)n1 ZINC001326137284 989388649 /nfs/dbraw/zinc/38/86/49/989388649.db2.gz HIMKISMWYGYTHY-GFCCVEGCSA-N 1 2 249.339 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@](O)(C3CC3)C2)n1 ZINC001326137284 989388657 /nfs/dbraw/zinc/38/86/57/989388657.db2.gz HIMKISMWYGYTHY-GFCCVEGCSA-N 1 2 249.339 1.362 20 30 BDEDLO C=CC(C)(C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001120017514 989567386 /nfs/dbraw/zinc/56/73/86/989567386.db2.gz BQYCPNXERDUHLT-JTQLQIEISA-N 1 2 236.319 1.535 20 30 BDEDLO C=CCOCCNc1cc(N(C)C)nc[nH+]1 ZINC001120050829 989579123 /nfs/dbraw/zinc/57/91/23/989579123.db2.gz IZFDOPMWLKHZPJ-UHFFFAOYSA-N 1 2 222.292 1.157 20 30 BDEDLO C=CCOCCNc1cc(N(C)C)[nH+]cn1 ZINC001120050829 989579132 /nfs/dbraw/zinc/57/91/32/989579132.db2.gz IZFDOPMWLKHZPJ-UHFFFAOYSA-N 1 2 222.292 1.157 20 30 BDEDLO C=C(CC(C)C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001520792595 989606283 /nfs/dbraw/zinc/60/62/83/989606283.db2.gz BNSJSDAAKYPLPD-LBPRGKRZSA-N 1 2 235.331 1.990 20 30 BDEDLO C=C(C)CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001120687516 989831766 /nfs/dbraw/zinc/83/17/66/989831766.db2.gz GDIVYEVKSBKKNE-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(C)CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001120687516 989831767 /nfs/dbraw/zinc/83/17/67/989831767.db2.gz GDIVYEVKSBKKNE-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CC(C)(C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001535973567 990477912 /nfs/dbraw/zinc/47/79/12/990477912.db2.gz GSEGIKHQJCZNIU-NSHDSACASA-N 1 2 247.342 1.948 20 30 BDEDLO C=C(CC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001123683571 990646394 /nfs/dbraw/zinc/64/63/94/990646394.db2.gz GKWADPLVNIJOJZ-JTQLQIEISA-N 1 2 221.304 1.602 20 30 BDEDLO Cn1cc[nH+]c1CCNC(=O)CCCCC#N ZINC001124015483 990735074 /nfs/dbraw/zinc/73/50/74/990735074.db2.gz ZAVBOZBBCMJKEC-UHFFFAOYSA-N 1 2 234.303 1.163 20 30 BDEDLO C=C(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001556693793 990844254 /nfs/dbraw/zinc/84/42/54/990844254.db2.gz DNGWPWAUGDGUJK-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C=C(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001556693793 990844255 /nfs/dbraw/zinc/84/42/55/990844255.db2.gz DNGWPWAUGDGUJK-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841226 990913204 /nfs/dbraw/zinc/91/32/04/990913204.db2.gz FOFZQLIYLSYENG-SECBINFHSA-N 1 2 244.298 1.098 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ncccc2O)C1 ZINC001138396002 990933279 /nfs/dbraw/zinc/93/32/79/990933279.db2.gz GBVDWDAHVBGUCX-GFCCVEGCSA-N 1 2 217.272 1.523 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ncccc2O)C1 ZINC001138396002 990933285 /nfs/dbraw/zinc/93/32/85/990933285.db2.gz GBVDWDAHVBGUCX-GFCCVEGCSA-N 1 2 217.272 1.523 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ncccc2O)C1 ZINC001138394516 990937554 /nfs/dbraw/zinc/93/75/54/990937554.db2.gz UUVNJVLAOLMNCS-VIFPVBQESA-N 1 2 203.245 1.133 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ncccc2O)C1 ZINC001138394516 990937562 /nfs/dbraw/zinc/93/75/62/990937562.db2.gz UUVNJVLAOLMNCS-VIFPVBQESA-N 1 2 203.245 1.133 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ncccc2O)C1 ZINC001138394572 990938147 /nfs/dbraw/zinc/93/81/47/990938147.db2.gz WRFKYNPGPUJORM-JTQLQIEISA-N 1 2 217.272 1.523 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2ncccc2O)C1 ZINC001138394572 990938152 /nfs/dbraw/zinc/93/81/52/990938152.db2.gz WRFKYNPGPUJORM-JTQLQIEISA-N 1 2 217.272 1.523 20 30 BDEDLO CCOC(=O)CCC[C@@H](C)[N@H+](C)[C@H](C)C#N ZINC001258133507 991025307 /nfs/dbraw/zinc/02/53/07/991025307.db2.gz YGLZCROLERPQTM-GHMZBOCLSA-N 1 2 226.320 1.952 20 30 BDEDLO CCOC(=O)CCC[C@@H](C)[N@@H+](C)[C@H](C)C#N ZINC001258133507 991025313 /nfs/dbraw/zinc/02/53/13/991025313.db2.gz YGLZCROLERPQTM-GHMZBOCLSA-N 1 2 226.320 1.952 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc2[nH]ccc2c1 ZINC001138739708 991028574 /nfs/dbraw/zinc/02/85/74/991028574.db2.gz CWKZDHNVSRHEHP-UHFFFAOYSA-N 1 2 223.279 1.631 20 30 BDEDLO CCc1[nH]c(CNc2cc(C#N)cnn2)c[nH+]1 ZINC001559290443 991065670 /nfs/dbraw/zinc/06/56/70/991065670.db2.gz OTRHDYCZRFCBSO-UHFFFAOYSA-N 1 2 228.259 1.246 20 30 BDEDLO CCc1[nH]cc(CNc2cc(C#N)cnn2)[nH+]1 ZINC001559290443 991065676 /nfs/dbraw/zinc/06/56/76/991065676.db2.gz OTRHDYCZRFCBSO-UHFFFAOYSA-N 1 2 228.259 1.246 20 30 BDEDLO CSC(C)(C)C[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258333841 991259855 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349464019 /nfs/dbraw/zinc/46/40/19/349464019.db2.gz ZIRMQWKRAVEUCT-CYBMUJFWSA-N 1 2 246.314 1.323 20 30 BDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000378698133 346810302 /nfs/dbraw/zinc/81/03/02/346810302.db2.gz HEALHDXTRJMMKX-SNVBAGLBSA-N 1 2 229.320 1.366 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)noc1C ZINC000174524555 192025831 /nfs/dbraw/zinc/02/58/31/192025831.db2.gz DICXKDMUXSKOMR-UHFFFAOYSA-N 1 2 202.257 1.360 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nnc2ccccn21 ZINC000649340860 398158161 /nfs/dbraw/zinc/15/81/61/398158161.db2.gz DETUADKMKLBYJN-NSHDSACASA-N 1 2 246.314 1.098 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nnc2ccccn21 ZINC000649340860 398158163 /nfs/dbraw/zinc/15/81/63/398158163.db2.gz DETUADKMKLBYJN-NSHDSACASA-N 1 2 246.314 1.098 20 30 BDEDLO C=CC[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000277905251 398179465 /nfs/dbraw/zinc/17/94/65/398179465.db2.gz UOPSTHGOZDYBTQ-LURJTMIESA-N 1 2 228.683 1.061 20 30 BDEDLO C=CC[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000277905251 398179467 /nfs/dbraw/zinc/17/94/67/398179467.db2.gz UOPSTHGOZDYBTQ-LURJTMIESA-N 1 2 228.683 1.061 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCC1CCCCC1 ZINC000339760024 398166291 /nfs/dbraw/zinc/16/62/91/398166291.db2.gz INASHZXDZCNTGD-UHFFFAOYSA-N 1 2 236.359 1.638 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCC1CCCCC1 ZINC000339760024 398166294 /nfs/dbraw/zinc/16/62/94/398166294.db2.gz INASHZXDZCNTGD-UHFFFAOYSA-N 1 2 236.359 1.638 20 30 BDEDLO Cc1cc(CNC(=O)NC[C@@H](C)C#N)cc(C)[nH+]1 ZINC000572868284 398203491 /nfs/dbraw/zinc/20/34/91/398203491.db2.gz DPHQUTFWVHQHCD-VIFPVBQESA-N 1 2 246.314 1.657 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccn(C)n1 ZINC000576339562 365569476 /nfs/dbraw/zinc/56/94/76/365569476.db2.gz CCUJQNTXXKZGBM-GHMZBOCLSA-N 1 2 231.303 1.514 20 30 BDEDLO CCO[C@@H]1C[C@H]1Nc1cc(C)[nH+]cc1C#N ZINC000576340978 365570856 /nfs/dbraw/zinc/57/08/56/365570856.db2.gz XVPJCYVZABVLKK-VXGBXAGGSA-N 1 2 217.272 1.273 20 30 BDEDLO C[C@@H](O[NH+]=C(N)CCO)c1cccc(C#N)c1 ZINC000194668204 136221150 /nfs/dbraw/zinc/22/11/50/136221150.db2.gz UFGPBKOZZSGVBZ-SECBINFHSA-N 1 2 233.271 1.290 20 30 BDEDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)cc(C#N)n1 ZINC000308269206 178185899 /nfs/dbraw/zinc/18/58/99/178185899.db2.gz QSXYAAFJGNLCSA-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO C=CCCOCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000281380793 538938669 /nfs/dbraw/zinc/93/86/69/538938669.db2.gz YIWXDQBAJIXDIZ-UHFFFAOYSA-N 1 2 237.303 1.051 20 30 BDEDLO C=CCCOCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000281380793 538938670 /nfs/dbraw/zinc/93/86/70/538938670.db2.gz YIWXDQBAJIXDIZ-UHFFFAOYSA-N 1 2 237.303 1.051 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000576595922 365634591 /nfs/dbraw/zinc/63/45/91/365634591.db2.gz RNGJVBSUQLJCEP-GHMZBOCLSA-N 1 2 248.330 1.596 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000576595922 365634595 /nfs/dbraw/zinc/63/45/95/365634595.db2.gz RNGJVBSUQLJCEP-GHMZBOCLSA-N 1 2 248.330 1.596 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000576648051 365651103 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/nfs/dbraw/zinc/27/19/20/398271920.db2.gz NRDOPTOHOGUPIR-WDEREUQCSA-N 1 2 212.268 1.351 20 30 BDEDLO Cc1c[nH]c(CN2CC[C@@](F)(C#N)C2)[nH+]1 ZINC000600151454 342691594 /nfs/dbraw/zinc/69/15/94/342691594.db2.gz MVBGPBCNFVUJJR-SNVBAGLBSA-N 1 2 208.240 1.156 20 30 BDEDLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000600176065 342696377 /nfs/dbraw/zinc/69/63/77/342696377.db2.gz CPUBDVWOCNPBMT-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1c[nH]c(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000600176065 342696378 /nfs/dbraw/zinc/69/63/78/342696378.db2.gz CPUBDVWOCNPBMT-LLVKDONJSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1c(C[NH2+]CCC#N)cccc1[N+](=O)[O-] ZINC000231885237 342741774 /nfs/dbraw/zinc/74/17/74/342741774.db2.gz VEMVJFCIARQWDB-UHFFFAOYSA-N 1 2 219.244 1.907 20 30 BDEDLO Cc1cncc(CC[N@@H+](C)[C@H](C)CC#N)n1 ZINC000402592525 342730141 /nfs/dbraw/zinc/73/01/41/342730141.db2.gz FZKPJBLGSGFYAZ-LLVKDONJSA-N 1 2 218.304 1.562 20 30 BDEDLO Cc1cncc(CC[N@H+](C)[C@H](C)CC#N)n1 ZINC000402592525 342730143 /nfs/dbraw/zinc/73/01/43/342730143.db2.gz FZKPJBLGSGFYAZ-LLVKDONJSA-N 1 2 218.304 1.562 20 30 BDEDLO CSCC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356121125 398289141 /nfs/dbraw/zinc/28/91/41/398289141.db2.gz IZTRAZHITXAJQH-UHFFFAOYSA-N 1 2 227.358 1.810 20 30 BDEDLO CSCC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356121125 398289142 /nfs/dbraw/zinc/28/91/42/398289142.db2.gz IZTRAZHITXAJQH-UHFFFAOYSA-N 1 2 227.358 1.810 20 30 BDEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000380154378 538986446 /nfs/dbraw/zinc/98/64/46/538986446.db2.gz YQJSJLNNPSHFRW-DTWKUNHWSA-N 1 2 207.277 1.831 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccnn1CC1CCC1 ZINC000602606553 349628296 /nfs/dbraw/zinc/62/82/96/349628296.db2.gz AIISZKGVHPSTRL-NSHDSACASA-N 1 2 232.331 1.932 20 30 BDEDLO COc1cncc(C[NH2+]C[C@H](C)C#N)c1C ZINC000602607959 349631013 /nfs/dbraw/zinc/63/10/13/349631013.db2.gz NVRUTEQSJHDAGQ-SECBINFHSA-N 1 2 219.288 1.648 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cccc(C#N)n1 ZINC000602610555 349634756 /nfs/dbraw/zinc/63/47/56/349634756.db2.gz BGBMDUZTRFDYQI-UHFFFAOYSA-N 1 2 214.272 1.593 20 30 BDEDLO CC1(C)C[N@H+](CC2(C#N)CCC2)C[C@@H](CO)O1 ZINC000331899011 398313309 /nfs/dbraw/zinc/31/33/09/398313309.db2.gz FANKEQJSWWEGKR-NSHDSACASA-N 1 2 238.331 1.152 20 30 BDEDLO CC1(C)C[N@@H+](CC2(C#N)CCC2)C[C@@H](CO)O1 ZINC000331899011 398313313 /nfs/dbraw/zinc/31/33/13/398313313.db2.gz FANKEQJSWWEGKR-NSHDSACASA-N 1 2 238.331 1.152 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)CCc1ccccn1 ZINC000036667801 342909427 /nfs/dbraw/zinc/90/94/27/342909427.db2.gz ZILQTKQCGMZNHH-NSHDSACASA-N 1 2 203.289 1.716 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)CCc1ccccn1 ZINC000036667801 342909428 /nfs/dbraw/zinc/90/94/28/342909428.db2.gz ZILQTKQCGMZNHH-NSHDSACASA-N 1 2 203.289 1.716 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H](CC)C1CC1)C(=O)OC ZINC000602644209 349656279 /nfs/dbraw/zinc/65/62/79/349656279.db2.gz WVQHKPQORLPVHA-NEPJUHHUSA-N 1 2 241.331 1.509 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000602629997 349664952 /nfs/dbraw/zinc/66/49/52/349664952.db2.gz OAJYMQZOXIZKET-WDEREUQCSA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000602629997 349664955 /nfs/dbraw/zinc/66/49/55/349664955.db2.gz OAJYMQZOXIZKET-WDEREUQCSA-N 1 2 209.268 1.864 20 30 BDEDLO CC[C@@](C)(C[N@@H+]1CC[C@](F)(C#N)C1)OC ZINC000602629950 349665146 /nfs/dbraw/zinc/66/51/46/349665146.db2.gz NBUNXPKGHVQMKA-QWRGUYRKSA-N 1 2 214.284 1.739 20 30 BDEDLO CC[C@@](C)(C[N@H+]1CC[C@](F)(C#N)C1)OC ZINC000602629950 349665147 /nfs/dbraw/zinc/66/51/47/349665147.db2.gz NBUNXPKGHVQMKA-QWRGUYRKSA-N 1 2 214.284 1.739 20 30 BDEDLO COCCN(CC#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602687711 349678249 /nfs/dbraw/zinc/67/82/49/349678249.db2.gz LPRJIJXUHRUESB-LBPRGKRZSA-N 1 2 248.330 1.343 20 30 BDEDLO CN(CCC#N)Cc1cn2ccccc2[nH+]1 ZINC000019834154 342959068 /nfs/dbraw/zinc/95/90/68/342959068.db2.gz JGMIGZDXIQSLBT-UHFFFAOYSA-N 1 2 214.272 1.680 20 30 BDEDLO N#Cc1cccc(C[NH+]2CC3(CC3(F)F)C2)n1 ZINC000602706365 349700258 /nfs/dbraw/zinc/70/02/58/349700258.db2.gz OTPWZNFVFVZCJM-UHFFFAOYSA-N 1 2 235.237 1.794 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000602712034 349703824 /nfs/dbraw/zinc/70/38/24/349703824.db2.gz WXWRAOGZYLHSHO-ZJUUUORDSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000602712034 349703827 /nfs/dbraw/zinc/70/38/27/349703827.db2.gz WXWRAOGZYLHSHO-ZJUUUORDSA-N 1 2 232.274 1.628 20 30 BDEDLO C=C(C)C[C@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000602735594 349720794 /nfs/dbraw/zinc/72/07/94/349720794.db2.gz YCMYXXZGXLGZMW-JTQLQIEISA-N 1 2 237.303 1.018 20 30 BDEDLO CCN(C#N)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000602805722 349735708 /nfs/dbraw/zinc/73/57/08/349735708.db2.gz PEMQNSWQYQFKRD-LBPRGKRZSA-N 1 2 220.320 1.415 20 30 BDEDLO CCN(C#N)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000602805722 349735710 /nfs/dbraw/zinc/73/57/10/349735710.db2.gz PEMQNSWQYQFKRD-LBPRGKRZSA-N 1 2 220.320 1.415 20 30 BDEDLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000602817213 349758695 /nfs/dbraw/zinc/75/86/95/349758695.db2.gz UDVMTFYMUOCGSN-AXFHLTTASA-N 1 2 212.268 1.349 20 30 BDEDLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@](F)(C#N)C1 ZINC000602817213 349758698 /nfs/dbraw/zinc/75/86/98/349758698.db2.gz UDVMTFYMUOCGSN-AXFHLTTASA-N 1 2 212.268 1.349 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000602863210 349774591 /nfs/dbraw/zinc/77/45/91/349774591.db2.gz ODYCQPIJHJFFRT-QWRGUYRKSA-N 1 2 249.358 1.668 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000602863267 349780941 /nfs/dbraw/zinc/78/09/41/349780941.db2.gz OJFQJLGAYHXERN-NSHDSACASA-N 1 2 249.358 1.812 20 30 BDEDLO C=C(C)C[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000602880603 349791329 /nfs/dbraw/zinc/79/13/29/349791329.db2.gz IAXDFOHMUYIYBJ-ZDUSSCGKSA-N 1 2 233.311 1.936 20 30 BDEDLO Cc1nnc(C[N@@H+](C)CC2(CC#N)CC2)o1 ZINC000602884950 349792879 /nfs/dbraw/zinc/79/28/79/349792879.db2.gz LTJCJRBNQKKNRK-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO Cc1nnc(C[N@H+](C)CC2(CC#N)CC2)o1 ZINC000602884950 349792883 /nfs/dbraw/zinc/79/28/83/349792883.db2.gz LTJCJRBNQKKNRK-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO C[C@H]1C[N@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373795436 136269502 /nfs/dbraw/zinc/26/95/02/136269502.db2.gz DVVWTHUTDAABMZ-NWDGAFQWSA-N 1 2 224.304 1.170 20 30 BDEDLO C[C@H]1C[N@@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373795436 136269503 /nfs/dbraw/zinc/26/95/03/136269503.db2.gz DVVWTHUTDAABMZ-NWDGAFQWSA-N 1 2 224.304 1.170 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@@H]2C=CCCC2)nn1 ZINC000640944237 362089816 /nfs/dbraw/zinc/08/98/16/362089816.db2.gz ATZYLDXGOBUGAU-CYBMUJFWSA-N 1 2 230.315 1.672 20 30 BDEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)CC#N ZINC000602866940 349798822 /nfs/dbraw/zinc/79/88/22/349798822.db2.gz AFWZFBJROSWJGE-SNVBAGLBSA-N 1 2 229.283 1.959 20 30 BDEDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CC#N ZINC000602869710 349800535 /nfs/dbraw/zinc/80/05/35/349800535.db2.gz HMMQQRKVBFXUCI-SECBINFHSA-N 1 2 249.270 1.995 20 30 BDEDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC#N)cn1 ZINC000602869993 349800729 /nfs/dbraw/zinc/80/07/29/349800729.db2.gz JSIIMIWWWCHZQX-WCBMZHEXSA-N 1 2 204.277 1.738 20 30 BDEDLO CCO[NH+]=C(N)COc1ccccc1F ZINC000186863889 136275565 /nfs/dbraw/zinc/27/55/65/136275565.db2.gz XOHLPCNTDYHLIU-UHFFFAOYSA-N 1 2 212.224 1.513 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000608919539 343243318 /nfs/dbraw/zinc/24/33/18/343243318.db2.gz WNNMVOIBORQGNB-NEPJUHHUSA-N 1 2 246.310 1.918 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000608919539 343243320 /nfs/dbraw/zinc/24/33/20/343243320.db2.gz WNNMVOIBORQGNB-NEPJUHHUSA-N 1 2 246.310 1.918 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000608919541 343243335 /nfs/dbraw/zinc/24/33/35/343243335.db2.gz WNNMVOIBORQGNB-RYUDHWBXSA-N 1 2 246.310 1.918 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000608919541 343243337 /nfs/dbraw/zinc/24/33/37/343243337.db2.gz WNNMVOIBORQGNB-RYUDHWBXSA-N 1 2 246.310 1.918 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)CC(C)(C)C#N ZINC000293305856 136289462 /nfs/dbraw/zinc/28/94/62/136289462.db2.gz IRWXMCPCGFHUQD-UHFFFAOYSA-N 1 2 247.298 1.646 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000602871543 349803654 /nfs/dbraw/zinc/80/36/54/349803654.db2.gz SSURKJQCMUHCHE-MRVPVSSYSA-N 1 2 242.300 1.075 20 30 BDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCNC1=O ZINC000298243227 343266456 /nfs/dbraw/zinc/26/64/56/343266456.db2.gz SHYBDIYLBVTLJF-ZDUSSCGKSA-N 1 2 248.301 1.702 20 30 BDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCNC1=O ZINC000298243227 343266458 /nfs/dbraw/zinc/26/64/58/343266458.db2.gz SHYBDIYLBVTLJF-ZDUSSCGKSA-N 1 2 248.301 1.702 20 30 BDEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCCOC2)c1O ZINC000298768968 136291455 /nfs/dbraw/zinc/29/14/55/136291455.db2.gz GZPGRHVMUMFRPF-CEITULEQSA-N 1 2 235.283 1.943 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(CO)ccc1F ZINC000602871729 349803255 /nfs/dbraw/zinc/80/32/55/349803255.db2.gz VJOUFUWRQULTJL-VIFPVBQESA-N 1 2 222.263 1.710 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000119762549 136292441 /nfs/dbraw/zinc/29/24/41/136292441.db2.gz WBCGSFSQZAYMMF-UHFFFAOYSA-N 1 2 229.327 1.223 20 30 BDEDLO CC#CCN1CC[NH+](Cc2cccnc2)CC1 ZINC000119762549 136292442 /nfs/dbraw/zinc/29/24/42/136292442.db2.gz WBCGSFSQZAYMMF-UHFFFAOYSA-N 1 2 229.327 1.223 20 30 BDEDLO N#CCC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000609144182 343320390 /nfs/dbraw/zinc/32/03/90/343320390.db2.gz UIISZYIEQZJXIJ-UHFFFAOYSA-N 1 2 245.330 1.317 20 30 BDEDLO Cc1c[nH+]c(CN2CCC(F)(C#N)CC2)n1C ZINC000348718921 136294316 /nfs/dbraw/zinc/29/43/16/136294316.db2.gz YNPKIRCTZAUDGH-UHFFFAOYSA-N 1 2 236.294 1.556 20 30 BDEDLO CC[C@H](Nc1cc(C#N)ncn1)c1[nH]cc[nH+]1 ZINC000310175805 343370034 /nfs/dbraw/zinc/37/00/34/343370034.db2.gz MFQHZFCHAKSGEW-VIFPVBQESA-N 1 2 228.259 1.635 20 30 BDEDLO N#Cc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000344131720 343348421 /nfs/dbraw/zinc/34/84/21/343348421.db2.gz KISQWEFXLFIQJS-UHFFFAOYSA-N 1 2 240.266 1.853 20 30 BDEDLO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCOC1 ZINC000335829730 344030373 /nfs/dbraw/zinc/03/03/73/344030373.db2.gz RTDZGBLWWHOUPQ-LLVKDONJSA-N 1 2 234.274 1.918 20 30 BDEDLO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCOC1 ZINC000335829730 344030376 /nfs/dbraw/zinc/03/03/76/344030376.db2.gz RTDZGBLWWHOUPQ-LLVKDONJSA-N 1 2 234.274 1.918 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCS[C@@H](C)CC1 ZINC000379458023 343522803 /nfs/dbraw/zinc/52/28/03/343522803.db2.gz SDVXGFMPUCHJOJ-VHSXEESVSA-N 1 2 229.345 1.541 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCS[C@@H](C)CC1 ZINC000379458023 343522805 /nfs/dbraw/zinc/52/28/05/343522805.db2.gz SDVXGFMPUCHJOJ-VHSXEESVSA-N 1 2 229.345 1.541 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1=CCCCC1 ZINC000577038788 365782695 /nfs/dbraw/zinc/78/26/95/365782695.db2.gz CVHVDRHFIMDYKO-AWEZNQCLSA-N 1 2 249.358 1.837 20 30 BDEDLO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nn1 ZINC000602981873 349832473 /nfs/dbraw/zinc/83/24/73/349832473.db2.gz KPIQHZBMTVABQV-CMPLNLGQSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nn1 ZINC000602981873 349832477 /nfs/dbraw/zinc/83/24/77/349832477.db2.gz KPIQHZBMTVABQV-CMPLNLGQSA-N 1 2 246.314 1.609 20 30 BDEDLO N#CC1(C(=O)NCCCCn2cc[nH+]c2)CCC1 ZINC000083798448 343674799 /nfs/dbraw/zinc/67/47/99/343674799.db2.gz DDDXEBSZSCPSGR-UHFFFAOYSA-N 1 2 246.314 1.473 20 30 BDEDLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602977022 349842393 /nfs/dbraw/zinc/84/23/93/349842393.db2.gz WRMFSWASIWHJRQ-QWRGUYRKSA-N 1 2 237.347 1.525 20 30 BDEDLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602977022 349842395 /nfs/dbraw/zinc/84/23/95/349842395.db2.gz WRMFSWASIWHJRQ-QWRGUYRKSA-N 1 2 237.347 1.525 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000048042105 343704415 /nfs/dbraw/zinc/70/44/15/343704415.db2.gz MQOBIPZQODMJJO-UHFFFAOYSA-N 1 2 225.336 1.252 20 30 BDEDLO CCN(C)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976913 349841298 /nfs/dbraw/zinc/84/12/98/349841298.db2.gz VHVLVRNBBHSIQP-MNOVXSKESA-N 1 2 223.320 1.089 20 30 BDEDLO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976913 349841301 /nfs/dbraw/zinc/84/13/01/349841301.db2.gz VHVLVRNBBHSIQP-MNOVXSKESA-N 1 2 223.320 1.089 20 30 BDEDLO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602977141 349842173 /nfs/dbraw/zinc/84/21/73/349842173.db2.gz YLJNLVNCFRSUAK-NWDGAFQWSA-N 1 2 235.331 1.137 20 30 BDEDLO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602977141 349842176 /nfs/dbraw/zinc/84/21/76/349842176.db2.gz YLJNLVNCFRSUAK-NWDGAFQWSA-N 1 2 235.331 1.137 20 30 BDEDLO Cn1nccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980328 349845345 /nfs/dbraw/zinc/84/53/45/349845345.db2.gz OUFOFMBHGLQGRB-ZYHUDNBSSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1nccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980328 349845347 /nfs/dbraw/zinc/84/53/47/349845347.db2.gz OUFOFMBHGLQGRB-ZYHUDNBSSA-N 1 2 218.304 1.544 20 30 BDEDLO CN(Cc1cn(C)c[nH+]1)[C@@H]1CCC[C@@H]1C#N ZINC000602980697 349846055 /nfs/dbraw/zinc/84/60/55/349846055.db2.gz UEDWTGHYFKQKQF-ZYHUDNBSSA-N 1 2 218.304 1.544 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1 ZINC000037908757 343749541 /nfs/dbraw/zinc/74/95/41/343749541.db2.gz KKQLAZYZKQBDQD-NSHDSACASA-N 1 2 231.299 1.195 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCC[C@H]1CC)C(=O)OC ZINC000309139548 346970737 /nfs/dbraw/zinc/97/07/37/346970737.db2.gz GVXAVBOGXYGTGE-VWYCJHECSA-N 1 2 211.305 1.882 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000334645432 343896484 /nfs/dbraw/zinc/89/64/84/343896484.db2.gz PQZNCXFXLWVHCJ-CYBMUJFWSA-N 1 2 234.274 1.729 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000334645432 343896486 /nfs/dbraw/zinc/89/64/86/343896486.db2.gz PQZNCXFXLWVHCJ-CYBMUJFWSA-N 1 2 234.274 1.729 20 30 BDEDLO C[C@H](CC#N)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000596781015 537832428 /nfs/dbraw/zinc/83/24/28/537832428.db2.gz OUOONIFGIQCGCD-SNVBAGLBSA-N 1 2 246.314 1.314 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)[nH+]cc1C ZINC000577191256 343912881 /nfs/dbraw/zinc/91/28/81/343912881.db2.gz GEDWWJFUNMMBCX-STQMWFEESA-N 1 2 247.342 1.908 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)[nH+]cc1C ZINC000577191255 343912886 /nfs/dbraw/zinc/91/28/86/343912886.db2.gz GEDWWJFUNMMBCX-QWHCGFSZSA-N 1 2 247.342 1.908 20 30 BDEDLO Cc1nnc(C[NH+]2CCC(C#N)CC2)n1C1CC1 ZINC000408099860 344050255 /nfs/dbraw/zinc/05/02/55/344050255.db2.gz OAAZGHFXPICXHI-UHFFFAOYSA-N 1 2 245.330 1.657 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000335915464 344085640 /nfs/dbraw/zinc/08/56/40/344085640.db2.gz DRKVXAKMPRFDEP-ZDUSSCGKSA-N 1 2 234.274 1.465 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000335915464 344085643 /nfs/dbraw/zinc/08/56/43/344085643.db2.gz DRKVXAKMPRFDEP-ZDUSSCGKSA-N 1 2 234.274 1.465 20 30 BDEDLO COCC[N@@H+](CCC#N)CCOCC(C)C ZINC000234658836 344174669 /nfs/dbraw/zinc/17/46/69/344174669.db2.gz IQIYDJNZMQUMGK-UHFFFAOYSA-N 1 2 228.336 1.521 20 30 BDEDLO COCC[N@H+](CCC#N)CCOCC(C)C ZINC000234658836 344174671 /nfs/dbraw/zinc/17/46/71/344174671.db2.gz IQIYDJNZMQUMGK-UHFFFAOYSA-N 1 2 228.336 1.521 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)[C@@H]1CCC[C@H]1C#N ZINC000600860392 344383811 /nfs/dbraw/zinc/38/38/11/344383811.db2.gz VUOOOTSEHGQIQB-GXSJLCMTSA-N 1 2 204.277 1.534 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)[C@@H]1CCC[C@H]1C#N ZINC000600860392 344383812 /nfs/dbraw/zinc/38/38/12/344383812.db2.gz VUOOOTSEHGQIQB-GXSJLCMTSA-N 1 2 204.277 1.534 20 30 BDEDLO C=C[C@H]([NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000381451332 344507549 /nfs/dbraw/zinc/50/75/49/344507549.db2.gz HKMIFMKBGDVMRQ-JTQLQIEISA-N 1 2 224.304 1.634 20 30 BDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068766019 344493530 /nfs/dbraw/zinc/49/35/30/344493530.db2.gz VXOAMOFFVZAAHH-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000068766019 344493531 /nfs/dbraw/zinc/49/35/31/344493531.db2.gz VXOAMOFFVZAAHH-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO N#CC[N@@H+](CC[C@@H]1CCNC1=O)C1CCCC1 ZINC000395842536 344565247 /nfs/dbraw/zinc/56/52/47/344565247.db2.gz IQLNVSLCAZVZLV-NSHDSACASA-N 1 2 235.331 1.281 20 30 BDEDLO N#CC[N@H+](CC[C@@H]1CCNC1=O)C1CCCC1 ZINC000395842536 344565248 /nfs/dbraw/zinc/56/52/48/344565248.db2.gz IQLNVSLCAZVZLV-NSHDSACASA-N 1 2 235.331 1.281 20 30 BDEDLO C=CCn1c(C)nnc1SCc1cn(C)c[nH+]1 ZINC000641425903 362412921 /nfs/dbraw/zinc/41/29/21/362412921.db2.gz JPRYPVDGLRWKLE-UHFFFAOYSA-N 1 2 249.343 1.798 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000119926972 344684930 /nfs/dbraw/zinc/68/49/30/344684930.db2.gz KUOWQNACJIJUNK-JTQLQIEISA-N 1 2 249.339 1.569 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000119926972 344684932 /nfs/dbraw/zinc/68/49/32/344684932.db2.gz KUOWQNACJIJUNK-JTQLQIEISA-N 1 2 249.339 1.569 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(Cl)c(C#N)n1 ZINC000487811174 530026285 /nfs/dbraw/zinc/02/62/85/530026285.db2.gz JSEILYQGUQAYGK-UHFFFAOYSA-N 1 2 247.689 1.966 20 30 BDEDLO CSCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000181882083 347076678 /nfs/dbraw/zinc/07/66/78/347076678.db2.gz IITJULJLYSCOOS-UHFFFAOYSA-N 1 2 246.282 1.965 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@@H]1CCCCO1)C(=O)OC ZINC000301052412 344842813 /nfs/dbraw/zinc/84/28/13/344842813.db2.gz WCNNVLMDIKRNNZ-QWRGUYRKSA-N 1 2 227.304 1.263 20 30 BDEDLO Cc1cc(NCC2(CC#N)CC2)c(C#N)c[nH+]1 ZINC000425253083 192084925 /nfs/dbraw/zinc/08/49/25/192084925.db2.gz CDMRMAZCCQSNSQ-UHFFFAOYSA-N 1 2 226.283 1.789 20 30 BDEDLO Cc1cc(NC[C@@H]2CCOC[C@H]2C)c(C#N)c[nH+]1 ZINC000425252804 192085409 /nfs/dbraw/zinc/08/54/09/192085409.db2.gz JJPUBTGMYSCWBN-PWSUYJOCSA-N 1 2 245.326 1.768 20 30 BDEDLO Cc1cc(NCC2(CO)CCC2)c(C#N)c[nH+]1 ZINC000425242799 192085484 /nfs/dbraw/zinc/08/54/84/192085484.db2.gz DDCOGEIVWHLKPP-UHFFFAOYSA-N 1 2 231.299 1.258 20 30 BDEDLO C[N@@H+]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000135482678 345442960 /nfs/dbraw/zinc/44/29/60/345442960.db2.gz ISYUKMJAFIHMDE-SNVBAGLBSA-N 1 2 219.288 1.335 20 30 BDEDLO C[N@H+]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000135482678 345442962 /nfs/dbraw/zinc/44/29/62/345442962.db2.gz ISYUKMJAFIHMDE-SNVBAGLBSA-N 1 2 219.288 1.335 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000378787164 345568628 /nfs/dbraw/zinc/56/86/28/345568628.db2.gz KNUMYESTRCLRSZ-VXGBXAGGSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000378787164 345568631 /nfs/dbraw/zinc/56/86/31/345568631.db2.gz KNUMYESTRCLRSZ-VXGBXAGGSA-N 1 2 241.331 1.461 20 30 BDEDLO CC#CCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635780057 346055724 /nfs/dbraw/zinc/05/57/24/346055724.db2.gz WLERJBLPRBXCMB-UHFFFAOYSA-N 1 2 241.294 1.786 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](CO)(CCC)C1 ZINC000588985348 346276933 /nfs/dbraw/zinc/27/69/33/346276933.db2.gz MZNOFSPGJGEPKF-WCQYABFASA-N 1 2 241.331 1.199 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](CO)(CCC)C1 ZINC000588985348 346276935 /nfs/dbraw/zinc/27/69/35/346276935.db2.gz MZNOFSPGJGEPKF-WCQYABFASA-N 1 2 241.331 1.199 20 30 BDEDLO Cc1cc(C[NH2+]Cc2ccn[nH]2)ccc1C#N ZINC000574980033 346484543 /nfs/dbraw/zinc/48/45/43/346484543.db2.gz DJYRNNWLVJMVKO-UHFFFAOYSA-N 1 2 226.283 1.880 20 30 BDEDLO C=C[C@H]([NH2+][C@H](C)C1CCCC1)C(=O)OC ZINC000300767696 346502614 /nfs/dbraw/zinc/50/26/14/346502614.db2.gz ADZGHJFZVIKJPP-KOLCDFICSA-N 1 2 211.305 1.882 20 30 BDEDLO C=C[C@H]([NH2+]CCCC(C)(C)COC)C(=O)OC ZINC000588312964 346661343 /nfs/dbraw/zinc/66/13/43/346661343.db2.gz MFHDCLCBIQQHJW-NSHDSACASA-N 1 2 243.347 1.756 20 30 BDEDLO C[C@H]1COCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589502459 346708452 /nfs/dbraw/zinc/70/84/52/346708452.db2.gz UOGVCYBIRMPCAI-VIFPVBQESA-N 1 2 237.328 1.626 20 30 BDEDLO C[C@H]1COCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000589502459 346708454 /nfs/dbraw/zinc/70/84/54/346708454.db2.gz UOGVCYBIRMPCAI-VIFPVBQESA-N 1 2 237.328 1.626 20 30 BDEDLO COC[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589501910 346708619 /nfs/dbraw/zinc/70/86/19/346708619.db2.gz ZCISORCZQBHUTP-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO COC[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000589501910 346708621 /nfs/dbraw/zinc/70/86/21/346708621.db2.gz ZCISORCZQBHUTP-SNVBAGLBSA-N 1 2 237.328 1.626 20 30 BDEDLO Cn1cnc2c1CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000590158180 346782820 /nfs/dbraw/zinc/78/28/20/346782820.db2.gz FMZXSOKHNXAAPD-QWRGUYRKSA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1cnc2c1CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000590158180 346782823 /nfs/dbraw/zinc/78/28/23/346782823.db2.gz FMZXSOKHNXAAPD-QWRGUYRKSA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1c[nH+]c2c1CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000590158180 346782827 /nfs/dbraw/zinc/78/28/27/346782827.db2.gz FMZXSOKHNXAAPD-QWRGUYRKSA-N 1 2 230.315 1.470 20 30 BDEDLO CC/C=C/CCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000184432494 347162142 /nfs/dbraw/zinc/16/21/42/347162142.db2.gz MHJVUNUJROSYKJ-VOTSOKGWSA-N 1 2 241.335 1.546 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000390236322 347290207 /nfs/dbraw/zinc/29/02/07/347290207.db2.gz GCNPKDUWWZIRSJ-NXEZZACHSA-N 1 2 223.320 1.325 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000380829333 347376933 /nfs/dbraw/zinc/37/69/33/347376933.db2.gz OSYDZDFXDXQSKR-QMMMGPOBSA-N 1 2 228.246 1.397 20 30 BDEDLO N#Cc1ccc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000590567504 347469807 /nfs/dbraw/zinc/46/98/07/347469807.db2.gz KQFRBAKGRKLDFL-UHFFFAOYSA-N 1 2 225.255 1.239 20 30 BDEDLO N#CC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000590777185 347539507 /nfs/dbraw/zinc/53/95/07/347539507.db2.gz SRCWOGWDWHDUDQ-LBPRGKRZSA-N 1 2 208.305 1.383 20 30 BDEDLO N#CC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000590777184 347539740 /nfs/dbraw/zinc/53/97/40/347539740.db2.gz SRCWOGWDWHDUDQ-GFCCVEGCSA-N 1 2 208.305 1.383 20 30 BDEDLO C=CCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364952839 347604752 /nfs/dbraw/zinc/60/47/52/347604752.db2.gz JWHRBWJNKYYWNC-LLVKDONJSA-N 1 2 233.315 1.480 20 30 BDEDLO C=CCN(CC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364952845 347604821 /nfs/dbraw/zinc/60/48/21/347604821.db2.gz JWHRBWJNKYYWNC-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000590972195 347598452 /nfs/dbraw/zinc/59/84/52/347598452.db2.gz UGVPVWFRQHRMPI-KOLCDFICSA-N 1 2 249.339 1.626 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000590972195 347598456 /nfs/dbraw/zinc/59/84/56/347598456.db2.gz UGVPVWFRQHRMPI-KOLCDFICSA-N 1 2 249.339 1.626 20 30 BDEDLO C[C@H](O)CC[N@H+](C)Cc1ccncc1C#N ZINC000592073013 347729261 /nfs/dbraw/zinc/72/92/61/347729261.db2.gz UKXOWHXGXQTYRI-JTQLQIEISA-N 1 2 219.288 1.156 20 30 BDEDLO C[C@H](O)CC[N@@H+](C)Cc1ccncc1C#N ZINC000592073013 347729264 /nfs/dbraw/zinc/72/92/64/347729264.db2.gz UKXOWHXGXQTYRI-JTQLQIEISA-N 1 2 219.288 1.156 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccncc2C#N)CCCO1 ZINC000592120519 347736937 /nfs/dbraw/zinc/73/69/37/347736937.db2.gz FDIZEUCSZYUNOT-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccncc2C#N)CCCO1 ZINC000592120519 347736941 /nfs/dbraw/zinc/73/69/41/347736941.db2.gz FDIZEUCSZYUNOT-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150432 347741434 /nfs/dbraw/zinc/74/14/34/347741434.db2.gz CLKDTPSBMJUFBQ-PWSUYJOCSA-N 1 2 235.287 1.395 20 30 BDEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150432 347741435 /nfs/dbraw/zinc/74/14/35/347741435.db2.gz CLKDTPSBMJUFBQ-PWSUYJOCSA-N 1 2 235.287 1.395 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000592151932 347743305 /nfs/dbraw/zinc/74/33/05/347743305.db2.gz RWZYOMIPJSIDCS-ZDUSSCGKSA-N 1 2 247.298 1.402 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000592151932 347743309 /nfs/dbraw/zinc/74/33/09/347743309.db2.gz RWZYOMIPJSIDCS-ZDUSSCGKSA-N 1 2 247.298 1.402 20 30 BDEDLO COc1ncncc1C[NH2+]CC1(C#N)CCC1 ZINC000592516212 347793121 /nfs/dbraw/zinc/79/31/21/347793121.db2.gz KHIQYBASLYTJOQ-UHFFFAOYSA-N 1 2 232.287 1.269 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000593087033 347851346 /nfs/dbraw/zinc/85/13/46/347851346.db2.gz KVTHDXLHSZYBHI-QJPTWQEYSA-N 1 2 239.315 1.051 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000593087033 347851348 /nfs/dbraw/zinc/85/13/48/347851348.db2.gz KVTHDXLHSZYBHI-QJPTWQEYSA-N 1 2 239.315 1.051 20 30 BDEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)C2(CCC2)CO1 ZINC000593092038 347853831 /nfs/dbraw/zinc/85/38/31/347853831.db2.gz MCUJXVVILPNPIX-NSHDSACASA-N 1 2 220.316 1.934 20 30 BDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)C2(CCC2)CO1 ZINC000593092038 347853832 /nfs/dbraw/zinc/85/38/32/347853832.db2.gz MCUJXVVILPNPIX-NSHDSACASA-N 1 2 220.316 1.934 20 30 BDEDLO C=C[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000593183144 347869115 /nfs/dbraw/zinc/86/91/15/347869115.db2.gz PFADAIOFJRIRAK-SNVBAGLBSA-N 1 2 209.289 1.636 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000593441993 347891611 /nfs/dbraw/zinc/89/16/11/347891611.db2.gz MPFVPJUZZQADJE-SNVBAGLBSA-N 1 2 246.314 1.665 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000593452579 347898594 /nfs/dbraw/zinc/89/85/94/347898594.db2.gz WMOLHDBZMRMGLV-RYUDHWBXSA-N 1 2 246.314 1.596 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000593616192 347916098 /nfs/dbraw/zinc/91/60/98/347916098.db2.gz XILDDZBYFWEBIA-LLVKDONJSA-N 1 2 241.298 1.517 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)CCCCC#N ZINC000594039278 347994024 /nfs/dbraw/zinc/99/40/24/347994024.db2.gz WKNPYRRERFVWAA-UHFFFAOYSA-N 1 2 247.298 1.790 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCC#N ZINC000594235648 348021756 /nfs/dbraw/zinc/02/17/56/348021756.db2.gz YLVOPDCSYODHHF-NSHDSACASA-N 1 2 234.303 1.472 20 30 BDEDLO COCCC1C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000594718500 348107003 /nfs/dbraw/zinc/10/70/03/348107003.db2.gz RBBAZLFUFWRQSZ-NSHDSACASA-N 1 2 221.304 1.398 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C(=O)OC ZINC000594725410 348108581 /nfs/dbraw/zinc/10/85/81/348108581.db2.gz KIPXTUBGSPOWMR-PSASIEDQSA-N 1 2 233.258 1.739 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nccn1C ZINC000594995523 348167811 /nfs/dbraw/zinc/16/78/11/348167811.db2.gz NEZQMTLMLSWBJF-VIFPVBQESA-N 1 2 230.271 1.736 20 30 BDEDLO CCN1CC[C@H]([N@H+](CC)C[C@H](C)C#N)C1=O ZINC000595298021 348217120 /nfs/dbraw/zinc/21/71/20/348217120.db2.gz MZSDSJIAKGWNOE-MNOVXSKESA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[C@H]([N@@H+](CC)C[C@H](C)C#N)C1=O ZINC000595298021 348217124 /nfs/dbraw/zinc/21/71/24/348217124.db2.gz MZSDSJIAKGWNOE-MNOVXSKESA-N 1 2 223.320 1.089 20 30 BDEDLO Cn1c[nH+]c(CN2CCC[C@@](C)(C#N)C2)c1 ZINC000595422989 348245497 /nfs/dbraw/zinc/24/54/97/348245497.db2.gz CUSFPTGQVILJLT-LBPRGKRZSA-N 1 2 218.304 1.546 20 30 BDEDLO CCN1CC[C@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595422549 348245543 /nfs/dbraw/zinc/24/55/43/348245543.db2.gz APFDAKOIGRWEGU-WCQYABFASA-N 1 2 235.331 1.233 20 30 BDEDLO CCN1CC[C@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000595422549 348245544 /nfs/dbraw/zinc/24/55/44/348245544.db2.gz APFDAKOIGRWEGU-WCQYABFASA-N 1 2 235.331 1.233 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCn3cncc3C2)C1 ZINC000595488005 348261358 /nfs/dbraw/zinc/26/13/58/348261358.db2.gz AVWGQQGXTDZSLR-MNOVXSKESA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCn3cncc3C2)C1 ZINC000595488005 348261360 /nfs/dbraw/zinc/26/13/60/348261360.db2.gz AVWGQQGXTDZSLR-MNOVXSKESA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@@H]1CC[C@H](N2CCn3c[nH+]cc3C2)C1 ZINC000595488005 348261362 /nfs/dbraw/zinc/26/13/62/348261362.db2.gz AVWGQQGXTDZSLR-MNOVXSKESA-N 1 2 216.288 1.391 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)nc(C)n1 ZINC000595531824 348274120 /nfs/dbraw/zinc/27/41/20/348274120.db2.gz XZDAQPAHJMIOJE-LLVKDONJSA-N 1 2 218.304 1.875 20 30 BDEDLO CCCNC(=O)CCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595709820 348321527 /nfs/dbraw/zinc/32/15/27/348321527.db2.gz JNPGWFBQJVRMKY-NSHDSACASA-N 1 2 237.347 1.669 20 30 BDEDLO CCCNC(=O)CCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595709820 348321529 /nfs/dbraw/zinc/32/15/29/348321529.db2.gz JNPGWFBQJVRMKY-NSHDSACASA-N 1 2 237.347 1.669 20 30 BDEDLO C[C@H](C#N)N(Cc1cn(C)c[nH+]1)C1CC1 ZINC000595710051 348322080 /nfs/dbraw/zinc/32/20/80/348322080.db2.gz MSEVJENHQKKBBY-SECBINFHSA-N 1 2 204.277 1.297 20 30 BDEDLO C[C@@H](C#N)[N@H+](CC[C@@H]1CCCO1)C1CC1 ZINC000595710367 348322493 /nfs/dbraw/zinc/32/24/93/348322493.db2.gz RADQJQHMQRYIFW-JQWIXIFHSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CC[C@@H]1CCCO1)C1CC1 ZINC000595710367 348322496 /nfs/dbraw/zinc/32/24/96/348322496.db2.gz RADQJQHMQRYIFW-JQWIXIFHSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@H](C#N)N(CCn1cc[nH+]c1)C1CC1 ZINC000595712816 348324567 /nfs/dbraw/zinc/32/45/67/348324567.db2.gz PZMHGAYPURFDOU-SNVBAGLBSA-N 1 2 204.277 1.260 20 30 BDEDLO COC(=O)[C@@](C)(CCF)[NH2+]CCCC#N ZINC000595770725 348336782 /nfs/dbraw/zinc/33/67/82/348336782.db2.gz UDKYXLVGZJYKJB-SNVBAGLBSA-N 1 2 216.256 1.171 20 30 BDEDLO CC[N@H+](C[C@H]1CCNC(=O)CC1)[C@@H](C)C#N ZINC000595816106 348343488 /nfs/dbraw/zinc/34/34/88/348343488.db2.gz DSSKGUIGXFOKMZ-WDEREUQCSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H](C)C#N ZINC000595816106 348343490 /nfs/dbraw/zinc/34/34/90/348343490.db2.gz DSSKGUIGXFOKMZ-WDEREUQCSA-N 1 2 223.320 1.137 20 30 BDEDLO N#CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595787727 348346056 /nfs/dbraw/zinc/34/60/56/348346056.db2.gz HHVCZDPACBUMPC-NWDGAFQWSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595787727 348346059 /nfs/dbraw/zinc/34/60/59/348346059.db2.gz HHVCZDPACBUMPC-NWDGAFQWSA-N 1 2 208.305 1.791 20 30 BDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836183 348369944 /nfs/dbraw/zinc/36/99/44/348369944.db2.gz XFJSRXLBFQHNKD-BXUZGUMPSA-N 1 2 249.358 1.669 20 30 BDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836183 348369945 /nfs/dbraw/zinc/36/99/45/348369945.db2.gz XFJSRXLBFQHNKD-BXUZGUMPSA-N 1 2 249.358 1.669 20 30 BDEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836016 348369954 /nfs/dbraw/zinc/36/99/54/348369954.db2.gz USHVBEKFUXJATE-JSGCOSHPSA-N 1 2 249.358 1.480 20 30 BDEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836016 348369956 /nfs/dbraw/zinc/36/99/56/348369956.db2.gz USHVBEKFUXJATE-JSGCOSHPSA-N 1 2 249.358 1.480 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccnc2)C1 ZINC000595838661 348371894 /nfs/dbraw/zinc/37/18/94/348371894.db2.gz CNUOABNHCBLLFX-LBPRGKRZSA-N 1 2 201.273 1.817 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccnc2)C1 ZINC000595838661 348371896 /nfs/dbraw/zinc/37/18/96/348371896.db2.gz CNUOABNHCBLLFX-LBPRGKRZSA-N 1 2 201.273 1.817 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ncn1 ZINC000595840589 348374483 /nfs/dbraw/zinc/37/44/83/348374483.db2.gz CCANMUAMOKFGMR-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ncn1 ZINC000595840589 348374485 /nfs/dbraw/zinc/37/44/85/348374485.db2.gz CCANMUAMOKFGMR-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840993 348375348 /nfs/dbraw/zinc/37/53/48/348375348.db2.gz SQWYUGYVMLSIRQ-YPMHNXCESA-N 1 2 238.331 1.954 20 30 BDEDLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840993 348375350 /nfs/dbraw/zinc/37/53/50/348375350.db2.gz SQWYUGYVMLSIRQ-YPMHNXCESA-N 1 2 238.331 1.954 20 30 BDEDLO Cc1cccc(CCNc2c(C#N)cnn2C)[nH+]1 ZINC000596224668 348470708 /nfs/dbraw/zinc/47/07/08/348470708.db2.gz YLLFQTMETSOBFY-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)c2[nH+]ccn21 ZINC000596257327 348476461 /nfs/dbraw/zinc/47/64/61/348476461.db2.gz MTQDMEJEQCFDHQ-PSASIEDQSA-N 1 2 240.270 1.085 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2cc(C#N)cnn2)c2[nH+]ccn21 ZINC000596257133 348476787 /nfs/dbraw/zinc/47/67/87/348476787.db2.gz MAONVTMDGCJKHN-PSASIEDQSA-N 1 2 240.270 1.085 20 30 BDEDLO C=CCCSCCNc1cc(C)[nH+]cn1 ZINC000596413741 348538692 /nfs/dbraw/zinc/53/86/92/348538692.db2.gz UVDFMDJMBGADDG-UHFFFAOYSA-N 1 2 223.345 1.928 20 30 BDEDLO Cc1nc(N[C@H](C)c2[nH+]ccn2C)ccc1C#N ZINC000596542624 348583587 /nfs/dbraw/zinc/58/35/87/348583587.db2.gz MXKPYVAJKZQSEW-SNVBAGLBSA-N 1 2 241.298 1.590 20 30 BDEDLO C[C@H](NC(=O)NCC1(C#N)CC1)c1[nH+]ccn1C ZINC000596587223 348592689 /nfs/dbraw/zinc/59/26/89/348592689.db2.gz QPMNBFFGYXLNND-VIFPVBQESA-N 1 2 247.302 1.084 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000597081686 348658535 /nfs/dbraw/zinc/65/85/35/348658535.db2.gz CTERPRXVVBIQIM-SECBINFHSA-N 1 2 218.304 1.547 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000597082450 348658554 /nfs/dbraw/zinc/65/85/54/348658554.db2.gz KDQFUPWRGGBKMS-SNVBAGLBSA-N 1 2 232.331 1.937 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn2c1CCC2 ZINC000597082454 348658813 /nfs/dbraw/zinc/65/88/13/348658813.db2.gz KGPVIWPMBXAWPS-VIFPVBQESA-N 1 2 204.277 1.079 20 30 BDEDLO CN(C)c1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000597193953 348671406 /nfs/dbraw/zinc/67/14/06/348671406.db2.gz LMAUMYBYWYSXIY-UHFFFAOYSA-N 1 2 236.344 1.555 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000597114908 348662502 /nfs/dbraw/zinc/66/25/02/348662502.db2.gz DMMPWABEDLAYAG-JTQLQIEISA-N 1 2 245.282 1.221 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000597115504 348663098 /nfs/dbraw/zinc/66/30/98/348663098.db2.gz KLQNTAZFKUFMQA-GHMZBOCLSA-N 1 2 246.314 1.665 20 30 BDEDLO Cc1ncc(C[NH2+]CC2(C#N)CC2)n1C ZINC000597120768 348663557 /nfs/dbraw/zinc/66/35/57/348663557.db2.gz JXUYQQPTEPLGHX-UHFFFAOYSA-N 1 2 204.277 1.122 20 30 BDEDLO C[C@H](CC#N)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000597359443 348722609 /nfs/dbraw/zinc/72/26/09/348722609.db2.gz BKKUQQSEUNBELN-SNVBAGLBSA-N 1 2 246.314 1.660 20 30 BDEDLO C[C@@H](CC#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000597390403 348733272 /nfs/dbraw/zinc/73/32/72/348733272.db2.gz QDUQZOXVBQLKRK-JTQLQIEISA-N 1 2 242.282 1.500 20 30 BDEDLO CCn1c[nH+]cc1CN1CC(CC#N)C1 ZINC000597203577 348677066 /nfs/dbraw/zinc/67/70/66/348677066.db2.gz LHJJEYYZHPEPFE-UHFFFAOYSA-N 1 2 204.277 1.248 20 30 BDEDLO CCn1cncc1C[NH+]1CC(CC#N)C1 ZINC000597203577 348677070 /nfs/dbraw/zinc/67/70/70/348677070.db2.gz LHJJEYYZHPEPFE-UHFFFAOYSA-N 1 2 204.277 1.248 20 30 BDEDLO CC(C)Cn1nccc1C[NH+]1CC(CC#N)C1 ZINC000597203538 348677250 /nfs/dbraw/zinc/67/72/50/348677250.db2.gz KCVSROCRFICCHP-UHFFFAOYSA-N 1 2 232.331 1.885 20 30 BDEDLO CC(C)n1nccc1C[NH+]1CC(CC#N)C1 ZINC000597204464 348678484 /nfs/dbraw/zinc/67/84/84/348678484.db2.gz WKWQQYHZBRYQHB-UHFFFAOYSA-N 1 2 218.304 1.809 20 30 BDEDLO CN(C)c1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597228198 348696941 /nfs/dbraw/zinc/69/69/41/348696941.db2.gz BILYXXQTOPJTOM-CYBMUJFWSA-N 1 2 245.330 1.278 20 30 BDEDLO CN(C)c1ncc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597228198 348696943 /nfs/dbraw/zinc/69/69/43/348696943.db2.gz BILYXXQTOPJTOM-CYBMUJFWSA-N 1 2 245.330 1.278 20 30 BDEDLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)C#N ZINC000598350660 348936819 /nfs/dbraw/zinc/93/68/19/348936819.db2.gz RSQJWMIKDBMLFD-ZJUUUORDSA-N 1 2 234.303 1.349 20 30 BDEDLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)C#N ZINC000598350660 348936823 /nfs/dbraw/zinc/93/68/23/348936823.db2.gz RSQJWMIKDBMLFD-ZJUUUORDSA-N 1 2 234.303 1.349 20 30 BDEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H](C)C#N ZINC000598362018 348947861 /nfs/dbraw/zinc/94/78/61/348947861.db2.gz VGFCVHYROPKDGI-SECBINFHSA-N 1 2 220.276 1.103 20 30 BDEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H](C)C#N ZINC000598362018 348947863 /nfs/dbraw/zinc/94/78/63/348947863.db2.gz VGFCVHYROPKDGI-SECBINFHSA-N 1 2 220.276 1.103 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000054181510 348896310 /nfs/dbraw/zinc/89/63/10/348896310.db2.gz VFSIDTJDRGEWPG-ZETCQYMHSA-N 1 2 225.273 1.906 20 30 BDEDLO Cc1cn2ccc(NC(=O)[C@H](C)C#N)cc2[nH+]1 ZINC000598470283 348980487 /nfs/dbraw/zinc/98/04/87/348980487.db2.gz VZZOLBLAMVELIP-MRVPVSSYSA-N 1 2 228.255 1.741 20 30 BDEDLO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000598895100 349059672 /nfs/dbraw/zinc/05/96/72/349059672.db2.gz SBTUCZKGLDZZOS-UWVGGRQHSA-N 1 2 211.309 1.183 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1C#N ZINC000599281593 349139705 /nfs/dbraw/zinc/13/97/05/349139705.db2.gz KKSAUPFVNITDNF-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1C#N ZINC000599281593 349139707 /nfs/dbraw/zinc/13/97/07/349139707.db2.gz KKSAUPFVNITDNF-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO C[N@H+](CC(=O)NCC(C)(C)C)CC(C)(C)C#N ZINC000599426261 349185181 /nfs/dbraw/zinc/18/51/81/349185181.db2.gz AEZYJVWTNWWMMS-UHFFFAOYSA-N 1 2 239.363 1.630 20 30 BDEDLO C[N@@H+](CC(=O)NCC(C)(C)C)CC(C)(C)C#N ZINC000599426261 349185185 /nfs/dbraw/zinc/18/51/85/349185185.db2.gz AEZYJVWTNWWMMS-UHFFFAOYSA-N 1 2 239.363 1.630 20 30 BDEDLO CCO[C@H](C[NH+]1CC(C)(C#N)C1)C1CC1 ZINC000599394668 349171293 /nfs/dbraw/zinc/17/12/93/349171293.db2.gz ZUIXZEVZRMTNGF-LLVKDONJSA-N 1 2 208.305 1.647 20 30 BDEDLO COC(=O)CCCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000599469386 349193546 /nfs/dbraw/zinc/19/35/46/349193546.db2.gz DWTQYJIFWYYDSX-JTQLQIEISA-N 1 2 224.304 1.706 20 30 BDEDLO COC(=O)CCCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000599469386 349193548 /nfs/dbraw/zinc/19/35/48/349193548.db2.gz DWTQYJIFWYYDSX-JTQLQIEISA-N 1 2 224.304 1.706 20 30 BDEDLO N#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000602079892 349430009 /nfs/dbraw/zinc/43/00/09/349430009.db2.gz IMHHWHISUPOTOD-NXEZZACHSA-N 1 2 230.271 1.028 20 30 BDEDLO N#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000602079892 349430011 /nfs/dbraw/zinc/43/00/11/349430011.db2.gz IMHHWHISUPOTOD-NXEZZACHSA-N 1 2 230.271 1.028 20 30 BDEDLO CC(C)C[C@@H](C(=O)N(C)CCC#N)n1cc[nH+]c1 ZINC000602079753 349430365 /nfs/dbraw/zinc/43/03/65/349430365.db2.gz CNNTWDTYXTYPSA-LBPRGKRZSA-N 1 2 248.330 1.842 20 30 BDEDLO C=CCOCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884029 350048124 /nfs/dbraw/zinc/04/81/24/350048124.db2.gz OJEFPPKBABIOFU-UHFFFAOYSA-N 1 2 231.255 1.475 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220919248 350190551 /nfs/dbraw/zinc/19/05/51/350190551.db2.gz GRGADULEGRWLEF-BXUZGUMPSA-N 1 2 243.310 1.826 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220919248 350190554 /nfs/dbraw/zinc/19/05/54/350190554.db2.gz GRGADULEGRWLEF-BXUZGUMPSA-N 1 2 243.310 1.826 20 30 BDEDLO Cc1nc(NCCc2cccc(C#N)c2)cc[nH+]1 ZINC000359944755 180181639 /nfs/dbraw/zinc/18/16/39/180181639.db2.gz BHAXNLHGEOKQNS-UHFFFAOYSA-N 1 2 238.294 1.733 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1ccncc1 ZINC000304194377 350238462 /nfs/dbraw/zinc/23/84/62/350238462.db2.gz AMORJKMPPAMDBD-LBPRGKRZSA-N 1 2 234.299 1.284 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1ccncc1 ZINC000304194377 350238465 /nfs/dbraw/zinc/23/84/65/350238465.db2.gz AMORJKMPPAMDBD-LBPRGKRZSA-N 1 2 234.299 1.284 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccn(C)n1 ZINC000336689382 350445038 /nfs/dbraw/zinc/44/50/38/350445038.db2.gz CJCPMSCGOTYUKM-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccn(C)n1 ZINC000336689382 350445040 /nfs/dbraw/zinc/44/50/40/350445040.db2.gz CJCPMSCGOTYUKM-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C[C@H](C#N)C[N@H+](Cc1cnn(C)c1)C1CC1 ZINC000336710053 350462717 /nfs/dbraw/zinc/46/27/17/350462717.db2.gz YTWLHCQRVLFRDA-SNVBAGLBSA-N 1 2 218.304 1.544 20 30 BDEDLO C[C@H](C#N)C[N@@H+](Cc1cnn(C)c1)C1CC1 ZINC000336710053 350462719 /nfs/dbraw/zinc/46/27/19/350462719.db2.gz YTWLHCQRVLFRDA-SNVBAGLBSA-N 1 2 218.304 1.544 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427998270 191105688 /nfs/dbraw/zinc/10/56/88/191105688.db2.gz VDCYPUQUBVWDGF-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000337102616 350553768 /nfs/dbraw/zinc/55/37/68/350553768.db2.gz XGJKOVQDDKOQDL-NEPJUHHUSA-N 1 2 247.342 1.916 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000339755201 350818380 /nfs/dbraw/zinc/81/83/80/350818380.db2.gz CDNCZVITYQPMBT-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccsc1C(=O)OC ZINC000339755201 350818382 /nfs/dbraw/zinc/81/83/82/350818382.db2.gz CDNCZVITYQPMBT-UHFFFAOYSA-N 1 2 237.324 1.990 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000563323121 350818891 /nfs/dbraw/zinc/81/88/91/350818891.db2.gz DEBDFYIKSSKIIX-MNOVXSKESA-N 1 2 246.314 1.806 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000563323121 350818893 /nfs/dbraw/zinc/81/88/93/350818893.db2.gz DEBDFYIKSSKIIX-MNOVXSKESA-N 1 2 246.314 1.806 20 30 BDEDLO CC(C)([NH2+]CCC#N)C(=O)NCC1CCCC1 ZINC000411442274 350865822 /nfs/dbraw/zinc/86/58/22/350865822.db2.gz QLBJQRPJJOWBPT-UHFFFAOYSA-N 1 2 237.347 1.575 20 30 BDEDLO COc1cc(C[NH+]2CC(C)(OC)C2)ccc1C#N ZINC000382600505 350894004 /nfs/dbraw/zinc/89/40/04/350894004.db2.gz RECZNXQPXPHCLU-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@](C)(O)C(F)(F)F ZINC000336698799 351041766 /nfs/dbraw/zinc/04/17/66/351041766.db2.gz ORLTWKUXWPKMQM-SFYZADRCSA-N 1 2 224.226 1.391 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@](C)(O)C(F)(F)F ZINC000336698799 351041770 /nfs/dbraw/zinc/04/17/70/351041770.db2.gz ORLTWKUXWPKMQM-SFYZADRCSA-N 1 2 224.226 1.391 20 30 BDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906253 191132429 /nfs/dbraw/zinc/13/24/29/191132429.db2.gz MOCVRXJSMNRMOV-UHFFFAOYSA-N 1 2 224.304 1.564 20 30 BDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000060893707 191135151 /nfs/dbraw/zinc/13/51/51/191135151.db2.gz XZVWHVZACAIARR-SNVBAGLBSA-N 1 2 223.320 1.137 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H]1CC[C@@H](C)O1 ZINC000232001482 351507498 /nfs/dbraw/zinc/50/74/98/351507498.db2.gz UUJFBPNZQFBYPL-NEPJUHHUSA-N 1 2 226.320 1.416 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CC[C@@H](C)O1 ZINC000232001482 351507500 /nfs/dbraw/zinc/50/75/00/351507500.db2.gz UUJFBPNZQFBYPL-NEPJUHHUSA-N 1 2 226.320 1.416 20 30 BDEDLO COc1ccc(O)c(/C=[NH+]/CCC(C)(C)O)c1 ZINC000274843441 351584834 /nfs/dbraw/zinc/58/48/34/351584834.db2.gz QDEIPODTQJSMCN-NTEUORMPSA-N 1 2 237.299 1.981 20 30 BDEDLO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ncn(C)n1 ZINC000278810321 351785987 /nfs/dbraw/zinc/78/59/87/351785987.db2.gz RWZVXVAKJDSXJF-DCAQKATOSA-N 1 2 233.319 1.548 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCCC(=O)OCC ZINC000292362211 352316898 /nfs/dbraw/zinc/31/68/98/352316898.db2.gz YAIVEJOZKMHUON-UHFFFAOYSA-N 1 2 224.304 1.731 20 30 BDEDLO C=CC[N@H+](CCC#N)CCCC(=O)OCC ZINC000292362211 352316899 /nfs/dbraw/zinc/31/68/99/352316899.db2.gz YAIVEJOZKMHUON-UHFFFAOYSA-N 1 2 224.304 1.731 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCn1cc([N+](=O)[O-])cn1 ZINC000292384917 352318356 /nfs/dbraw/zinc/31/83/56/352318356.db2.gz ZJECQRVGDWTPQT-UHFFFAOYSA-N 1 2 249.274 1.193 20 30 BDEDLO C=CC[N@H+](CCC#N)CCn1cc([N+](=O)[O-])cn1 ZINC000292384917 352318359 /nfs/dbraw/zinc/31/83/59/352318359.db2.gz ZJECQRVGDWTPQT-UHFFFAOYSA-N 1 2 249.274 1.193 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOCCOC ZINC000292218030 352307770 /nfs/dbraw/zinc/30/77/70/352307770.db2.gz OVIUDDOWFRVGFK-UHFFFAOYSA-N 1 2 212.293 1.051 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOCCOC ZINC000292218030 352307773 /nfs/dbraw/zinc/30/77/73/352307773.db2.gz OVIUDDOWFRVGFK-UHFFFAOYSA-N 1 2 212.293 1.051 20 30 BDEDLO Cn1c[nH+]c(CN(CCC#N)CC2CC2)c1 ZINC000618904921 352340203 /nfs/dbraw/zinc/34/02/03/352340203.db2.gz IOBOUYGHAXFOJA-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO C[C@H](CCC#N)[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000411616906 191198361 /nfs/dbraw/zinc/19/83/61/191198361.db2.gz FWSGLNASJCVMON-GMTAPVOTSA-N 1 2 228.361 1.520 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000411548282 191192613 /nfs/dbraw/zinc/19/26/13/191192613.db2.gz DVQPZLMFZHTQAO-CMPLNLGQSA-N 1 2 236.315 1.359 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000411548282 191192616 /nfs/dbraw/zinc/19/26/16/191192616.db2.gz DVQPZLMFZHTQAO-CMPLNLGQSA-N 1 2 236.315 1.359 20 30 BDEDLO C=C(Br)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000307576159 352658950 /nfs/dbraw/zinc/65/89/50/352658950.db2.gz JWPXRSMZOGUXOO-MRVPVSSYSA-N 1 2 247.136 1.105 20 30 BDEDLO C=C(Br)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000307576159 352658952 /nfs/dbraw/zinc/65/89/52/352658952.db2.gz JWPXRSMZOGUXOO-MRVPVSSYSA-N 1 2 247.136 1.105 20 30 BDEDLO C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000329528666 538109164 /nfs/dbraw/zinc/10/91/64/538109164.db2.gz IEDVKWFCLTZLEF-LLVKDONJSA-N 1 2 223.276 1.478 20 30 BDEDLO C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000329528666 538109165 /nfs/dbraw/zinc/10/91/65/538109165.db2.gz IEDVKWFCLTZLEF-LLVKDONJSA-N 1 2 223.276 1.478 20 30 BDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000330851662 353194105 /nfs/dbraw/zinc/19/41/05/353194105.db2.gz QOVJTDAGGZRJBI-YPMHNXCESA-N 1 2 243.310 1.907 20 30 BDEDLO C=CCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000330887172 353191998 /nfs/dbraw/zinc/19/19/98/353191998.db2.gz GZEIYUDPDGEDDH-JTQLQIEISA-N 1 2 222.292 1.063 20 30 BDEDLO C=CCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000330887172 353192000 /nfs/dbraw/zinc/19/20/00/353192000.db2.gz GZEIYUDPDGEDDH-JTQLQIEISA-N 1 2 222.292 1.063 20 30 BDEDLO C=CCC[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000330887172 353192002 /nfs/dbraw/zinc/19/20/02/353192002.db2.gz GZEIYUDPDGEDDH-JTQLQIEISA-N 1 2 222.292 1.063 20 30 BDEDLO C=CCC[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000330887172 353192004 /nfs/dbraw/zinc/19/20/04/353192004.db2.gz GZEIYUDPDGEDDH-JTQLQIEISA-N 1 2 222.292 1.063 20 30 BDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000330851661 353193936 /nfs/dbraw/zinc/19/39/36/353193936.db2.gz QOVJTDAGGZRJBI-WCQYABFASA-N 1 2 243.310 1.907 20 30 BDEDLO C=C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331050510 353213750 /nfs/dbraw/zinc/21/37/50/353213750.db2.gz IDAASZNOHQTJSH-UHFFFAOYSA-N 1 2 236.275 1.480 20 30 BDEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCC#N)C1 ZINC000330905514 353198212 /nfs/dbraw/zinc/19/82/12/353198212.db2.gz AYNNUECWRAZWBE-GFCCVEGCSA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000330905514 353198215 /nfs/dbraw/zinc/19/82/15/353198215.db2.gz AYNNUECWRAZWBE-GFCCVEGCSA-N 1 2 238.331 1.954 20 30 BDEDLO O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C1CC1 ZINC000329949410 538110873 /nfs/dbraw/zinc/11/08/73/538110873.db2.gz ZZJDRAGRGWZGHD-JTQLQIEISA-N 1 2 223.276 1.070 20 30 BDEDLO O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C1CC1 ZINC000329949410 538110874 /nfs/dbraw/zinc/11/08/74/538110874.db2.gz ZZJDRAGRGWZGHD-JTQLQIEISA-N 1 2 223.276 1.070 20 30 BDEDLO CCN1CCN(CCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331014408 353212110 /nfs/dbraw/zinc/21/21/10/353212110.db2.gz XHYMGALJYCAPBV-LLVKDONJSA-N 1 2 233.319 1.002 20 30 BDEDLO 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C=C1CC[NH+](CC(=O)Nc2c(C)n[nH]c2C)CC1 ZINC000264564943 188259650 /nfs/dbraw/zinc/25/96/50/188259650.db2.gz SQBVPMBOKRSXPW-UHFFFAOYSA-N 1 2 248.330 1.617 20 30 BDEDLO C=C1CC[NH+](CC(=O)OCCCC)CC1 ZINC000264544103 188259729 /nfs/dbraw/zinc/25/97/29/188259729.db2.gz NKUUXQSUWBHHTB-UHFFFAOYSA-N 1 2 211.305 1.982 20 30 BDEDLO C=C1CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000264440333 188260209 /nfs/dbraw/zinc/26/02/09/188260209.db2.gz FOKLSLJALLPGQN-UHFFFAOYSA-N 1 2 206.293 1.276 20 30 BDEDLO Cc1cc(N2CC[C@@H]([C@H](C)O)C2)c(C#N)c[nH+]1 ZINC000398957864 353375263 /nfs/dbraw/zinc/37/52/63/353375263.db2.gz JTCFHBFLOWFDFS-WDEREUQCSA-N 1 2 231.299 1.469 20 30 BDEDLO N#CCC1(O)C[NH+](Cc2coc3ccccc23)C1 ZINC000191920209 188350499 /nfs/dbraw/zinc/35/04/99/188350499.db2.gz VDEHJTQAPVLRJZ-UHFFFAOYSA-N 1 2 242.278 1.893 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2CCO)n1 ZINC000356428788 188370187 /nfs/dbraw/zinc/37/01/87/188370187.db2.gz ZRHQXQUIUOIJMQ-JTQLQIEISA-N 1 2 237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2CCO)n1 ZINC000356428788 188370188 /nfs/dbraw/zinc/37/01/88/188370188.db2.gz ZRHQXQUIUOIJMQ-JTQLQIEISA-N 1 2 237.328 1.362 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000281278894 353439772 /nfs/dbraw/zinc/43/97/72/353439772.db2.gz OHLHPQZIDWHUGP-ZDUSSCGKSA-N 1 2 245.326 1.300 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000281278894 353439775 /nfs/dbraw/zinc/43/97/75/353439775.db2.gz OHLHPQZIDWHUGP-ZDUSSCGKSA-N 1 2 245.326 1.300 20 30 BDEDLO CC#CC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191172414 353441941 /nfs/dbraw/zinc/44/19/41/353441941.db2.gz YWGHUBLLCFNTMS-GFCCVEGCSA-N 1 2 235.356 1.533 20 30 BDEDLO CC#CC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191172414 353441944 /nfs/dbraw/zinc/44/19/44/353441944.db2.gz YWGHUBLLCFNTMS-GFCCVEGCSA-N 1 2 235.356 1.533 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000281349490 353435736 /nfs/dbraw/zinc/43/57/36/353435736.db2.gz TZUSFFNELKWLQK-CYBMUJFWSA-N 1 2 245.326 1.300 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000281349490 353435737 /nfs/dbraw/zinc/43/57/37/353435737.db2.gz TZUSFFNELKWLQK-CYBMUJFWSA-N 1 2 245.326 1.300 20 30 BDEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000282341986 353468876 /nfs/dbraw/zinc/46/88/76/353468876.db2.gz VAWNNPROYNVYTQ-RYUDHWBXSA-N 1 2 248.330 1.229 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000135040537 353525984 /nfs/dbraw/zinc/52/59/84/353525984.db2.gz FPVWNAYMMZZOKL-NSHDSACASA-N 1 2 207.277 1.628 20 30 BDEDLO C=CCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191964794 353529159 /nfs/dbraw/zinc/52/91/59/353529159.db2.gz VKJVYXGAYOSBKL-GMTAPVOTSA-N 1 2 229.320 1.243 20 30 BDEDLO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)OC ZINC000285278265 353532119 /nfs/dbraw/zinc/53/21/19/353532119.db2.gz YZEQQEBXHVKGIU-GXTWGEPZSA-N 1 2 245.322 1.772 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285364251 353535276 /nfs/dbraw/zinc/53/52/76/353535276.db2.gz MBMZLVAKMKMSNJ-LBPRGKRZSA-N 1 2 248.330 1.239 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285364251 353535279 /nfs/dbraw/zinc/53/52/79/353535279.db2.gz MBMZLVAKMKMSNJ-LBPRGKRZSA-N 1 2 248.330 1.239 20 30 BDEDLO C#CCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000192124749 353543920 /nfs/dbraw/zinc/54/39/20/353543920.db2.gz SMZAQKHLWIPRMY-UHFFFAOYSA-N 1 2 245.326 1.803 20 30 BDEDLO CC#CC[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000192381647 353549710 /nfs/dbraw/zinc/54/97/10/353549710.db2.gz PGCAELQPJUJHMK-JTQLQIEISA-N 1 2 209.289 1.426 20 30 BDEDLO CC#CC[N@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000192381647 353549712 /nfs/dbraw/zinc/54/97/12/353549712.db2.gz PGCAELQPJUJHMK-JTQLQIEISA-N 1 2 209.289 1.426 20 30 BDEDLO C=CC[NH+](CC=C)Cc1ccc(OC)nn1 ZINC000283515477 353501639 /nfs/dbraw/zinc/50/16/39/353501639.db2.gz LFGQEAJILLMWFA-UHFFFAOYSA-N 1 2 219.288 1.659 20 30 BDEDLO C=CCC[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000286491163 353562639 /nfs/dbraw/zinc/56/26/39/353562639.db2.gz PAVOQYXSKVGCDE-UHFFFAOYSA-N 1 2 236.237 1.269 20 30 BDEDLO C=CCC[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000286491163 353562641 /nfs/dbraw/zinc/56/26/41/353562641.db2.gz PAVOQYXSKVGCDE-UHFFFAOYSA-N 1 2 236.237 1.269 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](CC(C)C)C(=O)OC ZINC000286568372 353563256 /nfs/dbraw/zinc/56/32/56/353563256.db2.gz VUNAIPPBGMTJTO-NSHDSACASA-N 1 2 211.305 1.529 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](CC(C)C)C(=O)OC ZINC000286568372 353563258 /nfs/dbraw/zinc/56/32/58/353563258.db2.gz VUNAIPPBGMTJTO-NSHDSACASA-N 1 2 211.305 1.529 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1COC(=O)NC ZINC000286981605 353567437 /nfs/dbraw/zinc/56/74/37/353567437.db2.gz ORZPBWVRMVGISQ-JTQLQIEISA-N 1 2 246.738 1.949 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1COC(=O)NC ZINC000286981605 353567439 /nfs/dbraw/zinc/56/74/39/353567439.db2.gz ORZPBWVRMVGISQ-JTQLQIEISA-N 1 2 246.738 1.949 20 30 BDEDLO C#C[C@@H](NC(=O)NCCn1cc[nH+]c1)C(C)(C)C ZINC000288932915 353615483 /nfs/dbraw/zinc/61/54/83/353615483.db2.gz UFDJPOKNNFRUIN-LLVKDONJSA-N 1 2 248.330 1.230 20 30 BDEDLO C#CCC(C)(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000184120132 353615614 /nfs/dbraw/zinc/61/56/14/353615614.db2.gz NIFMEENJBICKAJ-GFCCVEGCSA-N 1 2 247.342 1.685 20 30 BDEDLO C=C[C@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000290425657 353663571 /nfs/dbraw/zinc/66/35/71/353663571.db2.gz QILXPFDCXRKRFA-SECBINFHSA-N 1 2 221.260 1.058 20 30 BDEDLO CC(F)(F)CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000577884163 366095129 /nfs/dbraw/zinc/09/51/29/366095129.db2.gz DQRWHWBUGBERNF-UHFFFAOYSA-N 1 2 245.273 1.090 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000291068839 353679187 /nfs/dbraw/zinc/67/91/87/353679187.db2.gz GUSQOGNYPMHOLE-NSHDSACASA-N 1 2 248.330 1.426 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000291068839 353679189 /nfs/dbraw/zinc/67/91/89/353679189.db2.gz GUSQOGNYPMHOLE-NSHDSACASA-N 1 2 248.330 1.426 20 30 BDEDLO Cc1cc(N2CCC[C@@H](O)CC2)c(C#N)c[nH+]1 ZINC000399026428 353686034 /nfs/dbraw/zinc/68/60/34/353686034.db2.gz HNRAUKAXOXEFJM-GFCCVEGCSA-N 1 2 231.299 1.613 20 30 BDEDLO C#Cc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000291529864 353695211 /nfs/dbraw/zinc/69/52/11/353695211.db2.gz JZRDHYMMQIFICQ-UHFFFAOYSA-N 1 2 237.306 1.880 20 30 BDEDLO C=CCC(F)(F)C(=O)NCCCn1cc[nH+]c1 ZINC000292700284 353720280 /nfs/dbraw/zinc/72/02/80/353720280.db2.gz NQQUEZSPRHQCJR-UHFFFAOYSA-N 1 2 243.257 1.601 20 30 BDEDLO C=CC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000294523598 353781917 /nfs/dbraw/zinc/78/19/17/353781917.db2.gz PCOVMNDIMVMZAF-UHFFFAOYSA-N 1 2 207.277 1.212 20 30 BDEDLO C[N@H+](CC#Cc1ccccc1)C(C)(C)C(N)=O ZINC000295802281 353814735 /nfs/dbraw/zinc/81/47/35/353814735.db2.gz WEEFOLYWKHQIOM-UHFFFAOYSA-N 1 2 230.311 1.234 20 30 BDEDLO C[N@@H+](CC#Cc1ccccc1)C(C)(C)C(N)=O ZINC000295802281 353814737 /nfs/dbraw/zinc/81/47/37/353814737.db2.gz WEEFOLYWKHQIOM-UHFFFAOYSA-N 1 2 230.311 1.234 20 30 BDEDLO C#CCO[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000296871924 353830231 /nfs/dbraw/zinc/83/02/31/353830231.db2.gz ZUJGWRJJEYWJLZ-MNOVXSKESA-N 1 2 249.314 1.261 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(OC)n1)C1CC1 ZINC000294997793 353794638 /nfs/dbraw/zinc/79/46/38/353794638.db2.gz HODCMQCEYIYIKC-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(OC)n1)C1CC1 ZINC000294997793 353794641 /nfs/dbraw/zinc/79/46/41/353794641.db2.gz HODCMQCEYIYIKC-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C#C[C@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000186036114 353865346 /nfs/dbraw/zinc/86/53/46/353865346.db2.gz HIUYCNSSTAEIBC-NSHDSACASA-N 1 2 246.314 1.205 20 30 BDEDLO C=CC[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000186530328 353869285 /nfs/dbraw/zinc/86/92/85/353869285.db2.gz FNTNGBKWXJNTCF-NSHDSACASA-N 1 2 249.314 1.757 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000343770044 353983097 /nfs/dbraw/zinc/98/30/97/353983097.db2.gz MEQLLOFCPPYSDQ-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C[C@H]([NH2+]CCCSC)C(=O)OC ZINC000301014875 363295526 /nfs/dbraw/zinc/29/55/26/363295526.db2.gz HSFZJUCEZXJWJM-QMMMGPOBSA-N 1 2 203.307 1.057 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000336351027 181075161 /nfs/dbraw/zinc/07/51/61/181075161.db2.gz DVPZSYYODTYOHK-LLVKDONJSA-N 1 2 234.274 1.654 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000336351027 181075162 /nfs/dbraw/zinc/07/51/62/181075162.db2.gz DVPZSYYODTYOHK-LLVKDONJSA-N 1 2 234.274 1.654 20 30 BDEDLO C[N@@H+](CCC#N)CCOCc1ccc(C#N)cc1 ZINC000344134818 354149438 /nfs/dbraw/zinc/14/94/38/354149438.db2.gz ZNOXWEAKDIGDAN-UHFFFAOYSA-N 1 2 243.310 1.920 20 30 BDEDLO C[N@H+](CCC#N)CCOCc1ccc(C#N)cc1 ZINC000344134818 354149442 /nfs/dbraw/zinc/14/94/42/354149442.db2.gz ZNOXWEAKDIGDAN-UHFFFAOYSA-N 1 2 243.310 1.920 20 30 BDEDLO CC(C)C[N@H+](CC(N)=O)CC1(C#N)CC1 ZINC000331774326 134001991 /nfs/dbraw/zinc/00/19/91/134001991.db2.gz KXCDQVDZKPUHSB-UHFFFAOYSA-N 1 2 209.293 1.783 20 30 BDEDLO CC(C)C[N@@H+](CC(N)=O)CC1(C#N)CC1 ZINC000331774326 134001992 /nfs/dbraw/zinc/00/19/92/134001992.db2.gz KXCDQVDZKPUHSB-UHFFFAOYSA-N 1 2 209.293 1.783 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)CC2)c(F)c1 ZINC000054867891 181104315 /nfs/dbraw/zinc/10/43/15/181104315.db2.gz YFSAVKRWUKSVNN-UHFFFAOYSA-N 1 2 247.273 1.019 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)CC2)c(F)c1 ZINC000054867891 181104318 /nfs/dbraw/zinc/10/43/18/181104318.db2.gz YFSAVKRWUKSVNN-UHFFFAOYSA-N 1 2 247.273 1.019 20 30 BDEDLO N#Cc1ccc(C[NH+]2CCN(C3CC3)CC2)cc1 ZINC000042490286 181104457 /nfs/dbraw/zinc/10/44/57/181104457.db2.gz PPHHAPQBVXECOB-UHFFFAOYSA-N 1 2 241.338 1.838 20 30 BDEDLO N#Cc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000291535037 181106008 /nfs/dbraw/zinc/10/60/08/181106008.db2.gz KQYQMXMOEUNIBZ-UHFFFAOYSA-N 1 2 238.294 1.771 20 30 BDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)CC1 ZINC000085148847 181113712 /nfs/dbraw/zinc/11/37/12/181113712.db2.gz SOAOALXRZZZBAM-UHFFFAOYSA-N 1 2 234.274 1.654 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nccc(N)n1 ZINC000578023407 366187564 /nfs/dbraw/zinc/18/75/64/366187564.db2.gz WLEMWOQKGAKHAF-SNVBAGLBSA-N 1 2 236.319 1.085 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](C)c1nccc(N)n1 ZINC000578023407 366187570 /nfs/dbraw/zinc/18/75/70/366187570.db2.gz WLEMWOQKGAKHAF-SNVBAGLBSA-N 1 2 236.319 1.085 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCC)CC1 ZINC000301046039 363373786 /nfs/dbraw/zinc/37/37/86/363373786.db2.gz OHVLWQXBHOSQQK-LLVKDONJSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H]([NH2+][C@@H](CC)CSC)C(=O)OC ZINC000301050411 363394615 /nfs/dbraw/zinc/39/46/15/363394615.db2.gz SKVYUDFBFFDKTJ-IUCAKERBSA-N 1 2 217.334 1.445 20 30 BDEDLO Cc1cccc2[nH+]cc(CN3CC(C)(C#N)C3)n21 ZINC000335169763 354932658 /nfs/dbraw/zinc/93/26/58/354932658.db2.gz NVIBMAOPAXGFAU-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346564408 354970565 /nfs/dbraw/zinc/97/05/65/354970565.db2.gz GYDXBXKIECDGIQ-JTQLQIEISA-N 1 2 237.303 1.349 20 30 BDEDLO N#Cc1nc(NCCn2cc[nH+]c2)ccc1Cl ZINC000301495932 181168619 /nfs/dbraw/zinc/16/86/19/181168619.db2.gz AZXZSZVDRLSVLP-UHFFFAOYSA-N 1 2 247.689 1.915 20 30 BDEDLO C=C[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413182402 191361332 /nfs/dbraw/zinc/36/13/32/191361332.db2.gz GLHVUSWLOXHSAS-BDAKNGLRSA-N 1 2 222.292 1.256 20 30 BDEDLO C=C[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413182402 191361334 /nfs/dbraw/zinc/36/13/34/191361334.db2.gz GLHVUSWLOXHSAS-BDAKNGLRSA-N 1 2 222.292 1.256 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)C[C@@H](C)C#N)cn1C ZINC000347596888 355251148 /nfs/dbraw/zinc/25/11/48/355251148.db2.gz VTOUIQZYCHDOSZ-JTQLQIEISA-N 1 2 249.314 1.403 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)C#N)cn1C ZINC000347596888 355251151 /nfs/dbraw/zinc/25/11/51/355251151.db2.gz VTOUIQZYCHDOSZ-JTQLQIEISA-N 1 2 249.314 1.403 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413230511 191364716 /nfs/dbraw/zinc/36/47/16/191364716.db2.gz ROWLPKYEZOEGLE-SNVBAGLBSA-N 1 2 248.330 1.647 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413230511 191364719 /nfs/dbraw/zinc/36/47/19/191364719.db2.gz ROWLPKYEZOEGLE-SNVBAGLBSA-N 1 2 248.330 1.647 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccns2)nn1 ZINC000639276052 355353251 /nfs/dbraw/zinc/35/32/51/355353251.db2.gz VEAUDNZRITUCPP-UHFFFAOYSA-N 1 2 235.316 1.210 20 30 BDEDLO C=CCCC1(c2nc(C[NH2+]C)no2)CC1 ZINC000414640920 191541138 /nfs/dbraw/zinc/54/11/38/191541138.db2.gz IREVBWQULMBYEB-UHFFFAOYSA-N 1 2 207.277 1.787 20 30 BDEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000335787857 355438758 /nfs/dbraw/zinc/43/87/58/355438758.db2.gz HFHUTLGYWAGZMX-BETUJISGSA-N 1 2 231.299 1.260 20 30 BDEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000335787857 355438762 /nfs/dbraw/zinc/43/87/62/355438762.db2.gz HFHUTLGYWAGZMX-BETUJISGSA-N 1 2 231.299 1.260 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(C#N)CC1 ZINC000335792485 355445184 /nfs/dbraw/zinc/44/51/84/355445184.db2.gz OFRNBYRDQBGETA-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1(C#N)CC1 ZINC000335792485 355445187 /nfs/dbraw/zinc/44/51/87/355445187.db2.gz OFRNBYRDQBGETA-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1ccsc1 ZINC000352031590 134044698 /nfs/dbraw/zinc/04/46/98/134044698.db2.gz FZGCFBFQXWPWHN-PWSUYJOCSA-N 1 2 249.339 1.815 20 30 BDEDLO CC(C)O[NH+]=C(N)COc1cccc(F)c1 ZINC000186827198 535291767 /nfs/dbraw/zinc/29/17/67/535291767.db2.gz CVXMZJIRQJSVJQ-UHFFFAOYSA-N 1 2 226.251 1.902 20 30 BDEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)nc1 ZINC000352097875 134064746 /nfs/dbraw/zinc/06/47/46/134064746.db2.gz WQIQAFLQRGKISZ-LLVKDONJSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)nc1 ZINC000352097875 134064747 /nfs/dbraw/zinc/06/47/47/134064747.db2.gz WQIQAFLQRGKISZ-LLVKDONJSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N[C@]1(C)CCCOC1 ZINC000329156611 355900151 /nfs/dbraw/zinc/90/01/51/355900151.db2.gz VVVUKODKUKPJTP-CYBMUJFWSA-N 1 2 249.314 1.707 20 30 BDEDLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@]12CCOC2 ZINC000329665391 355990309 /nfs/dbraw/zinc/99/03/09/355990309.db2.gz PWJLMSAGFZQIFI-GZMMTYOYSA-N 1 2 221.260 1.293 20 30 BDEDLO C[C@@H]1C[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330177913 356177898 /nfs/dbraw/zinc/17/78/98/356177898.db2.gz LCTAMHMJMKJTLL-MXWKQRLJSA-N 1 2 248.330 1.358 20 30 BDEDLO C=CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000617611122 356178512 /nfs/dbraw/zinc/17/85/12/356178512.db2.gz MPARAHVVFFWMBP-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO [O-]C(NC1CCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330192879 356181417 /nfs/dbraw/zinc/18/14/17/356181417.db2.gz NYUWWKKGTGYHEW-SNVBAGLBSA-N 1 2 234.303 1.254 20 30 BDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCC1 ZINC000330192879 356181422 /nfs/dbraw/zinc/18/14/22/356181422.db2.gz NYUWWKKGTGYHEW-SNVBAGLBSA-N 1 2 234.303 1.254 20 30 BDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1csnn1 ZINC000330288417 356198501 /nfs/dbraw/zinc/19/85/01/356198501.db2.gz BPWLBDZTPSEXAS-ZETCQYMHSA-N 1 2 249.299 1.054 20 30 BDEDLO N#CC1(F)CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000352462968 356361205 /nfs/dbraw/zinc/36/12/05/356361205.db2.gz HBEKPXLTEVQZAO-SSDOTTSWSA-N 1 2 240.200 1.237 20 30 BDEDLO C=CCCOCC[NH2+][C@H](CC)C(=O)OC ZINC000192861073 356467428 /nfs/dbraw/zinc/46/74/28/356467428.db2.gz GPKSYWNFVZRKDP-SNVBAGLBSA-N 1 2 215.293 1.120 20 30 BDEDLO C=CCSCC[NH2+][C@H](CC)C(=O)OC ZINC000192863556 356467819 /nfs/dbraw/zinc/46/78/19/356467819.db2.gz JVPDCLPGZAZQQI-SECBINFHSA-N 1 2 217.334 1.447 20 30 BDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)ccn1 ZINC000049502449 356470369 /nfs/dbraw/zinc/47/03/69/356470369.db2.gz HWFIWADUHXEFJK-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1C[C@H](O)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000449774104 202033096 /nfs/dbraw/zinc/03/30/96/202033096.db2.gz LCFVCWGTVKVVIA-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1C[C@H](O)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000449774104 202033100 /nfs/dbraw/zinc/03/31/00/202033100.db2.gz LCFVCWGTVKVVIA-WPRPVWTQSA-N 1 2 237.328 1.217 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300063 356560495 /nfs/dbraw/zinc/56/04/95/356560495.db2.gz IJXWEQNPHNIFCF-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299653 356566404 /nfs/dbraw/zinc/56/64/04/356566404.db2.gz AISCXURNWXNFGJ-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO CCC[N@H+](CC(=O)OCC)CC1(CC#N)CC1 ZINC000088256874 356640229 /nfs/dbraw/zinc/64/02/29/356640229.db2.gz GBBDFCKBKMVQOQ-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO CCC[N@@H+](CC(=O)OCC)CC1(CC#N)CC1 ZINC000088256874 356640230 /nfs/dbraw/zinc/64/02/30/356640230.db2.gz GBBDFCKBKMVQOQ-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO C[C@H]1C[C@@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000352714218 134151623 /nfs/dbraw/zinc/15/16/23/134151623.db2.gz BCRKJNYBMPQXTB-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)c1cc(C#N)c[nH]1 ZINC000578142389 366322233 /nfs/dbraw/zinc/32/22/33/366322233.db2.gz JELXUJDLURAIGG-UHFFFAOYSA-N 1 2 243.270 1.033 20 30 BDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)C#N ZINC000194691622 134159645 /nfs/dbraw/zinc/15/96/45/134159645.db2.gz QEOJGCGCCRJTSR-VIFPVBQESA-N 1 2 242.282 1.373 20 30 BDEDLO C=C1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450388222 202148770 /nfs/dbraw/zinc/14/87/70/202148770.db2.gz IFNCUTGKRSZWBQ-UHFFFAOYSA-N 1 2 232.331 1.840 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116296053 134161809 /nfs/dbraw/zinc/16/18/09/134161809.db2.gz ZOHBVNXXYYETJU-JTQLQIEISA-N 1 2 233.271 1.056 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116296053 134161810 /nfs/dbraw/zinc/16/18/10/134161810.db2.gz ZOHBVNXXYYETJU-JTQLQIEISA-N 1 2 233.271 1.056 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353285526 134163135 /nfs/dbraw/zinc/16/31/35/134163135.db2.gz ZBVVWDMNFDHHQE-SECBINFHSA-N 1 2 218.247 1.646 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353285526 134163136 /nfs/dbraw/zinc/16/31/36/134163136.db2.gz ZBVVWDMNFDHHQE-SECBINFHSA-N 1 2 218.247 1.646 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)CC(C)(C)C#N ZINC000354040309 134166462 /nfs/dbraw/zinc/16/64/62/134166462.db2.gz OPPSVRGKDSYPJQ-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000354040309 134166463 /nfs/dbraw/zinc/16/64/63/134166463.db2.gz OPPSVRGKDSYPJQ-UHFFFAOYSA-N 1 2 220.320 1.710 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000367187482 134170888 /nfs/dbraw/zinc/17/08/88/134170888.db2.gz PMFXDZBNMLBBLA-YPMHNXCESA-N 1 2 245.326 1.220 20 30 BDEDLO C=CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623372276 356881180 /nfs/dbraw/zinc/88/11/80/356881180.db2.gz MOKQNEVHHBMCKT-JTQLQIEISA-N 1 2 219.288 1.056 20 30 BDEDLO CC(C)Oc1ccc(C[NH2+]CCC#N)cn1 ZINC000582840435 357413115 /nfs/dbraw/zinc/41/31/15/357413115.db2.gz ZGSSHORKNOMXOH-UHFFFAOYSA-N 1 2 219.288 1.872 20 30 BDEDLO Cc1cc(C)c(CNC(=O)NC[C@@H](C)C#N)c[nH+]1 ZINC000583069534 357472651 /nfs/dbraw/zinc/47/26/51/357472651.db2.gz YSKMTXNUGSZYTC-VIFPVBQESA-N 1 2 246.314 1.657 20 30 BDEDLO CCC(C#N)(CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396931303 357486831 /nfs/dbraw/zinc/48/68/31/357486831.db2.gz PINRPDUTJODRAH-UHFFFAOYSA-N 1 2 246.314 1.624 20 30 BDEDLO CCC(C#N)(CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396931303 357486833 /nfs/dbraw/zinc/48/68/33/357486833.db2.gz PINRPDUTJODRAH-UHFFFAOYSA-N 1 2 246.314 1.624 20 30 BDEDLO Cn1cc(C[N@@H+]2CCOCC23CCC3)cc1C#N ZINC000191380331 357766966 /nfs/dbraw/zinc/76/69/66/357766966.db2.gz LIWBRNDQKZPZDO-UHFFFAOYSA-N 1 2 245.326 1.652 20 30 BDEDLO Cn1cc(C[N@H+]2CCOCC23CCC3)cc1C#N ZINC000191380331 357766967 /nfs/dbraw/zinc/76/69/67/357766967.db2.gz LIWBRNDQKZPZDO-UHFFFAOYSA-N 1 2 245.326 1.652 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cscn1 ZINC000191758378 357793546 /nfs/dbraw/zinc/79/35/46/357793546.db2.gz HYKRRHSQGSNHQG-UHFFFAOYSA-N 1 2 212.318 1.778 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cscn1 ZINC000191758378 357793550 /nfs/dbraw/zinc/79/35/50/357793550.db2.gz HYKRRHSQGSNHQG-UHFFFAOYSA-N 1 2 212.318 1.778 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc(N(C)C)no1 ZINC000375799504 134240825 /nfs/dbraw/zinc/24/08/25/134240825.db2.gz VZJJAPRUIZMCSR-SNVBAGLBSA-N 1 2 234.303 1.296 20 30 BDEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc(N(C)C)no1 ZINC000375799504 134240826 /nfs/dbraw/zinc/24/08/26/134240826.db2.gz VZJJAPRUIZMCSR-SNVBAGLBSA-N 1 2 234.303 1.296 20 30 BDEDLO C=CCCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284542827 491120911 /nfs/dbraw/zinc/12/09/11/491120911.db2.gz XKDMOZFJEFOTQO-SNAWJCMRSA-N 1 2 235.287 1.132 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000104352019 358223894 /nfs/dbraw/zinc/22/38/94/358223894.db2.gz YVIFUGSLLNROHE-GFCCVEGCSA-N 1 2 234.303 1.472 20 30 BDEDLO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000610917327 358233318 /nfs/dbraw/zinc/23/33/18/358233318.db2.gz DJJMHJATLQEVDA-NSHDSACASA-N 1 2 231.299 1.825 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000610992988 358425166 /nfs/dbraw/zinc/42/51/66/358425166.db2.gz XWRWYYVDLZWUHT-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000610992988 358425168 /nfs/dbraw/zinc/42/51/68/358425168.db2.gz XWRWYYVDLZWUHT-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324288 358521772 /nfs/dbraw/zinc/52/17/72/358521772.db2.gz NIGCISCWYCXPGV-NWDGAFQWSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324288 358521776 /nfs/dbraw/zinc/52/17/76/358521776.db2.gz NIGCISCWYCXPGV-NWDGAFQWSA-N 1 2 239.363 1.773 20 30 BDEDLO CCC(CC)C[N@H+](CCC#N)CC(N)=O ZINC000072692867 359088499 /nfs/dbraw/zinc/08/84/99/359088499.db2.gz RFNXMNUGULHUDA-UHFFFAOYSA-N 1 2 211.309 1.124 20 30 BDEDLO CCC(CC)C[N@@H+](CCC#N)CC(N)=O ZINC000072692867 359088503 /nfs/dbraw/zinc/08/85/03/359088503.db2.gz RFNXMNUGULHUDA-UHFFFAOYSA-N 1 2 211.309 1.124 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(C#N)s1 ZINC000611271971 359285569 /nfs/dbraw/zinc/28/55/69/359285569.db2.gz YWJOQLSZLXYEEK-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(C#N)s1 ZINC000611271971 359285576 /nfs/dbraw/zinc/28/55/76/359285576.db2.gz YWJOQLSZLXYEEK-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO Cc1cnc([C@H](C)[NH+]2CCN(CCC#N)CC2)o1 ZINC000611302828 359306492 /nfs/dbraw/zinc/30/64/92/359306492.db2.gz HWEUYXUATBGBLJ-LBPRGKRZSA-N 1 2 248.330 1.575 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)OC ZINC000619702125 363636703 /nfs/dbraw/zinc/63/67/03/363636703.db2.gz GRVZZPYYMGUCOP-YTWAJWBKSA-N 1 2 239.315 1.117 20 30 BDEDLO COCC#CC[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000611575968 359397387 /nfs/dbraw/zinc/39/73/87/359397387.db2.gz WVNZPJIDJVIVQS-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO COCC#CC[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000611575968 359397389 /nfs/dbraw/zinc/39/73/89/359397389.db2.gz WVNZPJIDJVIVQS-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCOCC2(CC2)C1 ZINC000611815451 359455517 /nfs/dbraw/zinc/45/55/17/359455517.db2.gz FRNGKGZJRMYXPA-GFCCVEGCSA-N 1 2 233.315 1.542 20 30 BDEDLO N#CCC[C@H](C#N)C[N@H+]1CCOCC2(CC2)C1 ZINC000611815451 359455522 /nfs/dbraw/zinc/45/55/22/359455522.db2.gz FRNGKGZJRMYXPA-GFCCVEGCSA-N 1 2 233.315 1.542 20 30 BDEDLO Cc1cc(C)cc(C[NH+]2CC(O)(CC#N)C2)c1 ZINC000191231170 359541720 /nfs/dbraw/zinc/54/17/20/359541720.db2.gz BXSYGFNSBYKBPT-UHFFFAOYSA-N 1 2 230.311 1.764 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000628490829 359638159 /nfs/dbraw/zinc/63/81/59/359638159.db2.gz HJHSKUMNVDSCKD-NSHDSACASA-N 1 2 233.315 1.767 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000628490829 359638164 /nfs/dbraw/zinc/63/81/64/359638164.db2.gz HJHSKUMNVDSCKD-NSHDSACASA-N 1 2 233.315 1.767 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167697 359717406 /nfs/dbraw/zinc/71/74/06/359717406.db2.gz UWBXUTXYSYOIPM-WCQYABFASA-N 1 2 235.331 1.303 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167697 359717412 /nfs/dbraw/zinc/71/74/12/359717412.db2.gz UWBXUTXYSYOIPM-WCQYABFASA-N 1 2 235.331 1.303 20 30 BDEDLO Cn1nccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159559 359707875 /nfs/dbraw/zinc/70/78/75/359707875.db2.gz CTMHBSYFRVRMSB-GFCCVEGCSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1nccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159559 359707877 /nfs/dbraw/zinc/70/78/77/359707877.db2.gz CTMHBSYFRVRMSB-GFCCVEGCSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612159582 359710261 /nfs/dbraw/zinc/71/02/61/359710261.db2.gz WLCZMGFJSMILST-GFCCVEGCSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612159582 359710266 /nfs/dbraw/zinc/71/02/66/359710266.db2.gz WLCZMGFJSMILST-GFCCVEGCSA-N 1 2 218.304 1.546 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165382 359719904 /nfs/dbraw/zinc/71/99/04/359719904.db2.gz MXFTZSFKCVGRDJ-YPMHNXCESA-N 1 2 237.347 1.527 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165382 359719910 /nfs/dbraw/zinc/71/99/10/359719910.db2.gz MXFTZSFKCVGRDJ-YPMHNXCESA-N 1 2 237.347 1.527 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1CC(OCC)C1)C(=O)OC ZINC000619702626 363665721 /nfs/dbraw/zinc/66/57/21/363665721.db2.gz JHKBKLWEXUJHLH-HTAVTVPLSA-N 1 2 241.331 1.509 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@H](OCC)C(C)C)C(=O)OC ZINC000619702706 363679877 /nfs/dbraw/zinc/67/98/77/363679877.db2.gz QCPIAHXQASBQKE-NEPJUHHUSA-N 1 2 243.347 1.755 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451185865 202372358 /nfs/dbraw/zinc/37/23/58/202372358.db2.gz LXXMUYYDZWFAFG-NSHDSACASA-N 1 2 226.295 1.231 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451185865 202372360 /nfs/dbraw/zinc/37/23/60/202372360.db2.gz LXXMUYYDZWFAFG-NSHDSACASA-N 1 2 226.295 1.231 20 30 BDEDLO F[C@@H]1CCN(CC#CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC000451203468 202379817 /nfs/dbraw/zinc/37/98/17/202379817.db2.gz ZBNZIXYNFZIQPV-VXGBXAGGSA-N 1 2 228.286 1.077 20 30 BDEDLO F[C@@H]1CCN(CC#CC[N@H+]2CC[C@@H](F)C2)C1 ZINC000451203468 202379819 /nfs/dbraw/zinc/37/98/19/202379819.db2.gz ZBNZIXYNFZIQPV-VXGBXAGGSA-N 1 2 228.286 1.077 20 30 BDEDLO N#Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088751173 359976139 /nfs/dbraw/zinc/97/61/39/359976139.db2.gz UJCIKPBWKJLPTI-UHFFFAOYSA-N 1 2 226.239 1.211 20 30 BDEDLO N#Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088751173 359976143 /nfs/dbraw/zinc/97/61/43/359976143.db2.gz UJCIKPBWKJLPTI-UHFFFAOYSA-N 1 2 226.239 1.211 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007605 360052992 /nfs/dbraw/zinc/05/29/92/360052992.db2.gz IALTWVDAZPWKSG-JTQLQIEISA-N 1 2 201.697 1.850 20 30 BDEDLO C=C(Cl)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090007605 360052996 /nfs/dbraw/zinc/05/29/96/360052996.db2.gz IALTWVDAZPWKSG-JTQLQIEISA-N 1 2 201.697 1.850 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cn2ccccc2n1 ZINC000067405934 370667440 /nfs/dbraw/zinc/66/74/40/370667440.db2.gz UBJZNBHOGKXJQE-SNVBAGLBSA-N 1 2 214.272 1.726 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cn2ccccc2n1 ZINC000067405931 370667854 /nfs/dbraw/zinc/66/78/54/370667854.db2.gz UBJZNBHOGKXJQE-JTQLQIEISA-N 1 2 214.272 1.726 20 30 BDEDLO Cc1cc(C#N)cc(N(C)Cc2[nH+]ccn2C)n1 ZINC000161050887 360419726 /nfs/dbraw/zinc/41/97/26/360419726.db2.gz HREJOBYNSCOAIS-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCn1cc(C)cn1 ZINC000428854107 201043337 /nfs/dbraw/zinc/04/33/37/201043337.db2.gz ZXRIVERGDKHXFV-UHFFFAOYSA-N 1 2 218.304 1.593 20 30 BDEDLO C=CC[N@H+](CCC#N)CCn1cc(C)cn1 ZINC000428854107 201043341 /nfs/dbraw/zinc/04/33/41/201043341.db2.gz ZXRIVERGDKHXFV-UHFFFAOYSA-N 1 2 218.304 1.593 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(=O)NCCCC ZINC000428846986 201045343 /nfs/dbraw/zinc/04/53/43/201045343.db2.gz DYDCCNSOIDNNSN-UHFFFAOYSA-N 1 2 237.347 1.694 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(=O)NCCCC ZINC000428846986 201045346 /nfs/dbraw/zinc/04/53/46/201045346.db2.gz DYDCCNSOIDNNSN-UHFFFAOYSA-N 1 2 237.347 1.694 20 30 BDEDLO COC(=O)[C@H]1CC[N@H+](CC#N)[C@H]1C(C)C ZINC000429375162 201102889 /nfs/dbraw/zinc/10/28/89/201102889.db2.gz GBYBEXRSQIRBAT-UWVGGRQHSA-N 1 2 210.277 1.029 20 30 BDEDLO COC(=O)[C@H]1CC[N@@H+](CC#N)[C@H]1C(C)C ZINC000429375162 201102891 /nfs/dbraw/zinc/10/28/91/201102891.db2.gz GBYBEXRSQIRBAT-UWVGGRQHSA-N 1 2 210.277 1.029 20 30 BDEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000430129350 201146800 /nfs/dbraw/zinc/14/68/00/201146800.db2.gz IEYYVSXPBZTNBV-WPRPVWTQSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000430129350 201146802 /nfs/dbraw/zinc/14/68/02/201146802.db2.gz IEYYVSXPBZTNBV-WPRPVWTQSA-N 1 2 237.328 1.360 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(=O)OC ZINC000430081168 201143490 /nfs/dbraw/zinc/14/34/90/201143490.db2.gz WEFYXBNNXBMEIN-KKOKHZNYSA-N 1 2 241.331 1.365 20 30 BDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1c[nH+]c[nH]1 ZINC000438010948 201383398 /nfs/dbraw/zinc/38/33/98/201383398.db2.gz JWHIRLXFUQAUSK-LBPRGKRZSA-N 1 2 237.303 1.255 20 30 BDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1c[nH]c[nH+]1 ZINC000438010948 201383401 /nfs/dbraw/zinc/38/34/01/201383401.db2.gz JWHIRLXFUQAUSK-LBPRGKRZSA-N 1 2 237.303 1.255 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000619720471 363924850 /nfs/dbraw/zinc/92/48/50/363924850.db2.gz HOOUCWKDPVWCFF-IJLUTSLNSA-N 1 2 241.331 1.197 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000619720471 363924851 /nfs/dbraw/zinc/92/48/51/363924851.db2.gz HOOUCWKDPVWCFF-IJLUTSLNSA-N 1 2 241.331 1.197 20 30 BDEDLO C=CCOCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000622083002 370699315 /nfs/dbraw/zinc/69/93/15/370699315.db2.gz VXPCJMXPOPILKP-SNVBAGLBSA-N 1 2 237.303 1.283 20 30 BDEDLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@]12CCOC2 ZINC000329582233 541349244 /nfs/dbraw/zinc/34/92/44/541349244.db2.gz AKOROTUOHDSEOO-ONGXEEELSA-N 1 2 221.260 1.293 20 30 BDEDLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@]12CCOC2 ZINC000329582233 541349248 /nfs/dbraw/zinc/34/92/48/541349248.db2.gz AKOROTUOHDSEOO-ONGXEEELSA-N 1 2 221.260 1.293 20 30 BDEDLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC1=O ZINC000330093853 541366486 /nfs/dbraw/zinc/36/64/86/541366486.db2.gz SCBOYZGDMQPGLH-SECBINFHSA-N 1 2 235.287 1.668 20 30 BDEDLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC1=O ZINC000330093853 541366491 /nfs/dbraw/zinc/36/64/91/541366491.db2.gz SCBOYZGDMQPGLH-SECBINFHSA-N 1 2 235.287 1.668 20 30 BDEDLO CCC[N@H+](CC#N)C[C@@H]1CCCC[C@H]1O ZINC000328529342 364865399 /nfs/dbraw/zinc/86/53/99/364865399.db2.gz WLCMVXQMUNYHTQ-NWDGAFQWSA-N 1 2 210.321 1.773 20 30 BDEDLO CCC[N@@H+](CC#N)C[C@@H]1CCCC[C@H]1O ZINC000328529342 364865407 /nfs/dbraw/zinc/86/54/07/364865407.db2.gz WLCMVXQMUNYHTQ-NWDGAFQWSA-N 1 2 210.321 1.773 20 30 BDEDLO CCC(CC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573924945 364947180 /nfs/dbraw/zinc/94/71/80/364947180.db2.gz KSWDSERBELFGAR-LBPRGKRZSA-N 1 2 225.336 1.383 20 30 BDEDLO CCC(CC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573924943 364947857 /nfs/dbraw/zinc/94/78/57/364947857.db2.gz KSWDSERBELFGAR-GFCCVEGCSA-N 1 2 225.336 1.383 20 30 BDEDLO CC[C@H](C)NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000575327422 365290843 /nfs/dbraw/zinc/29/08/43/365290843.db2.gz WGZNPEJSGVEKKY-UWVGGRQHSA-N 1 2 211.309 1.183 20 30 BDEDLO COCC1(CCNc2cc(C)[nH+]cc2C#N)CC1 ZINC000575799394 365366687 /nfs/dbraw/zinc/36/66/87/365366687.db2.gz FIUBUDZCXMPKFV-UHFFFAOYSA-N 1 2 245.326 1.912 20 30 BDEDLO N#Cc1csc(C[NH2+]C2(CF)CCC2)n1 ZINC000575922464 365414980 /nfs/dbraw/zinc/41/49/80/365414980.db2.gz ZMAUKSSLTSIVPZ-UHFFFAOYSA-N 1 2 225.292 1.997 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000575933782 365420859 /nfs/dbraw/zinc/42/08/59/365420859.db2.gz VURSPPSXFOITRD-VHSXEESVSA-N 1 2 234.303 1.397 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000575933782 365420860 /nfs/dbraw/zinc/42/08/60/365420860.db2.gz VURSPPSXFOITRD-VHSXEESVSA-N 1 2 234.303 1.397 20 30 BDEDLO C[C@@H](CNc1ccnc(C#N)c1)[NH+]1CCOCC1 ZINC000299588934 541483615 /nfs/dbraw/zinc/48/36/15/541483615.db2.gz CTFYMRYZYGIUSD-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccco1 ZINC000580894279 367200433 /nfs/dbraw/zinc/20/04/33/367200433.db2.gz AGMWERPGJSUBTI-ZDUSSCGKSA-N 1 2 249.314 1.172 20 30 BDEDLO C[N@H+](Cc1cccnc1)Cc1ccnc(C#N)c1 ZINC000068765771 370844154 /nfs/dbraw/zinc/84/41/54/370844154.db2.gz PZCSYMSJAPEGTA-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1cccnc1)Cc1ccnc(C#N)c1 ZINC000068765771 370844160 /nfs/dbraw/zinc/84/41/60/370844160.db2.gz PZCSYMSJAPEGTA-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO CCC(CC)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581074656 367255173 /nfs/dbraw/zinc/25/51/73/367255173.db2.gz OVTSSYWGWQPWIA-CYBMUJFWSA-N 1 2 239.363 1.773 20 30 BDEDLO CCC[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581583411 367608181 /nfs/dbraw/zinc/60/81/81/367608181.db2.gz IDDOELWSCGSANU-ZYHUDNBSSA-N 1 2 225.336 1.383 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615741884 368231445 /nfs/dbraw/zinc/23/14/45/368231445.db2.gz CXWSTZMXNLNKIR-WDEREUQCSA-N 1 2 246.314 1.254 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615831439 368479315 /nfs/dbraw/zinc/47/93/15/368479315.db2.gz NFLUNWGPNHHTSS-GHMZBOCLSA-N 1 2 247.342 1.852 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000068468564 368727258 /nfs/dbraw/zinc/72/72/58/368727258.db2.gz WWGYKJFOEKZRNM-UHFFFAOYSA-N 1 2 248.370 1.734 20 30 BDEDLO CC#CCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000458644681 203185753 /nfs/dbraw/zinc/18/57/53/203185753.db2.gz CMFLQMWZXYMUKR-LLVKDONJSA-N 1 2 248.330 1.677 20 30 BDEDLO CC#CCN(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459067201 203228179 /nfs/dbraw/zinc/22/81/79/203228179.db2.gz VOQSPXMSCMJSEO-LLVKDONJSA-N 1 2 248.330 1.629 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459330014 203258850 /nfs/dbraw/zinc/25/88/50/203258850.db2.gz RVAIALRZAJFVFV-SECBINFHSA-N 1 2 246.314 1.651 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459330014 203258854 /nfs/dbraw/zinc/25/88/54/203258854.db2.gz RVAIALRZAJFVFV-SECBINFHSA-N 1 2 246.314 1.651 20 30 BDEDLO COc1ccncc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459480846 203291389 /nfs/dbraw/zinc/29/13/89/203291389.db2.gz PPDMMOVRDWHRKQ-PWSUYJOCSA-N 1 2 231.299 1.872 20 30 BDEDLO CC(C)[C@@H]([NH2+]CC#N)C1(CO)CCCC1 ZINC000459518001 203295017 /nfs/dbraw/zinc/29/50/17/203295017.db2.gz BESYASHIEZIDNO-LLVKDONJSA-N 1 2 210.321 1.677 20 30 BDEDLO C[C@@]1(C#N)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000619442640 369360006 /nfs/dbraw/zinc/36/00/06/369360006.db2.gz AZMLEKRWYXWMEB-ZDUSSCGKSA-N 1 2 246.314 1.495 20 30 BDEDLO C[C@@]1(C#N)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000619442640 369360009 /nfs/dbraw/zinc/36/00/09/369360009.db2.gz AZMLEKRWYXWMEB-ZDUSSCGKSA-N 1 2 246.314 1.495 20 30 BDEDLO Cc1cc(N2C[C@H](O)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000401962452 369375110 /nfs/dbraw/zinc/37/51/10/369375110.db2.gz PTAWYQJFDIPYNR-JOYOIKCWSA-N 1 2 231.299 1.469 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOC(C)(C)C ZINC000619719146 369548786 /nfs/dbraw/zinc/54/87/86/369548786.db2.gz XPWNUXFKDSDQAD-JTQLQIEISA-N 1 2 229.320 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOC(C)(C)C ZINC000619719146 369548790 /nfs/dbraw/zinc/54/87/90/369548790.db2.gz XPWNUXFKDSDQAD-JTQLQIEISA-N 1 2 229.320 1.461 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC000620304222 369821096 /nfs/dbraw/zinc/82/10/96/369821096.db2.gz UANBRSLZBXIMNK-TXEJJXNPSA-N 1 2 245.326 1.970 20 30 BDEDLO CC1(C)COCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602447882 369788175 /nfs/dbraw/zinc/78/81/75/369788175.db2.gz BZCLUJGEMIGPPI-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO CC1(C)COCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602447882 369788181 /nfs/dbraw/zinc/78/81/81/369788181.db2.gz BZCLUJGEMIGPPI-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO CC1(C)C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602446259 369789982 /nfs/dbraw/zinc/78/99/82/369789982.db2.gz ZTVYJQYYGQYMMS-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602446259 369789984 /nfs/dbraw/zinc/78/99/84/369789984.db2.gz ZTVYJQYYGQYMMS-UHFFFAOYSA-N 1 2 231.299 1.564 20 30 BDEDLO COc1cc(C[NH2+]Cc2cccc(C#N)n2)on1 ZINC000602714059 369845876 /nfs/dbraw/zinc/84/58/76/369845876.db2.gz SKMNLATUUIDXCC-UHFFFAOYSA-N 1 2 244.254 1.240 20 30 BDEDLO CO[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000602896869 369861015 /nfs/dbraw/zinc/86/10/15/369861015.db2.gz KGFRKPDRNGGRAW-CYBMUJFWSA-N 1 2 232.283 1.363 20 30 BDEDLO CO[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000602896869 369861020 /nfs/dbraw/zinc/86/10/20/369861020.db2.gz KGFRKPDRNGGRAW-CYBMUJFWSA-N 1 2 232.283 1.363 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000225301997 370110141 /nfs/dbraw/zinc/11/01/41/370110141.db2.gz RMPVOFNCQILJIB-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000225301997 370110147 /nfs/dbraw/zinc/11/01/47/370110147.db2.gz RMPVOFNCQILJIB-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000225301955 370110159 /nfs/dbraw/zinc/11/01/59/370110159.db2.gz RMPVOFNCQILJIB-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@@H](C)CO1 ZINC000225301955 370110163 /nfs/dbraw/zinc/11/01/63/370110163.db2.gz RMPVOFNCQILJIB-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO CC#CC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621355705 370291386 /nfs/dbraw/zinc/29/13/86/370291386.db2.gz UZEXQWIAQULWLZ-CYBMUJFWSA-N 1 2 249.335 1.269 20 30 BDEDLO Cc1nsc(NCCc2cn(C)c[nH+]2)c1C#N ZINC000313477150 370589810 /nfs/dbraw/zinc/58/98/10/370589810.db2.gz AGSKDURLXXYPQK-UHFFFAOYSA-N 1 2 247.327 1.711 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCS[C@H]1C)C(=O)OC ZINC000389290845 371128270 /nfs/dbraw/zinc/12/82/70/371128270.db2.gz ZCTTVXMWBFHOCA-CIUDSAMLSA-N 1 2 215.318 1.198 20 30 BDEDLO C=CCCCCCNc1nc(C)[nH+]c(N)n1 ZINC000631346314 372306454 /nfs/dbraw/zinc/30/64/54/372306454.db2.gz JGJPLMQVVKEVTD-UHFFFAOYSA-N 1 2 221.308 1.173 20 30 BDEDLO C=CCCCCCNc1nc(N)nc(C)[nH+]1 ZINC000631346314 372306461 /nfs/dbraw/zinc/30/64/61/372306461.db2.gz JGJPLMQVVKEVTD-UHFFFAOYSA-N 1 2 221.308 1.173 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(N)n1 ZINC000631372228 372320751 /nfs/dbraw/zinc/32/07/51/372320751.db2.gz KOZZEGIAWVMERP-AOOOYVTPSA-N 1 2 231.303 1.280 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(N)nc(C)[nH+]1 ZINC000631372228 372320752 /nfs/dbraw/zinc/32/07/52/372320752.db2.gz KOZZEGIAWVMERP-AOOOYVTPSA-N 1 2 231.303 1.280 20 30 BDEDLO C=C(C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633279614 373443659 /nfs/dbraw/zinc/44/36/59/373443659.db2.gz YXNQWLZZTZZYKW-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO CC#CCCn1ncc2c1nc[nH+]c2NC ZINC000194430966 206090795 /nfs/dbraw/zinc/09/07/95/206090795.db2.gz QZNDZXDBKNMJAU-UHFFFAOYSA-N 1 2 215.260 1.281 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1ccc(Br)n1 ZINC000306505016 383849786 /nfs/dbraw/zinc/84/97/86/383849786.db2.gz SCRKEELWASJAEQ-MRVPVSSYSA-N 1 2 242.120 1.557 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1ccc(Br)n1 ZINC000306505016 383849796 /nfs/dbraw/zinc/84/97/96/383849796.db2.gz SCRKEELWASJAEQ-MRVPVSSYSA-N 1 2 242.120 1.557 20 30 BDEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000292599592 384204658 /nfs/dbraw/zinc/20/46/58/384204658.db2.gz ZSYURGAVFMVEOB-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO CCN(CC#N)Cc1cn2cc(C)ccc2[nH+]1 ZINC000118001819 384187302 /nfs/dbraw/zinc/18/73/02/384187302.db2.gz JSMVBXQMZCFECT-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO C#CCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000367007747 533048727 /nfs/dbraw/zinc/04/87/27/533048727.db2.gz SLMUPASOKBUVCL-LLVKDONJSA-N 1 2 219.288 1.928 20 30 BDEDLO C#CCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000367007747 533048730 /nfs/dbraw/zinc/04/87/30/533048730.db2.gz SLMUPASOKBUVCL-LLVKDONJSA-N 1 2 219.288 1.928 20 30 BDEDLO C#CCC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000371188477 533049454 /nfs/dbraw/zinc/04/94/54/533049454.db2.gz LGCAOTQTYYWTAA-JTQLQIEISA-N 1 2 249.339 1.569 20 30 BDEDLO C#CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000371188477 533049459 /nfs/dbraw/zinc/04/94/59/533049459.db2.gz LGCAOTQTYYWTAA-JTQLQIEISA-N 1 2 249.339 1.569 20 30 BDEDLO Cc1cc(C#N)c(=O)n(CC[C@@H]2CC[NH2+]C2)c1 ZINC000335447869 384290597 /nfs/dbraw/zinc/29/05/97/384290597.db2.gz RWDPRCPVHTZDIE-NSHDSACASA-N 1 2 231.299 1.028 20 30 BDEDLO Cc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)c(C#N)c[nH+]1 ZINC000335508721 384295546 /nfs/dbraw/zinc/29/55/46/384295546.db2.gz AEDJNSKRGNTCNL-PEGIJTEDSA-N 1 2 213.284 1.894 20 30 BDEDLO C=C(Br)C[N@@H+](C)[C@@H](C)CO ZINC000158871389 384297461 /nfs/dbraw/zinc/29/74/61/384297461.db2.gz QYZIYPDNSAPKKZ-ZETCQYMHSA-N 1 2 208.099 1.208 20 30 BDEDLO C=C(Br)C[N@H+](C)[C@@H](C)CO ZINC000158871389 384297463 /nfs/dbraw/zinc/29/74/63/384297463.db2.gz QYZIYPDNSAPKKZ-ZETCQYMHSA-N 1 2 208.099 1.208 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)oc1C ZINC000490763340 384388861 /nfs/dbraw/zinc/38/88/61/384388861.db2.gz PWBDYGIIMGPVNK-UHFFFAOYSA-N 1 2 245.278 1.443 20 30 BDEDLO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)nn1 ZINC000385509906 384527359 /nfs/dbraw/zinc/52/73/59/384527359.db2.gz WISGZFNLAKYEQJ-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000491382053 384614734 /nfs/dbraw/zinc/61/47/34/384614734.db2.gz HILULLSKCWKFSK-ZYHUDNBSSA-N 1 2 233.315 1.362 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000491382053 384614742 /nfs/dbraw/zinc/61/47/42/384614742.db2.gz HILULLSKCWKFSK-ZYHUDNBSSA-N 1 2 233.315 1.362 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1cccc(C#N)n1)CC2 ZINC000363702616 384669214 /nfs/dbraw/zinc/66/92/14/384669214.db2.gz RRXZPYGDNOTIML-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)cn1 ZINC000491405105 384724924 /nfs/dbraw/zinc/72/49/24/384724924.db2.gz GQZCKQFOKSQAAQ-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)cn1 ZINC000491405105 384724934 /nfs/dbraw/zinc/72/49/34/384724934.db2.gz GQZCKQFOKSQAAQ-UHFFFAOYSA-N 1 2 216.259 1.679 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CCSC1=S ZINC000306560255 384777278 /nfs/dbraw/zinc/77/72/78/384777278.db2.gz RFGCOLWBODIPBF-QMMMGPOBSA-N 1 2 214.359 1.231 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CCSC1=S ZINC000306560255 384777284 /nfs/dbraw/zinc/77/72/84/384777284.db2.gz RFGCOLWBODIPBF-QMMMGPOBSA-N 1 2 214.359 1.231 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(OC)s1 ZINC000379892389 384800033 /nfs/dbraw/zinc/80/00/33/384800033.db2.gz BBFAXLKLVILBPL-QMMMGPOBSA-N 1 2 225.317 1.934 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449668676 384873406 /nfs/dbraw/zinc/87/34/06/384873406.db2.gz WTBKJAAPTRCCPX-SRVKXCTJSA-N 1 2 238.331 1.998 20 30 BDEDLO CCc1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000186790660 384882631 /nfs/dbraw/zinc/88/26/31/384882631.db2.gz YRCBUOGKFQPDMF-UHFFFAOYSA-N 1 2 222.288 1.420 20 30 BDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CCC#N)C1 ZINC000156600094 384902702 /nfs/dbraw/zinc/90/27/02/384902702.db2.gz SFSYNIYIZQQELJ-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000156600094 384902709 /nfs/dbraw/zinc/90/27/09/384902709.db2.gz SFSYNIYIZQQELJ-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO C=CCOCC[NH2+]C(CC)(CC)C(=O)OC ZINC000339085500 384966804 /nfs/dbraw/zinc/96/68/04/384966804.db2.gz MZLRYNNEHROLIN-UHFFFAOYSA-N 1 2 229.320 1.510 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CC1 ZINC000516661128 385056853 /nfs/dbraw/zinc/05/68/53/385056853.db2.gz HYHXUPCWTBKDNS-VIFPVBQESA-N 1 2 232.287 1.008 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CC1 ZINC000516661128 385056858 /nfs/dbraw/zinc/05/68/58/385056858.db2.gz HYHXUPCWTBKDNS-VIFPVBQESA-N 1 2 232.287 1.008 20 30 BDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000157062661 385061988 /nfs/dbraw/zinc/06/19/88/385061988.db2.gz QYAOAYKWNOYFRK-JTQLQIEISA-N 1 2 219.292 1.256 20 30 BDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000157062661 385061996 /nfs/dbraw/zinc/06/19/96/385061996.db2.gz QYAOAYKWNOYFRK-JTQLQIEISA-N 1 2 219.292 1.256 20 30 BDEDLO C=CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000165342020 385113245 /nfs/dbraw/zinc/11/32/45/385113245.db2.gz XWCVXWALODEZMJ-SECBINFHSA-N 1 2 200.282 1.522 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000644718314 385135694 /nfs/dbraw/zinc/13/56/94/385135694.db2.gz QDHBGYUDOAUFAS-LLVKDONJSA-N 1 2 247.342 1.916 20 30 BDEDLO N#C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000310521099 385098912 /nfs/dbraw/zinc/09/89/12/385098912.db2.gz LZGJMWSILUETNW-GHMZBOCLSA-N 1 2 232.287 1.082 20 30 BDEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000298077702 385102465 /nfs/dbraw/zinc/10/24/65/385102465.db2.gz VHZKPOFRUWQOAR-LLVKDONJSA-N 1 2 248.330 1.219 20 30 BDEDLO C#C[C@@H]1COCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000491568638 385156271 /nfs/dbraw/zinc/15/62/71/385156271.db2.gz RLFUVYRJJLQZRZ-GFCCVEGCSA-N 1 2 243.310 1.501 20 30 BDEDLO N#CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000129936335 385202460 /nfs/dbraw/zinc/20/24/60/385202460.db2.gz SHFCDABVFQRDJX-UHFFFAOYSA-N 1 2 246.339 1.261 20 30 BDEDLO Cc1cnc(C[NH+]2CCC(C#N)CC2)o1 ZINC000408427071 385231570 /nfs/dbraw/zinc/23/15/70/385231570.db2.gz ZCYPMANXSJZBDR-UHFFFAOYSA-N 1 2 205.261 1.719 20 30 BDEDLO CCN(CC)c1ccc(CNC(=O)CC#N)c[nH+]1 ZINC000153594107 385268935 /nfs/dbraw/zinc/26/89/35/385268935.db2.gz GJWLDHMXMMVGLO-UHFFFAOYSA-N 1 2 246.314 1.458 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(N)=O ZINC000298265151 385282554 /nfs/dbraw/zinc/28/25/54/385282554.db2.gz WCCNUNXIMHNPBL-JTQLQIEISA-N 1 2 234.274 1.135 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(N)=O ZINC000298265151 385282559 /nfs/dbraw/zinc/28/25/59/385282559.db2.gz WCCNUNXIMHNPBL-JTQLQIEISA-N 1 2 234.274 1.135 20 30 BDEDLO Cc1nsc(N2CCn3c[nH+]cc3C2)c1C#N ZINC000290771854 385287515 /nfs/dbraw/zinc/28/75/15/385287515.db2.gz VLVBZWSBQPNMPK-UHFFFAOYSA-N 1 2 245.311 1.540 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000491694066 385515073 /nfs/dbraw/zinc/51/50/73/385515073.db2.gz ADRBBKZHTNLABH-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000491694066 385515077 /nfs/dbraw/zinc/51/50/77/385515077.db2.gz ADRBBKZHTNLABH-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc2c1OCCO2 ZINC000054180716 385600297 /nfs/dbraw/zinc/60/02/97/385600297.db2.gz MADAORCHBINVQS-JTQLQIEISA-N 1 2 232.283 1.707 20 30 BDEDLO Cc1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595612032 385634224 /nfs/dbraw/zinc/63/42/24/385634224.db2.gz RTPLALWEKGAONA-SNVBAGLBSA-N 1 2 220.276 1.504 20 30 BDEDLO Cc1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595612032 385634229 /nfs/dbraw/zinc/63/42/29/385634229.db2.gz RTPLALWEKGAONA-SNVBAGLBSA-N 1 2 220.276 1.504 20 30 BDEDLO CC(C)(C)[N@H+](CC(N)=O)CC1(C#N)CC1 ZINC000331752472 385898046 /nfs/dbraw/zinc/89/80/46/385898046.db2.gz KQTQJOOLEUQRFP-UHFFFAOYSA-N 1 2 209.293 1.926 20 30 BDEDLO CC(C)(C)[N@@H+](CC(N)=O)CC1(C#N)CC1 ZINC000331752472 385898049 /nfs/dbraw/zinc/89/80/49/385898049.db2.gz KQTQJOOLEUQRFP-UHFFFAOYSA-N 1 2 209.293 1.926 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790665 533149306 /nfs/dbraw/zinc/14/93/06/533149306.db2.gz AUHQXAMXQYQLBS-ONGXEEELSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790665 533149309 /nfs/dbraw/zinc/14/93/09/533149309.db2.gz AUHQXAMXQYQLBS-ONGXEEELSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790662 533149951 /nfs/dbraw/zinc/14/99/51/533149951.db2.gz AUHQXAMXQYQLBS-GXSJLCMTSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790662 533149958 /nfs/dbraw/zinc/14/99/58/533149958.db2.gz AUHQXAMXQYQLBS-GXSJLCMTSA-N 1 2 237.303 1.061 20 30 BDEDLO CC(C)[N@H+](Cc1ccc(C#N)o1)C1COC1 ZINC000296161706 386143116 /nfs/dbraw/zinc/14/31/16/386143116.db2.gz WNESNCVHKZCAKG-UHFFFAOYSA-N 1 2 220.272 1.760 20 30 BDEDLO CC(C)[N@@H+](Cc1ccc(C#N)o1)C1COC1 ZINC000296161706 386143124 /nfs/dbraw/zinc/14/31/24/386143124.db2.gz WNESNCVHKZCAKG-UHFFFAOYSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000347138463 386258886 /nfs/dbraw/zinc/25/88/86/386258886.db2.gz QTASGBHSTUZMCM-VHSXEESVSA-N 1 2 232.287 1.275 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nncn1C ZINC000347255898 386307077 /nfs/dbraw/zinc/30/70/77/386307077.db2.gz VPNFOLXLDIATRH-JTQLQIEISA-N 1 2 224.308 1.011 20 30 BDEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nncn1C ZINC000347255898 386307084 /nfs/dbraw/zinc/30/70/84/386307084.db2.gz VPNFOLXLDIATRH-JTQLQIEISA-N 1 2 224.308 1.011 20 30 BDEDLO CC[C@](C)(C(=O)OC)[N@H+](CCC#N)CC1CC1 ZINC000425518176 386308572 /nfs/dbraw/zinc/30/85/72/386308572.db2.gz YCZQPJCZBXYMFI-CYBMUJFWSA-N 1 2 238.331 1.954 20 30 BDEDLO CC[C@](C)(C(=O)OC)[N@@H+](CCC#N)CC1CC1 ZINC000425518176 386308578 /nfs/dbraw/zinc/30/85/78/386308578.db2.gz YCZQPJCZBXYMFI-CYBMUJFWSA-N 1 2 238.331 1.954 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000645404312 386469531 /nfs/dbraw/zinc/46/95/31/386469531.db2.gz DXCFEOSWXULPPC-NSHDSACASA-N 1 2 219.288 1.225 20 30 BDEDLO C=CCN(CCOC)c1cc(C)[nH+]c(CC)n1 ZINC000343231590 386513826 /nfs/dbraw/zinc/51/38/26/386513826.db2.gz ZRWNYUAZLUWUKR-UHFFFAOYSA-N 1 2 235.331 1.986 20 30 BDEDLO CC#CC[C@@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000645405052 386466003 /nfs/dbraw/zinc/46/60/03/386466003.db2.gz XWNNDEYPIONMKO-JTQLQIEISA-N 1 2 244.298 1.453 20 30 BDEDLO Cc1ncoc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328925814 386656551 /nfs/dbraw/zinc/65/65/51/386656551.db2.gz DZNWOHSGRRODGL-QMMMGPOBSA-N 1 2 246.270 1.568 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328838054 386630247 /nfs/dbraw/zinc/63/02/47/386630247.db2.gz TXGPTFOBQHESBF-NXEZZACHSA-N 1 2 219.288 1.341 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328838054 386630252 /nfs/dbraw/zinc/63/02/52/386630252.db2.gz TXGPTFOBQHESBF-NXEZZACHSA-N 1 2 219.288 1.341 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000328876177 386640779 /nfs/dbraw/zinc/64/07/79/386640779.db2.gz ZQDWUHVJLCWACJ-RAIGVLPGSA-N 1 2 248.326 1.359 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000328876177 386640785 /nfs/dbraw/zinc/64/07/85/386640785.db2.gz ZQDWUHVJLCWACJ-RAIGVLPGSA-N 1 2 248.326 1.359 20 30 BDEDLO O=C(C[C@@H]1CCCO1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328919770 386653118 /nfs/dbraw/zinc/65/31/18/386653118.db2.gz BSXBOOYKJSDPAQ-UWVGGRQHSA-N 1 2 249.314 1.793 20 30 BDEDLO O=C(C[C@@H]1CCCO1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328919770 386653122 /nfs/dbraw/zinc/65/31/22/386653122.db2.gz BSXBOOYKJSDPAQ-UWVGGRQHSA-N 1 2 249.314 1.793 20 30 BDEDLO C=C(Br)C[NH2+][C@H](C)c1nncn1C ZINC000050418959 386671171 /nfs/dbraw/zinc/67/11/71/386671171.db2.gz XBPDIKJQIDXRAX-SSDOTTSWSA-N 1 2 245.124 1.374 20 30 BDEDLO CC[N@H+](CCC#N)CC1CCS(=O)(=O)CC1 ZINC000330363852 386675020 /nfs/dbraw/zinc/67/50/20/386675020.db2.gz VYYGUCHLXQZNJU-UHFFFAOYSA-N 1 2 244.360 1.047 20 30 BDEDLO CC[N@@H+](CCC#N)CC1CCS(=O)(=O)CC1 ZINC000330363852 386675024 /nfs/dbraw/zinc/67/50/24/386675024.db2.gz VYYGUCHLXQZNJU-UHFFFAOYSA-N 1 2 244.360 1.047 20 30 BDEDLO Cc1ncoc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328925814 386656557 /nfs/dbraw/zinc/65/65/57/386656557.db2.gz DZNWOHSGRRODGL-QMMMGPOBSA-N 1 2 246.270 1.568 20 30 BDEDLO C=CCOCCN1CCn2cc(C)[nH+]c2C1 ZINC000645117545 386730779 /nfs/dbraw/zinc/73/07/79/386730779.db2.gz VGQNOYRJVUKWAE-UHFFFAOYSA-N 1 2 221.304 1.210 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000348525643 386749635 /nfs/dbraw/zinc/74/96/35/386749635.db2.gz PBLKTPKDVRJFHD-LBPRGKRZSA-N 1 2 229.283 1.073 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000348525643 386749643 /nfs/dbraw/zinc/74/96/43/386749643.db2.gz PBLKTPKDVRJFHD-LBPRGKRZSA-N 1 2 229.283 1.073 20 30 BDEDLO CC#CC(=O)NCCCNc1cccc[nH+]1 ZINC000283172026 386818151 /nfs/dbraw/zinc/81/81/51/386818151.db2.gz KSXMCNJDGYMDQR-UHFFFAOYSA-N 1 2 217.272 1.023 20 30 BDEDLO CC(C)(CCC#N)C[N@@H+]1CCn2cnnc2C1 ZINC000330616150 386818596 /nfs/dbraw/zinc/81/85/96/386818596.db2.gz UZRSPHXZRNJACQ-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO CC(C)(CCC#N)C[N@H+]1CCn2cnnc2C1 ZINC000330616150 386818601 /nfs/dbraw/zinc/81/86/01/386818601.db2.gz UZRSPHXZRNJACQ-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO C=C(Br)C[N@@H+](C)C[C@@H](C)O ZINC000051822073 386870510 /nfs/dbraw/zinc/87/05/10/386870510.db2.gz JGHGOYKHBFPXJJ-SSDOTTSWSA-N 1 2 208.099 1.208 20 30 BDEDLO C=C(Br)C[N@H+](C)C[C@@H](C)O ZINC000051822073 386870515 /nfs/dbraw/zinc/87/05/15/386870515.db2.gz JGHGOYKHBFPXJJ-SSDOTTSWSA-N 1 2 208.099 1.208 20 30 BDEDLO CC#CCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000368129737 386944535 /nfs/dbraw/zinc/94/45/35/386944535.db2.gz UHDVCVNDAFAGDL-SNVBAGLBSA-N 1 2 205.261 1.620 20 30 BDEDLO CC#CCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000368129737 386944539 /nfs/dbraw/zinc/94/45/39/386944539.db2.gz UHDVCVNDAFAGDL-SNVBAGLBSA-N 1 2 205.261 1.620 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)no1 ZINC000331140547 386970188 /nfs/dbraw/zinc/97/01/88/386970188.db2.gz LYTDKZKAEZMOBC-NSHDSACASA-N 1 2 249.314 1.962 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)no1 ZINC000331140547 386970189 /nfs/dbraw/zinc/97/01/89/386970189.db2.gz LYTDKZKAEZMOBC-NSHDSACASA-N 1 2 249.314 1.962 20 30 BDEDLO C#CC[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000368537211 533207046 /nfs/dbraw/zinc/20/70/46/533207046.db2.gz HKQOIWGNSREBIB-SNVBAGLBSA-N 1 2 230.315 1.288 20 30 BDEDLO C#CC[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000368537211 533207051 /nfs/dbraw/zinc/20/70/51/533207051.db2.gz HKQOIWGNSREBIB-SNVBAGLBSA-N 1 2 230.315 1.288 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000334963945 387045398 /nfs/dbraw/zinc/04/53/98/387045398.db2.gz LZCSGARPJFVRQE-GFCCVEGCSA-N 1 2 247.342 1.377 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000334963945 387045401 /nfs/dbraw/zinc/04/54/01/387045401.db2.gz LZCSGARPJFVRQE-GFCCVEGCSA-N 1 2 247.342 1.377 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N(C)CC(C)(C)C#N ZINC000334979662 387066792 /nfs/dbraw/zinc/06/67/92/387066792.db2.gz RGSFFHKEHGYNJZ-UHFFFAOYSA-N 1 2 246.314 1.825 20 30 BDEDLO CC[C@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399619592 387050002 /nfs/dbraw/zinc/05/00/02/387050002.db2.gz YNPHFHNWBFFWEN-LLVKDONJSA-N 1 2 219.288 1.521 20 30 BDEDLO Cc1c(CNc2cc(C)[nH+]cc2C#N)cnn1C ZINC000399634793 387057827 /nfs/dbraw/zinc/05/78/27/387057827.db2.gz HSBJAICFMVDJKF-UHFFFAOYSA-N 1 2 241.298 1.338 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC)co1 ZINC000228171481 387078921 /nfs/dbraw/zinc/07/89/21/387078921.db2.gz ATTJPROTLGOVPW-SNVBAGLBSA-N 1 2 236.271 1.848 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228491915 387088872 /nfs/dbraw/zinc/08/88/72/387088872.db2.gz FDBAMACPATTXIL-XQQFMLRXSA-N 1 2 222.332 1.916 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228491915 387088876 /nfs/dbraw/zinc/08/88/76/387088876.db2.gz FDBAMACPATTXIL-XQQFMLRXSA-N 1 2 222.332 1.916 20 30 BDEDLO CCN1CC[N@H+](CCCC#N)C(C)(C)C1=O ZINC000186558170 387110434 /nfs/dbraw/zinc/11/04/34/387110434.db2.gz YOPQQQHUKFEPLI-UHFFFAOYSA-N 1 2 223.320 1.233 20 30 BDEDLO CCN1CC[N@@H+](CCCC#N)C(C)(C)C1=O ZINC000186558170 387110439 /nfs/dbraw/zinc/11/04/39/387110439.db2.gz YOPQQQHUKFEPLI-UHFFFAOYSA-N 1 2 223.320 1.233 20 30 BDEDLO COC(=O)c1coc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418143478 387167203 /nfs/dbraw/zinc/16/72/03/387167203.db2.gz POWHUKZAJHCJGD-UHFFFAOYSA-N 1 2 248.282 1.850 20 30 BDEDLO Cc1cc(C[NH+]2CCC(F)(C#N)CC2)on1 ZINC000352481311 387248844 /nfs/dbraw/zinc/24/88/44/387248844.db2.gz FDURELOWNSFRAU-UHFFFAOYSA-N 1 2 223.251 1.811 20 30 BDEDLO CC[C@@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000514676070 387283951 /nfs/dbraw/zinc/28/39/51/387283951.db2.gz QBVZUDWCGOTQRV-ZJUUUORDSA-N 1 2 220.276 1.253 20 30 BDEDLO CCC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191379612 387386638 /nfs/dbraw/zinc/38/66/38/387386638.db2.gz NCKKCKMUFXWWKQ-CQSZACIVSA-N 1 2 247.342 1.898 20 30 BDEDLO CCC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191379612 387386642 /nfs/dbraw/zinc/38/66/42/387386642.db2.gz NCKKCKMUFXWWKQ-CQSZACIVSA-N 1 2 247.342 1.898 20 30 BDEDLO C=C(Cl)CNC(=O)NCCCn1cc[nH+]c1 ZINC000265592040 387397512 /nfs/dbraw/zinc/39/75/12/387397512.db2.gz UNQSBADKHRWMNL-UHFFFAOYSA-N 1 2 242.710 1.325 20 30 BDEDLO C=CCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265756836 387400184 /nfs/dbraw/zinc/40/01/84/387400184.db2.gz KTINYMNZTGUIOB-LLVKDONJSA-N 1 2 221.304 1.602 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000274999035 387498580 /nfs/dbraw/zinc/49/85/80/387498580.db2.gz PJPGUVWBOYMOFG-GHMZBOCLSA-N 1 2 209.289 1.283 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000274999035 387498585 /nfs/dbraw/zinc/49/85/85/387498585.db2.gz PJPGUVWBOYMOFG-GHMZBOCLSA-N 1 2 209.289 1.283 20 30 BDEDLO C#CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000273972486 387463839 /nfs/dbraw/zinc/46/38/39/387463839.db2.gz SIVZYDHJDGVZIR-NSHDSACASA-N 1 2 246.314 1.079 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000278395292 387553022 /nfs/dbraw/zinc/55/30/22/387553022.db2.gz AYPISQFKJXTVBO-ZYHUDNBSSA-N 1 2 249.314 1.018 20 30 BDEDLO C=C[C@](C)(O)CC(=O)Nc1c[nH+]ccc1OC ZINC000279154699 387562010 /nfs/dbraw/zinc/56/20/10/387562010.db2.gz FOHOJMIXEGEKQF-LBPRGKRZSA-N 1 2 236.271 1.356 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCCCC1 ZINC000042454428 387627800 /nfs/dbraw/zinc/62/78/00/387627800.db2.gz QHKBJLBPBFNNEG-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCCCC1 ZINC000042454428 387627803 /nfs/dbraw/zinc/62/78/03/387627803.db2.gz QHKBJLBPBFNNEG-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO C=CCC(C)(C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000432153694 387766453 /nfs/dbraw/zinc/76/64/53/387766453.db2.gz FIUSIPNEGNMAKM-UHFFFAOYSA-N 1 2 249.362 1.682 20 30 BDEDLO C=CCC(C)(C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000432153694 387766455 /nfs/dbraw/zinc/76/64/55/387766455.db2.gz FIUSIPNEGNMAKM-UHFFFAOYSA-N 1 2 249.362 1.682 20 30 BDEDLO CCOCC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000444644390 387898654 /nfs/dbraw/zinc/89/86/54/387898654.db2.gz XQEKMMXPZOYENY-CYBMUJFWSA-N 1 2 240.347 1.542 20 30 BDEDLO CCOCC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000444644390 387898655 /nfs/dbraw/zinc/89/86/55/387898655.db2.gz XQEKMMXPZOYENY-CYBMUJFWSA-N 1 2 240.347 1.542 20 30 BDEDLO C=CCCC[C@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444675104 387906681 /nfs/dbraw/zinc/90/66/81/387906681.db2.gz MHRFBXXYQMQIAY-UONOGXRCSA-N 1 2 240.391 1.730 20 30 BDEDLO C=CCOc1cccc(C[N@@H+](C)CC(=O)OC)c1 ZINC000179394138 387929616 /nfs/dbraw/zinc/92/96/16/387929616.db2.gz NCPGVEXYMGZLEB-UHFFFAOYSA-N 1 2 249.310 1.856 20 30 BDEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)OC)c1 ZINC000179394138 387929621 /nfs/dbraw/zinc/92/96/21/387929621.db2.gz NCPGVEXYMGZLEB-UHFFFAOYSA-N 1 2 249.310 1.856 20 30 BDEDLO CC(C)[N@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000178672238 387926298 /nfs/dbraw/zinc/92/62/98/387926298.db2.gz VSGWARRJGWSPNS-UHFFFAOYSA-N 1 2 248.301 1.373 20 30 BDEDLO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000178672238 387926309 /nfs/dbraw/zinc/92/63/09/387926309.db2.gz VSGWARRJGWSPNS-UHFFFAOYSA-N 1 2 248.301 1.373 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cncs2)nn1 ZINC000424297079 387958503 /nfs/dbraw/zinc/95/85/03/387958503.db2.gz PVDDMDCVETXIIA-SECBINFHSA-N 1 2 249.343 1.771 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cncs2)nn1 ZINC000424297080 387958678 /nfs/dbraw/zinc/95/86/78/387958678.db2.gz PVDDMDCVETXIIA-VIFPVBQESA-N 1 2 249.343 1.771 20 30 BDEDLO C[N@H+](CCOCCC#N)Cc1ccon1 ZINC000339003645 135051934 /nfs/dbraw/zinc/05/19/34/135051934.db2.gz LIQMCKPUPBXGFJ-UHFFFAOYSA-N 1 2 209.249 1.037 20 30 BDEDLO C[N@@H+](CCOCCC#N)Cc1ccon1 ZINC000339003645 135051936 /nfs/dbraw/zinc/05/19/36/135051936.db2.gz LIQMCKPUPBXGFJ-UHFFFAOYSA-N 1 2 209.249 1.037 20 30 BDEDLO C=CCCCNC(=O)NCc1[nH+]ccn1C ZINC000447964384 388105262 /nfs/dbraw/zinc/10/52/62/388105262.db2.gz QASZZLHCAGETOK-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C=C(CC)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000454846348 388136654 /nfs/dbraw/zinc/13/66/54/388136654.db2.gz ZGCICANQLDAXGM-NSHDSACASA-N 1 2 248.330 1.463 20 30 BDEDLO C=CCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449656934 388249409 /nfs/dbraw/zinc/24/94/09/388249409.db2.gz NBGCKIRCNYLRJQ-VIFPVBQESA-N 1 2 232.274 1.314 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OCC ZINC000449658026 388249934 /nfs/dbraw/zinc/24/99/34/388249934.db2.gz RWJWHGQYHFQYOR-GHMZBOCLSA-N 1 2 227.304 1.263 20 30 BDEDLO C#CCN(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490739566 388251322 /nfs/dbraw/zinc/25/13/22/388251322.db2.gz JCWFWZFEBFMVRJ-UHFFFAOYSA-N 1 2 241.294 1.587 20 30 BDEDLO C#CC[N@H+](CC#CC)C/C=C(/C)C(=O)OC ZINC000490779240 388254308 /nfs/dbraw/zinc/25/43/08/388254308.db2.gz UEMKSQFPWCUJCX-WQLSENKSSA-N 1 2 219.284 1.064 20 30 BDEDLO C#CC[N@@H+](CC#CC)C/C=C(/C)C(=O)OC ZINC000490779240 388254309 /nfs/dbraw/zinc/25/43/09/388254309.db2.gz UEMKSQFPWCUJCX-WQLSENKSSA-N 1 2 219.284 1.064 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488589252 388189761 /nfs/dbraw/zinc/18/97/61/388189761.db2.gz BXFQHVSMCIUFNQ-GHMZBOCLSA-N 1 2 248.330 1.462 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456811707 388223722 /nfs/dbraw/zinc/22/37/22/388223722.db2.gz KDWSUCFCHOXZQS-SNVBAGLBSA-N 1 2 233.315 1.912 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000456811707 388223724 /nfs/dbraw/zinc/22/37/24/388223724.db2.gz KDWSUCFCHOXZQS-SNVBAGLBSA-N 1 2 233.315 1.912 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCSCCOC ZINC000491404739 388292489 /nfs/dbraw/zinc/29/24/89/388292489.db2.gz DVZZOXGVCRHXAT-GFCCVEGCSA-N 1 2 243.372 1.090 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCSCCOC ZINC000491404739 388292490 /nfs/dbraw/zinc/29/24/90/388292490.db2.gz DVZZOXGVCRHXAT-GFCCVEGCSA-N 1 2 243.372 1.090 20 30 BDEDLO C#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000491419564 388293411 /nfs/dbraw/zinc/29/34/11/388293411.db2.gz VEKXULWGUCGZAZ-ISALQUGTSA-N 1 2 217.272 1.197 20 30 BDEDLO C#CC[N@@H+](CCC(=C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491440704 388294983 /nfs/dbraw/zinc/29/49/83/388294983.db2.gz QVLPWYGRNUTGGK-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CCC(=C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491440704 388294984 /nfs/dbraw/zinc/29/49/84/388294984.db2.gz QVLPWYGRNUTGGK-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000491497742 388299144 /nfs/dbraw/zinc/29/91/44/388299144.db2.gz ZUFXUXDITKAINN-NSHDSACASA-N 1 2 244.294 1.814 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000491497742 388299146 /nfs/dbraw/zinc/29/91/46/388299146.db2.gz ZUFXUXDITKAINN-NSHDSACASA-N 1 2 244.294 1.814 20 30 BDEDLO C=CCOCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451846368 388300427 /nfs/dbraw/zinc/30/04/27/388300427.db2.gz YJMFFMUWNZNQHU-SNVBAGLBSA-N 1 2 237.290 1.527 20 30 BDEDLO C=CCOCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451846368 388300429 /nfs/dbraw/zinc/30/04/29/388300429.db2.gz YJMFFMUWNZNQHU-SNVBAGLBSA-N 1 2 237.290 1.527 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000491618053 388305117 /nfs/dbraw/zinc/30/51/17/388305117.db2.gz BYBLBWWFEKXGQV-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000491618053 388305118 /nfs/dbraw/zinc/30/51/18/388305118.db2.gz BYBLBWWFEKXGQV-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000491618051 388305297 /nfs/dbraw/zinc/30/52/97/388305297.db2.gz BYBLBWWFEKXGQV-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000491618051 388305298 /nfs/dbraw/zinc/30/52/98/388305298.db2.gz BYBLBWWFEKXGQV-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000491626608 388305878 /nfs/dbraw/zinc/30/58/78/388305878.db2.gz KDLTVOUUQDBCOO-LLVKDONJSA-N 1 2 205.305 1.918 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000491626608 388305879 /nfs/dbraw/zinc/30/58/79/388305879.db2.gz KDLTVOUUQDBCOO-LLVKDONJSA-N 1 2 205.305 1.918 20 30 BDEDLO C#C[C@@H](CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491628143 388306241 /nfs/dbraw/zinc/30/62/41/388306241.db2.gz LGTQALUYHZZHCB-QWRGUYRKSA-N 1 2 219.288 1.362 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(COC)on1 ZINC000491629117 388306444 /nfs/dbraw/zinc/30/64/44/388306444.db2.gz MUQLNXJEBSDOMJ-SECBINFHSA-N 1 2 208.261 1.275 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(COC)on1 ZINC000491629117 388306445 /nfs/dbraw/zinc/30/64/45/388306445.db2.gz MUQLNXJEBSDOMJ-SECBINFHSA-N 1 2 208.261 1.275 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](C2CC2)CC1=O ZINC000491644072 388307658 /nfs/dbraw/zinc/30/76/58/388307658.db2.gz IOUMACOKNKOCJL-CMPLNLGQSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](C2CC2)CC1=O ZINC000491644072 388307659 /nfs/dbraw/zinc/30/76/59/388307659.db2.gz IOUMACOKNKOCJL-CMPLNLGQSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CCC1(C)C ZINC000491668403 388309652 /nfs/dbraw/zinc/30/96/52/388309652.db2.gz MQLBXCASFZUARU-SNVBAGLBSA-N 1 2 208.305 1.298 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CCC1(C)C ZINC000491668403 388309653 /nfs/dbraw/zinc/30/96/53/388309653.db2.gz MQLBXCASFZUARU-SNVBAGLBSA-N 1 2 208.305 1.298 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CCC1(C)C ZINC000491668390 388309694 /nfs/dbraw/zinc/30/96/94/388309694.db2.gz MQLBXCASFZUARU-JTQLQIEISA-N 1 2 208.305 1.298 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CCC1(C)C ZINC000491668390 388309695 /nfs/dbraw/zinc/30/96/95/388309695.db2.gz MQLBXCASFZUARU-JTQLQIEISA-N 1 2 208.305 1.298 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000491682543 388310620 /nfs/dbraw/zinc/31/06/20/388310620.db2.gz SGGGYBQKZZUVKK-UHFFFAOYSA-N 1 2 248.301 1.590 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000491693016 388311361 /nfs/dbraw/zinc/31/13/61/388311361.db2.gz CHTVUJDBHXYRJF-GXFFZTMASA-N 1 2 236.315 1.073 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000491693016 388311362 /nfs/dbraw/zinc/31/13/62/388311362.db2.gz CHTVUJDBHXYRJF-GXFFZTMASA-N 1 2 236.315 1.073 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000491701595 388312653 /nfs/dbraw/zinc/31/26/53/388312653.db2.gz USQSQECBDNQKTM-SNVBAGLBSA-N 1 2 240.310 1.496 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000491701595 388312654 /nfs/dbraw/zinc/31/26/54/388312654.db2.gz USQSQECBDNQKTM-SNVBAGLBSA-N 1 2 240.310 1.496 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000491711839 388313865 /nfs/dbraw/zinc/31/38/65/388313865.db2.gz WUEJTVVYZHAKRU-SRVKXCTJSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000491711839 388313866 /nfs/dbraw/zinc/31/38/66/388313866.db2.gz WUEJTVVYZHAKRU-SRVKXCTJSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000491725767 388315009 /nfs/dbraw/zinc/31/50/09/388315009.db2.gz BWKLZJPCCSRHKU-SNVBAGLBSA-N 1 2 234.274 1.718 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000491725767 388315010 /nfs/dbraw/zinc/31/50/10/388315010.db2.gz BWKLZJPCCSRHKU-SNVBAGLBSA-N 1 2 234.274 1.718 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491728028 388315396 /nfs/dbraw/zinc/31/53/96/388315396.db2.gz HZKUEKFRPZZJMF-MNOVXSKESA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491728028 388315397 /nfs/dbraw/zinc/31/53/97/388315397.db2.gz HZKUEKFRPZZJMF-MNOVXSKESA-N 1 2 233.315 1.506 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000491736119 388316370 /nfs/dbraw/zinc/31/63/70/388316370.db2.gz UTWATOFCXWALOC-UHFFFAOYSA-N 1 2 239.278 1.738 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1ccccc1 ZINC000491750150 388317655 /nfs/dbraw/zinc/31/76/55/388317655.db2.gz HMAQYLFKHMQMRN-OAHLLOKOSA-N 1 2 229.323 1.953 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCc1ccccc1 ZINC000491750150 388317656 /nfs/dbraw/zinc/31/76/56/388317656.db2.gz HMAQYLFKHMQMRN-OAHLLOKOSA-N 1 2 229.323 1.953 20 30 BDEDLO C#CC[N@H+](Cc1cn2ccsc2n1)C1CC1 ZINC000491774513 388319622 /nfs/dbraw/zinc/31/96/22/388319622.db2.gz DDNZPBHNXRSFLN-UHFFFAOYSA-N 1 2 231.324 1.993 20 30 BDEDLO C#CC[N@@H+](Cc1cn2ccsc2n1)C1CC1 ZINC000491774513 388319623 /nfs/dbraw/zinc/31/96/23/388319623.db2.gz DDNZPBHNXRSFLN-UHFFFAOYSA-N 1 2 231.324 1.993 20 30 BDEDLO C#C[C@H](CC)NC(=O)NCc1[nH+]ccn1CC ZINC000491780250 388320331 /nfs/dbraw/zinc/32/03/31/388320331.db2.gz KJCXVOCRNZDJRI-SNVBAGLBSA-N 1 2 234.303 1.114 20 30 BDEDLO C#CC[NH+](CC#C)Cc1oc(CC)nc1C ZINC000491804610 388321834 /nfs/dbraw/zinc/32/18/34/388321834.db2.gz MBRDFJQFVFZJTE-UHFFFAOYSA-N 1 2 216.284 1.614 20 30 BDEDLO C#C[C@@H](CC)NC(=O)NCCNc1cccc[nH+]1 ZINC000491806857 388321995 /nfs/dbraw/zinc/32/19/95/388321995.db2.gz RGXBYYOERFZSAO-NSHDSACASA-N 1 2 246.314 1.205 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000491807844 388322128 /nfs/dbraw/zinc/32/21/28/388322128.db2.gz TZEBEYPVMJBPOD-UHFFFAOYSA-N 1 2 203.289 1.665 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000491807844 388322129 /nfs/dbraw/zinc/32/21/29/388322129.db2.gz TZEBEYPVMJBPOD-UHFFFAOYSA-N 1 2 203.289 1.665 20 30 BDEDLO C#CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1CC1 ZINC000491812280 388323011 /nfs/dbraw/zinc/32/30/11/388323011.db2.gz HGGBHXSUTCKLAB-LLVKDONJSA-N 1 2 222.332 1.245 20 30 BDEDLO C#CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1CC1 ZINC000491812280 388323012 /nfs/dbraw/zinc/32/30/12/388323012.db2.gz HGGBHXSUTCKLAB-LLVKDONJSA-N 1 2 222.332 1.245 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCN(C)c1ccccc1 ZINC000491814447 388323320 /nfs/dbraw/zinc/32/33/20/388323320.db2.gz CYGRVVZROWGJAP-CQSZACIVSA-N 1 2 244.338 1.457 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCN(C)c1ccccc1 ZINC000491814447 388323321 /nfs/dbraw/zinc/32/33/21/388323321.db2.gz CYGRVVZROWGJAP-CQSZACIVSA-N 1 2 244.338 1.457 20 30 BDEDLO C#C[C@H](NC(=O)/C=C\c1[nH+]ccn1CC)C(C)C ZINC000490962130 388262316 /nfs/dbraw/zinc/26/23/16/388262316.db2.gz MITSKTNLDFTWLZ-KRZKBDHCSA-N 1 2 245.326 1.690 20 30 BDEDLO C#CC[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000491166611 388274407 /nfs/dbraw/zinc/27/44/07/388274407.db2.gz STAQAIRGYROWON-LLVKDONJSA-N 1 2 235.287 1.069 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nccn1C(F)F ZINC000491253618 388280305 /nfs/dbraw/zinc/28/03/05/388280305.db2.gz OOLQVGSDDMYRBY-QMMMGPOBSA-N 1 2 213.231 1.732 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000491253618 388280306 /nfs/dbraw/zinc/28/03/06/388280306.db2.gz OOLQVGSDDMYRBY-QMMMGPOBSA-N 1 2 213.231 1.732 20 30 BDEDLO COc1ncc(C[NH2+]CCC#N)cc1Cl ZINC000573111927 388421157 /nfs/dbraw/zinc/42/11/57/388421157.db2.gz WBXPBMZMYOGUFI-UHFFFAOYSA-N 1 2 225.679 1.747 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000548460740 388540762 /nfs/dbraw/zinc/54/07/62/388540762.db2.gz LIAUVKFPRQNAKA-NSHDSACASA-N 1 2 235.331 1.681 20 30 BDEDLO C/C(Cl)=C\C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000528517988 388540804 /nfs/dbraw/zinc/54/08/04/388540804.db2.gz JCJIRWIQHGZWNE-XCVCLJGOSA-N 1 2 241.722 1.187 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ncccc1Cl ZINC000528561807 388547339 /nfs/dbraw/zinc/54/73/39/388547339.db2.gz STHVMBMNZLDNRN-MRVPVSSYSA-N 1 2 212.680 1.372 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342689875 388498654 /nfs/dbraw/zinc/49/86/54/388498654.db2.gz FLVPESVGJIUOHS-UHFFFAOYSA-N 1 2 232.283 1.357 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342689875 388498658 /nfs/dbraw/zinc/49/86/58/388498658.db2.gz FLVPESVGJIUOHS-UHFFFAOYSA-N 1 2 232.283 1.357 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000516928801 388526483 /nfs/dbraw/zinc/52/64/83/388526483.db2.gz GOQQVLQNTRIUPA-UHFFFAOYSA-N 1 2 248.330 1.416 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)C/C=C(\C)Cl)C1=O ZINC000528496426 388534964 /nfs/dbraw/zinc/53/49/64/388534964.db2.gz NZFCJYOXPIDUCQ-UAWPZABVSA-N 1 2 242.750 1.848 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)C/C=C(\C)Cl)C1=O ZINC000528496426 388534968 /nfs/dbraw/zinc/53/49/68/388534968.db2.gz NZFCJYOXPIDUCQ-UAWPZABVSA-N 1 2 242.750 1.848 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C)nc1C ZINC000187104155 388605701 /nfs/dbraw/zinc/60/57/01/388605701.db2.gz ODXMTTQCDPFNKF-UHFFFAOYSA-N 1 2 212.296 1.767 20 30 BDEDLO CCCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044805 388565460 /nfs/dbraw/zinc/56/54/60/388565460.db2.gz WOLRNLBNYYDSIC-UHFFFAOYSA-N 1 2 223.320 1.138 20 30 BDEDLO CCCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044805 388565462 /nfs/dbraw/zinc/56/54/62/388565462.db2.gz WOLRNLBNYYDSIC-UHFFFAOYSA-N 1 2 223.320 1.138 20 30 BDEDLO Cn1c[nH+]c(CCNc2ncccc2C#N)c1 ZINC000313467629 388684284 /nfs/dbraw/zinc/68/42/84/388684284.db2.gz IDSSLUWSDNHUHH-UHFFFAOYSA-N 1 2 227.271 1.341 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C#N ZINC000276802523 388742791 /nfs/dbraw/zinc/74/27/91/388742791.db2.gz WAHSJRPGTDMABB-UONOGXRCSA-N 1 2 245.326 1.650 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C#N ZINC000276802523 388742792 /nfs/dbraw/zinc/74/27/92/388742792.db2.gz WAHSJRPGTDMABB-UONOGXRCSA-N 1 2 245.326 1.650 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ncccc2F)o1 ZINC000126160676 388690243 /nfs/dbraw/zinc/69/02/43/388690243.db2.gz VCSPESOTWNABHE-UHFFFAOYSA-N 1 2 231.230 1.975 20 30 BDEDLO C=CCCC(=O)NCCCCn1cc[nH+]c1 ZINC000522601286 388764296 /nfs/dbraw/zinc/76/42/96/388764296.db2.gz JFDBKPGLLDBXMF-UHFFFAOYSA-N 1 2 221.304 1.746 20 30 BDEDLO C#C[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000282341992 533255860 /nfs/dbraw/zinc/25/58/60/533255860.db2.gz VAWNNPROYNVYTQ-VXGBXAGGSA-N 1 2 248.330 1.229 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000533547736 322830074 /nfs/dbraw/zinc/83/00/74/322830074.db2.gz KRCNNGMEHFSXHT-QWRGUYRKSA-N 1 2 246.314 1.254 20 30 BDEDLO N#Cc1cccc(N2CCn3c[nH+]cc3C2)n1 ZINC000290800620 132217376 /nfs/dbraw/zinc/21/73/76/132217376.db2.gz YQLCMAYJLZAZPY-UHFFFAOYSA-N 1 2 225.255 1.170 20 30 BDEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000331513620 134000430 /nfs/dbraw/zinc/00/04/30/134000430.db2.gz LHAYGHNBPWLHLI-GFCCVEGCSA-N 1 2 236.315 1.708 20 30 BDEDLO COC(=O)[C@@]1(C)CCC[N@H+]1CC1(C#N)CCC1 ZINC000331513620 134000431 /nfs/dbraw/zinc/00/04/31/134000431.db2.gz LHAYGHNBPWLHLI-GFCCVEGCSA-N 1 2 236.315 1.708 20 30 BDEDLO N#CCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332406420 134004742 /nfs/dbraw/zinc/00/47/42/134004742.db2.gz YAEHTPBQFUAZGX-JTQLQIEISA-N 1 2 232.287 1.767 20 30 BDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC1(C#N)CCC1 ZINC000336190939 134123435 /nfs/dbraw/zinc/12/34/35/134123435.db2.gz ZYGGOPYEMKBJSZ-NSHDSACASA-N 1 2 235.331 1.137 20 30 BDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC1(C#N)CCC1 ZINC000336190939 134123436 /nfs/dbraw/zinc/12/34/36/134123436.db2.gz ZYGGOPYEMKBJSZ-NSHDSACASA-N 1 2 235.331 1.137 20 30 BDEDLO C=C(C)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336532499 134149184 /nfs/dbraw/zinc/14/91/84/134149184.db2.gz SBDRJRXFVPVKFD-SECBINFHSA-N 1 2 234.303 1.142 20 30 BDEDLO C=C(C)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336532499 134149185 /nfs/dbraw/zinc/14/91/85/134149185.db2.gz SBDRJRXFVPVKFD-SECBINFHSA-N 1 2 234.303 1.142 20 30 BDEDLO C[C@H]1C[C@@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000352714218 134151622 /nfs/dbraw/zinc/15/16/22/134151622.db2.gz BCRKJNYBMPQXTB-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H](CNC(=O)C1(C#N)CCC1)Cn1cc[nH+]c1 ZINC000353011740 134158858 /nfs/dbraw/zinc/15/88/58/134158858.db2.gz LZWNYOBPHJPLNT-LLVKDONJSA-N 1 2 246.314 1.329 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000354886861 134170535 /nfs/dbraw/zinc/17/05/35/134170535.db2.gz ZLONPNNWDJOPLI-GWCFXTLKSA-N 1 2 246.314 1.254 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000363106630 134215041 /nfs/dbraw/zinc/21/50/41/134215041.db2.gz SHTWSILGDQOSAL-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000363106630 134215042 /nfs/dbraw/zinc/21/50/42/134215042.db2.gz SHTWSILGDQOSAL-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000368585033 134219329 /nfs/dbraw/zinc/21/93/29/134219329.db2.gz XEIXLEXJUJHGEW-NSHDSACASA-N 1 2 245.326 1.623 20 30 BDEDLO C=C(C)COCC[NH2+][C@@H](CC)C(=O)OC ZINC000168607913 134231735 /nfs/dbraw/zinc/23/17/35/134231735.db2.gz HNUROTJEUXEWSQ-JTQLQIEISA-N 1 2 215.293 1.120 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000373530397 134234598 /nfs/dbraw/zinc/23/45/98/134234598.db2.gz QUSHKDZZHZMFQN-GFCCVEGCSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000373530397 134234599 /nfs/dbraw/zinc/23/45/99/134234599.db2.gz QUSHKDZZHZMFQN-GFCCVEGCSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373940340 134234969 /nfs/dbraw/zinc/23/49/69/134234969.db2.gz XODKOUDMKXNGCO-LLVKDONJSA-N 1 2 216.288 1.570 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373940340 134234970 /nfs/dbraw/zinc/23/49/70/134234970.db2.gz XODKOUDMKXNGCO-LLVKDONJSA-N 1 2 216.288 1.570 20 30 BDEDLO C=CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376425042 134242264 /nfs/dbraw/zinc/24/22/64/134242264.db2.gz HHMWXPWJEWEIGM-LLVKDONJSA-N 1 2 248.330 1.495 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000376810619 134243468 /nfs/dbraw/zinc/24/34/68/134243468.db2.gz JSCQNSAMRBFFMB-LBPRGKRZSA-N 1 2 245.326 1.938 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000181328409 134335577 /nfs/dbraw/zinc/33/55/77/134335577.db2.gz RVHHJHCQBOJRTO-UHFFFAOYSA-N 1 2 243.314 1.670 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000181328409 134335578 /nfs/dbraw/zinc/33/55/78/134335578.db2.gz RVHHJHCQBOJRTO-UHFFFAOYSA-N 1 2 243.314 1.670 20 30 BDEDLO Cc1cncc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000227301280 134377745 /nfs/dbraw/zinc/37/77/45/134377745.db2.gz LKZOCMFGOKKWQV-LLVKDONJSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cncc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000227301280 134377746 /nfs/dbraw/zinc/37/77/46/134377746.db2.gz LKZOCMFGOKKWQV-LLVKDONJSA-N 1 2 203.289 1.982 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069069600 134394000 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CCc1c[nH+]ccc1NC(=O)[C@]1(C#N)C[C@H]1C ZINC000336223780 536085980 /nfs/dbraw/zinc/08/59/80/536085980.db2.gz VTRGACVPQQJVCP-RNCFNFMXSA-N 1 2 229.283 1.554 20 30 BDEDLO C=CC[C@H](CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000340888106 534381587 /nfs/dbraw/zinc/38/15/87/534381587.db2.gz DUBGAPNANZWYMP-JTQLQIEISA-N 1 2 233.315 1.372 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369295936 534440601 /nfs/dbraw/zinc/44/06/01/534440601.db2.gz ZMOHLYGVKCTQPD-MNOVXSKESA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369295936 534440603 /nfs/dbraw/zinc/44/06/03/534440603.db2.gz ZMOHLYGVKCTQPD-MNOVXSKESA-N 1 2 231.723 1.619 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000362368988 534491293 /nfs/dbraw/zinc/49/12/93/534491293.db2.gz DODQLTDTKARYCR-NXEZZACHSA-N 1 2 222.292 1.145 20 30 BDEDLO CC[N@H+](CCCNC(=O)CC#N)c1ccccc1 ZINC000153498955 521012865 /nfs/dbraw/zinc/01/28/65/521012865.db2.gz JSCCYHFZQIHXBI-UHFFFAOYSA-N 1 2 245.326 1.933 20 30 BDEDLO CC[N@@H+](CCCNC(=O)CC#N)c1ccccc1 ZINC000153498955 521012874 /nfs/dbraw/zinc/01/28/74/521012874.db2.gz JSCCYHFZQIHXBI-UHFFFAOYSA-N 1 2 245.326 1.933 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC000339167509 534545765 /nfs/dbraw/zinc/54/57/65/534545765.db2.gz WZQZCPMORIAANA-GFCCVEGCSA-N 1 2 247.342 1.920 20 30 BDEDLO N#CCC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493526863 534593225 /nfs/dbraw/zinc/59/32/25/534593225.db2.gz RPIAYTIKYJFPGX-OWOJBTEDSA-N 1 2 244.298 1.575 20 30 BDEDLO C=CCCC(=O)NCCCNc1cccc[nH+]1 ZINC000115161593 534614249 /nfs/dbraw/zinc/61/42/49/534614249.db2.gz MZVRLSURKHYDPC-UHFFFAOYSA-N 1 2 233.315 1.966 20 30 BDEDLO N#CCC[N@@H+](CC(=O)N1CCCCC1)CC1CC1 ZINC000174692968 534632563 /nfs/dbraw/zinc/63/25/63/534632563.db2.gz DHGKWYXBCNMGSF-UHFFFAOYSA-N 1 2 249.358 1.625 20 30 BDEDLO N#CCC[N@H+](CC(=O)N1CCCCC1)CC1CC1 ZINC000174692968 534632566 /nfs/dbraw/zinc/63/25/66/534632566.db2.gz DHGKWYXBCNMGSF-UHFFFAOYSA-N 1 2 249.358 1.625 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335550580 534658028 /nfs/dbraw/zinc/65/80/28/534658028.db2.gz ZSWKNYCFBBXTLV-UWVGGRQHSA-N 1 2 219.288 1.136 20 30 BDEDLO C=C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352443834 534659330 /nfs/dbraw/zinc/65/93/30/534659330.db2.gz RQLPYEZKGZVZAJ-JTQLQIEISA-N 1 2 242.282 1.572 20 30 BDEDLO C=CC[C@@H](CO)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000340899762 534888406 /nfs/dbraw/zinc/88/84/06/534888406.db2.gz QJZOKADECUQMLV-SNVBAGLBSA-N 1 2 246.314 1.285 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812934 526606691 /nfs/dbraw/zinc/60/66/91/526606691.db2.gz NZPZRYVUPDAQSN-UMCURTJPSA-N 1 2 232.287 1.477 20 30 BDEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000505606730 526869063 /nfs/dbraw/zinc/86/90/63/526869063.db2.gz GQPYQOUNGFGGIZ-UHFFFAOYSA-N 1 2 246.310 1.183 20 30 BDEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000505606730 526869071 /nfs/dbraw/zinc/86/90/71/526869071.db2.gz GQPYQOUNGFGGIZ-UHFFFAOYSA-N 1 2 246.310 1.183 20 30 BDEDLO C#CC[C@@H](C)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492464352 527152152 /nfs/dbraw/zinc/15/21/52/527152152.db2.gz XJAZWJLEJQBNEG-WSKFYRRCSA-N 1 2 231.299 1.444 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000491638616 527213728 /nfs/dbraw/zinc/21/37/28/527213728.db2.gz ZLLIIDDFAKVSSM-CHWSQXEVSA-N 1 2 236.359 1.792 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000491638616 527213732 /nfs/dbraw/zinc/21/37/32/527213732.db2.gz ZLLIIDDFAKVSSM-CHWSQXEVSA-N 1 2 236.359 1.792 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000491670784 527214031 /nfs/dbraw/zinc/21/40/31/527214031.db2.gz FBQIGCRLZMSBIG-SNVBAGLBSA-N 1 2 206.293 1.313 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000491670784 527214033 /nfs/dbraw/zinc/21/40/33/527214033.db2.gz FBQIGCRLZMSBIG-SNVBAGLBSA-N 1 2 206.293 1.313 20 30 BDEDLO C=CCCC[C@@H](C)N1CC[NH+](C[C@H](C)O)CC1 ZINC000494465045 527248911 /nfs/dbraw/zinc/24/89/11/527248911.db2.gz MHRFBXXYQMQIAY-KGLIPLIRSA-N 1 2 240.391 1.730 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000491711190 527334139 /nfs/dbraw/zinc/33/41/39/527334139.db2.gz ZXQCSSYIJLXRQA-LBPRGKRZSA-N 1 2 240.310 1.856 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000491711190 527334145 /nfs/dbraw/zinc/33/41/45/527334145.db2.gz ZXQCSSYIJLXRQA-LBPRGKRZSA-N 1 2 240.310 1.856 20 30 BDEDLO C#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000491286678 527377760 /nfs/dbraw/zinc/37/77/60/527377760.db2.gz JAWXDHFLADJDLR-ZADCQDASSA-N 1 2 231.299 1.587 20 30 BDEDLO C#C[C@H]([NH2+][C@H](CCC)C(=O)OCC)C(C)C ZINC000300900826 527414519 /nfs/dbraw/zinc/41/45/19/527414519.db2.gz KXSRBEFFUCJFBV-NWDGAFQWSA-N 1 2 225.332 1.966 20 30 BDEDLO CCC[N@@H+](CC#N)CCCSCCOC ZINC000488395438 527876981 /nfs/dbraw/zinc/87/69/81/527876981.db2.gz HWQZIXUMUWIDNJ-UHFFFAOYSA-N 1 2 230.377 1.992 20 30 BDEDLO CCC[N@H+](CC#N)CCCSCCOC ZINC000488395438 527876987 /nfs/dbraw/zinc/87/69/87/527876987.db2.gz HWQZIXUMUWIDNJ-UHFFFAOYSA-N 1 2 230.377 1.992 20 30 BDEDLO CC[N@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000487911418 527939062 /nfs/dbraw/zinc/93/90/62/527939062.db2.gz MAUBEQPZSOPTBQ-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000487911418 527939066 /nfs/dbraw/zinc/93/90/66/527939066.db2.gz MAUBEQPZSOPTBQ-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CC(C)CNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000174695256 528031760 /nfs/dbraw/zinc/03/17/60/528031760.db2.gz BMDIILUBMZUEQI-UHFFFAOYSA-N 1 2 237.347 1.384 20 30 BDEDLO CC(C)CNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000174695256 528031769 /nfs/dbraw/zinc/03/17/69/528031769.db2.gz BMDIILUBMZUEQI-UHFFFAOYSA-N 1 2 237.347 1.384 20 30 BDEDLO CCOC(=O)C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487867633 528790188 /nfs/dbraw/zinc/79/01/88/528790188.db2.gz CZNHSSJNFNFWRS-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487867633 528790195 /nfs/dbraw/zinc/79/01/95/528790195.db2.gz CZNHSSJNFNFWRS-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CC1(C#N)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492863728 528835143 /nfs/dbraw/zinc/83/51/43/528835143.db2.gz MVOCVCIJBZBOHE-IHWYPQMZSA-N 1 2 244.298 1.575 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336386613 535127459 /nfs/dbraw/zinc/12/74/59/535127459.db2.gz GJELFXCUPNYLCD-MWLCHTKSSA-N 1 2 246.314 1.494 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336386613 535127461 /nfs/dbraw/zinc/12/74/61/535127461.db2.gz GJELFXCUPNYLCD-MWLCHTKSSA-N 1 2 246.314 1.494 20 30 BDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC#N)C2 ZINC000336070822 535382327 /nfs/dbraw/zinc/38/23/27/535382327.db2.gz URJXHOIFTPIPDO-SECBINFHSA-N 1 2 246.314 1.278 20 30 BDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC#N)CC2 ZINC000336070822 535382329 /nfs/dbraw/zinc/38/23/29/535382329.db2.gz URJXHOIFTPIPDO-SECBINFHSA-N 1 2 246.314 1.278 20 30 BDEDLO CCn1cc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000063095331 536045381 /nfs/dbraw/zinc/04/53/81/536045381.db2.gz DCGOCALMZWHGHF-JTQLQIEISA-N 1 2 206.293 1.637 20 30 BDEDLO CCn1cc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000063095331 536045384 /nfs/dbraw/zinc/04/53/84/536045384.db2.gz DCGOCALMZWHGHF-JTQLQIEISA-N 1 2 206.293 1.637 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N1CCn2c[nH+]cc2C1 ZINC000291006424 536183994 /nfs/dbraw/zinc/18/39/94/536183994.db2.gz ZNLWDLGLEOQMON-GFCCVEGCSA-N 1 2 232.287 1.165 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000168928162 536703559 /nfs/dbraw/zinc/70/35/59/536703559.db2.gz SHWTYPORCMWRIU-UHFFFAOYSA-N 1 2 236.271 1.706 20 30 BDEDLO COCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329418170 536800240 /nfs/dbraw/zinc/80/02/40/536800240.db2.gz GHBKNWKSJPNTKB-VIFPVBQESA-N 1 2 249.314 1.650 20 30 BDEDLO COCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329418170 536800243 /nfs/dbraw/zinc/80/02/43/536800243.db2.gz GHBKNWKSJPNTKB-VIFPVBQESA-N 1 2 249.314 1.650 20 30 BDEDLO C=CC[C@@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893161625 583060249 /nfs/dbraw/zinc/06/02/49/583060249.db2.gz CSSQDYQRXRWJOG-UWVGGRQHSA-N 1 2 222.288 1.484 20 30 BDEDLO C(=NNCc1ccccc1)c1c[nH+]c2n1CCC2 ZINC000853276613 588730381 /nfs/dbraw/zinc/73/03/81/588730381.db2.gz GRWFMBSSCIHJQS-UHFFFAOYSA-N 1 2 240.310 1.953 20 30 BDEDLO Cc1[nH+]cc(CN=Nc2ccc(C)cn2)n1C ZINC000853301095 588731329 /nfs/dbraw/zinc/73/13/29/588731329.db2.gz PUDNNQRVHZZBSG-UHFFFAOYSA-N 1 2 229.287 1.878 20 30 BDEDLO Cc1[nH+]cc(C=NNc2ccc(C)cn2)n1C ZINC000853301095 588731330 /nfs/dbraw/zinc/73/13/30/588731330.db2.gz PUDNNQRVHZZBSG-UHFFFAOYSA-N 1 2 229.287 1.878 20 30 BDEDLO Cn1cc[nH+]c1[N-]N=Cc1c[nH+]c2n1CCC2 ZINC000853339925 588735092 /nfs/dbraw/zinc/73/50/92/588735092.db2.gz GDKUVDXFBNVLAH-UHFFFAOYSA-N 1 2 230.275 1.009 20 30 BDEDLO CC(C)OCCON=Cc1c[nH+]c2n1CCC2 ZINC000853348683 588736421 /nfs/dbraw/zinc/73/64/21/588736421.db2.gz LYBYSSHQCHWUGK-UHFFFAOYSA-N 1 2 237.303 1.605 20 30 BDEDLO Cc1[nH+]cc(C=NOCC2CCC2)n1C ZINC000853440732 588743179 /nfs/dbraw/zinc/74/31/79/588743179.db2.gz MHGQLJHXCWHSQM-UHFFFAOYSA-N 1 2 207.277 1.879 20 30 BDEDLO C=CC[N@H+](CN1C[C@@H](C)CC1=O)[C@H](C)COC ZINC000853533906 588747893 /nfs/dbraw/zinc/74/78/93/588747893.db2.gz DCSUUFZFLBCABE-NWDGAFQWSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@@H+](CN1C[C@@H](C)CC1=O)[C@H](C)COC ZINC000853533906 588747894 /nfs/dbraw/zinc/74/78/94/588747894.db2.gz DCSUUFZFLBCABE-NWDGAFQWSA-N 1 2 240.347 1.335 20 30 BDEDLO N#Cc1cccn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1=O ZINC000853575798 588749477 /nfs/dbraw/zinc/74/94/77/588749477.db2.gz KCKXVKRHIYUOBT-JQWIXIFHSA-N 1 2 229.283 1.019 20 30 BDEDLO N#Cc1cccn(C[N@H+]2CC[C@H]3C[C@H]3C2)c1=O ZINC000853575798 588749478 /nfs/dbraw/zinc/74/94/78/588749478.db2.gz KCKXVKRHIYUOBT-JQWIXIFHSA-N 1 2 229.283 1.019 20 30 BDEDLO Cc1ncoc1CNc1cc(C)[nH+]cc1C#N ZINC000853640825 588751585 /nfs/dbraw/zinc/75/15/85/588751585.db2.gz REZDUECFXIROIM-UHFFFAOYSA-N 1 2 228.255 1.592 20 30 BDEDLO N#Cc1cnnc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000853650950 588752313 /nfs/dbraw/zinc/75/23/13/588752313.db2.gz OFUFWFFRKUMLHK-VIFPVBQESA-N 1 2 226.243 1.102 20 30 BDEDLO C=C(C)CCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742506 588760900 /nfs/dbraw/zinc/76/09/00/588760900.db2.gz SCUNZGLJWIAOMF-UHFFFAOYSA-N 1 2 242.319 1.647 20 30 BDEDLO C#C[C@H](CC)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000854074501 588773441 /nfs/dbraw/zinc/77/34/41/588773441.db2.gz DFDBUEAYRGBVHG-LLVKDONJSA-N 1 2 246.314 1.129 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000854692746 588801970 /nfs/dbraw/zinc/80/19/70/588801970.db2.gz GOGCBTSRXMWOHN-YPMHNXCESA-N 1 2 233.315 1.752 20 30 BDEDLO CC(C)C#CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000854842893 588813107 /nfs/dbraw/zinc/81/31/07/588813107.db2.gz WWZYHJLDHFUUEI-UHFFFAOYSA-N 1 2 219.288 1.420 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000855027011 588821095 /nfs/dbraw/zinc/82/10/95/588821095.db2.gz VYLSBOTVDFNPNJ-BDAKNGLRSA-N 1 2 235.287 1.137 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000855027011 588821096 /nfs/dbraw/zinc/82/10/96/588821096.db2.gz VYLSBOTVDFNPNJ-BDAKNGLRSA-N 1 2 235.287 1.137 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000890555828 582475874 /nfs/dbraw/zinc/47/58/74/582475874.db2.gz DHANPBUHEUMQKU-NWDGAFQWSA-N 1 2 245.326 1.623 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CNc1cccc[nH+]1 ZINC000890654757 582493551 /nfs/dbraw/zinc/49/35/51/582493551.db2.gz HLROKRLMSZMVGF-GFCCVEGCSA-N 1 2 243.310 1.508 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000890655869 582494768 /nfs/dbraw/zinc/49/47/68/582494768.db2.gz RHVYKPXFXQQURG-GFCCVEGCSA-N 1 2 245.326 1.529 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000845619301 582618928 /nfs/dbraw/zinc/61/89/28/582618928.db2.gz VMSNTKKJOTXALP-RKDXNWHRSA-N 1 2 236.275 1.133 20 30 BDEDLO C=CC(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000891558328 582696669 /nfs/dbraw/zinc/69/66/69/582696669.db2.gz GBJQSABVABINAO-UHFFFAOYSA-N 1 2 222.292 1.147 20 30 BDEDLO Cc1cc(C#N)nc(N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000891783827 582720254 /nfs/dbraw/zinc/72/02/54/582720254.db2.gz NHVUASWOQBLGIQ-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1ccccn1 ZINC000848420212 582777176 /nfs/dbraw/zinc/77/71/76/582777176.db2.gz SWDSBBDSEITPMO-UHFFFAOYSA-N 1 2 229.287 1.292 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cn2ccnc2s1 ZINC000892068301 582783710 /nfs/dbraw/zinc/78/37/10/582783710.db2.gz KGMXETGNSLTQLJ-UHFFFAOYSA-N 1 2 243.335 1.854 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cn2ccnc2s1 ZINC000892068301 582783711 /nfs/dbraw/zinc/78/37/11/582783711.db2.gz KGMXETGNSLTQLJ-UHFFFAOYSA-N 1 2 243.335 1.854 20 30 BDEDLO C[C@H](NC(=O)c1ccc(C#N)o1)c1[nH+]ccn1C ZINC000856281579 588866802 /nfs/dbraw/zinc/86/68/02/588866802.db2.gz PMYRXRMPVBOWMT-QMMMGPOBSA-N 1 2 244.254 1.376 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN(C)C[C@H](C)O ZINC000841649547 583009801 /nfs/dbraw/zinc/00/98/01/583009801.db2.gz HXTLLMSOQSYYNH-LBPRGKRZSA-N 1 2 235.331 1.621 20 30 BDEDLO C#C[C@H]([NH2+]Cc1coc(C2CC2)n1)[C@H]1CCCO1 ZINC000775343852 583087809 /nfs/dbraw/zinc/08/78/09/583087809.db2.gz YNDGRVCMGXGLRC-QWHCGFSZSA-N 1 2 246.310 1.822 20 30 BDEDLO N#C[C@]1(F)CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000893405543 583138410 /nfs/dbraw/zinc/13/84/10/583138410.db2.gz FKYDAADJADEHBV-SNVBAGLBSA-N 1 2 240.669 1.759 20 30 BDEDLO C#C[C@@H](C)N(C)c1nc(N(C)[C@@H](C)C#C)cc[nH+]1 ZINC000893527901 583157942 /nfs/dbraw/zinc/15/79/42/583157942.db2.gz RGXVMNQCIIJWIA-NWDGAFQWSA-N 1 2 242.326 1.392 20 30 BDEDLO C#CC[N@@H+](Cc1c2c(nn1C)CCC2)C1CC1 ZINC000893613376 583174308 /nfs/dbraw/zinc/17/43/08/583174308.db2.gz ZWFAHEQUICUJPQ-UHFFFAOYSA-N 1 2 229.327 1.506 20 30 BDEDLO C#CC[N@H+](Cc1c2c(nn1C)CCC2)C1CC1 ZINC000893613376 583174310 /nfs/dbraw/zinc/17/43/10/583174310.db2.gz ZWFAHEQUICUJPQ-UHFFFAOYSA-N 1 2 229.327 1.506 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccn1C1CC1)[C@H]1CCCO1 ZINC000893676365 583195409 /nfs/dbraw/zinc/19/54/09/583195409.db2.gz KGKOSHDVAJHMGU-CHWSQXEVSA-N 1 2 245.326 1.488 20 30 BDEDLO Cn1cc(C[NH2+]CC2(C#N)CC2)c(Cl)n1 ZINC000857040994 588883598 /nfs/dbraw/zinc/88/35/98/588883598.db2.gz FVRNULPAHLVCQZ-UHFFFAOYSA-N 1 2 224.695 1.467 20 30 BDEDLO CCC#CCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000893838365 583229981 /nfs/dbraw/zinc/22/99/81/583229981.db2.gz KNMDQVJGKCQBJT-UHFFFAOYSA-N 1 2 242.278 1.833 20 30 BDEDLO CCN(Cc1c(C)cc[nH+]c1N)C[C@@H](C)C#N ZINC000893995805 583267814 /nfs/dbraw/zinc/26/78/14/583267814.db2.gz SRUSTCTUCYZSAS-JTQLQIEISA-N 1 2 232.331 1.954 20 30 BDEDLO CC(=[NH+]N[C@@H](C)CO)c1cc(F)c(N)c(F)c1 ZINC000814865059 583378620 /nfs/dbraw/zinc/37/86/20/583378620.db2.gz NXROTCMALNIRLO-LURJTMIESA-N 1 2 243.257 1.241 20 30 BDEDLO N#Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)cs1 ZINC000894279946 583408088 /nfs/dbraw/zinc/40/80/88/583408088.db2.gz IEUPZAFEZFZMGQ-NSHDSACASA-N 1 2 240.303 1.526 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)cs1 ZINC000894279946 583408089 /nfs/dbraw/zinc/40/80/89/583408089.db2.gz IEUPZAFEZFZMGQ-NSHDSACASA-N 1 2 240.303 1.526 20 30 BDEDLO C=CC[N@@H+](Cc1ccccc1)CN1CCC1=O ZINC000857231400 588897294 /nfs/dbraw/zinc/89/72/94/588897294.db2.gz HLZDHIDDOGYPPS-UHFFFAOYSA-N 1 2 230.311 1.864 20 30 BDEDLO C=CC[N@H+](Cc1ccccc1)CN1CCC1=O ZINC000857231400 588897296 /nfs/dbraw/zinc/89/72/96/588897296.db2.gz HLZDHIDDOGYPPS-UHFFFAOYSA-N 1 2 230.311 1.864 20 30 BDEDLO CC1(C)C[C@H](O)C[N@H+](Cc2ccncc2C#N)C1 ZINC000879624618 583441975 /nfs/dbraw/zinc/44/19/75/583441975.db2.gz YARJNEYZUSBDQN-ZDUSSCGKSA-N 1 2 245.326 1.546 20 30 BDEDLO CC1(C)C[C@H](O)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000879624618 583441978 /nfs/dbraw/zinc/44/19/78/583441978.db2.gz YARJNEYZUSBDQN-ZDUSSCGKSA-N 1 2 245.326 1.546 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000894383401 583442847 /nfs/dbraw/zinc/44/28/47/583442847.db2.gz JOIMOMUPOFDJRI-GFCCVEGCSA-N 1 2 240.310 1.438 20 30 BDEDLO C#C[C@H](CC)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894386532 583443622 /nfs/dbraw/zinc/44/36/22/583443622.db2.gz AQWVWNOHKNXGOB-SECBINFHSA-N 1 2 221.329 1.917 20 30 BDEDLO C#C[C@@H]1CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894426703 583457083 /nfs/dbraw/zinc/45/70/83/583457083.db2.gz CAFGNNYDRBUBNX-LLVKDONJSA-N 1 2 230.315 1.392 20 30 BDEDLO C#C[C@@H]1CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894426703 583457086 /nfs/dbraw/zinc/45/70/86/583457086.db2.gz CAFGNNYDRBUBNX-LLVKDONJSA-N 1 2 230.315 1.392 20 30 BDEDLO CC(C)c1c[nH]c(CN2CC(C)(C#N)C2)[nH+]1 ZINC000894969037 583560694 /nfs/dbraw/zinc/56/06/94/583560694.db2.gz CUDLLLLGBNNOHU-UHFFFAOYSA-N 1 2 218.304 1.879 20 30 BDEDLO Cc1[nH+]c2ccccc2n1CC(=O)O[C@@H](C)C#N ZINC000727056738 583597713 /nfs/dbraw/zinc/59/77/13/583597713.db2.gz XNXLIFNSPKWKOV-VIFPVBQESA-N 1 2 243.266 1.800 20 30 BDEDLO N#CCCOCC[N@@H+]1Cc2ccncc2C1 ZINC000857882631 588920673 /nfs/dbraw/zinc/92/06/73/588920673.db2.gz WJFIQJCMJQARNQ-UHFFFAOYSA-N 1 2 217.272 1.327 20 30 BDEDLO N#CCCOCC[N@H+]1Cc2ccncc2C1 ZINC000857882631 588920674 /nfs/dbraw/zinc/92/06/74/588920674.db2.gz WJFIQJCMJQARNQ-UHFFFAOYSA-N 1 2 217.272 1.327 20 30 BDEDLO CCn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000895451101 583676636 /nfs/dbraw/zinc/67/66/36/583676636.db2.gz TYDXXJMUJQBKGN-CYBMUJFWSA-N 1 2 232.331 1.947 20 30 BDEDLO CCn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000895451101 583676637 /nfs/dbraw/zinc/67/66/37/583676637.db2.gz TYDXXJMUJQBKGN-CYBMUJFWSA-N 1 2 232.331 1.947 20 30 BDEDLO C#CC1(F)CN(Cc2c(C)cc[nH+]c2N)C1 ZINC000895616638 583696403 /nfs/dbraw/zinc/69/64/03/583696403.db2.gz LRHJROHJJAQMMN-UHFFFAOYSA-N 1 2 219.263 1.129 20 30 BDEDLO C#CC1(F)CN(Cc2c[nH+]c3cccc(C)n23)C1 ZINC000895616067 583696737 /nfs/dbraw/zinc/69/67/37/583696737.db2.gz PZLWUHVBPKOEIG-UHFFFAOYSA-N 1 2 243.285 1.800 20 30 BDEDLO C#CCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857948979 588924767 /nfs/dbraw/zinc/92/47/67/588924767.db2.gz UYBDRYGSZYQRPM-LBPRGKRZSA-N 1 2 245.326 1.508 20 30 BDEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)C1CSC1 ZINC000895813808 583733626 /nfs/dbraw/zinc/73/36/26/583733626.db2.gz IDTQELZQDWVJFV-UHFFFAOYSA-N 1 2 235.356 1.577 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977893 588926887 /nfs/dbraw/zinc/92/68/87/588926887.db2.gz IXQGHEHOJJCMQR-BXKDBHETSA-N 1 2 232.287 1.384 20 30 BDEDLO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000896034677 583764569 /nfs/dbraw/zinc/76/45/69/583764569.db2.gz DPIMXIURQRKDKJ-QWRGUYRKSA-N 1 2 243.347 1.633 20 30 BDEDLO C=C(C)C[C@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000896034675 583764661 /nfs/dbraw/zinc/76/46/61/583764661.db2.gz DPIMXIURQRKDKJ-GHMZBOCLSA-N 1 2 243.347 1.633 20 30 BDEDLO C#CCCc1noc(C2([NH+](C)C)CC2)n1 ZINC000896079405 583769268 /nfs/dbraw/zinc/76/92/68/583769268.db2.gz FLUIJQGAVSVUJX-UHFFFAOYSA-N 1 2 205.261 1.186 20 30 BDEDLO C=CCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982111 588928182 /nfs/dbraw/zinc/92/81/82/588928182.db2.gz FKVBKHIXTVJXAQ-SNVBAGLBSA-N 1 2 219.288 1.800 20 30 BDEDLO CCC[C@H](O)CCNc1cc(C)[nH+]cc1C#N ZINC000896186681 583780807 /nfs/dbraw/zinc/78/08/07/583780807.db2.gz RELIUVWDJJBAGX-LBPRGKRZSA-N 1 2 233.315 1.647 20 30 BDEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857983618 588928921 /nfs/dbraw/zinc/92/89/21/588928921.db2.gz TWQBNTKPEUNCHJ-RUETXSTFSA-N 1 2 244.298 1.384 20 30 BDEDLO C#CC1(O)CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000896764767 583831461 /nfs/dbraw/zinc/83/14/61/583831461.db2.gz GABDUPFJEIJFGN-UHFFFAOYSA-N 1 2 231.299 1.058 20 30 BDEDLO O=C1C=COC2(CCN(c3cccc[nH+]3)CC2)C1 ZINC000896879450 583844883 /nfs/dbraw/zinc/84/48/83/583844883.db2.gz APVBXIBOFWDYHZ-UHFFFAOYSA-N 1 2 244.294 1.924 20 30 BDEDLO C=CCCOCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922071 583857063 /nfs/dbraw/zinc/85/70/63/583857063.db2.gz XPFCZLDMOCAJJH-UHFFFAOYSA-N 1 2 237.303 1.235 20 30 BDEDLO C=CCC[C@H](CCC)[NH2+]CC(=O)NOC ZINC000896927651 583859169 /nfs/dbraw/zinc/85/91/69/583859169.db2.gz SKQNEWYCWIKDJB-JTQLQIEISA-N 1 2 214.309 1.389 20 30 BDEDLO C#CCN(CC#N)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000897164321 583888106 /nfs/dbraw/zinc/88/81/06/583888106.db2.gz PKVGJBNWYKKLKG-UHFFFAOYSA-N 1 2 216.288 1.492 20 30 BDEDLO C#C[C@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000897360892 583938745 /nfs/dbraw/zinc/93/87/45/583938745.db2.gz SOYMBOMXMPTDMS-LBPRGKRZSA-N 1 2 216.284 1.566 20 30 BDEDLO CC(C)(CO)CNN=Cc1cccc2[nH+]ccn21 ZINC000799115673 583955987 /nfs/dbraw/zinc/95/59/87/583955987.db2.gz KQTAMWTYEJEZNQ-UHFFFAOYSA-N 1 2 246.314 1.276 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN1CCOCC1 ZINC000104194622 583977320 /nfs/dbraw/zinc/97/73/20/583977320.db2.gz FGATZAMZCALYFK-UHFFFAOYSA-N 1 2 218.728 1.003 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN1CCOCC1 ZINC000104194622 583977324 /nfs/dbraw/zinc/97/73/24/583977324.db2.gz FGATZAMZCALYFK-UHFFFAOYSA-N 1 2 218.728 1.003 20 30 BDEDLO CS(=O)(=O)[C@@H]1CCCCC1=[NH+]n1cccn1 ZINC000863165787 583979658 /nfs/dbraw/zinc/97/96/58/583979658.db2.gz ODAZXQGWRQACMV-SNVBAGLBSA-N 1 2 241.316 1.074 20 30 BDEDLO C[C@@]1(C#N)C[N@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000897585204 584021760 /nfs/dbraw/zinc/02/17/60/584021760.db2.gz RSUVPTYNNSFSOJ-CHWSQXEVSA-N 1 2 220.316 1.957 20 30 BDEDLO C[C@@]1(C#N)C[N@@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000897585204 584021762 /nfs/dbraw/zinc/02/17/62/584021762.db2.gz RSUVPTYNNSFSOJ-CHWSQXEVSA-N 1 2 220.316 1.957 20 30 BDEDLO CC(C)n1c[nH+]cc1CN1CCO[C@@](C)(C#N)C1 ZINC000897586061 584022137 /nfs/dbraw/zinc/02/21/37/584022137.db2.gz FAHQVFWFTCNQFH-ZDUSSCGKSA-N 1 2 248.330 1.578 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898193689 584096306 /nfs/dbraw/zinc/09/63/06/584096306.db2.gz RJAMDCJRSFOFIB-GHMZBOCLSA-N 1 2 240.303 1.524 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898193689 584096307 /nfs/dbraw/zinc/09/63/07/584096307.db2.gz RJAMDCJRSFOFIB-GHMZBOCLSA-N 1 2 240.303 1.524 20 30 BDEDLO C#CC1(NC(=O)NCc2cn(C)c[nH+]2)CCCC1 ZINC000898616184 584145225 /nfs/dbraw/zinc/14/52/25/584145225.db2.gz WJBFXFKHDLASPU-UHFFFAOYSA-N 1 2 246.314 1.165 20 30 BDEDLO C=C1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898612498 584146147 /nfs/dbraw/zinc/14/61/47/584146147.db2.gz NQZCCEPYDMAYQF-UHFFFAOYSA-N 1 2 234.303 1.282 20 30 BDEDLO Oc1ccccc1/C=[NH+]\CC1CC2(C1)OCCO2 ZINC000899226963 584182312 /nfs/dbraw/zinc/18/23/12/584182312.db2.gz BXFJTGMSQNZAOM-GDNBJRDFSA-N 1 2 247.294 1.964 20 30 BDEDLO C=C1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000899899844 584247992 /nfs/dbraw/zinc/24/79/92/584247992.db2.gz CRFHKOSMGXIRQL-LBPRGKRZSA-N 1 2 234.255 1.500 20 30 BDEDLO C=C1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000899900010 584248351 /nfs/dbraw/zinc/24/83/51/584248351.db2.gz GBDPUNLRPZBSHU-CYBMUJFWSA-N 1 2 221.275 1.601 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000899900123 584248905 /nfs/dbraw/zinc/24/89/05/584248905.db2.gz IYTKJYLFNCMDDX-CYBMUJFWSA-N 1 2 214.268 1.463 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000899900454 584249383 /nfs/dbraw/zinc/24/93/83/584249383.db2.gz QWKFVJKUXJDHGV-LBPRGKRZSA-N 1 2 219.284 1.298 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000899901407 584250127 /nfs/dbraw/zinc/25/01/27/584250127.db2.gz KDTLHJRFAGUJEJ-ZDUSSCGKSA-N 1 2 233.311 1.607 20 30 BDEDLO C=CCNC(=O)c1ccc(C)[nH+]c1NC ZINC000899921989 584256737 /nfs/dbraw/zinc/25/67/37/584256737.db2.gz HSFGZOFIWIQQCQ-UHFFFAOYSA-N 1 2 205.261 1.348 20 30 BDEDLO C=CCN(C(=O)CNc1cccc[nH+]1)C(C)C ZINC000900566652 584326475 /nfs/dbraw/zinc/32/64/75/584326475.db2.gz WFYGHSOOTKURMC-UHFFFAOYSA-N 1 2 233.315 1.917 20 30 BDEDLO C#CCN(CC)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000858748039 588975916 /nfs/dbraw/zinc/97/59/16/588975916.db2.gz NHSNAMRIURNILV-GFCCVEGCSA-N 1 2 245.326 1.236 20 30 BDEDLO CCNN=C1CCc2ccc[nH+]c2CC1 ZINC000901283129 584415610 /nfs/dbraw/zinc/41/56/10/584415610.db2.gz XJEANOPCPVKFBP-UHFFFAOYSA-N 1 2 203.289 1.926 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccnnc1 ZINC000901262118 584417476 /nfs/dbraw/zinc/41/74/76/584417476.db2.gz UTCHYBLYPRVKSD-UHFFFAOYSA-N 1 2 244.302 1.077 20 30 BDEDLO Cc1[nH]c(/C=C2\CCn3ccnc3C2=O)[nH+]c1C ZINC000901538060 584460587 /nfs/dbraw/zinc/46/05/87/584460587.db2.gz WNYQBCGOKWMFLF-JXMROGBWSA-N 1 2 242.282 1.893 20 30 BDEDLO Cc1cc(C(=O)/C=C\c2cn(C)c[nH+]2)nn1C ZINC000901554912 584462550 /nfs/dbraw/zinc/46/25/50/584462550.db2.gz HVQVQDAHWOPUAI-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)C(=O)OC ZINC000901669148 584477877 /nfs/dbraw/zinc/47/78/77/584477877.db2.gz INEMAGVYJDBANH-CHWFTXMASA-N 1 2 209.289 1.492 20 30 BDEDLO C=CC[C@@H]([NH2+]CCc1cccnc1C)C(=O)OC ZINC000901702151 584483146 /nfs/dbraw/zinc/48/31/46/584483146.db2.gz PXPHVBZGZAQYSI-CYBMUJFWSA-N 1 2 248.326 1.640 20 30 BDEDLO C#CCCOC(=O)NCc1[nH+]ccn1CC(C)C ZINC000859093832 589000595 /nfs/dbraw/zinc/00/05/95/589000595.db2.gz WSLSRXYPFHJEER-UHFFFAOYSA-N 1 2 249.314 1.789 20 30 BDEDLO C[C@@H](NCC1(C#N)CCC1)c1[nH]cc[nH+]1 ZINC000903030976 584718007 /nfs/dbraw/zinc/71/80/07/584718007.db2.gz AKUVBAQSQGGCAD-SECBINFHSA-N 1 2 204.277 1.754 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ncc[nH]1 ZINC000903030976 584718008 /nfs/dbraw/zinc/71/80/08/584718008.db2.gz AKUVBAQSQGGCAD-SECBINFHSA-N 1 2 204.277 1.754 20 30 BDEDLO Cc1cc([C@H](C)[NH2+]CC2(C#N)CC2)n(C)n1 ZINC000903106714 584728334 /nfs/dbraw/zinc/72/83/34/584728334.db2.gz UMFUTJTVWQKSTP-JTQLQIEISA-N 1 2 218.304 1.683 20 30 BDEDLO CCCCCCN(O)C(=O)Cc1c[nH+]cn1C ZINC000904204342 584852084 /nfs/dbraw/zinc/85/20/84/584852084.db2.gz KHVDSEBNBOJRSR-UHFFFAOYSA-N 1 2 239.319 1.761 20 30 BDEDLO CCCCN(O)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000904214519 584855668 /nfs/dbraw/zinc/85/56/68/584855668.db2.gz BSJSDJODDAURJJ-UHFFFAOYSA-N 1 2 239.319 1.945 20 30 BDEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000731201747 584923440 /nfs/dbraw/zinc/92/34/40/584923440.db2.gz UWOZVENLXGEEOJ-NSHDSACASA-N 1 2 232.287 1.082 20 30 BDEDLO C#CCCC[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000766729672 584943584 /nfs/dbraw/zinc/94/35/84/584943584.db2.gz FVFJKAZBSYGBMF-UHFFFAOYSA-N 1 2 241.298 1.796 20 30 BDEDLO N#Cc1cnc(-n2cc[nH+]c2)c(Cl)c1 ZINC000734141699 584957316 /nfs/dbraw/zinc/95/73/16/584957316.db2.gz LEIFXQVBUAERRQ-UHFFFAOYSA-N 1 2 204.620 1.792 20 30 BDEDLO CCCO[NH+]=C1CCCc2nc(N)ncc21 ZINC000842551275 584965882 /nfs/dbraw/zinc/96/58/82/584965882.db2.gz PSZBCLHYRNZQRU-UHFFFAOYSA-N 1 2 220.276 1.526 20 30 BDEDLO C=C(Cl)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000838744876 585067939 /nfs/dbraw/zinc/06/79/39/585067939.db2.gz PDSPUBHZPCRQAJ-UHFFFAOYSA-N 1 2 242.710 1.014 20 30 BDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000739903525 585084894 /nfs/dbraw/zinc/08/48/94/585084894.db2.gz OARNSDAVTHOHNC-ZDUSSCGKSA-N 1 2 244.294 1.868 20 30 BDEDLO C=CC[N@@H+](Cc1cnn(CC)n1)C1CC1 ZINC000839011170 585087076 /nfs/dbraw/zinc/08/70/76/585087076.db2.gz GEDTXUCSRQVJBI-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[N@H+](Cc1cnn(CC)n1)C1CC1 ZINC000839011170 585087077 /nfs/dbraw/zinc/08/70/77/585087077.db2.gz GEDTXUCSRQVJBI-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CCCC)C(=O)OC ZINC000839167468 585095387 /nfs/dbraw/zinc/09/53/87/585095387.db2.gz DVZGAPYTOVMASU-WDEREUQCSA-N 1 2 211.305 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)OC ZINC000839167094 585095412 /nfs/dbraw/zinc/09/54/12/585095412.db2.gz CLZQZYDWEJNKET-XQHKEYJVSA-N 1 2 237.343 1.966 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000839167720 585095669 /nfs/dbraw/zinc/09/56/69/585095669.db2.gz HUYULSNJGXTOHP-LXVYMNJGSA-N 1 2 248.326 1.613 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(=O)OC ZINC000839168754 585095674 /nfs/dbraw/zinc/09/56/74/585095674.db2.gz NYXJIRKGICBCPI-TUAOUCFPSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C(=O)OC ZINC000839168757 585095813 /nfs/dbraw/zinc/09/58/13/585095813.db2.gz NYXJIRKGICBCPI-WOPDTQHZSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H](C)CCC)C(=O)OC ZINC000839169904 585096071 /nfs/dbraw/zinc/09/60/71/585096071.db2.gz VDCLBQXYQHSRAH-MNOVXSKESA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000839169612 585096155 /nfs/dbraw/zinc/09/61/55/585096155.db2.gz UDQKMUCYTOATAF-XQQFMLRXSA-N 1 2 237.343 1.967 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000839169610 585096189 /nfs/dbraw/zinc/09/61/89/585096189.db2.gz UDQKMUCYTOATAF-UPJWGTAASA-N 1 2 237.343 1.967 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000839199265 585099048 /nfs/dbraw/zinc/09/90/48/585099048.db2.gz DDICPIKRRNDVCL-OAHLLOKOSA-N 1 2 240.306 1.701 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000839199265 585099049 /nfs/dbraw/zinc/09/90/49/585099049.db2.gz DDICPIKRRNDVCL-OAHLLOKOSA-N 1 2 240.306 1.701 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)CCCCCC ZINC000839199356 585099270 /nfs/dbraw/zinc/09/92/70/585099270.db2.gz IRYOMNDXPDSBDN-KGLIPLIRSA-N 1 2 239.359 1.652 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)CCCCCC ZINC000839199356 585099271 /nfs/dbraw/zinc/09/92/71/585099271.db2.gz IRYOMNDXPDSBDN-KGLIPLIRSA-N 1 2 239.359 1.652 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccnc1C ZINC000744773664 585153283 /nfs/dbraw/zinc/15/32/83/585153283.db2.gz QXLPUHIQWSRPPL-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccnc1C ZINC000744773664 585153284 /nfs/dbraw/zinc/15/32/84/585153284.db2.gz QXLPUHIQWSRPPL-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000747783862 585184174 /nfs/dbraw/zinc/18/41/74/585184174.db2.gz PSAPALCRMLEJDG-JTQLQIEISA-N 1 2 238.287 1.445 20 30 BDEDLO C=CC[N@@H+](CCS(=O)(=O)C(C)C)C(C)C ZINC000749796175 585206048 /nfs/dbraw/zinc/20/60/48/585206048.db2.gz HVQLFDIBABXKRX-UHFFFAOYSA-N 1 2 233.377 1.706 20 30 BDEDLO C=CC[N@H+](CCS(=O)(=O)C(C)C)C(C)C ZINC000749796175 585206049 /nfs/dbraw/zinc/20/60/49/585206049.db2.gz HVQLFDIBABXKRX-UHFFFAOYSA-N 1 2 233.377 1.706 20 30 BDEDLO C1CC[C@H]2[NH+]=C(N=NC3CCCOC3)N[C@@H]2C1 ZINC000753928134 585272307 /nfs/dbraw/zinc/27/23/07/585272307.db2.gz IPPSFPAUCSOBTC-GHMZBOCLSA-N 1 2 236.319 1.013 20 30 BDEDLO c1[nH]c(CN=Nc2cnc3ccccc3n2)c[nH+]1 ZINC000755683024 585303908 /nfs/dbraw/zinc/30/39/08/585303908.db2.gz MTSSNTTXKFNVPU-UHFFFAOYSA-N 1 2 238.254 1.799 20 30 BDEDLO c1[nH]cc(CN=Nc2cnc3ccccc3n2)[nH+]1 ZINC000755683024 585303909 /nfs/dbraw/zinc/30/39/09/585303909.db2.gz MTSSNTTXKFNVPU-UHFFFAOYSA-N 1 2 238.254 1.799 20 30 BDEDLO Cc1[nH]c[nH+]c1CN=Nc1ccc(C)cn1 ZINC000755690065 585304262 /nfs/dbraw/zinc/30/42/62/585304262.db2.gz VBJVITGHFIOJAL-UHFFFAOYSA-N 1 2 215.260 1.868 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1ccncc1Cl ZINC000755766793 585306360 /nfs/dbraw/zinc/30/63/60/585306360.db2.gz SJUVFORFSINPEW-UHFFFAOYSA-N 1 2 235.678 1.336 20 30 BDEDLO CCOCC[N@H+](CC)Cn1cccc(C#N)c1=O ZINC000758225819 585352041 /nfs/dbraw/zinc/35/20/41/585352041.db2.gz NRFUNZGHRYAOOH-UHFFFAOYSA-N 1 2 249.314 1.036 20 30 BDEDLO CCOCC[N@@H+](CC)Cn1cccc(C#N)c1=O ZINC000758225819 585352042 /nfs/dbraw/zinc/35/20/42/585352042.db2.gz NRFUNZGHRYAOOH-UHFFFAOYSA-N 1 2 249.314 1.036 20 30 BDEDLO Nc1[nH+]cccc1CN=Nc1ncc(F)cn1 ZINC000760255551 585387682 /nfs/dbraw/zinc/38/76/82/585387682.db2.gz WIGAMQDZFSIFIR-UHFFFAOYSA-N 1 2 232.222 1.039 20 30 BDEDLO CN(C)c1ccc(C=[NH+]Nc2cnn(C)c2)cc1 ZINC000761880553 585422043 /nfs/dbraw/zinc/42/20/43/585422043.db2.gz FRUOMVQZJZHHES-UHFFFAOYSA-N 1 2 243.314 1.932 20 30 BDEDLO Cc1ccnc(N[NH+]=Cc2cccnc2N)c1 ZINC000764697083 585471242 /nfs/dbraw/zinc/47/12/42/585471242.db2.gz VNHYKPYFGSGHBB-UHFFFAOYSA-N 1 2 227.271 1.813 20 30 BDEDLO CCN(CC#N)C(=O)c1cccc2[nH+]ccn21 ZINC000764874620 585476645 /nfs/dbraw/zinc/47/66/45/585476645.db2.gz DTYYOWWPHIUVFB-UHFFFAOYSA-N 1 2 228.255 1.320 20 30 BDEDLO N#Cc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)ncn1 ZINC000764872963 585476712 /nfs/dbraw/zinc/47/67/12/585476712.db2.gz HIVVLBIFKMNQFK-JTQLQIEISA-N 1 2 240.270 1.413 20 30 BDEDLO CC#CCO[NH+]=C(N)c1ccccc1C ZINC000766059162 585497040 /nfs/dbraw/zinc/49/70/40/585497040.db2.gz KOIWUYOBZCABCN-UHFFFAOYSA-N 1 2 202.257 1.865 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000767692763 585524763 /nfs/dbraw/zinc/52/47/63/585524763.db2.gz YANXYUCLCUSJHJ-GFCCVEGCSA-N 1 2 241.331 1.464 20 30 BDEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCN1C1CC1 ZINC000768532214 585540043 /nfs/dbraw/zinc/54/00/43/585540043.db2.gz HTLMVXIKRREVNM-GXTWGEPZSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCN1C1CC1 ZINC000768532214 585540044 /nfs/dbraw/zinc/54/00/44/585540044.db2.gz HTLMVXIKRREVNM-GXTWGEPZSA-N 1 2 249.358 1.085 20 30 BDEDLO COc1cccc(O)c1C[N@H+](C)C[C@@H](C)C#N ZINC000768876657 585545356 /nfs/dbraw/zinc/54/53/56/585545356.db2.gz GIWXXVQJTHBKNT-JTQLQIEISA-N 1 2 234.299 1.992 20 30 BDEDLO COc1cccc(O)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000768876657 585545357 /nfs/dbraw/zinc/54/53/57/585545357.db2.gz GIWXXVQJTHBKNT-JTQLQIEISA-N 1 2 234.299 1.992 20 30 BDEDLO CC1(C)CCC[N@H+](CCC2OCCO2)[C@@H]1C#N ZINC000769893587 585566205 /nfs/dbraw/zinc/56/62/05/585566205.db2.gz QLZSOKBUKYVMSI-LLVKDONJSA-N 1 2 238.331 1.764 20 30 BDEDLO CC1(C)CCC[N@@H+](CCC2OCCO2)[C@@H]1C#N ZINC000769893587 585566206 /nfs/dbraw/zinc/56/62/06/585566206.db2.gz QLZSOKBUKYVMSI-LLVKDONJSA-N 1 2 238.331 1.764 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)nc1 ZINC000770325436 585572859 /nfs/dbraw/zinc/57/28/59/585572859.db2.gz SKYDRHFTVIINKT-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)nc1 ZINC000770325436 585572860 /nfs/dbraw/zinc/57/28/60/585572860.db2.gz SKYDRHFTVIINKT-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO CC(C)OCC(N)=[NH+]OCc1cccc(C#N)c1 ZINC000770694023 585579990 /nfs/dbraw/zinc/57/99/90/585579990.db2.gz KJJGIRVGYOIDKJ-UHFFFAOYSA-N 1 2 247.298 1.982 20 30 BDEDLO C#C[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000772258910 585611227 /nfs/dbraw/zinc/61/12/27/585611227.db2.gz TVWLVONFBWYLEY-RYUDHWBXSA-N 1 2 243.310 1.947 20 30 BDEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NCCC#N ZINC000772255799 585611349 /nfs/dbraw/zinc/61/13/49/585611349.db2.gz NCYTXXJJKUPHSD-LLVKDONJSA-N 1 2 246.314 1.104 20 30 BDEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NCCC#N ZINC000772255799 585611350 /nfs/dbraw/zinc/61/13/50/585611350.db2.gz NCYTXXJJKUPHSD-LLVKDONJSA-N 1 2 246.314 1.104 20 30 BDEDLO C=C(CC)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805473277 585625744 /nfs/dbraw/zinc/62/57/44/585625744.db2.gz FEQJSEICNZJONO-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805473277 585625745 /nfs/dbraw/zinc/62/57/45/585625745.db2.gz FEQJSEICNZJONO-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C#CCCCCCC(=O)NCCc1c[nH+]cn1C ZINC000773824551 585644462 /nfs/dbraw/zinc/64/44/62/585644462.db2.gz KZCUXYDHTNZDAJ-UHFFFAOYSA-N 1 2 247.342 1.663 20 30 BDEDLO CCOCCON=Cc1cccc2[nH+]ccn21 ZINC000774421576 585658313 /nfs/dbraw/zinc/65/83/13/585658313.db2.gz HLKPJPLMBSKITQ-UHFFFAOYSA-N 1 2 233.271 1.721 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCO1 ZINC000775343240 585676076 /nfs/dbraw/zinc/67/60/76/585676076.db2.gz VPHJARCTSNLKHO-CABCVRRESA-N 1 2 240.306 1.829 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1nnnn1C)c1ccccc1 ZINC000775398063 585677450 /nfs/dbraw/zinc/67/74/50/585677450.db2.gz FAZBKJMIHMVUQG-GFCCVEGCSA-N 1 2 241.298 1.064 20 30 BDEDLO COCC#CCO[NH+]=C(N)c1cccc(OC)c1 ZINC000775680184 585683100 /nfs/dbraw/zinc/68/31/00/585683100.db2.gz BXHFCOZXOJOYLY-UHFFFAOYSA-N 1 2 248.282 1.192 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncc(C)cn1)[C@@H]1CCCO1 ZINC000775797653 585685234 /nfs/dbraw/zinc/68/52/34/585685234.db2.gz DHHXKDGFLWMFRA-RYUDHWBXSA-N 1 2 231.299 1.055 20 30 BDEDLO C#CCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000776963708 585706869 /nfs/dbraw/zinc/70/68/69/585706869.db2.gz DWHMNNLVQIELTI-UHFFFAOYSA-N 1 2 227.267 1.478 20 30 BDEDLO Clc1ccnc(N=NCc2c[nH+]c[nH]2)c1 ZINC000777906602 585723773 /nfs/dbraw/zinc/72/37/73/585723773.db2.gz CXCXSCYQUAXJRG-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO Clc1ccnc(N=NCc2c[nH]c[nH+]2)c1 ZINC000777906602 585723774 /nfs/dbraw/zinc/72/37/74/585723774.db2.gz CXCXSCYQUAXJRG-UHFFFAOYSA-N 1 2 221.651 1.904 20 30 BDEDLO C#CCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000778264146 585730285 /nfs/dbraw/zinc/73/02/85/585730285.db2.gz RVLGYLAZEKCNCP-GFCCVEGCSA-N 1 2 222.332 1.198 20 30 BDEDLO C#CCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000778264146 585730286 /nfs/dbraw/zinc/73/02/86/585730286.db2.gz RVLGYLAZEKCNCP-GFCCVEGCSA-N 1 2 222.332 1.198 20 30 BDEDLO C[C@@H](C#N)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780093655 585772384 /nfs/dbraw/zinc/77/23/84/585772384.db2.gz ZGZKAVAUYSLJHP-CMPLNLGQSA-N 1 2 232.283 1.745 20 30 BDEDLO Nc1[nH+]cccc1CN=Nc1ncncc1Cl ZINC000780280837 585776623 /nfs/dbraw/zinc/77/66/23/585776623.db2.gz UZFYSUNEIPXGQU-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1ncncc1Cl ZINC000780282981 585776636 /nfs/dbraw/zinc/77/66/36/585776636.db2.gz NENHFSCENHWWET-UHFFFAOYSA-N 1 2 236.666 1.608 20 30 BDEDLO C#CCCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000780515304 585779871 /nfs/dbraw/zinc/77/98/71/585779871.db2.gz ZXVBVAKAZYZQGZ-UHFFFAOYSA-N 1 2 245.326 1.850 20 30 BDEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000782312829 585814632 /nfs/dbraw/zinc/81/46/32/585814632.db2.gz HNFZNHRJZWUSOR-QMMMGPOBSA-N 1 2 226.251 1.498 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNC1CCCCC1 ZINC000786042934 585886299 /nfs/dbraw/zinc/88/62/99/585886299.db2.gz DFXCRDYPAYDRTD-UHFFFAOYSA-N 1 2 206.293 1.974 20 30 BDEDLO N#Cc1ccc(C(=O)OCCCn2cc[nH+]c2)[nH]1 ZINC000786080866 585886898 /nfs/dbraw/zinc/88/68/98/585886898.db2.gz IWAIELUKJPOXIV-UHFFFAOYSA-N 1 2 244.254 1.330 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](CCCCCCO)C1 ZINC000786435120 585891381 /nfs/dbraw/zinc/89/13/81/585891381.db2.gz CIEUKGBIUIPGTO-NSHDSACASA-N 1 2 214.284 1.477 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](CCCCCCO)C1 ZINC000786435120 585891382 /nfs/dbraw/zinc/89/13/82/585891382.db2.gz CIEUKGBIUIPGTO-NSHDSACASA-N 1 2 214.284 1.477 20 30 BDEDLO C(=NN[C@@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC000788440116 585923551 /nfs/dbraw/zinc/92/35/51/585923551.db2.gz PYEYRAWQIDWSME-SNVBAGLBSA-N 1 2 230.271 1.047 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000789333996 585940073 /nfs/dbraw/zinc/94/00/73/585940073.db2.gz FLKOXJVEESIHQY-UHFFFAOYSA-N 1 2 246.782 1.782 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000789333996 585940074 /nfs/dbraw/zinc/94/00/74/585940074.db2.gz FLKOXJVEESIHQY-UHFFFAOYSA-N 1 2 246.782 1.782 20 30 BDEDLO C=C(Cl)CN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000789333996 585940075 /nfs/dbraw/zinc/94/00/75/585940075.db2.gz FLKOXJVEESIHQY-UHFFFAOYSA-N 1 2 246.782 1.782 20 30 BDEDLO C=C(Cl)CN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000789333996 585940076 /nfs/dbraw/zinc/94/00/76/585940076.db2.gz FLKOXJVEESIHQY-UHFFFAOYSA-N 1 2 246.782 1.782 20 30 BDEDLO CC(C)(C#N)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789627219 585947240 /nfs/dbraw/zinc/94/72/40/585947240.db2.gz MFZZYQSNRINMFB-SECBINFHSA-N 1 2 225.292 1.604 20 30 BDEDLO CC(N=Nc1ccc(Cl)nn1)c1[nH]cc[nH+]1 ZINC000790142945 585958416 /nfs/dbraw/zinc/95/84/16/585958416.db2.gz OSEKAYDAZXHKGX-UHFFFAOYSA-N 1 2 236.666 1.689 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cccnc1 ZINC000790299608 585962767 /nfs/dbraw/zinc/96/27/67/585962767.db2.gz GBNLSJHLZYTICE-UHFFFAOYSA-N 1 2 215.260 1.651 20 30 BDEDLO COc1ccc(C=NNc2[nH+]ccn2C)c(O)c1 ZINC000790302408 585963067 /nfs/dbraw/zinc/96/30/67/585963067.db2.gz SAGSQUMKFULAIW-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO Cc1ccc(O)c(C=NNc2[nH+]ccn2C)c1 ZINC000790302660 585963169 /nfs/dbraw/zinc/96/31/69/585963169.db2.gz WLXPRAKSJILVEW-UHFFFAOYSA-N 1 2 230.271 1.880 20 30 BDEDLO CC1CC(C#N)(C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792036889 585994436 /nfs/dbraw/zinc/99/44/36/585994436.db2.gz STCCBXBYGGUWDR-UHFFFAOYSA-N 1 2 245.282 1.647 20 30 BDEDLO C=CCN(C(=O)CCc1c[nH+]cn1C)C(C)C ZINC000793418745 586019048 /nfs/dbraw/zinc/01/90/48/586019048.db2.gz QVJKIVTUWSEHBW-UHFFFAOYSA-N 1 2 235.331 1.776 20 30 BDEDLO C#CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000794205279 586035325 /nfs/dbraw/zinc/03/53/25/586035325.db2.gz GRCCIZZGPROKSO-UHFFFAOYSA-N 1 2 225.251 1.957 20 30 BDEDLO Cc1ccncc1C=NNc1[nH+]ccn1C ZINC000794540887 586042890 /nfs/dbraw/zinc/04/28/90/586042890.db2.gz FWWRNYOKWSTPCM-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCCN1CCOC1=O ZINC000794736240 586047777 /nfs/dbraw/zinc/04/77/77/586047777.db2.gz WLWTYSSNTWSWPS-UHFFFAOYSA-N 1 2 237.303 1.230 20 30 BDEDLO C=CC[N@H+](CCC#N)CCCN1CCOC1=O ZINC000794736240 586047778 /nfs/dbraw/zinc/04/77/78/586047778.db2.gz WLWTYSSNTWSWPS-UHFFFAOYSA-N 1 2 237.303 1.230 20 30 BDEDLO C[N@H+](CCCC#N)[C@H]1CC(C)(C)OC1=O ZINC000795660768 586090357 /nfs/dbraw/zinc/09/03/57/586090357.db2.gz ARUOPNRPRYPTEV-VIFPVBQESA-N 1 2 210.277 1.316 20 30 BDEDLO C[N@@H+](CCCC#N)[C@H]1CC(C)(C)OC1=O ZINC000795660768 586090358 /nfs/dbraw/zinc/09/03/58/586090358.db2.gz ARUOPNRPRYPTEV-VIFPVBQESA-N 1 2 210.277 1.316 20 30 BDEDLO C=CC[N@@H+](Cc1oncc1C(=O)OC)C(C)C ZINC000795865483 586093763 /nfs/dbraw/zinc/09/37/63/586093763.db2.gz AAZHNUCJIXDNIB-UHFFFAOYSA-N 1 2 238.287 1.858 20 30 BDEDLO C=CC[N@H+](Cc1oncc1C(=O)OC)C(C)C ZINC000795865483 586093764 /nfs/dbraw/zinc/09/37/64/586093764.db2.gz AAZHNUCJIXDNIB-UHFFFAOYSA-N 1 2 238.287 1.858 20 30 BDEDLO C#CCC[C@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000798419951 586143495 /nfs/dbraw/zinc/14/34/95/586143495.db2.gz XGRZYMSYMSFTNC-NSHDSACASA-N 1 2 247.342 1.960 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](CCC#N)CC(C)C)C1=O ZINC000799124695 586160182 /nfs/dbraw/zinc/16/01/82/586160182.db2.gz PRDUMHGZBYDHQC-CYBMUJFWSA-N 1 2 249.358 1.645 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](CCC#N)CC(C)C)C1=O ZINC000799124695 586160186 /nfs/dbraw/zinc/16/01/86/586160186.db2.gz PRDUMHGZBYDHQC-CYBMUJFWSA-N 1 2 249.358 1.645 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cc(C)n(C)n1)[C@@H]1CCCO1 ZINC000800490825 586222626 /nfs/dbraw/zinc/22/26/26/586222626.db2.gz ORHDUTKVMNTTOG-DYEKYZERSA-N 1 2 247.342 1.560 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cccnc2)c1 ZINC000800792254 586228266 /nfs/dbraw/zinc/22/82/66/586228266.db2.gz PGSMKAMJUJUJTJ-SNAWJCMRSA-N 1 2 213.240 1.711 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cncc(F)c2)c1 ZINC000800793035 586229081 /nfs/dbraw/zinc/22/90/81/586229081.db2.gz GGDQFVOFKHDTKP-NSCUHMNNSA-N 1 2 231.230 1.850 20 30 BDEDLO Cc1nn(C)cc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800794075 586229215 /nfs/dbraw/zinc/22/92/15/586229215.db2.gz VMCPRMWTPVYKLP-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO CC(=NOC[C@@H]1CCOC1)c1cn(C)c(C)[nH+]1 ZINC000800817385 586232956 /nfs/dbraw/zinc/23/29/56/586232956.db2.gz ZGQXDBFLDJRISI-LLVKDONJSA-N 1 2 237.303 1.506 20 30 BDEDLO CC[C@@H](C)NN=C(C)c1cn(C)c(C)[nH+]1 ZINC000800817389 586233085 /nfs/dbraw/zinc/23/30/85/586233085.db2.gz ZJEPFXIYSXMMJB-MRVPVSSYSA-N 1 2 208.309 1.841 20 30 BDEDLO CC#CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000801149226 586243685 /nfs/dbraw/zinc/24/36/85/586243685.db2.gz DYUSNYIWFKJBSU-UHFFFAOYSA-N 1 2 245.204 1.085 20 30 BDEDLO CC#CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000801182939 586245558 /nfs/dbraw/zinc/24/55/58/586245558.db2.gz TWVIZYWMMGHLKR-VIFPVBQESA-N 1 2 203.245 1.097 20 30 BDEDLO Cc1nc(C(C)(C)[NH2+]CCO[C@H](C)C#N)no1 ZINC000801932631 586278265 /nfs/dbraw/zinc/27/82/65/586278265.db2.gz SHJDBCWXWHUWJO-MRVPVSSYSA-N 1 2 238.291 1.131 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)OCCc1c[nH+]cn1C ZINC000802777350 586313992 /nfs/dbraw/zinc/31/39/92/586313992.db2.gz JPVZBCARKBPVQO-LBPRGKRZSA-N 1 2 235.287 1.446 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000859555706 589044813 /nfs/dbraw/zinc/04/48/13/589044813.db2.gz RTTUXMMYCLWNKY-JTQLQIEISA-N 1 2 233.695 1.003 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000859555706 589044815 /nfs/dbraw/zinc/04/48/15/589044815.db2.gz RTTUXMMYCLWNKY-JTQLQIEISA-N 1 2 233.695 1.003 20 30 BDEDLO N#Cc1ccnc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000803846077 586376785 /nfs/dbraw/zinc/37/67/85/586376785.db2.gz TUCUEGNZBSUTCO-UHFFFAOYSA-N 1 2 242.238 1.007 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000840047788 586396512 /nfs/dbraw/zinc/39/65/12/586396512.db2.gz MVPGCWHIIROVAM-CHWSQXEVSA-N 1 2 234.343 1.709 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000840047788 586396515 /nfs/dbraw/zinc/39/65/15/586396515.db2.gz MVPGCWHIIROVAM-CHWSQXEVSA-N 1 2 234.343 1.709 20 30 BDEDLO Cc1cc(C)nc(N=NCc2ccc(N)[nH+]c2)n1 ZINC000807939956 586452424 /nfs/dbraw/zinc/45/24/24/586452424.db2.gz FYTCTOMGNQOEKN-UHFFFAOYSA-N 1 2 242.286 1.517 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)CC1(SC)CC1 ZINC000809548178 586506569 /nfs/dbraw/zinc/50/65/69/586506569.db2.gz DTOFBCAEZDQBFM-UHFFFAOYSA-N 1 2 243.372 1.933 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)CC1(SC)CC1 ZINC000809548178 586506570 /nfs/dbraw/zinc/50/65/70/586506570.db2.gz DTOFBCAEZDQBFM-UHFFFAOYSA-N 1 2 243.372 1.933 20 30 BDEDLO COCC[N@@H+](Cc1ccco1)C[C@H](O)CC#N ZINC000809571778 586506955 /nfs/dbraw/zinc/50/69/55/586506955.db2.gz BRUCDORNQUCKIH-LLVKDONJSA-N 1 2 238.287 1.003 20 30 BDEDLO COCC[N@H+](Cc1ccco1)C[C@H](O)CC#N ZINC000809571778 586506956 /nfs/dbraw/zinc/50/69/56/586506956.db2.gz BRUCDORNQUCKIH-LLVKDONJSA-N 1 2 238.287 1.003 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)C[C@H](O)CC#N ZINC000809577014 586508217 /nfs/dbraw/zinc/50/82/17/586508217.db2.gz JBMYVFKSOVJBJZ-GFCCVEGCSA-N 1 2 223.320 1.523 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](O)CC#N ZINC000809577014 586508218 /nfs/dbraw/zinc/50/82/18/586508218.db2.gz JBMYVFKSOVJBJZ-GFCCVEGCSA-N 1 2 223.320 1.523 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000809645499 586510787 /nfs/dbraw/zinc/51/07/87/586510787.db2.gz VZUXIVFUVOEBQM-GFCCVEGCSA-N 1 2 242.322 1.330 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000809645499 586510789 /nfs/dbraw/zinc/51/07/89/586510789.db2.gz VZUXIVFUVOEBQM-GFCCVEGCSA-N 1 2 242.322 1.330 20 30 BDEDLO C#Cc1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000809744508 586516681 /nfs/dbraw/zinc/51/66/81/586516681.db2.gz NZWHRXSNQRYLND-UHFFFAOYSA-N 1 2 227.267 1.649 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cnn(C)n1 ZINC000809996099 586529202 /nfs/dbraw/zinc/52/92/02/586529202.db2.gz SFBNDNXSDIPMDS-NSHDSACASA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cnn(C)n1 ZINC000809996099 586529203 /nfs/dbraw/zinc/52/92/03/586529203.db2.gz SFBNDNXSDIPMDS-NSHDSACASA-N 1 2 206.293 1.356 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2cccnc2F)n1 ZINC000810156077 586536357 /nfs/dbraw/zinc/53/63/57/586536357.db2.gz RSBKNETYDKJAJW-UHFFFAOYSA-N 1 2 248.286 1.839 20 30 BDEDLO C#CCCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000811933476 586568776 /nfs/dbraw/zinc/56/87/76/586568776.db2.gz ABDIGVYWQHQMNI-UHFFFAOYSA-N 1 2 245.326 1.809 20 30 BDEDLO Cn1cc(C=[NH+]Nc2ccc(F)cc2)c(=O)[nH]1 ZINC000814212615 586617886 /nfs/dbraw/zinc/61/78/86/586617886.db2.gz GDQSXQACCFAORM-UHFFFAOYSA-N 1 2 234.234 1.711 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C)CC(C)(C)C#N ZINC000814669882 586628203 /nfs/dbraw/zinc/62/82/03/586628203.db2.gz PYLNARBCPAYHID-POHAHGRESA-N 1 2 224.304 1.587 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C)CC(C)(C)C#N ZINC000814669882 586628204 /nfs/dbraw/zinc/62/82/04/586628204.db2.gz PYLNARBCPAYHID-POHAHGRESA-N 1 2 224.304 1.587 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2cnn(C)c2N)nc1 ZINC000814831676 586637479 /nfs/dbraw/zinc/63/74/79/586637479.db2.gz MKJCVUHSQZFPJG-UHFFFAOYSA-N 1 2 230.275 1.152 20 30 BDEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(N)nc1 ZINC000814914819 586650278 /nfs/dbraw/zinc/65/02/78/586650278.db2.gz ITWPJHRKVHDFGX-UHFFFAOYSA-N 1 2 230.275 1.233 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cc(CO)ccc1O ZINC000814918217 586650668 /nfs/dbraw/zinc/65/06/68/586650668.db2.gz GZGCKDONZJUYTD-UHFFFAOYSA-N 1 2 246.270 1.064 20 30 BDEDLO C[C@@H](O)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000814960276 586659126 /nfs/dbraw/zinc/65/91/26/586659126.db2.gz PUPMYEQNFRNUFF-LLVKDONJSA-N 1 2 244.298 1.177 20 30 BDEDLO N#CC1(CC(=O)OCCCn2cc[nH+]c2)CC1 ZINC000815415210 586683502 /nfs/dbraw/zinc/68/35/02/586683502.db2.gz HUXMUCDFZGKTEK-UHFFFAOYSA-N 1 2 233.271 1.510 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)CC1(C#N)CC1 ZINC000815967577 586700467 /nfs/dbraw/zinc/70/04/67/586700467.db2.gz FOMDCZLXFFSMLQ-UHFFFAOYSA-N 1 2 219.244 1.157 20 30 BDEDLO COC[C@@H](C)NN=C1CCc2ccc[nH+]c2CC1 ZINC000817326986 586794626 /nfs/dbraw/zinc/79/46/26/586794626.db2.gz ZUIYAPZZGBPDAU-LLVKDONJSA-N 1 2 247.342 1.941 20 30 BDEDLO CCc1cc(C[NH2+]C[C@H](C#N)CCC#N)[nH]n1 ZINC000819054222 586927964 /nfs/dbraw/zinc/92/79/64/586927964.db2.gz ORUVXHYFQAPOAQ-JTQLQIEISA-N 1 2 231.303 1.505 20 30 BDEDLO C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)[O-])CC1 ZINC000819713198 586988584 /nfs/dbraw/zinc/98/85/84/586988584.db2.gz BCWALCYDYWXTFE-SNVBAGLBSA-N 1 2 226.320 1.090 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1cccnn1 ZINC000819808350 586995951 /nfs/dbraw/zinc/99/59/51/586995951.db2.gz MUUUNOLWLXLOPJ-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN1CCCC1=O ZINC000819811798 586997063 /nfs/dbraw/zinc/99/70/63/586997063.db2.gz CAJBEQNQXFMVJJ-UHFFFAOYSA-N 1 2 220.276 1.420 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000820661622 587063933 /nfs/dbraw/zinc/06/39/33/587063933.db2.gz TYQQYWMIHDVQKW-LLVKDONJSA-N 1 2 246.314 1.210 20 30 BDEDLO C#CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820837771 587076093 /nfs/dbraw/zinc/07/60/93/587076093.db2.gz OJWSOSFEIMGTTO-GHMZBOCLSA-N 1 2 231.299 1.433 20 30 BDEDLO C#CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820837771 587076095 /nfs/dbraw/zinc/07/60/95/587076095.db2.gz OJWSOSFEIMGTTO-GHMZBOCLSA-N 1 2 231.299 1.433 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821387194 587115391 /nfs/dbraw/zinc/11/53/91/587115391.db2.gz YITHCMKPHOMYDW-WDEREUQCSA-N 1 2 233.315 1.526 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822407049 587166551 /nfs/dbraw/zinc/16/65/51/587166551.db2.gz LRJWYDQYTMFZPN-QWHCGFSZSA-N 1 2 247.342 1.998 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823627738 587233260 /nfs/dbraw/zinc/23/32/60/587233260.db2.gz PDHPWJIVKFVVOY-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@@H](C)ONC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824033487 587249800 /nfs/dbraw/zinc/24/98/00/587249800.db2.gz MYVBHWAIBOUILF-VUHVRTRXSA-N 1 2 221.260 1.056 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(C(F)(F)F)nn1C ZINC000824621064 587279932 /nfs/dbraw/zinc/27/99/32/587279932.db2.gz HALWUOXTPWHZBJ-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(C(F)(F)F)nn1C ZINC000824621064 587279934 /nfs/dbraw/zinc/27/99/34/587279934.db2.gz HALWUOXTPWHZBJ-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO CC(C)C#CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000824830937 587289580 /nfs/dbraw/zinc/28/95/80/587289580.db2.gz RBFDWFBZBMOUKY-UHFFFAOYSA-N 1 2 245.326 1.775 20 30 BDEDLO C=CCCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824910257 587293160 /nfs/dbraw/zinc/29/31/60/587293160.db2.gz ODSNLLYESIIXQR-WAYWQWQTSA-N 1 2 205.261 1.126 20 30 BDEDLO C#CC[N@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000825519468 587322713 /nfs/dbraw/zinc/32/27/13/587322713.db2.gz GQXCGFQELJTKSA-UHFFFAOYSA-N 1 2 230.315 1.601 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000825519468 587322715 /nfs/dbraw/zinc/32/27/15/587322715.db2.gz GQXCGFQELJTKSA-UHFFFAOYSA-N 1 2 230.315 1.601 20 30 BDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)C#N ZINC000825634158 587328010 /nfs/dbraw/zinc/32/80/10/587328010.db2.gz FBSOJXXKWUKEKL-VIFPVBQESA-N 1 2 242.282 1.937 20 30 BDEDLO C=CCCn1cc(C[NH+]2CC(C)C2)nn1 ZINC000825745352 587336414 /nfs/dbraw/zinc/33/64/14/587336414.db2.gz YELUZJVBLKMPRS-UHFFFAOYSA-N 1 2 206.293 1.306 20 30 BDEDLO Cc1cn2ccc(NC(=O)NCCC#N)cc2[nH+]1 ZINC000825916787 587345691 /nfs/dbraw/zinc/34/56/91/587345691.db2.gz SWRNCTZLFBJTMP-UHFFFAOYSA-N 1 2 243.270 1.678 20 30 BDEDLO CC(C)c1nc(N2CC[C@@](O)(CC#N)C2)cc[nH+]1 ZINC000826618774 587356448 /nfs/dbraw/zinc/35/64/48/587356448.db2.gz QIHCOSSQOWVHOO-ZDUSSCGKSA-N 1 2 246.314 1.455 20 30 BDEDLO C#Cc1cnc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000827384763 587379293 /nfs/dbraw/zinc/37/92/93/587379293.db2.gz XOULTRLGTNTVRF-JTQLQIEISA-N 1 2 227.271 1.155 20 30 BDEDLO N#Cc1cnccc1C[NH+]1CCC(C#N)CC1 ZINC000827837285 587405048 /nfs/dbraw/zinc/40/50/48/587405048.db2.gz FEVBETZKIHRDAT-UHFFFAOYSA-N 1 2 226.283 1.689 20 30 BDEDLO C[N@H+](CCC#N)C[C@]1(O)CCc2ccccc21 ZINC000829311495 587492171 /nfs/dbraw/zinc/49/21/71/587492171.db2.gz YOPRATHJGZHHBE-CQSZACIVSA-N 1 2 230.311 1.666 20 30 BDEDLO C[N@@H+](CCC#N)C[C@]1(O)CCc2ccccc21 ZINC000829311495 587492172 /nfs/dbraw/zinc/49/21/72/587492172.db2.gz YOPRATHJGZHHBE-CQSZACIVSA-N 1 2 230.311 1.666 20 30 BDEDLO C=CC(C)(C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829399531 587496036 /nfs/dbraw/zinc/49/60/36/587496036.db2.gz VKBLLELZTSKCSG-UHFFFAOYSA-N 1 2 248.330 1.479 20 30 BDEDLO C=CC(C)(C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829399531 587496038 /nfs/dbraw/zinc/49/60/38/587496038.db2.gz VKBLLELZTSKCSG-UHFFFAOYSA-N 1 2 248.330 1.479 20 30 BDEDLO N#C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000829655299 587508029 /nfs/dbraw/zinc/50/80/29/587508029.db2.gz OGOMNMDURRUCSZ-NSHDSACASA-N 1 2 246.314 1.541 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000829815549 587519441 /nfs/dbraw/zinc/51/94/41/587519441.db2.gz OFHAPNIJHPIROG-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000829815549 587519443 /nfs/dbraw/zinc/51/94/43/587519443.db2.gz OFHAPNIJHPIROG-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000829815549 587519445 /nfs/dbraw/zinc/51/94/45/587519445.db2.gz OFHAPNIJHPIROG-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000829815549 587519446 /nfs/dbraw/zinc/51/94/46/587519446.db2.gz OFHAPNIJHPIROG-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000829815549 587519448 /nfs/dbraw/zinc/51/94/48/587519448.db2.gz OFHAPNIJHPIROG-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000829815549 587519450 /nfs/dbraw/zinc/51/94/50/587519450.db2.gz OFHAPNIJHPIROG-SNVBAGLBSA-N 1 2 204.277 1.040 20 30 BDEDLO CC(C)C#CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000830493375 587554564 /nfs/dbraw/zinc/55/45/64/587554564.db2.gz XNJAUSMWDRAHPP-UHFFFAOYSA-N 1 2 233.315 1.391 20 30 BDEDLO N#CC[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041053 587643703 /nfs/dbraw/zinc/64/37/03/587643703.db2.gz NZRORZVHSKEFKE-NEPJUHHUSA-N 1 2 236.315 1.518 20 30 BDEDLO N#CC[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041053 587643704 /nfs/dbraw/zinc/64/37/04/587643704.db2.gz NZRORZVHSKEFKE-NEPJUHHUSA-N 1 2 236.315 1.518 20 30 BDEDLO C#CCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000832204737 587649941 /nfs/dbraw/zinc/64/99/41/587649941.db2.gz RPLOMPIRLRGLJY-SECBINFHSA-N 1 2 205.248 1.348 20 30 BDEDLO C#CCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000832204737 587649943 /nfs/dbraw/zinc/64/99/43/587649943.db2.gz RPLOMPIRLRGLJY-SECBINFHSA-N 1 2 205.248 1.348 20 30 BDEDLO CC1(C#N)C[NH+](CC2(O)CCCCC2)C1 ZINC000834372986 587753355 /nfs/dbraw/zinc/75/33/55/587753355.db2.gz BRLNNCRPTQAFFL-UHFFFAOYSA-N 1 2 208.305 1.527 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000834386357 587754048 /nfs/dbraw/zinc/75/40/48/587754048.db2.gz USGCBFRONFLTKN-VHSXEESVSA-N 1 2 231.299 1.043 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000834386357 587754049 /nfs/dbraw/zinc/75/40/49/587754049.db2.gz USGCBFRONFLTKN-VHSXEESVSA-N 1 2 231.299 1.043 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000101728446 587767491 /nfs/dbraw/zinc/76/74/91/587767491.db2.gz CAVZIKDQFBHNKW-LLVKDONJSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000101728446 587767492 /nfs/dbraw/zinc/76/74/92/587767492.db2.gz CAVZIKDQFBHNKW-LLVKDONJSA-N 1 2 244.766 1.976 20 30 BDEDLO CN(C)C(=S)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834957147 587772518 /nfs/dbraw/zinc/77/25/18/587772518.db2.gz UHUXZEYNFLGWMK-UHFFFAOYSA-N 1 2 248.355 1.355 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)C#CC(C)(C)C ZINC000837680381 587890611 /nfs/dbraw/zinc/89/06/11/587890611.db2.gz POJUMHVEAFWBRN-UHFFFAOYSA-N 1 2 233.315 1.569 20 30 BDEDLO CC(C)(C=NOCC(F)F)[NH+]1CCOCC1 ZINC000841632895 587963077 /nfs/dbraw/zinc/96/30/77/587963077.db2.gz SONZCLRSNNODOJ-UHFFFAOYSA-N 1 2 236.262 1.365 20 30 BDEDLO CC([NH2+]Nc1nc[nH]n1)=C1CC1(F)F ZINC000841637958 587964476 /nfs/dbraw/zinc/96/44/76/587964476.db2.gz MLJVNCVQIZUSFV-RXMQYKEDSA-N 1 2 201.180 1.248 20 30 BDEDLO Cc1ccc2c(N[NH+]=C3NCCN3)csc2c1 ZINC000841660510 587969564 /nfs/dbraw/zinc/96/95/64/587969564.db2.gz QJJGRNVWRYBVFA-UHFFFAOYSA-N 1 2 246.339 1.354 20 30 BDEDLO C=CCCCCO[NH+]=C(N)[C@H](C)OC ZINC000842036990 587992076 /nfs/dbraw/zinc/99/20/76/587992076.db2.gz SKHRUSBQHHXPLP-VIFPVBQESA-N 1 2 200.282 1.876 20 30 BDEDLO C#CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000842634415 588045610 /nfs/dbraw/zinc/04/56/10/588045610.db2.gz WNQQJWOLLJYZKK-UHFFFAOYSA-N 1 2 234.259 1.094 20 30 BDEDLO C=CCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655007 588049964 /nfs/dbraw/zinc/04/99/64/588049964.db2.gz AVFHXDMDLYALFU-JTQLQIEISA-N 1 2 228.292 1.257 20 30 BDEDLO C=C(CC)CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661263 588050915 /nfs/dbraw/zinc/05/09/15/588050915.db2.gz MRNSRSUAEXLDIM-NSHDSACASA-N 1 2 242.319 1.504 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000843998381 588153838 /nfs/dbraw/zinc/15/38/38/588153838.db2.gz BKMXDNDNNWKILX-GFCCVEGCSA-N 1 2 231.299 1.145 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000844006676 588155330 /nfs/dbraw/zinc/15/53/30/588155330.db2.gz ZEGBDBUUYNEYFK-GFCCVEGCSA-N 1 2 245.326 1.604 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844134884 588169573 /nfs/dbraw/zinc/16/95/73/588169573.db2.gz RWOYCGYXIMWXJD-SECBINFHSA-N 1 2 239.706 1.314 20 30 BDEDLO C=C[C@H](C)ONC(=O)NCCCn1cc[nH+]c1 ZINC000844282392 588180267 /nfs/dbraw/zinc/18/02/67/588180267.db2.gz VKHNVQAVZHQEPE-JTQLQIEISA-N 1 2 238.291 1.079 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CCCO1 ZINC000844323038 588184560 /nfs/dbraw/zinc/18/45/60/588184560.db2.gz STKZIQVFXPGFOI-KGLIPLIRSA-N 1 2 245.326 1.100 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000844325605 588184754 /nfs/dbraw/zinc/18/47/54/588184754.db2.gz VVXOCOIVJZPMJF-UHFFFAOYSA-N 1 2 248.664 1.784 20 30 BDEDLO C=C(Cl)C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000844325605 588184756 /nfs/dbraw/zinc/18/47/56/588184756.db2.gz VVXOCOIVJZPMJF-UHFFFAOYSA-N 1 2 248.664 1.784 20 30 BDEDLO CC(C)=C(C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844527875 588200721 /nfs/dbraw/zinc/20/07/21/588200721.db2.gz CUVWXZMDGSYJAU-LBPRGKRZSA-N 1 2 223.320 1.303 20 30 BDEDLO CC/C(C)=C(\C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844526726 588200802 /nfs/dbraw/zinc/20/08/02/588200802.db2.gz HUORQABYKQITGB-OCHBPSSRSA-N 1 2 237.347 1.693 20 30 BDEDLO CC/C(C)=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844528719 588200808 /nfs/dbraw/zinc/20/08/08/588200808.db2.gz XKGJXTMRJQTAJE-MQGYJPLLSA-N 1 2 223.320 1.303 20 30 BDEDLO C[C@@H](CC(=O)OCC1(C#N)CC1)n1cc[nH+]c1 ZINC000845284481 588225656 /nfs/dbraw/zinc/22/56/56/588225656.db2.gz MDFVVKUXBRBSGX-JTQLQIEISA-N 1 2 233.271 1.681 20 30 BDEDLO CC#CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283869 588225956 /nfs/dbraw/zinc/22/59/56/588225956.db2.gz IHCAVBIPRLDTHC-NSHDSACASA-N 1 2 220.272 1.791 20 30 BDEDLO C[C@@H](C#N)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845495165 588230659 /nfs/dbraw/zinc/23/06/59/588230659.db2.gz UFOUZYQHZUREPJ-JTQLQIEISA-N 1 2 247.298 1.465 20 30 BDEDLO C#C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000845498837 588230980 /nfs/dbraw/zinc/23/09/80/588230980.db2.gz KCFREFPQOLPRRJ-JQWIXIFHSA-N 1 2 232.283 1.789 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N(C)Cc1[nH+]ccn1C ZINC000845622311 588237390 /nfs/dbraw/zinc/23/73/90/588237390.db2.gz CVIPVIIZGGUBHW-SECBINFHSA-N 1 2 238.291 1.068 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000846815191 588290819 /nfs/dbraw/zinc/29/08/19/588290819.db2.gz XRWREVKEELNDKQ-UHFFFAOYSA-N 1 2 216.244 1.568 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000846815191 588290820 /nfs/dbraw/zinc/29/08/20/588290820.db2.gz XRWREVKEELNDKQ-UHFFFAOYSA-N 1 2 216.244 1.568 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000847018350 588301795 /nfs/dbraw/zinc/30/17/95/588301795.db2.gz JPVVGXMKTDGCKS-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000847018350 588301796 /nfs/dbraw/zinc/30/17/96/588301796.db2.gz JPVVGXMKTDGCKS-SECBINFHSA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2noc(CCOC)n2)C1 ZINC000847019201 588301979 /nfs/dbraw/zinc/30/19/79/588301979.db2.gz PGGKYEZOHQIRLP-LLVKDONJSA-N 1 2 249.314 1.104 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2noc(CCOC)n2)C1 ZINC000847019201 588301980 /nfs/dbraw/zinc/30/19/80/588301980.db2.gz PGGKYEZOHQIRLP-LLVKDONJSA-N 1 2 249.314 1.104 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000847022121 588302572 /nfs/dbraw/zinc/30/25/72/588302572.db2.gz SJSSSKNJRISORM-GHMZBOCLSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000847022121 588302573 /nfs/dbraw/zinc/30/25/73/588302573.db2.gz SJSSSKNJRISORM-GHMZBOCLSA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000847033803 588304288 /nfs/dbraw/zinc/30/42/88/588304288.db2.gz GWBQQEWQWCGIEC-JTQLQIEISA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000847033803 588304289 /nfs/dbraw/zinc/30/42/89/588304289.db2.gz GWBQQEWQWCGIEC-JTQLQIEISA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000847033805 588304347 /nfs/dbraw/zinc/30/43/47/588304347.db2.gz GWBQQEWQWCGIEC-SNVBAGLBSA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000847033805 588304348 /nfs/dbraw/zinc/30/43/48/588304348.db2.gz GWBQQEWQWCGIEC-SNVBAGLBSA-N 1 2 237.734 1.919 20 30 BDEDLO Cc1noc([C@H](C)[N@@H+](C)CCO[C@@H](C)C#N)n1 ZINC000847067699 588305758 /nfs/dbraw/zinc/30/57/58/588305758.db2.gz YYSPDKNRVDLZGI-IUCAKERBSA-N 1 2 238.291 1.300 20 30 BDEDLO Cc1noc([C@H](C)[N@H+](C)CCO[C@@H](C)C#N)n1 ZINC000847067699 588305759 /nfs/dbraw/zinc/30/57/59/588305759.db2.gz YYSPDKNRVDLZGI-IUCAKERBSA-N 1 2 238.291 1.300 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000848274940 588369428 /nfs/dbraw/zinc/36/94/28/588369428.db2.gz GLVVSMVVDSAINQ-OLZOCXBDSA-N 1 2 245.326 1.706 20 30 BDEDLO C[C@H]1O[C@@H](C)CC1=NNCCCn1cc[nH+]c1 ZINC000848416546 588381530 /nfs/dbraw/zinc/38/15/30/588381530.db2.gz OTUDMWYIVZFGRV-WDEREUQCSA-N 1 2 236.319 1.416 20 30 BDEDLO C[C@H]1CC(=NNCCCn2cc[nH+]c2)CO1 ZINC000848416276 588381555 /nfs/dbraw/zinc/38/15/55/588381555.db2.gz FOQRPRQVAXMAJQ-JTQLQIEISA-N 1 2 222.292 1.028 20 30 BDEDLO C=Cn1cc(C=NNCCCn2cc[nH+]c2)cn1 ZINC000848417008 588381813 /nfs/dbraw/zinc/38/18/13/588381813.db2.gz HPSUSFIALYQYJP-UHFFFAOYSA-N 1 2 244.302 1.194 20 30 BDEDLO c1cn(CCCN=NC2CCCOC2)c[nH+]1 ZINC000848417981 588382360 /nfs/dbraw/zinc/38/23/60/588382360.db2.gz HRHNMSGVRGCKIN-UHFFFAOYSA-N 1 2 222.292 1.029 20 30 BDEDLO C[C@H]1C[C@@H]1CN=NCCCn1cc[nH+]c1 ZINC000848418351 588382595 /nfs/dbraw/zinc/38/25/95/588382595.db2.gz MJLNOSXTDQKEHM-WDEREUQCSA-N 1 2 206.293 1.505 20 30 BDEDLO CC1=CC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848420373 588382661 /nfs/dbraw/zinc/38/26/61/588382661.db2.gz YNBRZVAVIJHPGC-UHFFFAOYSA-N 1 2 218.304 1.959 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000848494740 588387388 /nfs/dbraw/zinc/38/73/88/588387388.db2.gz ZTYGHNNITPLPTD-JTQLQIEISA-N 1 2 234.259 1.094 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000848494740 588387390 /nfs/dbraw/zinc/38/73/90/588387390.db2.gz ZTYGHNNITPLPTD-JTQLQIEISA-N 1 2 234.259 1.094 20 30 BDEDLO Cn1c[nH+]c(/C=C2\S/C(=N/C3CC3)NC2=O)c1 ZINC000849252546 588464535 /nfs/dbraw/zinc/46/45/35/588464535.db2.gz WFYDMQMWGHDGNG-WTKPLQERSA-N 1 2 248.311 1.142 20 30 BDEDLO N#CCC1C[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000849326070 588472964 /nfs/dbraw/zinc/47/29/64/588472964.db2.gz BVKKHYUSQVMYRA-ZDUSSCGKSA-N 1 2 234.274 1.705 20 30 BDEDLO C#CCOCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000851726503 588617919 /nfs/dbraw/zinc/61/79/19/588617919.db2.gz QZHDBVYFRRGXIO-OAHLLOKOSA-N 1 2 245.322 1.710 20 30 BDEDLO C#CCOCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000851726503 588617920 /nfs/dbraw/zinc/61/79/20/588617920.db2.gz QZHDBVYFRRGXIO-OAHLLOKOSA-N 1 2 245.322 1.710 20 30 BDEDLO C#CC[N@H+](CC#CC)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000851785544 588628519 /nfs/dbraw/zinc/62/85/19/588628519.db2.gz QKJRSARRMDZHHL-HUUCEWRRSA-N 1 2 248.370 1.054 20 30 BDEDLO C#CC[N@@H+](CC#CC)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000851785544 588628520 /nfs/dbraw/zinc/62/85/20/588628520.db2.gz QKJRSARRMDZHHL-HUUCEWRRSA-N 1 2 248.370 1.054 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(CC)[nH]1)[C@H]1CCCO1 ZINC000851951210 588647499 /nfs/dbraw/zinc/64/74/99/588647499.db2.gz WEUFTLZPQBFSGI-OUAUKWLOSA-N 1 2 248.330 1.199 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nccc(N)n1 ZINC000852103781 588663751 /nfs/dbraw/zinc/66/37/51/588663751.db2.gz QTJBCHPLIXKUKS-BXKDBHETSA-N 1 2 218.304 1.511 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOCc1ccccc1 ZINC000852163432 588669049 /nfs/dbraw/zinc/66/90/49/588669049.db2.gz ZTFAYFMIQCVOKX-HNNXBMFYSA-N 1 2 245.322 1.537 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOCc1ccccc1 ZINC000852163432 588669050 /nfs/dbraw/zinc/66/90/50/588669050.db2.gz ZTFAYFMIQCVOKX-HNNXBMFYSA-N 1 2 245.322 1.537 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852275398 588675426 /nfs/dbraw/zinc/67/54/26/588675426.db2.gz OHMJCVWPZOBJTF-GHMZBOCLSA-N 1 2 248.330 1.582 20 30 BDEDLO CCn1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000852320041 588678441 /nfs/dbraw/zinc/67/84/41/588678441.db2.gz FVMPEOVSLDOYQJ-NSHDSACASA-N 1 2 233.319 1.424 20 30 BDEDLO CCn1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000852320041 588678442 /nfs/dbraw/zinc/67/84/42/588678442.db2.gz FVMPEOVSLDOYQJ-NSHDSACASA-N 1 2 233.319 1.424 20 30 BDEDLO C#CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330442 588678666 /nfs/dbraw/zinc/67/86/66/588678666.db2.gz CNFYFULWSWQUKH-OAHLLOKOSA-N 1 2 239.322 1.962 20 30 BDEDLO C#CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330442 588678667 /nfs/dbraw/zinc/67/86/67/588678667.db2.gz CNFYFULWSWQUKH-OAHLLOKOSA-N 1 2 239.322 1.962 20 30 BDEDLO C#C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000852341868 588678941 /nfs/dbraw/zinc/67/89/41/588678941.db2.gz YIBUOIKKFRTGLA-LLVKDONJSA-N 1 2 248.330 1.599 20 30 BDEDLO C#C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000852341868 588678942 /nfs/dbraw/zinc/67/89/42/588678942.db2.gz YIBUOIKKFRTGLA-LLVKDONJSA-N 1 2 248.330 1.599 20 30 BDEDLO C#CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000852343329 588679091 /nfs/dbraw/zinc/67/90/91/588679091.db2.gz BDXXEMHRXAFOSE-UHFFFAOYSA-N 1 2 231.324 1.375 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000861340809 589161361 /nfs/dbraw/zinc/16/13/61/589161361.db2.gz KMTWGXYRVQPFJS-RYUDHWBXSA-N 1 2 245.326 1.234 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)[C@@H]1CCCO1 ZINC000862332920 589201423 /nfs/dbraw/zinc/20/14/23/589201423.db2.gz ZOUQHVWWIZTKJM-OLZOCXBDSA-N 1 2 246.310 1.822 20 30 BDEDLO Cc1ccc(CO[NH+]=C(N)CCO)cc1C#N ZINC000863467707 589290605 /nfs/dbraw/zinc/29/06/05/589290605.db2.gz IBMISWGRBGRRKF-UHFFFAOYSA-N 1 2 233.271 1.248 20 30 BDEDLO CC#CCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478073 589291915 /nfs/dbraw/zinc/29/19/15/589291915.db2.gz JDZLIBRJDYPLHY-UHFFFAOYSA-N 1 2 224.304 1.857 20 30 BDEDLO C#C[C@H](C)N(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000865731794 589458760 /nfs/dbraw/zinc/45/87/60/589458760.db2.gz ZYYLUSCHKRUCJZ-VHSXEESVSA-N 1 2 204.273 1.593 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NCCC)[nH+]cn1 ZINC000865731591 589458876 /nfs/dbraw/zinc/45/88/76/589458876.db2.gz SRQFGVUJQYZCAU-JTQLQIEISA-N 1 2 218.304 1.756 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NCCC)nc[nH+]1 ZINC000865731591 589458877 /nfs/dbraw/zinc/45/88/77/589458877.db2.gz SRQFGVUJQYZCAU-JTQLQIEISA-N 1 2 218.304 1.756 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865755930 589461033 /nfs/dbraw/zinc/46/10/33/589461033.db2.gz RECJDXMEXSVFRY-CYBMUJFWSA-N 1 2 247.342 1.861 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865852093 589465133 /nfs/dbraw/zinc/46/51/33/589465133.db2.gz NDLSKYGXPPTGAF-WCQGTBRESA-N 1 2 234.299 1.890 20 30 BDEDLO N#Cc1nccnc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928007 589469117 /nfs/dbraw/zinc/46/91/17/589469117.db2.gz NSVJOAWZHLAIHY-JTQLQIEISA-N 1 2 249.293 1.194 20 30 BDEDLO N#Cc1nccnc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928007 589469118 /nfs/dbraw/zinc/46/91/18/589469118.db2.gz NSVJOAWZHLAIHY-JTQLQIEISA-N 1 2 249.293 1.194 20 30 BDEDLO CS[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000866102901 589476413 /nfs/dbraw/zinc/47/64/13/589476413.db2.gz UEHKFMRCHSKFCM-XYPYZODXSA-N 1 2 233.340 1.990 20 30 BDEDLO COC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866213357 589480982 /nfs/dbraw/zinc/48/09/82/589480982.db2.gz PRAFJZGEVRREQB-UWVGGRQHSA-N 1 2 234.299 1.949 20 30 BDEDLO C[C@H]([NH2+][C@H]1CCN(C)C1)c1cccc(C#N)c1O ZINC000866260830 589483500 /nfs/dbraw/zinc/48/35/00/589483500.db2.gz XYUORUKATLIMGX-JQWIXIFHSA-N 1 2 245.326 1.619 20 30 BDEDLO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866287543 589484350 /nfs/dbraw/zinc/48/43/50/589484350.db2.gz OFSVOPVDHDLYBI-BDAKNGLRSA-N 1 2 247.298 1.178 20 30 BDEDLO CO[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866347037 589487403 /nfs/dbraw/zinc/48/74/03/589487403.db2.gz ZGLRKDDUKOQWCK-NXEZZACHSA-N 1 2 234.299 1.949 20 30 BDEDLO CO[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866347042 589487434 /nfs/dbraw/zinc/48/74/34/589487434.db2.gz ZGLRKDDUKOQWCK-ZJUUUORDSA-N 1 2 234.299 1.949 20 30 BDEDLO CC[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866362946 589488310 /nfs/dbraw/zinc/48/83/10/589488310.db2.gz FXCRSZSNMJVHRJ-KOLCDFICSA-N 1 2 234.299 1.685 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867880076 589538145 /nfs/dbraw/zinc/53/81/45/589538145.db2.gz JMXYIAWTNGBXCF-KOLCDFICSA-N 1 2 235.287 1.010 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)NCC(C)(C)CC#N ZINC000868696519 589573285 /nfs/dbraw/zinc/57/32/85/589573285.db2.gz SSIGNXUKFFIHRB-UHFFFAOYSA-N 1 2 249.318 1.159 20 30 BDEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000869244684 589593867 /nfs/dbraw/zinc/59/38/67/589593867.db2.gz ZAEZHOANBZOPIY-JQWIXIFHSA-N 1 2 249.314 1.258 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000872264367 589902385 /nfs/dbraw/zinc/90/23/85/589902385.db2.gz OUKOOFPWILQUDW-JTQLQIEISA-N 1 2 230.739 1.682 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000872264367 589902386 /nfs/dbraw/zinc/90/23/86/589902386.db2.gz OUKOOFPWILQUDW-JTQLQIEISA-N 1 2 230.739 1.682 20 30 BDEDLO Cc1cc(=O)[nH]c(N=NCC2CC[NH+](C)CC2)n1 ZINC000872324510 589912259 /nfs/dbraw/zinc/91/22/59/589912259.db2.gz UBTLEMKEZOICBZ-UHFFFAOYSA-N 1 2 249.318 1.230 20 30 BDEDLO Cc1cc(=O)nc(NN=CC2CC[NH+](C)CC2)[nH]1 ZINC000872324510 589912261 /nfs/dbraw/zinc/91/22/61/589912261.db2.gz UBTLEMKEZOICBZ-UHFFFAOYSA-N 1 2 249.318 1.230 20 30 BDEDLO CNc1ccccc1C=[NH+]N1CCCC1=O ZINC000872360607 589919364 /nfs/dbraw/zinc/91/93/64/589919364.db2.gz AGHRCHOCTSATRW-UHFFFAOYSA-N 1 2 217.272 1.685 20 30 BDEDLO CC(C)ON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872380027 589927438 /nfs/dbraw/zinc/92/74/38/589927438.db2.gz BEXMLUGGNTYDLN-UHFFFAOYSA-N 1 2 204.233 1.668 20 30 BDEDLO CCNc1ccccc1C=[NH+]Nc1cnnn1C ZINC000872379125 589927555 /nfs/dbraw/zinc/92/75/55/589927555.db2.gz OVRHLEOPJCBSLN-UHFFFAOYSA-N 1 2 244.302 1.693 20 30 BDEDLO C(=NN1CCC1)c1ccc(C=[NH+]N2CCC2)cc1 ZINC000872394290 589931822 /nfs/dbraw/zinc/93/18/22/589931822.db2.gz DQIICYULEJRMRP-UHFFFAOYSA-N 1 2 242.326 1.766 20 30 BDEDLO Cc1cc(NNC=CC(F)(F)F)[nH+]c(N)n1 ZINC000872421509 589938530 /nfs/dbraw/zinc/93/85/30/589938530.db2.gz MVTODDXBKNVSOQ-UHFFFAOYSA-N 1 2 233.197 1.717 20 30 BDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC1CC1 ZINC000124382037 589983706 /nfs/dbraw/zinc/98/37/06/589983706.db2.gz MBKXQIUFMLOVFA-SECBINFHSA-N 1 2 214.309 1.746 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC000874863411 590150896 /nfs/dbraw/zinc/15/08/96/590150896.db2.gz QVHZNDJDRWITDO-JOCQHMNTSA-N 1 2 245.326 1.581 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1cn(CCC)nn1 ZINC000877165234 590295123 /nfs/dbraw/zinc/29/51/23/590295123.db2.gz KGZZWMSCWPJYKB-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO COCCc1ncc(C[NH2+]CCC#N)s1 ZINC000877483164 590338018 /nfs/dbraw/zinc/33/80/18/590338018.db2.gz KYKIHEPBFUZDAH-UHFFFAOYSA-N 1 2 225.317 1.335 20 30 BDEDLO COc1cnc(F)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000877494735 590340644 /nfs/dbraw/zinc/34/06/44/590340644.db2.gz SKCSFQCJIAIVKH-UHFFFAOYSA-N 1 2 235.262 1.623 20 30 BDEDLO C[C@@H](CO)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877527159 590348108 /nfs/dbraw/zinc/34/81/08/590348108.db2.gz PNUSIUCEDAYWMQ-QMMMGPOBSA-N 1 2 239.706 1.419 20 30 BDEDLO C[C@@H](CO)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877527159 590348110 /nfs/dbraw/zinc/34/81/10/590348110.db2.gz PNUSIUCEDAYWMQ-QMMMGPOBSA-N 1 2 239.706 1.419 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1ccc(C)cc1O)C(=O)OC ZINC000877583003 590366815 /nfs/dbraw/zinc/36/68/15/590366815.db2.gz JXKGZPJLLFOGJX-LBPRGKRZSA-N 1 2 247.294 1.355 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](CCC)OC ZINC000877585610 590368205 /nfs/dbraw/zinc/36/82/05/590368205.db2.gz KFGUNVOGUPTYGX-NWDGAFQWSA-N 1 2 211.305 1.136 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](CCC)OC ZINC000877585610 590368208 /nfs/dbraw/zinc/36/82/08/590368208.db2.gz KFGUNVOGUPTYGX-NWDGAFQWSA-N 1 2 211.305 1.136 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CCC(C)(C)C ZINC000877710185 590398300 /nfs/dbraw/zinc/39/83/00/590398300.db2.gz JCKBGTXSPXHHFK-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CCC(C)(C)C ZINC000877710185 590398302 /nfs/dbraw/zinc/39/83/02/590398302.db2.gz JCKBGTXSPXHHFK-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO C=CC[C@H](C(=O)OC)[NH+]1CCSCC1 ZINC000877968264 590461366 /nfs/dbraw/zinc/46/13/66/590461366.db2.gz VJZFNERXQFMTMA-SECBINFHSA-N 1 2 215.318 1.153 20 30 BDEDLO 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C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccccn1 ZINC000878514680 590584921 /nfs/dbraw/zinc/58/49/21/590584921.db2.gz ZTHURWBGMHAGAE-UHFFFAOYSA-N 1 2 231.299 1.364 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccn1 ZINC000878514680 590584922 /nfs/dbraw/zinc/58/49/22/590584922.db2.gz ZTHURWBGMHAGAE-UHFFFAOYSA-N 1 2 231.299 1.364 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)C(=O)OC ZINC000878556355 590592259 /nfs/dbraw/zinc/59/22/59/590592259.db2.gz GDZRTIYLRCRMIL-SRVKXCTJSA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(CC2CC2)no1 ZINC000878660865 590604234 /nfs/dbraw/zinc/60/42/34/590604234.db2.gz OFYNIQOOJYEYMQ-CYBMUJFWSA-N 1 2 233.315 1.914 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](CC=C)C(=O)OC ZINC000878661858 590605694 /nfs/dbraw/zinc/60/56/94/590605694.db2.gz IVVXMSYNZILHQQ-PWSUYJOCSA-N 1 2 209.289 1.496 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)C(=O)OC ZINC000878673094 590607450 /nfs/dbraw/zinc/60/74/50/590607450.db2.gz VZHHWZBYRAFVLC-DCAQKATOSA-N 1 2 241.331 1.507 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCO[C@H]1C=C)C(=O)OC ZINC000878675066 590608048 /nfs/dbraw/zinc/60/80/48/590608048.db2.gz CJQILKLEBNIDDF-VWYCJHECSA-N 1 2 225.288 1.037 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878704423 590612496 /nfs/dbraw/zinc/61/24/96/590612496.db2.gz AOXDZFDEGKPHIS-STQMWFEESA-N 1 2 235.327 1.280 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878704423 590612497 /nfs/dbraw/zinc/61/24/97/590612497.db2.gz AOXDZFDEGKPHIS-STQMWFEESA-N 1 2 235.327 1.280 20 30 BDEDLO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000878817664 590627400 /nfs/dbraw/zinc/62/74/00/590627400.db2.gz XGFGKDLLAXOTPB-NEPJUHHUSA-N 1 2 239.363 1.963 20 30 BDEDLO CCOC(C[NH2+][C@H](C)CC#N)OCC ZINC000878820326 590627856 /nfs/dbraw/zinc/62/78/56/590627856.db2.gz KZVFPAYKJQZAAG-SECBINFHSA-N 1 2 200.282 1.277 20 30 BDEDLO C#CC[N@@H+](CCC(F)(F)F)C1CSC1 ZINC000878910434 590647160 /nfs/dbraw/zinc/64/71/60/590647160.db2.gz VCCOGMDBEKQNCO-UHFFFAOYSA-N 1 2 223.263 1.989 20 30 BDEDLO C#CC[N@H+](CCC(F)(F)F)C1CSC1 ZINC000878910434 590647164 /nfs/dbraw/zinc/64/71/64/590647164.db2.gz VCCOGMDBEKQNCO-UHFFFAOYSA-N 1 2 223.263 1.989 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)no1)C1CSC1 ZINC000878910536 590647828 /nfs/dbraw/zinc/64/78/28/590647828.db2.gz PDOLAKMYEWVPHI-UHFFFAOYSA-N 1 2 222.313 1.534 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)no1)C1CSC1 ZINC000878910536 590647830 /nfs/dbraw/zinc/64/78/30/590647830.db2.gz PDOLAKMYEWVPHI-UHFFFAOYSA-N 1 2 222.313 1.534 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(N(C)C)nc1 ZINC000127443410 590672634 /nfs/dbraw/zinc/67/26/34/590672634.db2.gz HSCUQRLJHWYWKB-UHFFFAOYSA-N 1 2 227.311 1.216 20 30 BDEDLO C=C(CC)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC000880338727 591007741 /nfs/dbraw/zinc/00/77/41/591007741.db2.gz CTQPNKMFQFJSOU-LBPRGKRZSA-N 1 2 241.331 1.510 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC=C[C@H]2CO)c(Cl)c1 ZINC000880488278 591063173 /nfs/dbraw/zinc/06/31/73/591063173.db2.gz BIJNEQSWSFQAOX-LBPRGKRZSA-N 1 2 248.713 1.944 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC=C[C@H]2CO)c(Cl)c1 ZINC000880488278 591063177 /nfs/dbraw/zinc/06/31/77/591063177.db2.gz BIJNEQSWSFQAOX-LBPRGKRZSA-N 1 2 248.713 1.944 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)OC ZINC000880504584 591079167 /nfs/dbraw/zinc/07/91/67/591079167.db2.gz XGHIUCNAUWQHKR-LOWVWBTDSA-N 1 2 239.315 1.405 20 30 BDEDLO C=C[C@](C)(O)c1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000881323677 591190420 /nfs/dbraw/zinc/19/04/20/591190420.db2.gz NQMUXDPOGHMFNP-ZDUSSCGKSA-N 1 2 244.298 1.423 20 30 BDEDLO C=C(Cl)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000881426659 591204090 /nfs/dbraw/zinc/20/40/90/591204090.db2.gz OGYIFEJAPTXXQH-UHFFFAOYSA-N 1 2 244.726 1.109 20 30 BDEDLO C=C(Cl)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000881426659 591204092 /nfs/dbraw/zinc/20/40/92/591204092.db2.gz OGYIFEJAPTXXQH-UHFFFAOYSA-N 1 2 244.726 1.109 20 30 BDEDLO Cc1ccc(NCc2[nH+]ccn2C)c(C#N)n1 ZINC000881917591 591277847 /nfs/dbraw/zinc/27/78/47/591277847.db2.gz ZERRPQBDPUQVKL-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C=CCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800177696 591832668 /nfs/dbraw/zinc/83/26/68/591832668.db2.gz LNNSJTOWIFBALE-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800177696 591832671 /nfs/dbraw/zinc/83/26/71/591832671.db2.gz LNNSJTOWIFBALE-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO CCc1nc(N2CC(CC#N)C2)cc[nH+]1 ZINC000884555723 591978744 /nfs/dbraw/zinc/97/87/44/591978744.db2.gz YFGJVISQTLCWPG-UHFFFAOYSA-N 1 2 202.261 1.389 20 30 BDEDLO C#C[C@@H](Nc1cc[nH+]c(CC)n1)C1CCOCC1 ZINC000884559377 591978985 /nfs/dbraw/zinc/97/89/85/591978985.db2.gz STMPXVJAGUZZOX-GFCCVEGCSA-N 1 2 245.326 1.879 20 30 BDEDLO C#C[C@H](Nc1cc[nH+]c(CC)n1)C1CCOCC1 ZINC000884559378 591979141 /nfs/dbraw/zinc/97/91/41/591979141.db2.gz STMPXVJAGUZZOX-LBPRGKRZSA-N 1 2 245.326 1.879 20 30 BDEDLO C#CC[C@H](COC)Nc1cc[nH+]c(CC)n1 ZINC000884567266 591981668 /nfs/dbraw/zinc/98/16/68/591981668.db2.gz GCQSOJMXHGVJPE-SNVBAGLBSA-N 1 2 219.288 1.489 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cc(C)co2)nn1 ZINC000886149676 592163945 /nfs/dbraw/zinc/16/39/45/592163945.db2.gz VDEGAXULKFMAHJ-UHFFFAOYSA-N 1 2 232.287 1.655 20 30 BDEDLO CC[N@H+](C[C@@H]1C[C@]12CCOC2)[C@@H](C)C#N ZINC000886284369 592199990 /nfs/dbraw/zinc/19/99/90/592199990.db2.gz VESMGSJFOQBWHF-SRVKXCTJSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@@H](C)C#N ZINC000886284369 592199991 /nfs/dbraw/zinc/19/99/91/592199991.db2.gz VESMGSJFOQBWHF-SRVKXCTJSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[N@H+](C[C@@H]1C[C@@]12CCOC2)[C@@H](C)C#N ZINC000886284368 592200534 /nfs/dbraw/zinc/20/05/34/592200534.db2.gz VESMGSJFOQBWHF-SDDRHHMPSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@@H](C)C#N ZINC000886284368 592200535 /nfs/dbraw/zinc/20/05/35/592200535.db2.gz VESMGSJFOQBWHF-SDDRHHMPSA-N 1 2 208.305 1.647 20 30 BDEDLO C#CCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC000886789953 592323114 /nfs/dbraw/zinc/32/31/14/592323114.db2.gz KPQOMQXUYDOUJW-UHFFFAOYSA-N 1 2 231.299 1.335 20 30 BDEDLO C#CCC1(NC(=O)CNc2cccc[nH+]2)CCC1 ZINC000886800331 592331489 /nfs/dbraw/zinc/33/14/89/592331489.db2.gz NYQZZXYHZQBFEZ-UHFFFAOYSA-N 1 2 243.310 1.556 20 30 BDEDLO C=C(CC)C[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886946840 592401371 /nfs/dbraw/zinc/40/13/71/592401371.db2.gz SCWNOUPSMBPPNM-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO C[N@H+](CCCF)Cc1nc(C#N)cs1 ZINC000887142518 592459962 /nfs/dbraw/zinc/45/99/62/592459962.db2.gz NWBBFUGFROGZHS-UHFFFAOYSA-N 1 2 213.281 1.806 20 30 BDEDLO C[N@@H+](CCCF)Cc1nc(C#N)cs1 ZINC000887142518 592459965 /nfs/dbraw/zinc/45/99/65/592459965.db2.gz NWBBFUGFROGZHS-UHFFFAOYSA-N 1 2 213.281 1.806 20 30 BDEDLO C[N@H+](Cc1ccc(N)nc1)[C@H]1CCC[C@@H]1C#N ZINC000931477529 634505246 /nfs/dbraw/zinc/50/52/46/634505246.db2.gz YHWHWKJXUVNBJJ-NEPJUHHUSA-N 1 2 230.315 1.788 20 30 BDEDLO C[N@@H+](Cc1ccc(N)nc1)[C@H]1CCC[C@@H]1C#N ZINC000931477529 634505248 /nfs/dbraw/zinc/50/52/48/634505248.db2.gz YHWHWKJXUVNBJJ-NEPJUHHUSA-N 1 2 230.315 1.788 20 30 BDEDLO 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BDEDLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1C#N ZINC000934567693 631933791 /nfs/dbraw/zinc/93/37/91/631933791.db2.gz RGTVYLPZDVLGQP-UONOGXRCSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1C#N ZINC000934567693 631933801 /nfs/dbraw/zinc/93/38/01/631933801.db2.gz RGTVYLPZDVLGQP-UONOGXRCSA-N 1 2 248.301 1.771 20 30 BDEDLO COc1cc(C)c(C[NH2+]CCC#N)c(C)n1 ZINC000309725163 632661698 /nfs/dbraw/zinc/66/16/98/632661698.db2.gz XOFMXVPKTPATEI-UHFFFAOYSA-N 1 2 219.288 1.710 20 30 BDEDLO C=CC[N@@H+](CCC[C@@H](C)O)CC(=O)OCC ZINC000309263448 632859311 /nfs/dbraw/zinc/85/93/11/632859311.db2.gz ITGHVTVMOQBACO-LLVKDONJSA-N 1 2 229.320 1.199 20 30 BDEDLO C=CC[N@H+](CCC[C@@H](C)O)CC(=O)OCC ZINC000309263448 632859315 /nfs/dbraw/zinc/85/93/15/632859315.db2.gz ITGHVTVMOQBACO-LLVKDONJSA-N 1 2 229.320 1.199 20 30 BDEDLO C#CCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000309385115 633906268 /nfs/dbraw/zinc/90/62/68/633906268.db2.gz AIDBDKHCMUSVTP-UHFFFAOYSA-N 1 2 218.256 1.163 20 30 BDEDLO 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BDEDLO C=CC[C@@H]([NH2+]CC(CC)(CC)OC)C(=O)OC ZINC000905770993 637924799 /nfs/dbraw/zinc/92/47/99/637924799.db2.gz PUINOFOEGORUQF-LLVKDONJSA-N 1 2 243.347 1.899 20 30 BDEDLO N#C[C@H]1CC[C@@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000911288389 639619058 /nfs/dbraw/zinc/61/90/58/639619058.db2.gz NXSKLTVEVQRWIO-WDEREUQCSA-N 1 2 244.298 1.302 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cncc(C#N)c1 ZINC000930691867 639861855 /nfs/dbraw/zinc/86/18/55/639861855.db2.gz BCXMWFMXSMYUAK-LBPRGKRZSA-N 1 2 214.272 1.735 20 30 BDEDLO Cc1cc(C)c(C(=O)N2CC(CC#N)C2)c(C)[nH+]1 ZINC000912395826 640051187 /nfs/dbraw/zinc/05/11/87/640051187.db2.gz LLMOEVBXRIRRPF-UHFFFAOYSA-N 1 2 243.310 1.993 20 30 BDEDLO CC1(C)C[N@H+](C[C@H](O)CC#N)[C@H]1c1ccncc1 ZINC000931085278 640065620 /nfs/dbraw/zinc/06/56/20/640065620.db2.gz XJDVCTJDHHDRMC-OLZOCXBDSA-N 1 2 245.326 1.739 20 30 BDEDLO CC1(C)C[N@@H+](C[C@H](O)CC#N)[C@H]1c1ccncc1 ZINC000931085278 640065627 /nfs/dbraw/zinc/06/56/27/640065627.db2.gz XJDVCTJDHHDRMC-OLZOCXBDSA-N 1 2 245.326 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232.331 1.681 20 30 BDEDLO Cc1noc(CCC[N@@H+]2CCC[C@@H](C#N)C2)n1 ZINC000932152851 640442926 /nfs/dbraw/zinc/44/29/26/640442926.db2.gz UBLOJCSBAXUTCG-NSHDSACASA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1noc(CCC[N@H+]2CCC[C@@H](C#N)C2)n1 ZINC000932152851 640442935 /nfs/dbraw/zinc/44/29/35/640442935.db2.gz UBLOJCSBAXUTCG-NSHDSACASA-N 1 2 234.303 1.546 20 30 BDEDLO CCOC(=O)CCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932152495 640442976 /nfs/dbraw/zinc/44/29/76/640442976.db2.gz JPHZXYYKQPJBEE-LLVKDONJSA-N 1 2 224.304 1.565 20 30 BDEDLO CCOC(=O)CCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932152495 640442984 /nfs/dbraw/zinc/44/29/84/640442984.db2.gz JPHZXYYKQPJBEE-LLVKDONJSA-N 1 2 224.304 1.565 20 30 BDEDLO C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000932348253 640490950 /nfs/dbraw/zinc/49/09/50/640490950.db2.gz DOUKMYTVSPRHRX-VXGBXAGGSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000932348253 640490959 /nfs/dbraw/zinc/49/09/59/640490959.db2.gz DOUKMYTVSPRHRX-VXGBXAGGSA-N 1 2 221.304 1.541 20 30 BDEDLO C#CC[N@@H+](CC(=O)OCC(C)C)C(C)C ZINC000932388685 640516659 /nfs/dbraw/zinc/51/66/59/640516659.db2.gz SMUWLQCGSXZQIC-UHFFFAOYSA-N 1 2 211.305 1.529 20 30 BDEDLO C#CC[N@H+](CC(=O)OCC(C)C)C(C)C ZINC000932388685 640516666 /nfs/dbraw/zinc/51/66/66/640516666.db2.gz SMUWLQCGSXZQIC-UHFFFAOYSA-N 1 2 211.305 1.529 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C)nn1)C(C)(C)C ZINC000932463852 640538877 /nfs/dbraw/zinc/53/88/77/640538877.db2.gz PGVRPNYEXZUTIJ-UHFFFAOYSA-N 1 2 206.293 1.049 20 30 BDEDLO C#CC[N@H+](Cc1cn(C)nn1)C(C)(C)C ZINC000932463852 640538882 /nfs/dbraw/zinc/53/88/82/640538882.db2.gz PGVRPNYEXZUTIJ-UHFFFAOYSA-N 1 2 206.293 1.049 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030054313 640551631 /nfs/dbraw/zinc/55/16/31/640551631.db2.gz NKOUGNBWPWBICC-UHFFFAOYSA-N 1 2 231.299 1.072 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2F)C1 ZINC001030059182 640556620 /nfs/dbraw/zinc/55/66/20/640556620.db2.gz BFMZEODHTGDOKK-UHFFFAOYSA-N 1 2 246.285 1.263 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(CF)CCC2)CC1 ZINC000950587466 640788067 /nfs/dbraw/zinc/78/80/67/640788067.db2.gz UAQBJBQPCUDIEV-UHFFFAOYSA-N 1 2 240.322 1.456 20 30 BDEDLO C=CCNC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934005833 640805682 /nfs/dbraw/zinc/80/56/82/640805682.db2.gz DAJFYXGFDMJZQE-UHFFFAOYSA-N 1 2 234.299 1.546 20 30 BDEDLO C=CCNC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005833 640805689 /nfs/dbraw/zinc/80/56/89/640805689.db2.gz DAJFYXGFDMJZQE-UHFFFAOYSA-N 1 2 234.299 1.546 20 30 BDEDLO C#CC[N@@H+]1CCOc2cc(C(=O)OC)ccc2C1 ZINC000934430800 641142814 /nfs/dbraw/zinc/14/28/14/641142814.db2.gz BDEJPVTTXBYCHI-UHFFFAOYSA-N 1 2 245.278 1.301 20 30 BDEDLO C#CC[N@H+]1CCOc2cc(C(=O)OC)ccc2C1 ZINC000934430800 641142818 /nfs/dbraw/zinc/14/28/18/641142818.db2.gz BDEJPVTTXBYCHI-UHFFFAOYSA-N 1 2 245.278 1.301 20 30 BDEDLO C#CC1(O)C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC000934449511 641148348 /nfs/dbraw/zinc/14/83/48/641148348.db2.gz ZUSXVTNSVRZBPE-VIFPVBQESA-N 1 2 215.243 1.102 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(C2CC2)nn1C ZINC000934460943 641154025 /nfs/dbraw/zinc/15/40/25/641154025.db2.gz UDVVNWVBEKQLTQ-LLVKDONJSA-N 1 2 232.331 1.843 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000934460943 641154028 /nfs/dbraw/zinc/15/40/28/641154028.db2.gz UDVVNWVBEKQLTQ-LLVKDONJSA-N 1 2 232.331 1.843 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnnn1CCCC ZINC000934471873 641164453 /nfs/dbraw/zinc/16/44/53/641164453.db2.gz OQWXGWNFJHHUOR-LLVKDONJSA-N 1 2 235.335 1.624 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnnn1CCCC ZINC000934471873 641164461 /nfs/dbraw/zinc/16/44/61/641164461.db2.gz OQWXGWNFJHHUOR-LLVKDONJSA-N 1 2 235.335 1.624 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1nccn1C ZINC000934511628 641178434 /nfs/dbraw/zinc/17/84/34/641178434.db2.gz QTEUIICEVLFPLG-NSHDSACASA-N 1 2 203.289 1.408 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nccn1C ZINC000934511628 641178438 /nfs/dbraw/zinc/17/84/38/641178438.db2.gz QTEUIICEVLFPLG-NSHDSACASA-N 1 2 203.289 1.408 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)c1cccn1C ZINC000934513315 641180179 /nfs/dbraw/zinc/18/01/79/641180179.db2.gz MCPUIHQSWYFKHH-GFCCVEGCSA-N 1 2 230.311 1.696 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)c1cccn1C ZINC000934513315 641180182 /nfs/dbraw/zinc/18/01/82/641180182.db2.gz MCPUIHQSWYFKHH-GFCCVEGCSA-N 1 2 230.311 1.696 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001030812540 641364263 /nfs/dbraw/zinc/36/42/63/641364263.db2.gz QRRIHVINOAQGKU-GFCCVEGCSA-N 1 2 236.359 1.799 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030923491 641424282 /nfs/dbraw/zinc/42/42/82/641424282.db2.gz ACWILQZQONHRCB-IUODEOHRSA-N 1 2 246.354 1.390 20 30 BDEDLO C#Cc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000041639345 641545037 /nfs/dbraw/zinc/54/50/37/641545037.db2.gz GQPQSCNARBCXIP-UHFFFAOYSA-N 1 2 239.278 1.893 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCC2)C1 ZINC000949547847 641842868 /nfs/dbraw/zinc/84/28/68/641842868.db2.gz JDICZSKLIPJATK-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC000950551970 641928507 /nfs/dbraw/zinc/92/85/07/641928507.db2.gz NVFJIZGJUXJKIZ-SNVBAGLBSA-N 1 2 246.301 1.608 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444664263 642149824 /nfs/dbraw/zinc/14/98/24/642149824.db2.gz QMYOBDOADLKSMH-WDEREUQCSA-N 1 2 246.314 1.286 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC)C1 ZINC000964525016 642753965 /nfs/dbraw/zinc/75/39/65/642753965.db2.gz BSFCKKXVUZKHON-GXSJLCMTSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CC)C1 ZINC000964525016 642753975 /nfs/dbraw/zinc/75/39/75/642753975.db2.gz BSFCKKXVUZKHON-GXSJLCMTSA-N 1 2 244.766 1.976 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001017288320 642969078 /nfs/dbraw/zinc/96/90/78/642969078.db2.gz ZRUVSBHWQXPLKB-BETUJISGSA-N 1 2 232.327 1.095 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001017288320 642969086 /nfs/dbraw/zinc/96/90/86/642969086.db2.gz ZRUVSBHWQXPLKB-BETUJISGSA-N 1 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642981613 /nfs/dbraw/zinc/98/16/13/642981613.db2.gz VIBDQWOAJCUMCA-SYQHCUMBSA-N 1 2 246.354 1.341 20 30 BDEDLO CC[N@H+](C/C=C(\C)C(=O)OC)C[C@H](C)C#N ZINC000252665061 643085118 /nfs/dbraw/zinc/08/51/18/643085118.db2.gz BKSJNGYGTYUNLY-VUUNSECVSA-N 1 2 224.304 1.587 20 30 BDEDLO CC[N@@H+](C/C=C(\C)C(=O)OC)C[C@H](C)C#N ZINC000252665061 643085126 /nfs/dbraw/zinc/08/51/26/643085126.db2.gz BKSJNGYGTYUNLY-VUUNSECVSA-N 1 2 224.304 1.587 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1CCC=C(Br)C1 ZINC000306556278 643180240 /nfs/dbraw/zinc/18/02/40/643180240.db2.gz GKQVBAJDCLPUOB-JTQLQIEISA-N 1 2 246.148 1.908 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1CCC=C(Br)C1 ZINC000306556278 643180246 /nfs/dbraw/zinc/18/02/46/643180246.db2.gz GKQVBAJDCLPUOB-JTQLQIEISA-N 1 2 246.148 1.908 20 30 BDEDLO C=CC[NH+](CC=C)Cc1nn(C)cc1C ZINC000929259755 643845188 /nfs/dbraw/zinc/84/51/88/643845188.db2.gz MIRWLMDULRPFNU-UHFFFAOYSA-N 1 2 205.305 1.903 20 30 BDEDLO C#CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000922211045 643904656 /nfs/dbraw/zinc/90/46/56/643904656.db2.gz ASMKCWFKQWYPGV-UHFFFAOYSA-N 1 2 217.272 1.014 20 30 BDEDLO Cn1c[nH+]cc1CN[C@@H](CC#N)C(F)(F)F ZINC000922646668 644051221 /nfs/dbraw/zinc/05/12/21/644051221.db2.gz KIAARZUKRBEPOY-QMMMGPOBSA-N 1 2 232.209 1.354 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC23CC3)C1 ZINC000952348575 644374419 /nfs/dbraw/zinc/37/44/19/644374419.db2.gz NSBYJZIBMYXBTR-GFCCVEGCSA-N 1 2 234.343 1.505 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)OCC)CC1 ZINC000752853583 644603716 /nfs/dbraw/zinc/60/37/16/644603716.db2.gz CLCMDIGTNQXPPJ-GFCCVEGCSA-N 1 2 238.331 1.562 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000834364024 645140207 /nfs/dbraw/zinc/14/02/07/645140207.db2.gz QGDHMFRLKFIMGV-QJPTWQEYSA-N 1 2 245.326 1.442 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000834552769 645144935 /nfs/dbraw/zinc/14/49/35/645144935.db2.gz UZWGOBTZEWUMKC-GMTAPVOTSA-N 1 2 231.299 1.004 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC(=O)CC12CCC2 ZINC000847004352 645413340 /nfs/dbraw/zinc/41/33/40/645413340.db2.gz WJRZGMNQYMYJSF-LLVKDONJSA-N 1 2 236.315 1.503 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC(=O)CC12CCC2 ZINC000847004352 645413344 /nfs/dbraw/zinc/41/33/44/645413344.db2.gz WJRZGMNQYMYJSF-LLVKDONJSA-N 1 2 236.315 1.503 20 30 BDEDLO C=CCOCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000927776780 645656610 /nfs/dbraw/zinc/65/66/10/645656610.db2.gz MCGXOALARPCORH-UHFFFAOYSA-N 1 2 249.314 1.263 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000862579372 645702192 /nfs/dbraw/zinc/70/21/92/645702192.db2.gz VZMCWYIGLKZENX-NWDGAFQWSA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000862579372 645702201 /nfs/dbraw/zinc/70/22/01/645702201.db2.gz VZMCWYIGLKZENX-NWDGAFQWSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878705316 645823169 /nfs/dbraw/zinc/82/31/69/645823169.db2.gz UQFLAVVBRWTUAX-OLZOCXBDSA-N 1 2 237.343 1.668 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878705316 645823161 /nfs/dbraw/zinc/82/31/61/645823161.db2.gz UQFLAVVBRWTUAX-OLZOCXBDSA-N 1 2 237.343 1.668 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878705317 645823702 /nfs/dbraw/zinc/82/37/02/645823702.db2.gz UQFLAVVBRWTUAX-QWHCGFSZSA-N 1 2 237.343 1.668 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878705317 645823705 /nfs/dbraw/zinc/82/37/05/645823705.db2.gz UQFLAVVBRWTUAX-QWHCGFSZSA-N 1 2 237.343 1.668 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[Si](C)(C)C ZINC000879475954 645829101 /nfs/dbraw/zinc/82/91/01/645829101.db2.gz VJYMNUSEDLWOCN-UHFFFAOYSA-N 1 2 228.368 1.252 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[Si](C)(C)C ZINC000879475954 645829103 /nfs/dbraw/zinc/82/91/03/645829103.db2.gz VJYMNUSEDLWOCN-UHFFFAOYSA-N 1 2 228.368 1.252 20 30 BDEDLO C#CCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000132811701 645854722 /nfs/dbraw/zinc/85/47/22/645854722.db2.gz CGAQUPRBSMNNPL-UHFFFAOYSA-N 1 2 220.238 1.190 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)c1ccc(F)nc1 ZINC000929759105 646291532 /nfs/dbraw/zinc/29/15/32/646291532.db2.gz WIBYGYLLMPQCNB-NSHDSACASA-N 1 2 216.259 1.850 20 30 BDEDLO Cc1nnc(CC[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000930085481 646426996 /nfs/dbraw/zinc/42/69/96/646426996.db2.gz FBHJKRUEYSIDOC-SECBINFHSA-N 1 2 234.303 1.545 20 30 BDEDLO Cc1nnc(CC[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000930085481 646426999 /nfs/dbraw/zinc/42/69/99/646426999.db2.gz FBHJKRUEYSIDOC-SECBINFHSA-N 1 2 234.303 1.545 20 30 BDEDLO COC(=O)/C=C(\C)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000930086691 646427023 /nfs/dbraw/zinc/42/70/23/646427023.db2.gz IEFQMXKFVRTSMU-CDCCAWJDSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C=C(\C)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000930086691 646427026 /nfs/dbraw/zinc/42/70/26/646427026.db2.gz IEFQMXKFVRTSMU-CDCCAWJDSA-N 1 2 236.315 1.730 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cscn1)[C@H]1CCCO1 ZINC000393731180 711676618 /nfs/dbraw/zinc/67/66/18/711676618.db2.gz PTSIUFCLOQKGGF-WDEREUQCSA-N 1 2 222.313 1.414 20 30 BDEDLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928800135 711786793 /nfs/dbraw/zinc/78/67/93/711786793.db2.gz IUQRYUORRLMBPE-SFYZADRCSA-N 1 2 249.236 1.041 20 30 BDEDLO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928800135 711786795 /nfs/dbraw/zinc/78/67/95/711786795.db2.gz IUQRYUORRLMBPE-SFYZADRCSA-N 1 2 249.236 1.041 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001038406061 710685352 /nfs/dbraw/zinc/68/53/52/710685352.db2.gz BLWUOUJMBOKCAI-OLZOCXBDSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001038406061 710685354 /nfs/dbraw/zinc/68/53/54/710685354.db2.gz BLWUOUJMBOKCAI-OLZOCXBDSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1CC ZINC001038662869 710700340 /nfs/dbraw/zinc/70/03/40/710700340.db2.gz VRCAINNPUVCKSO-GFCCVEGCSA-N 1 2 246.310 1.279 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1CC ZINC001038662869 710700345 /nfs/dbraw/zinc/70/03/45/710700345.db2.gz VRCAINNPUVCKSO-GFCCVEGCSA-N 1 2 246.310 1.279 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001038836242 710711028 /nfs/dbraw/zinc/71/10/28/710711028.db2.gz KURZWRDRGJORHD-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001038836242 710711032 /nfs/dbraw/zinc/71/10/32/710711032.db2.gz KURZWRDRGJORHD-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO CC(C)CN(CCC#N)Cc1c[nH+]cn1C ZINC000380462179 712901151 /nfs/dbraw/zinc/90/11/51/712901151.db2.gz JTOWNXKQARUYFL-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)C)C1 ZINC001042486601 710787726 /nfs/dbraw/zinc/78/77/26/710787726.db2.gz XYHVCFRWMRQSMZ-UHFFFAOYSA-N 1 2 210.321 1.361 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2occc2C)C1 ZINC001042479411 710785538 /nfs/dbraw/zinc/78/55/38/710785538.db2.gz VTIHJZBWEMNCTB-UHFFFAOYSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001043405981 710807473 /nfs/dbraw/zinc/80/74/73/710807473.db2.gz JCFHYJNLTXUEFS-IUODEOHRSA-N 1 2 246.354 1.343 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001043816572 710814660 /nfs/dbraw/zinc/81/46/60/710814660.db2.gz ZJPWQGAFUSDDEW-UHFFFAOYSA-N 1 2 246.354 1.509 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC23CC3)C1 ZINC001043967782 710816196 /nfs/dbraw/zinc/81/61/96/710816196.db2.gz FMKQARJRKOODMF-LLVKDONJSA-N 1 2 220.316 1.115 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(C#N)ccn1 ZINC000903108809 710892941 /nfs/dbraw/zinc/89/29/41/710892941.db2.gz HGGYUXMXYSUOAB-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO N#CCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000381317496 710622141 /nfs/dbraw/zinc/62/21/41/710622141.db2.gz UIGUVVAYJMITTJ-UHFFFAOYSA-N 1 2 219.244 1.231 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1occc1CC ZINC001038659819 710698723 /nfs/dbraw/zinc/69/87/23/710698723.db2.gz COLGGJVKUQIQML-LBPRGKRZSA-N 1 2 248.326 1.832 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1CC ZINC001038659819 710698727 /nfs/dbraw/zinc/69/87/27/710698727.db2.gz COLGGJVKUQIQML-LBPRGKRZSA-N 1 2 248.326 1.832 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C ZINC001038041437 711568385 /nfs/dbraw/zinc/56/83/85/711568385.db2.gz GFDDSGCIJDYXML-LBPRGKRZSA-N 1 2 246.310 1.415 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1C ZINC001038041437 711568387 /nfs/dbraw/zinc/56/83/87/711568387.db2.gz GFDDSGCIJDYXML-LBPRGKRZSA-N 1 2 246.310 1.415 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724646602 711604724 /nfs/dbraw/zinc/60/47/24/711604724.db2.gz NEMDZXFMQGFGOR-ZDEQEGDKSA-N 1 2 236.315 1.026 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724646602 711604726 /nfs/dbraw/zinc/60/47/26/711604726.db2.gz NEMDZXFMQGFGOR-ZDEQEGDKSA-N 1 2 236.315 1.026 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724936150 711631187 /nfs/dbraw/zinc/63/11/87/711631187.db2.gz LSBSEFVIOXIYLG-NWDGAFQWSA-N 1 2 224.304 1.027 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724936150 711631190 /nfs/dbraw/zinc/63/11/90/711631190.db2.gz LSBSEFVIOXIYLG-NWDGAFQWSA-N 1 2 224.304 1.027 20 30 BDEDLO N#Cc1cncc(C[NH+]2CCC(C#N)CC2)c1 ZINC000721597985 711656647 /nfs/dbraw/zinc/65/66/47/711656647.db2.gz VAHSBEIDSVUTQX-UHFFFAOYSA-N 1 2 226.283 1.689 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1c2c(nn1C)CCC2 ZINC000893544888 711733273 /nfs/dbraw/zinc/73/32/73/711733273.db2.gz PFGSXDUJKIRCEF-VIFPVBQESA-N 1 2 218.304 1.158 20 30 BDEDLO Cc1cc(C)n2c(C[NH2+]CCC#N)cnc2n1 ZINC000425965210 711763683 /nfs/dbraw/zinc/76/36/83/711763683.db2.gz SPAADFAKQXIFQN-UHFFFAOYSA-N 1 2 229.287 1.349 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C)o2)C1 ZINC001030227033 711828798 /nfs/dbraw/zinc/82/87/98/711828798.db2.gz IKLFZBVJLUCVAP-UHFFFAOYSA-N 1 2 248.326 1.507 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001038094945 711841121 /nfs/dbraw/zinc/84/11/21/711841121.db2.gz FEJWFFODPXZJMM-AWEZNQCLSA-N 1 2 248.370 1.781 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001038094945 711841123 /nfs/dbraw/zinc/84/11/23/711841123.db2.gz FEJWFFODPXZJMM-AWEZNQCLSA-N 1 2 248.370 1.781 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001032570301 711926010 /nfs/dbraw/zinc/92/60/10/711926010.db2.gz RUDKXKQXABBWCB-KCQAQPDRSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001032570301 711926011 /nfs/dbraw/zinc/92/60/11/711926011.db2.gz RUDKXKQXABBWCB-KCQAQPDRSA-N 1 2 244.338 1.261 20 30 BDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(C)=O)CC2 ZINC001035624718 712137613 /nfs/dbraw/zinc/13/76/13/712137613.db2.gz FBGVJQQTLJEUKV-UHFFFAOYSA-N 1 2 242.750 1.683 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000847026957 712608328 /nfs/dbraw/zinc/60/83/28/712608328.db2.gz INRKRGJBPWFWHH-NSHDSACASA-N 1 2 247.298 1.267 20 30 BDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000847026957 712608329 /nfs/dbraw/zinc/60/83/29/712608329.db2.gz INRKRGJBPWFWHH-NSHDSACASA-N 1 2 247.298 1.267 20 30 BDEDLO C#CC[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000884596645 712647552 /nfs/dbraw/zinc/64/75/52/712647552.db2.gz IGIZFLMKFSLHNG-NSHDSACASA-N 1 2 216.284 1.424 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000932153110 712715517 /nfs/dbraw/zinc/71/55/17/712715517.db2.gz MZEIJBJQYYXHKU-QWHCGFSZSA-N 1 2 238.331 1.765 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000932153110 712715519 /nfs/dbraw/zinc/71/55/19/712715519.db2.gz MZEIJBJQYYXHKU-QWHCGFSZSA-N 1 2 238.331 1.765 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000932153109 712715859 /nfs/dbraw/zinc/71/58/59/712715859.db2.gz MZEIJBJQYYXHKU-OLZOCXBDSA-N 1 2 238.331 1.765 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000932153109 712715860 /nfs/dbraw/zinc/71/58/60/712715860.db2.gz MZEIJBJQYYXHKU-OLZOCXBDSA-N 1 2 238.331 1.765 20 30 BDEDLO C#CCC[C@H](O)CNc1cc(NCCC)[nH+]cn1 ZINC000717957209 712735061 /nfs/dbraw/zinc/73/50/61/712735061.db2.gz VCJFWUIVJUAWAQ-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO C#CCC[C@H](O)CNc1cc(NCCC)nc[nH+]1 ZINC000717957209 712735062 /nfs/dbraw/zinc/73/50/62/712735062.db2.gz VCJFWUIVJUAWAQ-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO C=CC[NH+]1CCN(c2ncc(C)cc2C#N)CC1 ZINC001165033516 721864129 /nfs/dbraw/zinc/86/41/29/721864129.db2.gz QPWPRKFNDOISEO-UHFFFAOYSA-N 1 2 242.326 1.570 20 30 BDEDLO C=CC[NH+]1CCN(c2nccc(F)c2C#N)CC1 ZINC001165032111 721868318 /nfs/dbraw/zinc/86/83/18/721868318.db2.gz HYNUYOPJZDWDDB-UHFFFAOYSA-N 1 2 246.289 1.400 20 30 BDEDLO C=CCCCC(=O)NC1C[NH+](CCOCC)C1 ZINC001268445704 961784058 /nfs/dbraw/zinc/78/40/58/961784058.db2.gz PVKQGQKVTXQQDW-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000695872195 967826657 /nfs/dbraw/zinc/82/66/57/967826657.db2.gz ODFKENGSYLYPEY-UWVGGRQHSA-N 1 2 235.335 1.794 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@H](CCCC)C(=O)OC ZINC001252582919 968835592 /nfs/dbraw/zinc/83/55/92/968835592.db2.gz ZBGHDFKUYMQRST-PWSUYJOCSA-N 1 2 229.320 1.245 20 30 BDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)C=C ZINC001253601584 969297384 /nfs/dbraw/zinc/29/73/84/969297384.db2.gz SNNOUZDIWNIKEV-RYUDHWBXSA-N 1 2 241.331 1.267 20 30 BDEDLO C=CC[C@@](C)([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC001254374258 969586700 /nfs/dbraw/zinc/58/67/00/969586700.db2.gz IMSVLRGWGMLMPT-ZYHUDNBSSA-N 1 2 227.304 1.263 20 30 BDEDLO CCOC(=O)C1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001255264288 970010682 /nfs/dbraw/zinc/01/06/82/970010682.db2.gz HBDWANWNVPXSSD-VOMCLLRMSA-N 1 2 238.331 1.952 20 30 BDEDLO CCOC(=O)C1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001255264288 970010689 /nfs/dbraw/zinc/01/06/89/970010689.db2.gz HBDWANWNVPXSSD-VOMCLLRMSA-N 1 2 238.331 1.952 20 30 BDEDLO CC1(C#N)C[NH+]([C@H]2CCOC(C)(C)C2)C1 ZINC001255537290 970308352 /nfs/dbraw/zinc/30/83/52/970308352.db2.gz UCHVWXUKQBWLNR-JTQLQIEISA-N 1 2 208.305 1.789 20 30 BDEDLO CC1(C#N)C[NH+](C2CCC3(CC2)OCCO3)C1 ZINC001255622300 970402116 /nfs/dbraw/zinc/40/21/16/970402116.db2.gz GAMABXLHBUJIES-UHFFFAOYSA-N 1 2 236.315 1.518 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001113468150 970442306 /nfs/dbraw/zinc/44/23/06/970442306.db2.gz DNKINTXJPABBPR-CHWSQXEVSA-N 1 2 238.375 1.999 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)CCCO1 ZINC001233045546 978427012 /nfs/dbraw/zinc/42/70/12/978427012.db2.gz FFUUSHOUHABYSC-SNVBAGLBSA-N 1 2 219.288 1.497 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCCO1 ZINC001233045546 978427020 /nfs/dbraw/zinc/42/70/20/978427020.db2.gz FFUUSHOUHABYSC-SNVBAGLBSA-N 1 2 219.288 1.497 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC001233077440 978462120 /nfs/dbraw/zinc/46/21/20/978462120.db2.gz OQIVGQNIDCMBCS-UHFFFAOYSA-N 1 2 211.211 1.735 20 30 BDEDLO CC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001233383640 978593727 /nfs/dbraw/zinc/59/37/27/978593727.db2.gz PGXHLBSOYYXPNM-UHFFFAOYSA-N 1 2 218.256 1.285 20 30 BDEDLO CC(=O)C[N@H+](C)Cc1ccc(C#N)cc1O ZINC001233383640 978593737 /nfs/dbraw/zinc/59/37/37/978593737.db2.gz PGXHLBSOYYXPNM-UHFFFAOYSA-N 1 2 218.256 1.285 20 30 BDEDLO C=C[C@](C)(O)CNc1cc[nH+]c(OCC)c1 ZINC001252543890 983809725 /nfs/dbraw/zinc/80/97/25/983809725.db2.gz XAKZNZYFGHMRFW-LBPRGKRZSA-N 1 2 222.288 1.829 20 30 BDEDLO CCOC(=O)C1([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172480346 974779081 /nfs/dbraw/zinc/77/90/81/974779081.db2.gz SABMJGCANOBRCB-JTQLQIEISA-N 1 2 224.304 1.754 20 30 BDEDLO C#CC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC001328880629 973378146 /nfs/dbraw/zinc/37/81/46/973378146.db2.gz DGMOVKWPDDTBNV-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC001257663128 971462825 /nfs/dbraw/zinc/46/28/25/971462825.db2.gz UGCOXJNSKFSYSJ-NXEZZACHSA-N 1 2 229.345 1.589 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(SC)cc[nH+]1 ZINC001158818147 971470887 /nfs/dbraw/zinc/47/08/87/971470887.db2.gz SWWRXHVNYCYDDG-QMMMGPOBSA-N 1 2 210.302 1.762 20 30 BDEDLO C[C@H]1COCC[C@@H]1Nc1[nH+]cccc1CC#N ZINC001170813514 971887749 /nfs/dbraw/zinc/88/77/49/971887749.db2.gz IFIUFPDOUADJCS-JQWIXIFHSA-N 1 2 231.299 1.985 20 30 BDEDLO C=CCN(CC=C)C(=O)CCc1[nH+]ccn1C ZINC001348415071 958377922 /nfs/dbraw/zinc/37/79/22/958377922.db2.gz CNHWJUGUZJPOJN-UHFFFAOYSA-N 1 2 233.315 1.553 20 30 BDEDLO CC(C)[N@H+](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000176408931 959219628 /nfs/dbraw/zinc/21/96/28/959219628.db2.gz IBAXXMPYZWPDDC-UHFFFAOYSA-N 1 2 247.298 1.543 20 30 BDEDLO CC(C)[N@@H+](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000176408931 959219653 /nfs/dbraw/zinc/21/96/53/959219653.db2.gz IBAXXMPYZWPDDC-UHFFFAOYSA-N 1 2 247.298 1.543 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001327125998 972426693 /nfs/dbraw/zinc/42/66/93/972426693.db2.gz BHWJAZHUGWBFBA-NEPJUHHUSA-N 1 2 231.299 1.316 20 30 BDEDLO C=CC[C@@H](C)C(=O)N1CC[NH+](CC=C)CC1 ZINC001144018219 972482993 /nfs/dbraw/zinc/48/29/93/972482993.db2.gz QNQIHJKFGCIGCL-GFCCVEGCSA-N 1 2 222.332 1.529 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)CCC)C1 ZINC001267640193 960158580 /nfs/dbraw/zinc/15/85/80/960158580.db2.gz AEAHXJGAFKSOCJ-LLVKDONJSA-N 1 2 222.332 1.246 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001144022314 972491812 /nfs/dbraw/zinc/49/18/12/972491812.db2.gz SHZDEMYWJYCHEC-SECBINFHSA-N 1 2 221.304 1.589 20 30 BDEDLO C#Cc1cc(Nc2cccc(CCO)c2)cc[nH+]1 ZINC001203105736 960977984 /nfs/dbraw/zinc/97/79/84/960977984.db2.gz CPBVDRUNPPWROP-UHFFFAOYSA-N 1 2 238.290 1.763 20 30 BDEDLO C[C@@H](C#N)N(C)Cc1cccn2cc[nH+]c12 ZINC001142959896 961856698 /nfs/dbraw/zinc/85/66/98/961856698.db2.gz DRCVMZUPHIDRJT-JTQLQIEISA-N 1 2 214.272 1.678 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001154807846 962855518 /nfs/dbraw/zinc/85/55/18/962855518.db2.gz CHPXOMCVGNNKCZ-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO C#CCNc1[nH+]ccc2cc(C(=O)OCC)[nH]c21 ZINC001155650676 963135579 /nfs/dbraw/zinc/13/55/79/963135579.db2.gz BKMFTZPLEVJLIQ-UHFFFAOYSA-N 1 2 243.266 1.785 20 30 BDEDLO Cc1cnc(N2CC[NH2+]C[C@@H]2C#N)cc1C ZINC001156332688 963317884 /nfs/dbraw/zinc/31/78/84/963317884.db2.gz LURPGZIGDMOJJZ-NSHDSACASA-N 1 2 216.288 1.000 20 30 BDEDLO Cc1cnc(NCc2cc[nH+]c(N)c2)c(C#N)n1 ZINC001156760633 963452847 /nfs/dbraw/zinc/45/28/47/963452847.db2.gz LGYISNSXKAEZOG-UHFFFAOYSA-N 1 2 240.270 1.246 20 30 BDEDLO N#Cc1cc(F)cnc1NCc1cc[nH+]c(N)c1 ZINC001156756375 963453442 /nfs/dbraw/zinc/45/34/42/963453442.db2.gz WLDCYNTWSMVJRC-UHFFFAOYSA-N 1 2 243.245 1.682 20 30 BDEDLO N#Cc1ccnc(NCc2cc[nH+]c(N)c2)c1F ZINC001156756725 963453763 /nfs/dbraw/zinc/45/37/63/963453763.db2.gz DUWDVYGKCNODQS-UHFFFAOYSA-N 1 2 243.245 1.682 20 30 BDEDLO Cc1nc(NCc2cc[nH+]c(N)c2)ccc1C#N ZINC001156757088 963454306 /nfs/dbraw/zinc/45/43/06/963454306.db2.gz KSXTUFGXGXNMDF-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(CC#N)cc[nH+]1 ZINC001158814975 963934100 /nfs/dbraw/zinc/93/41/00/963934100.db2.gz XHTSXXYLOGLMKI-JTQLQIEISA-N 1 2 203.245 1.106 20 30 BDEDLO C[C@@H]1COCC[C@@H]1Nc1cc(CC#N)cc[nH+]1 ZINC001159716134 964168410 /nfs/dbraw/zinc/16/84/10/964168410.db2.gz LWCURWWFJBWBHF-PWSUYJOCSA-N 1 2 231.299 1.985 20 30 BDEDLO CN(C)c1cc(NCCCS)[nH+]cn1 ZINC001159865589 964214352 /nfs/dbraw/zinc/21/43/52/964214352.db2.gz JIQWJTOCPSXWEO-UHFFFAOYSA-N 1 2 212.322 1.274 20 30 BDEDLO CN(C)c1cc(NCCCS)nc[nH+]1 ZINC001159865589 964214364 /nfs/dbraw/zinc/21/43/64/964214364.db2.gz JIQWJTOCPSXWEO-UHFFFAOYSA-N 1 2 212.322 1.274 20 30 BDEDLO Cc1c[nH+]c(NCC[C@@H](C)CO)c(/C=N/O)c1 ZINC001160608227 964355615 /nfs/dbraw/zinc/35/56/15/964355615.db2.gz QKYJCYOVNURMCR-NEFPKRPYSA-N 1 2 237.303 1.629 20 30 BDEDLO C=CC[NH2+]C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001483230167 964899918 /nfs/dbraw/zinc/89/99/18/964899918.db2.gz VONOVBHCVRVVIR-NKWVEPMBSA-N 1 2 242.216 1.167 20 30 BDEDLO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001483230167 964899930 /nfs/dbraw/zinc/89/99/30/964899930.db2.gz VONOVBHCVRVVIR-NKWVEPMBSA-N 1 2 242.216 1.167 20 30 BDEDLO C#CCCCNc1ccc(N(C)C)c[nH+]1 ZINC001162448479 964978792 /nfs/dbraw/zinc/97/87/92/964978792.db2.gz CBHRIPVLHJGOSB-UHFFFAOYSA-N 1 2 203.289 1.973 20 30 BDEDLO C=C(C)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001162683828 965117269 /nfs/dbraw/zinc/11/72/69/965117269.db2.gz MRWVIGZZRDVPSL-CYBMUJFWSA-N 1 2 247.342 1.857 20 30 BDEDLO C=C(C)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001162683828 965117275 /nfs/dbraw/zinc/11/72/75/965117275.db2.gz MRWVIGZZRDVPSL-CYBMUJFWSA-N 1 2 247.342 1.857 20 30 BDEDLO C#Cc1cccc(C[N@H+]2CCOC[C@H]2COC)c1 ZINC001231661623 965276721 /nfs/dbraw/zinc/27/67/21/965276721.db2.gz WDIDFZLBBLFRKZ-OAHLLOKOSA-N 1 2 245.322 1.515 20 30 BDEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@H]2COC)c1 ZINC001231661623 965276730 /nfs/dbraw/zinc/27/67/30/965276730.db2.gz WDIDFZLBBLFRKZ-OAHLLOKOSA-N 1 2 245.322 1.515 20 30 BDEDLO C=C(C)CNc1cc[nH+]c(C(=O)OC)c1C ZINC001163382129 965386651 /nfs/dbraw/zinc/38/66/51/965386651.db2.gz URVXEJYOIUMTRL-UHFFFAOYSA-N 1 2 220.272 1.587 20 30 BDEDLO COCC1CN(c2cc(CC#N)cc[nH+]2)C1 ZINC001163732734 965550542 /nfs/dbraw/zinc/55/05/42/965550542.db2.gz PVCKNBHEBFVUSJ-UHFFFAOYSA-N 1 2 217.272 1.230 20 30 BDEDLO CC(=O)C=C(C)Nc1c[nH+]c2c(c1)CCCN2 ZINC001163743010 965566654 /nfs/dbraw/zinc/56/66/54/965566654.db2.gz WSSFOSILEWQUAI-TWGQIWQCSA-N 1 2 231.299 1.632 20 30 BDEDLO C[C@@H]1CN(c2cc(CC#N)cc[nH+]2)CCC[C@H]1O ZINC001164226344 965805022 /nfs/dbraw/zinc/80/50/22/965805022.db2.gz DJSLTUPRCQOINT-DGCLKSJQSA-N 1 2 245.326 1.745 20 30 BDEDLO CC(C)c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164650827 965939341 /nfs/dbraw/zinc/93/93/41/965939341.db2.gz BRSWJJKVORBLSH-GFCCVEGCSA-N 1 2 230.315 1.507 20 30 BDEDLO C#Cc1cc(Nc2ccc(F)c(N)c2)cc[nH+]1 ZINC001212328142 966488384 /nfs/dbraw/zinc/48/83/84/966488384.db2.gz NKEJYMLMFMVYOO-UHFFFAOYSA-N 1 2 227.242 1.950 20 30 BDEDLO COC[C@H](Nc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001161723911 967618657 /nfs/dbraw/zinc/61/86/57/967618657.db2.gz VJMHGDIMPCDZLH-LBPRGKRZSA-N 1 2 231.299 1.985 20 30 BDEDLO N#Cc1cccc(C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001250289687 967629733 /nfs/dbraw/zinc/62/97/33/967629733.db2.gz YZPMCVMJKVYIDH-UHFFFAOYSA-N 1 2 211.224 1.707 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc2ccccc2cn1 ZINC001164642307 968256868 /nfs/dbraw/zinc/25/68/68/968256868.db2.gz USDPLXAUAKPEJR-CYBMUJFWSA-N 1 2 238.294 1.537 20 30 BDEDLO N#C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC001251195083 968272854 /nfs/dbraw/zinc/27/28/54/968272854.db2.gz XNNMVEPJCVKDKU-OLZOCXBDSA-N 1 2 246.310 1.272 20 30 BDEDLO N#C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC001251195083 968272865 /nfs/dbraw/zinc/27/28/65/968272865.db2.gz XNNMVEPJCVKDKU-OLZOCXBDSA-N 1 2 246.310 1.272 20 30 BDEDLO CC(C)CN(CCC#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001251455297 968288777 /nfs/dbraw/zinc/28/87/77/968288777.db2.gz FPYGNEKNHZSABV-GFCCVEGCSA-N 1 2 248.330 1.842 20 30 BDEDLO C=CC[C@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001119403739 968375306 /nfs/dbraw/zinc/37/53/06/968375306.db2.gz VLYGTEQZUVISHP-QWRGUYRKSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001119403739 968375313 /nfs/dbraw/zinc/37/53/13/968375313.db2.gz VLYGTEQZUVISHP-QWRGUYRKSA-N 1 2 227.304 1.215 20 30 BDEDLO C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC001119711391 968458443 /nfs/dbraw/zinc/45/84/43/968458443.db2.gz KGVJQADNTLBJBW-QWRGUYRKSA-N 1 2 232.287 1.206 20 30 BDEDLO C=CC(C)(C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000820437857 968476814 /nfs/dbraw/zinc/47/68/14/968476814.db2.gz AWUNTXPDDLMSSK-NSHDSACASA-N 1 2 248.330 1.095 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471233 968744438 /nfs/dbraw/zinc/74/44/38/968744438.db2.gz JSBVBJLLFHJJGH-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471233 968744445 /nfs/dbraw/zinc/74/44/45/968744445.db2.gz JSBVBJLLFHJJGH-GFCCVEGCSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001085475027 968745187 /nfs/dbraw/zinc/74/51/87/968745187.db2.gz QKWFASXBSNQZOL-GFCCVEGCSA-N 1 2 248.351 1.528 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001085475027 968745195 /nfs/dbraw/zinc/74/51/95/968745195.db2.gz QKWFASXBSNQZOL-GFCCVEGCSA-N 1 2 248.351 1.528 20 30 BDEDLO C=CCC[C@@H](O)CNc1[nH+]cccc1OC ZINC001252587105 968843159 /nfs/dbraw/zinc/84/31/59/968843159.db2.gz ALRRCQIDZPAVMJ-SNVBAGLBSA-N 1 2 222.288 1.829 20 30 BDEDLO C=CCC[C@@H](O)C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001252593940 968853902 /nfs/dbraw/zinc/85/39/02/968853902.db2.gz PHVLQFRAPUQHPK-OPRDCNLKSA-N 1 2 205.248 1.305 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001253580102 969256244 /nfs/dbraw/zinc/25/62/44/969256244.db2.gz WHBOKCNAVKDOKV-WDEREUQCSA-N 1 2 237.303 1.452 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001253580102 969256261 /nfs/dbraw/zinc/25/62/61/969256261.db2.gz WHBOKCNAVKDOKV-WDEREUQCSA-N 1 2 237.303 1.452 20 30 BDEDLO C#CC[NH+](CC#C)CCOC(=O)c1ccccc1 ZINC001209048996 969334877 /nfs/dbraw/zinc/33/48/77/969334877.db2.gz UWVJEJBFPHSLLD-UHFFFAOYSA-N 1 2 241.290 1.412 20 30 BDEDLO C[C@H](C#N)[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC001209103635 969351608 /nfs/dbraw/zinc/35/16/08/969351608.db2.gz CHQHCUDDXLIMIJ-LLVKDONJSA-N 1 2 238.331 1.764 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC001209103635 969351610 /nfs/dbraw/zinc/35/16/10/969351610.db2.gz CHQHCUDDXLIMIJ-LLVKDONJSA-N 1 2 238.331 1.764 20 30 BDEDLO CN(C)c1cccc(CN2CC[C@@](F)(C#N)C2)[nH+]1 ZINC001169299105 969572226 /nfs/dbraw/zinc/57/22/26/969572226.db2.gz ALXFKAUZDLGXDN-CYBMUJFWSA-N 1 2 248.305 1.585 20 30 BDEDLO Nc1cc(NC=CC(=O)C(F)(F)F)[nH+]cc1F ZINC001169473816 969668351 /nfs/dbraw/zinc/66/83/51/969668351.db2.gz QTIZMEFCERHRPO-OWOJBTEDSA-N 1 2 249.167 1.860 20 30 BDEDLO Cc1noc(C2([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC001254647288 969760611 /nfs/dbraw/zinc/76/06/11/969760611.db2.gz BSZUWRBRHZPDPS-VHSXEESVSA-N 1 2 232.287 1.649 20 30 BDEDLO Cc1noc(C2([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC001254647290 969761989 /nfs/dbraw/zinc/76/19/89/969761989.db2.gz BSZUWRBRHZPDPS-ZJUUUORDSA-N 1 2 232.287 1.649 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001254659178 969767193 /nfs/dbraw/zinc/76/71/93/969767193.db2.gz LOMOWOUTAIADKN-JLLWLGSASA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001254659178 969767200 /nfs/dbraw/zinc/76/72/00/969767200.db2.gz LOMOWOUTAIADKN-JLLWLGSASA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001254659178 969767207 /nfs/dbraw/zinc/76/72/07/969767207.db2.gz LOMOWOUTAIADKN-JLLWLGSASA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001254659178 969767210 /nfs/dbraw/zinc/76/72/10/969767210.db2.gz LOMOWOUTAIADKN-JLLWLGSASA-N 1 2 248.351 1.953 20 30 BDEDLO C=CC[C@@H](OCC[NH+]1CCOCC1)C(C)C ZINC001210225318 969838894 /nfs/dbraw/zinc/83/88/94/969838894.db2.gz QYKOICGECXVSQF-CYBMUJFWSA-N 1 2 227.348 1.936 20 30 BDEDLO C=C[C@@H](CO)Nc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001169779416 969852859 /nfs/dbraw/zinc/85/28/59/969852859.db2.gz JJDQBHPXAYXGAW-QMMMGPOBSA-N 1 2 247.298 1.270 20 30 BDEDLO Cc1noc(Nc2c[nH+]c(C)c(N)c2)c1C#N ZINC001210285748 969853621 /nfs/dbraw/zinc/85/36/21/969853621.db2.gz QUQVHXVTCBSSPC-UHFFFAOYSA-N 1 2 229.243 1.884 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)ccn1 ZINC001255152911 969960357 /nfs/dbraw/zinc/96/03/57/969960357.db2.gz IOBWDRHGRVDGEY-NSHDSACASA-N 1 2 247.298 1.650 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001255154318 969960701 /nfs/dbraw/zinc/96/07/01/969960701.db2.gz HFQOLQKBQINQSR-GFCCVEGCSA-N 1 2 243.310 1.712 20 30 BDEDLO CC[C@H](CC#N)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001255171765 969979818 /nfs/dbraw/zinc/97/98/18/969979818.db2.gz ANFZYDQHFRWNPW-GFCCVEGCSA-N 1 2 235.331 1.233 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001255176703 969992752 /nfs/dbraw/zinc/99/27/52/969992752.db2.gz DERNWPOYXRIZDL-OLZOCXBDSA-N 1 2 249.358 1.669 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001255176703 969992761 /nfs/dbraw/zinc/99/27/61/969992761.db2.gz DERNWPOYXRIZDL-OLZOCXBDSA-N 1 2 249.358 1.669 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001255176995 969993231 /nfs/dbraw/zinc/99/32/31/969993231.db2.gz KIJHFUFRFJDNNZ-QWRGUYRKSA-N 1 2 238.335 1.072 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001255176995 969993245 /nfs/dbraw/zinc/99/32/45/969993245.db2.gz KIJHFUFRFJDNNZ-QWRGUYRKSA-N 1 2 238.335 1.072 20 30 BDEDLO C#Cc1cc(Nc2cncc(CO)c2)cc[nH+]1 ZINC001211100190 970144752 /nfs/dbraw/zinc/14/47/52/970144752.db2.gz HZFBLGAEXFJHMI-UHFFFAOYSA-N 1 2 225.251 1.116 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CSC)CC1 ZINC001112710865 970154959 /nfs/dbraw/zinc/15/49/59/970154959.db2.gz KDTLDJUPLYQBLL-LLVKDONJSA-N 1 2 242.388 1.316 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H](C)OC)CC1 ZINC001112787920 970176509 /nfs/dbraw/zinc/17/65/09/970176509.db2.gz MNLTXRVUHPTBEZ-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CC[C@H](C)OC)CC1 ZINC001112787921 970178834 /nfs/dbraw/zinc/17/88/34/970178834.db2.gz MNLTXRVUHPTBEZ-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO Cn1c[nH+]cc1-c1ccccc1C=NO ZINC001243073163 970284489 /nfs/dbraw/zinc/28/44/89/970284489.db2.gz ZUBFJPHDQDPSES-UHFFFAOYSA-N 1 2 201.229 1.895 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255526201 970286914 /nfs/dbraw/zinc/28/69/14/970286914.db2.gz IZOMHWZPSFXYOE-IUCAKERBSA-N 1 2 247.360 1.005 20 30 BDEDLO N#Cc1cc(Nc2[nH+]cccc2N)ccc1N ZINC001213427309 970311998 /nfs/dbraw/zinc/31/19/98/970311998.db2.gz SUOHEQSZBRAQHI-UHFFFAOYSA-N 1 2 225.255 1.861 20 30 BDEDLO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](C#N)C2)C1 ZINC001256037804 970624458 /nfs/dbraw/zinc/62/44/58/970624458.db2.gz JIKMPUYQHATPKB-GHMZBOCLSA-N 1 2 237.303 1.063 20 30 BDEDLO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)C1 ZINC001256037804 970624466 /nfs/dbraw/zinc/62/44/66/970624466.db2.gz JIKMPUYQHATPKB-GHMZBOCLSA-N 1 2 237.303 1.063 20 30 BDEDLO C#C[C@@H]1CCC[C@H]1OCc1c[nH+]cn1C ZINC001222600106 972602146 /nfs/dbraw/zinc/60/21/46/972602146.db2.gz JIWFPSJMEBYEBF-ZYHUDNBSSA-N 1 2 204.273 1.739 20 30 BDEDLO C[N@H+](Cc1ccccn1)Cc1ccc(C#N)cn1 ZINC001144150095 972630085 /nfs/dbraw/zinc/63/00/85/972630085.db2.gz TXDCDTANZPDFLW-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cn1 ZINC001144150095 972630090 /nfs/dbraw/zinc/63/00/90/972630090.db2.gz TXDCDTANZPDFLW-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)nc1 ZINC001144157428 972635083 /nfs/dbraw/zinc/63/50/83/972635083.db2.gz HSODRIKXECSNQM-DRZSPHRISA-N 1 2 231.274 1.743 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)nc1 ZINC001144157428 972635091 /nfs/dbraw/zinc/63/50/91/972635091.db2.gz HSODRIKXECSNQM-DRZSPHRISA-N 1 2 231.274 1.743 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1F ZINC001144153787 972636369 /nfs/dbraw/zinc/63/63/69/972636369.db2.gz PJVCTRFSDSMSLQ-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1F ZINC001144153787 972636358 /nfs/dbraw/zinc/63/63/58/972636358.db2.gz PJVCTRFSDSMSLQ-SKDRFNHKSA-N 1 2 219.263 1.743 20 30 BDEDLO C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC001327707728 972703703 /nfs/dbraw/zinc/70/37/03/972703703.db2.gz XSRSFKZLELITDV-VHSXEESVSA-N 1 2 234.303 1.499 20 30 BDEDLO Cn1nnc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc21 ZINC001144641313 972900231 /nfs/dbraw/zinc/90/02/31/972900231.db2.gz SOXAOYKTCSGYNG-LLVKDONJSA-N 1 2 241.298 1.314 20 30 BDEDLO Cn1nnc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc21 ZINC001144641313 972900246 /nfs/dbraw/zinc/90/02/46/972900246.db2.gz SOXAOYKTCSGYNG-LLVKDONJSA-N 1 2 241.298 1.314 20 30 BDEDLO C=C(C)CCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093906014 974040197 /nfs/dbraw/zinc/04/01/97/974040197.db2.gz JEUPYQHRIJKJPS-UHFFFAOYSA-N 1 2 248.330 1.669 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H](C)C1C[NH+](CCF)C1 ZINC001329997120 974071162 /nfs/dbraw/zinc/07/11/62/974071162.db2.gz IZANZZSWZUDKGD-NSHDSACASA-N 1 2 240.322 1.052 20 30 BDEDLO CCOCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001172409269 974670757 /nfs/dbraw/zinc/67/07/57/974670757.db2.gz SUOPWTPOSODNDI-ZJUUUORDSA-N 1 2 249.376 1.253 20 30 BDEDLO CC[C@@H](CC(C)C)[NH2+][C@@H](CS)C(=O)OC ZINC001172388322 974735041 /nfs/dbraw/zinc/73/50/41/974735041.db2.gz DHBGNEKNKMYGAB-UWVGGRQHSA-N 1 2 233.377 1.872 20 30 BDEDLO C=C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332055234 974935034 /nfs/dbraw/zinc/93/50/34/974935034.db2.gz WVWGUHIKJOHZQR-JOYOIKCWSA-N 1 2 248.330 1.481 20 30 BDEDLO C=C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001332055234 974935039 /nfs/dbraw/zinc/93/50/39/974935039.db2.gz WVWGUHIKJOHZQR-JOYOIKCWSA-N 1 2 248.330 1.481 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172925021 974971062 /nfs/dbraw/zinc/97/10/62/974971062.db2.gz VLWCUYLBLMFBGN-UTLUCORTSA-N 1 2 247.360 1.005 20 30 BDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(C)=O)C2 ZINC001095071977 975075321 /nfs/dbraw/zinc/07/53/21/975075321.db2.gz VIQZBJOSCZYXMI-VWYCJHECSA-N 1 2 228.723 1.480 20 30 BDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(C)=O)C2 ZINC001095071977 975075328 /nfs/dbraw/zinc/07/53/28/975075328.db2.gz VIQZBJOSCZYXMI-VWYCJHECSA-N 1 2 228.723 1.480 20 30 BDEDLO CC[C@H]1CC[C@@H]([NH2+][C@@H](CS)C(=O)OC)C1 ZINC001173261293 975111930 /nfs/dbraw/zinc/11/19/30/975111930.db2.gz BOCDWOCSCQARII-AEJSXWLSSA-N 1 2 231.361 1.626 20 30 BDEDLO CC[C@@H]1CC[C@H]([NH2+][C@@H](CS)C(=O)OC)C1 ZINC001173261302 975114683 /nfs/dbraw/zinc/11/46/83/975114683.db2.gz BOCDWOCSCQARII-UTLUCORTSA-N 1 2 231.361 1.626 20 30 BDEDLO C=CCOC1CCC([N@@H+]2CCC(=O)C2)CC1 ZINC001173327991 975276945 /nfs/dbraw/zinc/27/69/45/975276945.db2.gz XATKKHWVTARFEW-UHFFFAOYSA-N 1 2 223.316 1.775 20 30 BDEDLO C=CCOC1CCC([N@H+]2CCC(=O)C2)CC1 ZINC001173327991 975276953 /nfs/dbraw/zinc/27/69/53/975276953.db2.gz XATKKHWVTARFEW-UHFFFAOYSA-N 1 2 223.316 1.775 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2cn(CC)nn2)C1 ZINC001332800828 975287223 /nfs/dbraw/zinc/28/72/23/975287223.db2.gz SIHGRKWGUCTGGT-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2cn(CC)nn2)C1 ZINC001332800828 975287233 /nfs/dbraw/zinc/28/72/33/975287233.db2.gz SIHGRKWGUCTGGT-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C#CCN(CC1CC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001332888633 975309993 /nfs/dbraw/zinc/30/99/93/975309993.db2.gz FXIDMUWXECMBLM-NSHDSACASA-N 1 2 245.326 1.460 20 30 BDEDLO C#CCN(CC1CC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001332888633 975309996 /nfs/dbraw/zinc/30/99/96/975309996.db2.gz FXIDMUWXECMBLM-NSHDSACASA-N 1 2 245.326 1.460 20 30 BDEDLO C#Cc1cc(Nc2cc(F)cc(CO)c2)cc[nH+]1 ZINC001212742581 975482744 /nfs/dbraw/zinc/48/27/44/975482744.db2.gz JXIFOQXLXNDJCL-UHFFFAOYSA-N 1 2 242.253 1.860 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173737225 975532631 /nfs/dbraw/zinc/53/26/31/975532631.db2.gz IYGKSCXVJNZXCK-SDDRHHMPSA-N 1 2 248.334 1.439 20 30 BDEDLO C#Cc1cc(Nc2cccc(C(N)=O)c2)cc[nH+]1 ZINC001174056269 976206600 /nfs/dbraw/zinc/20/66/00/976206600.db2.gz CHFZOXKDWIFQHV-UHFFFAOYSA-N 1 2 237.262 1.327 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(N)cc1 ZINC001334754688 976624472 /nfs/dbraw/zinc/62/44/72/976624472.db2.gz RFJFBLXTHJZDQM-ZDUSSCGKSA-N 1 2 216.284 1.103 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(N)cc1 ZINC001334754688 976624482 /nfs/dbraw/zinc/62/44/82/976624482.db2.gz RFJFBLXTHJZDQM-ZDUSSCGKSA-N 1 2 216.284 1.103 20 30 BDEDLO CC[NH+]1CC(Oc2c(C)cccc2C#N)C1 ZINC001229179359 976785832 /nfs/dbraw/zinc/78/58/32/976785832.db2.gz IUHBNSASZSBXBN-UHFFFAOYSA-N 1 2 216.284 1.950 20 30 BDEDLO C=C(C)Nc1ccc[nH+]c1N1CCOCC1 ZINC001174786632 977015585 /nfs/dbraw/zinc/01/55/85/977015585.db2.gz RZSQAXGZPVQORC-UHFFFAOYSA-N 1 2 219.288 1.864 20 30 BDEDLO C#Cc1cc(Nc2cccc(O)c2)cc[nH+]1 ZINC001174887839 977118729 /nfs/dbraw/zinc/11/87/29/977118729.db2.gz ZACFHTAZWRTZFO-UHFFFAOYSA-N 1 2 210.236 1.934 20 30 BDEDLO C[C@H](C(=O)N1CCC[C@H](CC#N)C1)n1cc[nH+]c1 ZINC001330902619 977380773 /nfs/dbraw/zinc/38/07/73/977380773.db2.gz NFSSIIGIYUFDQF-VXGBXAGGSA-N 1 2 246.314 1.596 20 30 BDEDLO N#Cc1cc2cccnc2nc1Nc1[nH]cc[nH+]1 ZINC001176080497 977875749 /nfs/dbraw/zinc/87/57/49/977875749.db2.gz WZEOLFZOBQMBFH-UHFFFAOYSA-N 1 2 236.238 1.968 20 30 BDEDLO C#Cc1cc(Nc2ccc(OC)c(O)c2)cc[nH+]1 ZINC001176253861 978012569 /nfs/dbraw/zinc/01/25/69/978012569.db2.gz KDZSPHDHIAUOOT-UHFFFAOYSA-N 1 2 240.262 1.943 20 30 BDEDLO N#CC1CC[NH+](Cc2cc(F)ccn2)CC1 ZINC001232491085 978142153 /nfs/dbraw/zinc/14/21/53/978142153.db2.gz TWUBVJVLBKFNSX-UHFFFAOYSA-N 1 2 219.263 1.956 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(CF)n2)CC1 ZINC001232537811 978166836 /nfs/dbraw/zinc/16/68/36/978166836.db2.gz JGZQIQBABIWHDU-UHFFFAOYSA-N 1 2 247.317 1.302 20 30 BDEDLO N#Cc1cccc(NC(=O)CCn2cc[nH+]c2)n1 ZINC001176873487 978224813 /nfs/dbraw/zinc/22/48/13/978224813.db2.gz QLRXSARFILEACO-UHFFFAOYSA-N 1 2 241.254 1.179 20 30 BDEDLO CC1(O)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232673175 978235026 /nfs/dbraw/zinc/23/50/26/978235026.db2.gz BMCVTPHKCFRTRK-UHFFFAOYSA-N 1 2 246.310 1.611 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CO)c1 ZINC001232674556 978239308 /nfs/dbraw/zinc/23/93/08/978239308.db2.gz BAQSHTASVUEOEB-LBPRGKRZSA-N 1 2 232.283 1.221 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC001232674556 978239322 /nfs/dbraw/zinc/23/93/22/978239322.db2.gz BAQSHTASVUEOEB-LBPRGKRZSA-N 1 2 232.283 1.221 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)C1COC1 ZINC001232679644 978242427 /nfs/dbraw/zinc/24/24/27/978242427.db2.gz PHJQWWXMLDMKAI-UHFFFAOYSA-N 1 2 218.256 1.094 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C1COC1 ZINC001232679644 978242433 /nfs/dbraw/zinc/24/24/33/978242433.db2.gz PHJQWWXMLDMKAI-UHFFFAOYSA-N 1 2 218.256 1.094 20 30 BDEDLO CC[C@@H](C#N)N(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001337581717 978417551 /nfs/dbraw/zinc/41/75/51/978417551.db2.gz WGCFQVJATJXNLY-NEPJUHHUSA-N 1 2 248.330 1.985 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC12COC2 ZINC001233083127 978465216 /nfs/dbraw/zinc/46/52/16/978465216.db2.gz WLXZGRNQXVDGHW-UHFFFAOYSA-N 1 2 228.295 1.841 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC12COC2 ZINC001233083127 978465226 /nfs/dbraw/zinc/46/52/26/978465226.db2.gz WLXZGRNQXVDGHW-UHFFFAOYSA-N 1 2 228.295 1.841 20 30 BDEDLO N#C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001177998628 978488355 /nfs/dbraw/zinc/48/83/55/978488355.db2.gz XIWZRESDLVANIM-XYPYZODXSA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@@H](C#N)N(C)Cc1cccc2[nH+]ccn21 ZINC001233364065 978576121 /nfs/dbraw/zinc/57/61/21/978576121.db2.gz OMKMIIHUDFJFNK-JTQLQIEISA-N 1 2 214.272 1.678 20 30 BDEDLO N#C[C@@H]1C[C@H](F)CN1Cc1cccc(N)[nH+]1 ZINC001233372774 978587581 /nfs/dbraw/zinc/58/75/81/978587581.db2.gz FBEGUAQINFTERK-WPRPVWTQSA-N 1 2 220.251 1.100 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486032 978611861 /nfs/dbraw/zinc/61/18/61/978611861.db2.gz VKGAENSMWPNJFM-MRVPVSSYSA-N 1 2 234.255 1.149 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486032 978611865 /nfs/dbraw/zinc/61/18/65/978611865.db2.gz VKGAENSMWPNJFM-MRVPVSSYSA-N 1 2 234.255 1.149 20 30 BDEDLO C#Cc1ccc(OC2C[NH+](C(C)C)C2)nc1 ZINC001233967886 978743375 /nfs/dbraw/zinc/74/33/75/978743375.db2.gz RIUGNXXEKOROAL-UHFFFAOYSA-N 1 2 216.284 1.534 20 30 BDEDLO C[C@@H](C#N)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001179901261 978782583 /nfs/dbraw/zinc/78/25/83/978782583.db2.gz KVPGZSVGMGUZSV-VIFPVBQESA-N 1 2 232.287 1.384 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001339847957 978924743 /nfs/dbraw/zinc/92/47/43/978924743.db2.gz WNMANTAZEVSMMS-WDEREUQCSA-N 1 2 219.288 1.218 20 30 BDEDLO N#CCCC[NH+]1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001277943284 979041358 /nfs/dbraw/zinc/04/13/58/979041358.db2.gz RCKVTNWWUMLDQL-UHFFFAOYSA-N 1 2 244.342 1.579 20 30 BDEDLO N#CCCCN1CC2(CC[N@@H+]2Cc2ccc[nH]2)C1 ZINC001277943284 979041362 /nfs/dbraw/zinc/04/13/62/979041362.db2.gz RCKVTNWWUMLDQL-UHFFFAOYSA-N 1 2 244.342 1.579 20 30 BDEDLO N#CCCCN1CC2(CC[N@H+]2Cc2ccc[nH]2)C1 ZINC001277943284 979041370 /nfs/dbraw/zinc/04/13/70/979041370.db2.gz RCKVTNWWUMLDQL-UHFFFAOYSA-N 1 2 244.342 1.579 20 30 BDEDLO N#CCc1ccccc1C[NH+]1CC2(CCO2)C1 ZINC001235529787 979074447 /nfs/dbraw/zinc/07/44/47/979074447.db2.gz PLSDYYLQSOGHSZ-UHFFFAOYSA-N 1 2 228.295 1.727 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001602803548 979245792 /nfs/dbraw/zinc/24/57/92/979245792.db2.gz DHIDPDCSSROFIV-QJPTWQEYSA-N 1 2 249.314 1.405 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001602803548 979245805 /nfs/dbraw/zinc/24/58/05/979245805.db2.gz DHIDPDCSSROFIV-QJPTWQEYSA-N 1 2 249.314 1.405 20 30 BDEDLO C[C@H](CC#N)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001341949663 979603035 /nfs/dbraw/zinc/60/30/35/979603035.db2.gz LMTCDZQQBXZBED-SNVBAGLBSA-N 1 2 247.298 1.607 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001342693693 979868170 /nfs/dbraw/zinc/86/81/70/979868170.db2.gz UEKMVASOOJRKCE-VXGBXAGGSA-N 1 2 231.299 1.458 20 30 BDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](O)C2)c(F)cc1F ZINC001237532566 979931232 /nfs/dbraw/zinc/93/12/32/979931232.db2.gz RHNQKBVEQQRAGH-SNVBAGLBSA-N 1 2 238.237 1.403 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](O)C2)c(F)cc1F ZINC001237532566 979931235 /nfs/dbraw/zinc/93/12/35/979931235.db2.gz RHNQKBVEQQRAGH-SNVBAGLBSA-N 1 2 238.237 1.403 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(C)c(C#N)cn2)CC1 ZINC001184719638 980120642 /nfs/dbraw/zinc/12/06/42/980120642.db2.gz CWZHEHJVNGPQCJ-UHFFFAOYSA-N 1 2 240.310 1.017 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(N)ccnc2F)CC1 ZINC001238160858 980187152 /nfs/dbraw/zinc/18/71/52/980187152.db2.gz WSHRXQUAEUXQDR-SNVBAGLBSA-N 1 2 248.305 1.929 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2c(N)ccnc2F)CC1 ZINC001238160858 980187157 /nfs/dbraw/zinc/18/71/57/980187157.db2.gz WSHRXQUAEUXQDR-SNVBAGLBSA-N 1 2 248.305 1.929 20 30 BDEDLO Cc1ncncc1C[NH+]1CC(CC#N)C1 ZINC001238163483 980193172 /nfs/dbraw/zinc/19/31/72/980193172.db2.gz HDLXEQJYDUCQIO-UHFFFAOYSA-N 1 2 202.261 1.131 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001186977158 980464912 /nfs/dbraw/zinc/46/49/12/980464912.db2.gz KPTODWQARGIORA-GHMZBOCLSA-N 1 2 244.298 1.275 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001186977158 980464917 /nfs/dbraw/zinc/46/49/17/980464917.db2.gz KPTODWQARGIORA-GHMZBOCLSA-N 1 2 244.298 1.275 20 30 BDEDLO CC(C)(COC(=O)CCCC#N)n1cc[nH+]c1 ZINC001345250660 980590292 /nfs/dbraw/zinc/59/02/92/980590292.db2.gz FCIOVSQTHKERJR-UHFFFAOYSA-N 1 2 235.287 1.855 20 30 BDEDLO COc1ccc(CC[NH+]2CCOCC2)cc1C#N ZINC001250276564 980649108 /nfs/dbraw/zinc/64/91/08/980649108.db2.gz IHDUDHDKDYKFGA-UHFFFAOYSA-N 1 2 246.310 1.442 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001188653593 980680075 /nfs/dbraw/zinc/68/00/75/980680075.db2.gz YCOOQDFCVXKHRJ-UHFFFAOYSA-N 1 2 249.289 1.165 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]cc(C)c2C)CC1 ZINC001191154741 980983737 /nfs/dbraw/zinc/98/37/37/980983737.db2.gz WRUQFQTYWFWNQO-UHFFFAOYSA-N 1 2 247.342 1.575 20 30 BDEDLO C=C(C)CCC(=O)OCc1c[nH+]cn1C ZINC001347354891 981054830 /nfs/dbraw/zinc/05/48/30/981054830.db2.gz IBAZHMABQRFBRO-UHFFFAOYSA-N 1 2 208.261 1.820 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCCC12CC2)C(=O)OC ZINC001347396541 981060916 /nfs/dbraw/zinc/06/09/16/981060916.db2.gz XVZKZMCXRVDSQW-QWRGUYRKSA-N 1 2 221.300 1.474 20 30 BDEDLO N#Cc1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240214788 981164455 /nfs/dbraw/zinc/16/44/55/981164455.db2.gz PUXUOFBSRUCPCE-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#CCc1ncc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240509310 981432911 /nfs/dbraw/zinc/43/29/11/981432911.db2.gz VLLLZOMGMBNAQF-UHFFFAOYSA-N 1 2 235.250 1.857 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC001349632976 981600692 /nfs/dbraw/zinc/60/06/92/981600692.db2.gz MBQZIYHNDBJYGM-LLVKDONJSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001583150580 981802623 /nfs/dbraw/zinc/80/26/23/981802623.db2.gz NIAXXKZCZGRECH-SNVBAGLBSA-N 1 2 243.266 1.311 20 30 BDEDLO O=C(C#CC1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001584620993 981878512 /nfs/dbraw/zinc/87/85/12/981878512.db2.gz JLUWCXVIDCBCHS-LBPRGKRZSA-N 1 2 243.310 1.529 20 30 BDEDLO C=C(C)c1ccc([C@@H]([NH3+])C(=O)OC)cc1 ZINC001240836641 981878668 /nfs/dbraw/zinc/87/86/68/981878668.db2.gz UWTVSURQAALJKK-LLVKDONJSA-N 1 2 205.257 1.893 20 30 BDEDLO Cc1cc(C)c(CNC(=O)CSCC#N)c[nH+]1 ZINC001585011753 981900020 /nfs/dbraw/zinc/90/00/20/981900020.db2.gz LSVHTAWDHPZXGZ-UHFFFAOYSA-N 1 2 249.339 1.571 20 30 BDEDLO C=CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001351188340 982227651 /nfs/dbraw/zinc/22/76/51/982227651.db2.gz QINUDOKABLJHLY-UHFFFAOYSA-N 1 2 247.342 1.777 20 30 BDEDLO N#CCc1ncccc1-c1cc[nH+]c(N)c1 ZINC001241170954 982322096 /nfs/dbraw/zinc/32/20/96/982322096.db2.gz ZPNWGPYYKHOPAS-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO C=CCO[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC001352011728 982440119 /nfs/dbraw/zinc/44/01/19/982440119.db2.gz KLSVAAXXVJSIKI-LLVKDONJSA-N 1 2 248.330 1.324 20 30 BDEDLO C=CCO[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC001352011728 982440128 /nfs/dbraw/zinc/44/01/28/982440128.db2.gz KLSVAAXXVJSIKI-LLVKDONJSA-N 1 2 248.330 1.324 20 30 BDEDLO C=C(CC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001352188744 982488056 /nfs/dbraw/zinc/48/80/56/982488056.db2.gz CVAHPYKLEZLOKY-JTQLQIEISA-N 1 2 219.288 1.280 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785122 982594444 /nfs/dbraw/zinc/59/44/44/982594444.db2.gz AWAWUCIQOLOZSQ-DGCLKSJQSA-N 1 2 249.358 1.731 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785122 982594454 /nfs/dbraw/zinc/59/44/54/982594454.db2.gz AWAWUCIQOLOZSQ-DGCLKSJQSA-N 1 2 249.358 1.731 20 30 BDEDLO C=CC[NH+]1CCN(C(=S)N[C@@H](C)CC)CC1 ZINC001200474503 983034957 /nfs/dbraw/zinc/03/49/57/983034957.db2.gz CKULISVKXRJETR-NSHDSACASA-N 1 2 241.404 1.463 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2=CCCC2)CC1 ZINC001472950049 983413449 /nfs/dbraw/zinc/41/34/49/983413449.db2.gz RCWHFRVLCBMRTL-UHFFFAOYSA-N 1 2 220.316 1.427 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](O)CCCC)C(=O)OC ZINC001252111612 983690067 /nfs/dbraw/zinc/69/00/67/983690067.db2.gz YMAZQZGSCIYNCE-QWRGUYRKSA-N 1 2 229.320 1.245 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC001588728314 983981291 /nfs/dbraw/zinc/98/12/91/983981291.db2.gz CIUIMWOKJWVBMD-LBPRGKRZSA-N 1 2 249.314 1.618 20 30 BDEDLO C=CC[C@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC001588728313 983981609 /nfs/dbraw/zinc/98/16/09/983981609.db2.gz CIUIMWOKJWVBMD-GFCCVEGCSA-N 1 2 249.314 1.618 20 30 BDEDLO C=CCNC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001202559560 984061059 /nfs/dbraw/zinc/06/10/59/984061059.db2.gz ZQZFFVCONNZUJW-UHFFFAOYSA-N 1 2 217.272 1.300 20 30 BDEDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274030588 984240881 /nfs/dbraw/zinc/24/08/81/984240881.db2.gz RKFVKIOIBXRENT-YNEHKIRRSA-N 1 2 249.358 1.764 20 30 BDEDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274030588 984240895 /nfs/dbraw/zinc/24/08/95/984240895.db2.gz RKFVKIOIBXRENT-YNEHKIRRSA-N 1 2 249.358 1.764 20 30 BDEDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031600 984243022 /nfs/dbraw/zinc/24/30/22/984243022.db2.gz VSMLYCZCFWBVIX-CHWSQXEVSA-N 1 2 249.358 1.765 20 30 BDEDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031600 984243042 /nfs/dbraw/zinc/24/30/42/984243042.db2.gz VSMLYCZCFWBVIX-CHWSQXEVSA-N 1 2 249.358 1.765 20 30 BDEDLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1C#N ZINC000718301377 984428756 /nfs/dbraw/zinc/42/87/56/984428756.db2.gz FSIPIJCEGUYNBZ-KBPBESRZSA-N 1 2 228.295 1.840 20 30 BDEDLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1C#N ZINC000718301377 984428770 /nfs/dbraw/zinc/42/87/70/984428770.db2.gz FSIPIJCEGUYNBZ-KBPBESRZSA-N 1 2 228.295 1.840 20 30 BDEDLO CCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001257307339 984879238 /nfs/dbraw/zinc/87/92/38/984879238.db2.gz JJBVICOTPNQUGP-YUMQZZPRSA-N 1 2 205.323 1.236 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C)C1 ZINC000949614103 985441611 /nfs/dbraw/zinc/44/16/11/985441611.db2.gz QZKCJEXNAKSSNS-YPMHNXCESA-N 1 2 236.359 1.751 20 30 BDEDLO C[C@H](Cc1ccco1)N1CC[NH2+]C[C@@H]1C#N ZINC001258186498 985582939 /nfs/dbraw/zinc/58/29/39/985582939.db2.gz NWXIVJZHNSBQHV-MNOVXSKESA-N 1 2 219.288 1.008 20 30 BDEDLO C=C[C@H](O)CNc1cccc2[nH+]c[nH]c21 ZINC001253588769 986179370 /nfs/dbraw/zinc/17/93/70/986179370.db2.gz HYTMZDWTHZNHKH-QMMMGPOBSA-N 1 2 203.245 1.522 20 30 BDEDLO CC(C)N(CCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001464572090 986643052 /nfs/dbraw/zinc/64/30/52/986643052.db2.gz GPIKPQXJAOIKMT-UHFFFAOYSA-N 1 2 234.303 1.493 20 30 BDEDLO CC[N@@H+]1CC[C@@H]1C(=O)NC1(C#N)CCCC1 ZINC001464950012 986677450 /nfs/dbraw/zinc/67/74/50/986677450.db2.gz ZCEHKPJUHYOEPY-SNVBAGLBSA-N 1 2 221.304 1.033 20 30 BDEDLO CC[N@H+]1CC[C@@H]1C(=O)NC1(C#N)CCCC1 ZINC001464950012 986677458 /nfs/dbraw/zinc/67/74/58/986677458.db2.gz ZCEHKPJUHYOEPY-SNVBAGLBSA-N 1 2 221.304 1.033 20 30 BDEDLO Cc1c(CN(C)[C@@H](C)C#N)[nH+]c2ccccn12 ZINC001137275643 986709331 /nfs/dbraw/zinc/70/93/31/986709331.db2.gz FVGPISPKZPZSDF-JTQLQIEISA-N 1 2 228.299 1.987 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2ccccn2c1C ZINC001137273429 986713083 /nfs/dbraw/zinc/71/30/83/986713083.db2.gz MXWXQSRRIXLFBL-UHFFFAOYSA-N 1 2 213.284 1.708 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2ccccn2c1C ZINC001137273429 986713094 /nfs/dbraw/zinc/71/30/94/986713094.db2.gz MXWXQSRRIXLFBL-UHFFFAOYSA-N 1 2 213.284 1.708 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC001255173043 986864316 /nfs/dbraw/zinc/86/43/16/986864316.db2.gz 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/nfs/dbraw/zinc/93/51/45/990935145.db2.gz WRFKYNPGPUJORM-SNVBAGLBSA-N 1 2 217.272 1.523 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2ncccc2O)C1 ZINC001138394573 990935153 /nfs/dbraw/zinc/93/51/53/990935153.db2.gz WRFKYNPGPUJORM-SNVBAGLBSA-N 1 2 217.272 1.523 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ncccc2O)C1 ZINC001138396003 990936845 /nfs/dbraw/zinc/93/68/45/990936845.db2.gz GBVDWDAHVBGUCX-LBPRGKRZSA-N 1 2 217.272 1.523 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ncccc2O)C1 ZINC001138396003 990936855 /nfs/dbraw/zinc/93/68/55/990936855.db2.gz GBVDWDAHVBGUCX-LBPRGKRZSA-N 1 2 217.272 1.523 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccn(CC)n1)[C@@H]1CCCO1 ZINC001308377332 990978222 /nfs/dbraw/zinc/97/82/22/990978222.db2.gz DOLJKHZGPPDNRA-OLZOCXBDSA-N 1 2 233.315 1.173 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC001308506256 991016042 /nfs/dbraw/zinc/01/60/42/991016042.db2.gz SWCXHDHUXZGWSP-MRVPVSSYSA-N 1 2 232.239 1.778 20 30 BDEDLO N#Cc1ccnnc1NCCNc1cccc[nH+]1 ZINC001559054878 991030029 /nfs/dbraw/zinc/03/00/29/991030029.db2.gz NLNFWJJSUBXKEK-UHFFFAOYSA-N 1 2 240.270 1.267 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138780874 991040691 /nfs/dbraw/zinc/04/06/91/991040691.db2.gz LZMFESZILSDDFV-CYBMUJFWSA-N 1 2 233.315 1.647 20 30 BDEDLO C#CC[N@H+](C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138780874 991040703 /nfs/dbraw/zinc/04/07/03/991040703.db2.gz LZMFESZILSDDFV-CYBMUJFWSA-N 1 2 233.315 1.647 20 30 BDEDLO C[C@H](Cc1ccco1)N1CC[NH2+]C[C@H]1C#N ZINC001258186497 991094506 /nfs/dbraw/zinc/09/45/06/991094506.db2.gz NWXIVJZHNSBQHV-GHMZBOCLSA-N 1 2 219.288 1.008 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001559591678 991172830 /nfs/dbraw/zinc/17/28/30/991172830.db2.gz AEJSTUQERZYLHT-NSHDSACASA-N 1 2 243.372 1.297 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC001258269668 991200036 /nfs/dbraw/zinc/20/00/36/991200036.db2.gz PGTCGBQQXLEMEZ-SEYXRHQNSA-N 1 2 246.354 1.510 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)/C(C)=C\C)CC1 ZINC001258285404 991219379 /nfs/dbraw/zinc/21/93/79/991219379.db2.gz SHVIMGVMQUJLKA-XGICHPGQSA-N 1 2 220.316 1.120 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)CCC(=O)OC)C(=O)OC ZINC001258352524 991286247 /nfs/dbraw/zinc/28/62/47/991286247.db2.gz GKIBABXWIWJRMV-VHSXEESVSA-N 1 2 243.303 1.035 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc2cccnc2c1 ZINC001139745486 991349559 /nfs/dbraw/zinc/34/95/59/991349559.db2.gz JRGQMRKHNKCBHS-UHFFFAOYSA-N 1 2 235.290 1.698 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC001139771263 991363103 /nfs/dbraw/zinc/36/31/03/991363103.db2.gz VCNSXVRNXSYCDG-CQSZACIVSA-N 1 2 247.342 1.680 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC001139771263 991363112 /nfs/dbraw/zinc/36/31/12/991363112.db2.gz VCNSXVRNXSYCDG-CQSZACIVSA-N 1 2 247.342 1.680 20 30 BDEDLO C=CC[NH+]1CCN(Cc2ncc(C)s2)CC1 ZINC001139814272 991378374 /nfs/dbraw/zinc/37/83/74/991378374.db2.gz JCIYOVJBZARMFB-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO CC[N@H+](Cc1cc(F)cc(C#N)c1)C1COC1 ZINC001139875120 991406187 /nfs/dbraw/zinc/40/61/87/991406187.db2.gz HFUXPNIIYGLPEZ-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO CC[N@@H+](Cc1cc(F)cc(C#N)c1)C1COC1 ZINC001139875120 991406191 /nfs/dbraw/zinc/40/61/91/991406191.db2.gz HFUXPNIIYGLPEZ-UHFFFAOYSA-N 1 2 234.274 1.918 20 30 BDEDLO Cn1ncc2ccc(C[N@@H+]3CC[C@H](C#N)C3)cc21 ZINC001139907863 991416379 /nfs/dbraw/zinc/41/63/79/991416379.db2.gz PSQUNRGJDLGRSR-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO Cn1ncc2ccc(C[N@H+]3CC[C@H](C#N)C3)cc21 ZINC001139907863 991416390 /nfs/dbraw/zinc/41/63/90/991416390.db2.gz PSQUNRGJDLGRSR-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(C)nc2)CC1 ZINC001139933182 991422321 /nfs/dbraw/zinc/42/23/21/991422321.db2.gz MSEXNSRFPVNVCX-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC001139933182 991422327 /nfs/dbraw/zinc/42/23/27/991422327.db2.gz MSEXNSRFPVNVCX-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO Cn1ncc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc21 ZINC001139952852 991429928 /nfs/dbraw/zinc/42/99/28/991429928.db2.gz ZQKYHQYCRQFJBV-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO Cn1ncc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc21 ZINC001139952852 991429933 /nfs/dbraw/zinc/42/99/33/991429933.db2.gz ZQKYHQYCRQFJBV-GFCCVEGCSA-N 1 2 240.310 1.919 20 30 BDEDLO CCn1c[nH+]cc1CN(C)C[C@H](C)C#N ZINC001560693756 991557504 /nfs/dbraw/zinc/55/75/04/991557504.db2.gz NCVBTEQEJPLZAU-SNVBAGLBSA-N 1 2 206.293 1.494 20 30 BDEDLO C=CC[NH+]1CCN([C@@H](C)Cc2cccnc2)CC1 ZINC001258628915 991562764 /nfs/dbraw/zinc/56/27/64/991562764.db2.gz VTCZWUMXSTWBOX-AWEZNQCLSA-N 1 2 245.370 1.816 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC(C)(C)CC)C1 ZINC001318026178 991614386 /nfs/dbraw/zinc/61/43/86/991614386.db2.gz VZGTXAQSQQYLSB-UHFFFAOYSA-N 1 2 224.348 1.799 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001258719898 991649575 /nfs/dbraw/zinc/64/95/75/991649575.db2.gz METHUSSBUWZWET-HBNTYKKESA-N 1 2 229.320 1.243 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001565826752 991812284 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992306850 /nfs/dbraw/zinc/30/68/50/992306850.db2.gz XZAFROYZZUQLJI-SSDOTTSWSA-N 1 2 240.681 1.441 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(F)F ZINC001569102573 992306864 /nfs/dbraw/zinc/30/68/64/992306864.db2.gz XZAFROYZZUQLJI-SSDOTTSWSA-N 1 2 240.681 1.441 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320706797 992320010 /nfs/dbraw/zinc/32/00/10/992320010.db2.gz GKNCZWMEGOCEHE-MNOVXSKESA-N 1 2 219.288 1.362 20 30 BDEDLO C=CC[C@H](NCc1c[nH+]cn1C)C(=O)OCC ZINC001320905921 992399611 /nfs/dbraw/zinc/39/96/11/992399611.db2.gz LMBNKCUEEZRSCQ-NSHDSACASA-N 1 2 237.303 1.018 20 30 BDEDLO C=C(CC)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001570327537 992460672 /nfs/dbraw/zinc/46/06/72/992460672.db2.gz QVINVIBZIPVXFW-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C=C(CC)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001570327537 992460678 /nfs/dbraw/zinc/46/06/78/992460678.db2.gz QVINVIBZIPVXFW-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001261747261 992485928 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365634774 /nfs/dbraw/zinc/63/47/74/365634774.db2.gz RNGJVBSUQLJCEP-WDEREUQCSA-N 1 2 248.330 1.596 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCCN1CCCC1=O ZINC000576650548 365651142 /nfs/dbraw/zinc/65/11/42/365651142.db2.gz BCZHZBBFQCBHAK-UHFFFAOYSA-N 1 2 235.331 1.401 20 30 BDEDLO C=CC[N@H+](CCC#N)CCCN1CCCC1=O ZINC000576650548 365651148 /nfs/dbraw/zinc/65/11/48/365651148.db2.gz BCZHZBBFQCBHAK-UHFFFAOYSA-N 1 2 235.331 1.401 20 30 BDEDLO CCOC(=O)c1cccc(C[NH2+]C[C@@H](C)C#N)n1 ZINC000600143479 342689707 /nfs/dbraw/zinc/68/97/07/342689707.db2.gz CILVXDQHIZDRRC-JTQLQIEISA-N 1 2 247.298 1.508 20 30 BDEDLO Cc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000600173287 342695431 /nfs/dbraw/zinc/69/54/31/342695431.db2.gz BTMFTJZCXVGWMX-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000600173287 342695432 /nfs/dbraw/zinc/69/54/32/342695432.db2.gz BTMFTJZCXVGWMX-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1[nH]c(CN2CC[C@@](C)(C#N)C2)[nH+]c1C ZINC000600175313 342696078 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/nfs/dbraw/zinc/66/44/43/349664443.db2.gz SJNFQJNLQBUONB-UWVGGRQHSA-N 1 2 232.274 1.628 20 30 BDEDLO COCCN(CC#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602687710 349678444 /nfs/dbraw/zinc/67/84/44/349678444.db2.gz LPRJIJXUHRUESB-GFCCVEGCSA-N 1 2 248.330 1.343 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492776222 529492089 /nfs/dbraw/zinc/49/20/89/529492089.db2.gz ZAUYWZARWLZMDH-WYGGZMRJSA-N 1 2 218.260 1.231 20 30 BDEDLO Cn1ncc(C(=O)NCc2[nH]cc[nH+]2)c1C1CC1 ZINC000329718740 136253416 /nfs/dbraw/zinc/25/34/16/136253416.db2.gz ZIHUFIXWQNNKHB-UHFFFAOYSA-N 1 2 245.286 1.525 20 30 BDEDLO CCOC(=O)c1ccc(C[NH+]2CC(CC#N)C2)[nH]1 ZINC000602705749 349698881 /nfs/dbraw/zinc/69/88/81/349698881.db2.gz CFTFIAHUXPBBQR-UHFFFAOYSA-N 1 2 247.298 1.537 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C#N)C1CC1 ZINC000492537404 529555140 /nfs/dbraw/zinc/55/51/40/529555140.db2.gz QOWUCHWNXLVFSW-QRGHLMKCSA-N 1 2 244.298 1.335 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)CC ZINC000492489815 529556084 /nfs/dbraw/zinc/55/60/84/529556084.db2.gz GZOUMPPXBCRIPD-KTRBRXNASA-N 1 2 246.314 1.725 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000602734425 349719664 /nfs/dbraw/zinc/71/96/64/349719664.db2.gz ODNDGJLYAHTGGA-WDEREUQCSA-N 1 2 241.331 1.651 20 30 BDEDLO C[N@H+](CC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000602769347 349724039 /nfs/dbraw/zinc/72/40/39/349724039.db2.gz CUQOHPPEYBHYCT-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO C[N@@H+](CC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000602769347 349724044 /nfs/dbraw/zinc/72/40/44/349724044.db2.gz CUQOHPPEYBHYCT-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@H]1SC)C(=O)OC ZINC000602739588 349709056 /nfs/dbraw/zinc/70/90/56/349709056.db2.gz QVLOTPICQDZPNF-OUAUKWLOSA-N 1 2 243.372 1.978 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)COCC)C(=O)OC ZINC000602733435 349718808 /nfs/dbraw/zinc/71/88/08/349718808.db2.gz IEGPWLJMMHNMQL-WDEREUQCSA-N 1 2 229.320 1.509 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC 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ZINC000335909389 136262384 /nfs/dbraw/zinc/26/23/84/136262384.db2.gz GULRBJQKXBOQIZ-QMMMGPOBSA-N 1 2 228.255 1.741 20 30 BDEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602832483 349768487 /nfs/dbraw/zinc/76/84/87/349768487.db2.gz NHNQIHRYFCIWMW-GFCCVEGCSA-N 1 2 249.358 1.621 20 30 BDEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(C2CCC2)C1=O ZINC000602832483 349768490 /nfs/dbraw/zinc/76/84/90/349768490.db2.gz NHNQIHRYFCIWMW-GFCCVEGCSA-N 1 2 249.358 1.621 20 30 BDEDLO CCCn1nccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602859703 349770428 /nfs/dbraw/zinc/77/04/28/349770428.db2.gz AESVKXTUAYBSDX-JTQLQIEISA-N 1 2 249.318 1.123 20 30 BDEDLO CC(C)N1CC[N@H+](CC2(CC#N)CC2)CC1=O ZINC000602807935 349771073 /nfs/dbraw/zinc/77/10/73/349771073.db2.gz VLDORBBDONPWDH-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO CC(C)N1CC[N@@H+](CC2(CC#N)CC2)CC1=O ZINC000602807935 349771077 /nfs/dbraw/zinc/77/10/77/349771077.db2.gz VLDORBBDONPWDH-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)c1ccccc1 ZINC000602861013 349772329 /nfs/dbraw/zinc/77/23/29/349772329.db2.gz FBRCPWNEHBRPLG-RYUDHWBXSA-N 1 2 245.326 1.930 20 30 BDEDLO Cc1cnc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)o1 ZINC000602848869 349784570 /nfs/dbraw/zinc/78/45/70/349784570.db2.gz IPIBGSCOTYLBJM-GHMZBOCLSA-N 1 2 248.330 1.401 20 30 BDEDLO Cc1cc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)on1 ZINC000602850815 349785871 /nfs/dbraw/zinc/78/58/71/349785871.db2.gz SMCUDZCKCSBTJQ-RYUDHWBXSA-N 1 2 248.330 1.401 20 30 BDEDLO N#CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352682936 136264359 /nfs/dbraw/zinc/26/43/59/136264359.db2.gz RPUWJMYFJZJBQI-DTWKUNHWSA-N 1 2 236.237 1.393 20 30 BDEDLO N#CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352682936 136264360 /nfs/dbraw/zinc/26/43/60/136264360.db2.gz RPUWJMYFJZJBQI-DTWKUNHWSA-N 1 2 236.237 1.393 20 30 BDEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000363255210 136269171 /nfs/dbraw/zinc/26/91/71/136269171.db2.gz SWXUBSBAIYBELC-CQSZACIVSA-N 1 2 242.322 1.183 20 30 BDEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000363255210 136269172 /nfs/dbraw/zinc/26/91/72/136269172.db2.gz SWXUBSBAIYBELC-CQSZACIVSA-N 1 2 242.322 1.183 20 30 BDEDLO C=CCOCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421578716 192355798 /nfs/dbraw/zinc/35/57/98/192355798.db2.gz ROIDGMLSYPOZIE-UHFFFAOYSA-N 1 2 234.299 1.517 20 30 BDEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)CC#N)n1 ZINC000602868439 349799138 /nfs/dbraw/zinc/79/91/38/349799138.db2.gz BIXTUHJERHFLSF-VIFPVBQESA-N 1 2 233.271 1.260 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000602870055 349800980 /nfs/dbraw/zinc/80/09/80/349800980.db2.gz SDESAJZSYXDWNI-JTQLQIEISA-N 1 2 242.282 1.389 20 30 BDEDLO COc1cc(C[NH2+][C@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000602871159 349802340 /nfs/dbraw/zinc/80/23/40/349802340.db2.gz YNQRPSSOHAGGGG-SECBINFHSA-N 1 2 249.270 1.995 20 30 BDEDLO COC(=O)c1ccc(C[NH2+][C@H](C)CC#N)nc1 ZINC000602870656 349801645 /nfs/dbraw/zinc/80/16/45/349801645.db2.gz OFZRYRNNMBXZRA-SECBINFHSA-N 1 2 233.271 1.260 20 30 BDEDLO COc1ccccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602870360 349801783 /nfs/dbraw/zinc/80/17/83/349801783.db2.gz SOLWUGLUMVMAOL-SNVBAGLBSA-N 1 2 247.298 1.525 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)C(F)(F)F ZINC000068876757 343251523 /nfs/dbraw/zinc/25/15/23/343251523.db2.gz JVTUHBVFSOQKBQ-YUMQZZPRSA-N 1 2 224.226 1.391 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)C(F)(F)F ZINC000068876757 343251525 /nfs/dbraw/zinc/25/15/25/343251525.db2.gz JVTUHBVFSOQKBQ-YUMQZZPRSA-N 1 2 224.226 1.391 20 30 BDEDLO N#CC[C@@H](O)CSc1[nH+]cc2ccccn21 ZINC000287661745 136287880 /nfs/dbraw/zinc/28/78/80/136287880.db2.gz XKYUDCVOFZKNLW-SNVBAGLBSA-N 1 2 233.296 1.701 20 30 BDEDLO N#CCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291944590 136289093 /nfs/dbraw/zinc/28/90/93/136289093.db2.gz UHTNJBAFEWGYJD-CQSZACIVSA-N 1 2 230.311 1.536 20 30 BDEDLO N#CCC[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291944590 136289094 /nfs/dbraw/zinc/28/90/94/136289094.db2.gz UHTNJBAFEWGYJD-CQSZACIVSA-N 1 2 230.311 1.536 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cncc(OC)n1 ZINC000625367887 343260624 /nfs/dbraw/zinc/26/06/24/343260624.db2.gz QCFWKNBKDUCUNU-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cncc(OC)n1 ZINC000625367887 343260625 /nfs/dbraw/zinc/26/06/25/343260625.db2.gz QCFWKNBKDUCUNU-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO C=CCN(CC=C)C(=O)NCc1[nH+]ccn1CC ZINC000298247297 343266448 /nfs/dbraw/zinc/26/64/48/343266448.db2.gz YESZNYQSDOVVFK-UHFFFAOYSA-N 1 2 248.330 1.787 20 30 BDEDLO NC(=[NH+]OCc1ccccc1)[C@@H]1CCCO1 ZINC000283754046 136287056 /nfs/dbraw/zinc/28/70/56/136287056.db2.gz ADRCJGFPYFJFHP-NSHDSACASA-N 1 2 220.272 1.654 20 30 BDEDLO CC[C@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609170737 343325462 /nfs/dbraw/zinc/32/54/62/343325462.db2.gz VHRTXKLGVJHJFL-SNVBAGLBSA-N 1 2 220.276 1.082 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000609175601 343333252 /nfs/dbraw/zinc/33/32/52/343333252.db2.gz NZQUCSAHEJBSPT-LLVKDONJSA-N 1 2 234.303 1.424 20 30 BDEDLO C=CCOCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000292771034 136375883 /nfs/dbraw/zinc/37/58/83/136375883.db2.gz JRXQCTFDNJIZBX-UHFFFAOYSA-N 1 2 225.292 1.405 20 30 BDEDLO CO[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000602897873 349814577 /nfs/dbraw/zinc/81/45/77/349814577.db2.gz LWQXMOPLMRVJBQ-SNVBAGLBSA-N 1 2 212.293 1.231 20 30 BDEDLO CO[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000602897873 349814581 /nfs/dbraw/zinc/81/45/81/349814581.db2.gz LWQXMOPLMRVJBQ-SNVBAGLBSA-N 1 2 212.293 1.231 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCS[C@@H](C)CC1 ZINC000379458022 343522973 /nfs/dbraw/zinc/52/29/73/343522973.db2.gz SDVXGFMPUCHJOJ-UWVGGRQHSA-N 1 2 229.345 1.541 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCS[C@@H](C)CC1 ZINC000379458022 343522974 /nfs/dbraw/zinc/52/29/74/343522974.db2.gz SDVXGFMPUCHJOJ-UWVGGRQHSA-N 1 2 229.345 1.541 20 30 BDEDLO CCN(C#N)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602901743 349816957 /nfs/dbraw/zinc/81/69/57/349816957.db2.gz DSPXQAYAYDLFDO-NSHDSACASA-N 1 2 206.293 1.025 20 30 BDEDLO CCN(C#N)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000602901743 349816961 /nfs/dbraw/zinc/81/69/61/349816961.db2.gz DSPXQAYAYDLFDO-NSHDSACASA-N 1 2 206.293 1.025 20 30 BDEDLO COC1(C[N@@H+]2CC[C@@](F)(C#N)C2)CCCC1 ZINC000616734291 343556079 /nfs/dbraw/zinc/55/60/79/343556079.db2.gz ZHSLMCGAUXKSQA-LLVKDONJSA-N 1 2 226.295 1.883 20 30 BDEDLO COC1(C[N@H+]2CC[C@@](F)(C#N)C2)CCCC1 ZINC000616734291 343556080 /nfs/dbraw/zinc/55/60/80/343556080.db2.gz ZHSLMCGAUXKSQA-LLVKDONJSA-N 1 2 226.295 1.883 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000602942206 349825437 /nfs/dbraw/zinc/82/54/37/349825437.db2.gz LNNJHHTYOPJIPN-JQWIXIFHSA-N 1 2 218.304 1.842 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000602942206 349825442 /nfs/dbraw/zinc/82/54/42/349825442.db2.gz LNNJHHTYOPJIPN-JQWIXIFHSA-N 1 2 218.304 1.842 20 30 BDEDLO COc1cncc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602981954 349833144 /nfs/dbraw/zinc/83/31/44/349833144.db2.gz LSYDVVSEXWODGS-CMPLNLGQSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1cncc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602981954 349833147 /nfs/dbraw/zinc/83/31/47/349833147.db2.gz LSYDVVSEXWODGS-CMPLNLGQSA-N 1 2 246.314 1.609 20 30 BDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)ncn1 ZINC000602981535 349831611 /nfs/dbraw/zinc/83/16/11/349831611.db2.gz FTHZCGDYBDWRBJ-AAEUAGOBSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)ncn1 ZINC000602981535 349831614 /nfs/dbraw/zinc/83/16/14/349831614.db2.gz FTHZCGDYBDWRBJ-AAEUAGOBSA-N 1 2 230.315 1.909 20 30 BDEDLO CCCCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974285 349839291 /nfs/dbraw/zinc/83/92/91/349839291.db2.gz MAVVMZCFJNVMNR-NEPJUHHUSA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974285 349839293 /nfs/dbraw/zinc/83/92/93/349839293.db2.gz MAVVMZCFJNVMNR-NEPJUHHUSA-N 1 2 237.347 1.527 20 30 BDEDLO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602977140 349842050 /nfs/dbraw/zinc/84/20/50/349842050.db2.gz YLJNLVNCFRSUAK-NEPJUHHUSA-N 1 2 235.331 1.137 20 30 BDEDLO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602977140 349842052 /nfs/dbraw/zinc/84/20/52/349842052.db2.gz YLJNLVNCFRSUAK-NEPJUHHUSA-N 1 2 235.331 1.137 20 30 BDEDLO Cn1nccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980326 349845075 /nfs/dbraw/zinc/84/50/75/349845075.db2.gz OUFOFMBHGLQGRB-JQWIXIFHSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1nccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980326 349845080 /nfs/dbraw/zinc/84/50/80/349845080.db2.gz OUFOFMBHGLQGRB-JQWIXIFHSA-N 1 2 218.304 1.544 20 30 BDEDLO CN(Cc1cn(C)c[nH+]1)[C@H]1CCC[C@@H]1C#N ZINC000602980696 349846625 /nfs/dbraw/zinc/84/66/25/349846625.db2.gz UEDWTGHYFKQKQF-PWSUYJOCSA-N 1 2 218.304 1.544 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435896 343754404 /nfs/dbraw/zinc/75/44/04/343754404.db2.gz LSRYOWWNMLTEKI-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435896 343754406 /nfs/dbraw/zinc/75/44/06/343754406.db2.gz LSRYOWWNMLTEKI-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179868727 347000954 /nfs/dbraw/zinc/00/09/54/347000954.db2.gz NFOSNZDZTCNEIL-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179868727 347000957 /nfs/dbraw/zinc/00/09/57/347000957.db2.gz NFOSNZDZTCNEIL-VIFPVBQESA-N 1 2 222.313 1.840 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1C#N ZINC000334535558 343890300 /nfs/dbraw/zinc/89/03/00/343890300.db2.gz SKLIXCNKWDUWMG-CQSZACIVSA-N 1 2 245.326 1.508 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1C#N ZINC000334535558 343890303 /nfs/dbraw/zinc/89/03/03/343890303.db2.gz SKLIXCNKWDUWMG-CQSZACIVSA-N 1 2 245.326 1.508 20 30 BDEDLO Cc1cc(N[C@@H]2CCC[C@@H]2F)c(C#N)c[nH+]1 ZINC000335094792 343927446 /nfs/dbraw/zinc/92/74/46/343927446.db2.gz KWUMRZHGEDNECW-WDEREUQCSA-N 1 2 219.263 1.986 20 30 BDEDLO N#Cc1csc(CNc2c[nH]c[nH+]2)c1 ZINC000306374764 344139676 /nfs/dbraw/zinc/13/96/76/344139676.db2.gz VUPLBAZWOGFMLX-UHFFFAOYSA-N 1 2 204.258 1.955 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000130706067 344224405 /nfs/dbraw/zinc/22/44/05/344224405.db2.gz RBLFFDZDOQCZNX-NSHDSACASA-N 1 2 223.316 1.816 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000130706067 344224407 /nfs/dbraw/zinc/22/44/07/344224407.db2.gz RBLFFDZDOQCZNX-NSHDSACASA-N 1 2 223.316 1.816 20 30 BDEDLO C=CC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641368634 362379021 /nfs/dbraw/zinc/37/90/21/362379021.db2.gz WDRXGTLJILKSFM-UHFFFAOYSA-N 1 2 218.300 1.976 20 30 BDEDLO N#CC1(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000590374878 347046381 /nfs/dbraw/zinc/04/63/81/347046381.db2.gz OXBKXSILXIMXLJ-SNVBAGLBSA-N 1 2 244.298 1.008 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@@H]1CCCOC1)C(=O)OC ZINC000600601549 344338463 /nfs/dbraw/zinc/33/84/63/344338463.db2.gz GAOAQWVBPHWKTR-QWRGUYRKSA-N 1 2 227.304 1.120 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000069052311 344543107 /nfs/dbraw/zinc/54/31/07/344543107.db2.gz VZPFHQRPAGZSLT-SNVBAGLBSA-N 1 2 214.272 1.687 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000069052311 344543108 /nfs/dbraw/zinc/54/31/08/344543108.db2.gz VZPFHQRPAGZSLT-SNVBAGLBSA-N 1 2 214.272 1.687 20 30 BDEDLO CC[N@@H+](Cc1ccnc(C#N)c1)C[C@H](C)C#N ZINC000069052305 344543121 /nfs/dbraw/zinc/54/31/21/344543121.db2.gz IVSXVKSYHXKFJJ-LLVKDONJSA-N 1 2 228.299 1.935 20 30 BDEDLO CC[N@H+](Cc1ccnc(C#N)c1)C[C@H](C)C#N ZINC000069052305 344543122 /nfs/dbraw/zinc/54/31/22/344543122.db2.gz IVSXVKSYHXKFJJ-LLVKDONJSA-N 1 2 228.299 1.935 20 30 BDEDLO C=CCOC[C@@H]([NH2+]CC1(C)CC1)C(=O)OC ZINC000309483223 347074587 /nfs/dbraw/zinc/07/45/87/347074587.db2.gz UKKHDDNPPAVADZ-SNVBAGLBSA-N 1 2 227.304 1.120 20 30 BDEDLO C[C@@H](C#N)CN(C)CC[N@H+](C)C[C@H](C)C#N ZINC000358977726 344892161 /nfs/dbraw/zinc/89/21/61/344892161.db2.gz LKBZKKGNULFYCS-TXEJJXNPSA-N 1 2 222.336 1.169 20 30 BDEDLO C[C@@H](C#N)CN(C)CC[N@@H+](C)C[C@H](C)C#N ZINC000358977726 344892164 /nfs/dbraw/zinc/89/21/64/344892164.db2.gz LKBZKKGNULFYCS-TXEJJXNPSA-N 1 2 222.336 1.169 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)CCN(C)C[C@H](C)C#N ZINC000358977726 344892165 /nfs/dbraw/zinc/89/21/65/344892165.db2.gz LKBZKKGNULFYCS-TXEJJXNPSA-N 1 2 222.336 1.169 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)CCN(C)C[C@H](C)C#N ZINC000358977726 344892168 /nfs/dbraw/zinc/89/21/68/344892168.db2.gz LKBZKKGNULFYCS-TXEJJXNPSA-N 1 2 222.336 1.169 20 30 BDEDLO C=CCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000582127712 344912440 /nfs/dbraw/zinc/91/24/40/344912440.db2.gz GREXQLPQZHZWFS-UHFFFAOYSA-N 1 2 207.277 1.727 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000424822762 192081455 /nfs/dbraw/zinc/08/14/55/192081455.db2.gz HAWZRJWIIKBFNJ-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO CC[C@H](C)[C@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000425220620 192084593 /nfs/dbraw/zinc/08/45/93/192084593.db2.gz CPURFJZXIGZPFU-TVQRCGJNSA-N 1 2 233.315 1.503 20 30 BDEDLO COc1cc[nH+]c(CN(C)[C@H](C)CC#N)c1 ZINC000123752284 345014608 /nfs/dbraw/zinc/01/46/08/345014608.db2.gz FLRUXZBUMSJJLI-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO CC[C@@H](C)[C@@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000425220619 192084854 /nfs/dbraw/zinc/08/48/54/192084854.db2.gz CPURFJZXIGZPFU-RNCFNFMXSA-N 1 2 233.315 1.503 20 30 BDEDLO Cc1nc(CC[N@H+](C)CCC#N)cs1 ZINC000125135477 345067548 /nfs/dbraw/zinc/06/75/48/345067548.db2.gz PIQGSTZVTGIEQE-UHFFFAOYSA-N 1 2 209.318 1.840 20 30 BDEDLO Cc1nc(CC[N@@H+](C)CCC#N)cs1 ZINC000125135477 345067551 /nfs/dbraw/zinc/06/75/51/345067551.db2.gz PIQGSTZVTGIEQE-UHFFFAOYSA-N 1 2 209.318 1.840 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641640871 362570252 /nfs/dbraw/zinc/57/02/52/362570252.db2.gz JHEQDKQCJQYENV-RYUDHWBXSA-N 1 2 234.299 1.577 20 30 BDEDLO Cc1ccc(C(N)=[NH+]OCCCO)cc1F ZINC000127389655 345177614 /nfs/dbraw/zinc/17/76/14/345177614.db2.gz QFMHUDNPABAROE-UHFFFAOYSA-N 1 2 226.251 1.153 20 30 BDEDLO Cc1cc(N2CCCO[C@@H](CF)C2)c(C#N)c[nH+]1 ZINC000425267732 192086800 /nfs/dbraw/zinc/08/68/00/192086800.db2.gz MFZJFMWWSLEYPJ-LBPRGKRZSA-N 1 2 249.289 1.827 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635065500 345237575 /nfs/dbraw/zinc/23/75/75/345237575.db2.gz KTJFMIVGKWMLDG-GHMZBOCLSA-N 1 2 231.299 1.714 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635065500 345237577 /nfs/dbraw/zinc/23/75/77/345237577.db2.gz KTJFMIVGKWMLDG-GHMZBOCLSA-N 1 2 231.299 1.714 20 30 BDEDLO Cc1cc(N2CCCO[C@H](CF)C2)c(C#N)c[nH+]1 ZINC000425267731 192086991 /nfs/dbraw/zinc/08/69/91/192086991.db2.gz MFZJFMWWSLEYPJ-GFCCVEGCSA-N 1 2 249.289 1.827 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000081565416 345479068 /nfs/dbraw/zinc/47/90/68/345479068.db2.gz VBUIDMHILVKNFC-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO C=CCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000081565416 345479070 /nfs/dbraw/zinc/47/90/70/345479070.db2.gz VBUIDMHILVKNFC-SECBINFHSA-N 1 2 225.292 1.785 20 30 BDEDLO C=C(C)CCn1cc[nH+]c1CN1CCOCC1 ZINC000641725486 362641609 /nfs/dbraw/zinc/64/16/09/362641609.db2.gz KWHWPHWGDNCUGA-UHFFFAOYSA-N 1 2 235.331 1.682 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000139671535 345801179 /nfs/dbraw/zinc/80/11/79/345801179.db2.gz QHXFZFDXYQWKHQ-KCJUWKMLSA-N 1 2 220.276 1.527 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635673400 345971325 /nfs/dbraw/zinc/97/13/25/345971325.db2.gz HDZIFJMPYQCMBO-IWSPIJDZSA-N 1 2 205.261 1.204 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635673400 345971327 /nfs/dbraw/zinc/97/13/27/345971327.db2.gz HDZIFJMPYQCMBO-IWSPIJDZSA-N 1 2 205.261 1.204 20 30 BDEDLO Cc1ccccc1[C@H](CO)[NH2+]CCC#N ZINC000563221100 323104543 /nfs/dbraw/zinc/10/45/43/323104543.db2.gz VWEIRZXNXXYNHQ-LBPRGKRZSA-N 1 2 204.273 1.532 20 30 BDEDLO C=CCCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635738208 346045890 /nfs/dbraw/zinc/04/58/90/346045890.db2.gz LWRPIIKOUWKZRT-GHMZBOCLSA-N 1 2 249.314 1.222 20 30 BDEDLO C=CCCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635738208 346045893 /nfs/dbraw/zinc/04/58/93/346045893.db2.gz LWRPIIKOUWKZRT-GHMZBOCLSA-N 1 2 249.314 1.222 20 30 BDEDLO CC#CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635971000 346128136 /nfs/dbraw/zinc/12/81/36/346128136.db2.gz SEGGGKILCCHMRB-CYBMUJFWSA-N 1 2 247.342 1.952 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587050714 346178965 /nfs/dbraw/zinc/17/89/65/346178965.db2.gz BZHGHXXJLLKBLK-JTQLQIEISA-N 1 2 246.314 1.254 20 30 BDEDLO C=CCCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278595209 166233331 /nfs/dbraw/zinc/23/33/31/166233331.db2.gz ZWFRKWIYYGDSJR-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C=CCCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000278595209 166233332 /nfs/dbraw/zinc/23/33/32/166233332.db2.gz ZWFRKWIYYGDSJR-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C=CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636170802 346344304 /nfs/dbraw/zinc/34/43/04/346344304.db2.gz UHXYHEZNYVFWBL-RKDXNWHRSA-N 1 2 205.261 1.206 20 30 BDEDLO C=CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636170802 346344308 /nfs/dbraw/zinc/34/43/08/346344308.db2.gz UHXYHEZNYVFWBL-RKDXNWHRSA-N 1 2 205.261 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237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@H+](CCCO)C2CC2)n1 ZINC000589500119 346707597 /nfs/dbraw/zinc/70/75/97/346707597.db2.gz ZKZAKJGGBXRGHS-UHFFFAOYSA-N 1 2 237.328 1.362 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580210005 346676928 /nfs/dbraw/zinc/67/69/28/346676928.db2.gz IYCOKBILSAVDAC-LLVKDONJSA-N 1 2 248.330 1.739 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580210005 346676929 /nfs/dbraw/zinc/67/69/29/346676929.db2.gz IYCOKBILSAVDAC-LLVKDONJSA-N 1 2 248.330 1.739 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000590006129 346763049 /nfs/dbraw/zinc/76/30/49/346763049.db2.gz WEYQDFDNKTUVTA-QWHCGFSZSA-N 1 2 214.268 1.531 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000590006129 346763052 /nfs/dbraw/zinc/76/30/52/346763052.db2.gz WEYQDFDNKTUVTA-QWHCGFSZSA-N 1 2 214.268 1.531 20 30 BDEDLO Cc1ccoc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000589827890 346741754 /nfs/dbraw/zinc/74/17/54/346741754.db2.gz ZWWPKCYLIGGQRL-GFCCVEGCSA-N 1 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CCC[C@H](O)C[N@@H+](CCC#N)CCOC ZINC000590698215 347492681 /nfs/dbraw/zinc/49/26/81/347492681.db2.gz QSMYEGNVJCDZQM-NSHDSACASA-N 1 2 214.309 1.009 20 30 BDEDLO CCC[C@H](O)C[N@H+](CCC#N)CCOC ZINC000590698215 347492684 /nfs/dbraw/zinc/49/26/84/347492684.db2.gz QSMYEGNVJCDZQM-NSHDSACASA-N 1 2 214.309 1.009 20 30 BDEDLO CC(C)c1nc(N2CCN(CC#N)CC2)cc[nH+]1 ZINC000110473845 347467787 /nfs/dbraw/zinc/46/77/87/347467787.db2.gz DBHBLBZAACDROH-UHFFFAOYSA-N 1 2 245.330 1.246 20 30 BDEDLO COc1cccc2c1C[N@H+](CCC#N)CC2 ZINC000590759772 347518214 /nfs/dbraw/zinc/51/82/14/347518214.db2.gz MBAIRQACTPJALQ-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO COc1cccc2c1C[N@@H+](CCC#N)CC2 ZINC000590759772 347518216 /nfs/dbraw/zinc/51/82/16/347518216.db2.gz MBAIRQACTPJALQ-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO CC(=O)N1CC[N@H+](CC2(C#N)CC2)C(C)(C)C1 ZINC000334241051 347556215 /nfs/dbraw/zinc/55/62/15/347556215.db2.gz OZHZEANMSYBTKV-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO CC(=O)N1CC[N@@H+](CC2(C#N)CC2)C(C)(C)C1 ZINC000334241051 347556217 /nfs/dbraw/zinc/55/62/17/347556217.db2.gz OZHZEANMSYBTKV-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC ZINC000591377388 347651107 /nfs/dbraw/zinc/65/11/07/347651107.db2.gz LEXDBBXHOZKDIO-ZNSHCXBVSA-N 1 2 227.304 1.117 20 30 BDEDLO COCC[N@H+](CCC#N)CCc1cncs1 ZINC000591015777 347606970 /nfs/dbraw/zinc/60/69/70/347606970.db2.gz YSXQKAITYURJNT-UHFFFAOYSA-N 1 2 239.344 1.548 20 30 BDEDLO COCC[N@@H+](CCC#N)CCc1cncs1 ZINC000591015777 347606971 /nfs/dbraw/zinc/60/69/71/347606971.db2.gz YSXQKAITYURJNT-UHFFFAOYSA-N 1 2 239.344 1.548 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)[C@H]1CCOC1 ZINC000592071097 347727625 /nfs/dbraw/zinc/72/76/25/347727625.db2.gz ZIZQONGKWZZFFG-LBPRGKRZSA-N 1 2 217.272 1.174 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCOC1 ZINC000592071097 347727627 /nfs/dbraw/zinc/72/76/27/347727627.db2.gz ZIZQONGKWZZFFG-LBPRGKRZSA-N 1 2 217.272 1.174 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)C[C@H]1CCCO1 ZINC000592060966 347732195 /nfs/dbraw/zinc/73/21/95/347732195.db2.gz DQOSWLLWGCWRMJ-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)C[C@H]1CCCO1 ZINC000592060966 347732198 /nfs/dbraw/zinc/73/21/98/347732198.db2.gz DQOSWLLWGCWRMJ-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1ccncc1C#N ZINC000592100422 347733117 /nfs/dbraw/zinc/73/31/17/347733117.db2.gz WSTYEAVKUQIJPB-UHFFFAOYSA-N 1 2 201.273 1.961 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1ccncc1C#N ZINC000592100422 347733118 /nfs/dbraw/zinc/73/31/18/347733118.db2.gz WSTYEAVKUQIJPB-UHFFFAOYSA-N 1 2 201.273 1.961 20 30 BDEDLO COCC1=CC[N@H+](Cc2ccncc2C#N)CC1 ZINC000592106297 347734272 /nfs/dbraw/zinc/73/42/72/347734272.db2.gz AQFOBUKOWRXJDA-UHFFFAOYSA-N 1 2 243.310 1.732 20 30 BDEDLO COCC1=CC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592106297 347734276 /nfs/dbraw/zinc/73/42/76/347734276.db2.gz AQFOBUKOWRXJDA-UHFFFAOYSA-N 1 2 243.310 1.732 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cncc(F)c2)C1 ZINC000592150680 347742035 /nfs/dbraw/zinc/74/20/35/347742035.db2.gz GIHUESYXHOGIFQ-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000592150680 347742039 /nfs/dbraw/zinc/74/20/39/347742039.db2.gz GIHUESYXHOGIFQ-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO C[C@H]1C[N@H+](CCC#N)CC2(CCCC2)O1 ZINC000592186606 347760912 /nfs/dbraw/zinc/76/09/12/347760912.db2.gz DOGMWLFZGPDRMN-NSHDSACASA-N 1 2 208.305 1.934 20 30 BDEDLO C[C@H]1C[N@@H+](CCC#N)CC2(CCCC2)O1 ZINC000592186606 347760916 /nfs/dbraw/zinc/76/09/16/347760916.db2.gz DOGMWLFZGPDRMN-NSHDSACASA-N 1 2 208.305 1.934 20 30 BDEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@@H](F)C3)cnc12 ZINC000592514637 347793317 /nfs/dbraw/zinc/79/33/17/347793317.db2.gz UMMLFZFDDSJIHL-LLVKDONJSA-N 1 2 245.261 1.145 20 30 BDEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](F)C3)cnc12 ZINC000592514637 347793320 /nfs/dbraw/zinc/79/33/20/347793320.db2.gz UMMLFZFDDSJIHL-LLVKDONJSA-N 1 2 245.261 1.145 20 30 BDEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154761 347866488 /nfs/dbraw/zinc/86/64/88/347866488.db2.gz BLXHHLOFOVPTTE-GVXVVHGQSA-N 1 2 237.347 1.239 20 30 BDEDLO C[C@H](CCO)[N@H+](C)Cc1nc(C#N)cs1 ZINC000593108464 347860689 /nfs/dbraw/zinc/86/06/89/347860689.db2.gz PWWBELKGIKZQDW-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO C[C@H](CCO)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000593108464 347860691 /nfs/dbraw/zinc/86/06/91/347860691.db2.gz PWWBELKGIKZQDW-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000593404619 347884196 /nfs/dbraw/zinc/88/41/96/347884196.db2.gz RUNGKQXNPNKIRB-LLVKDONJSA-N 1 2 246.314 1.314 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000593442727 347891527 /nfs/dbraw/zinc/89/15/27/347891527.db2.gz ZMXQLKCLIHMESG-LLVKDONJSA-N 1 2 246.314 1.596 20 30 BDEDLO CCN(CC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593417455 347893724 /nfs/dbraw/zinc/89/37/24/347893724.db2.gz GFDYMCKWZZLLNS-UHFFFAOYSA-N 1 2 246.314 1.134 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000593736652 347938712 /nfs/dbraw/zinc/93/87/12/347938712.db2.gz DFHZSBOJGFLYFA-IVZWLZJFSA-N 1 2 232.287 1.555 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000593737725 347939476 /nfs/dbraw/zinc/93/94/76/347939476.db2.gz RWFNFMSUTZIPJE-ZJUUUORDSA-N 1 2 234.303 1.630 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000593528439 347911512 /nfs/dbraw/zinc/91/15/12/347911512.db2.gz LONUZNAMOUKXGP-LLVKDONJSA-N 1 2 242.282 1.500 20 30 BDEDLO CCc1cccc(C[NH+]2CC(O)(CC#N)C2)c1 ZINC000593616698 347915854 /nfs/dbraw/zinc/91/58/54/347915854.db2.gz MAZCJOGBELJTHV-UHFFFAOYSA-N 1 2 230.311 1.709 20 30 BDEDLO N#CC1(CNC(=O)CCc2[nH]cc[nH+]2)CCCC1 ZINC000593787010 347952012 /nfs/dbraw/zinc/95/20/12/347952012.db2.gz OWQQJIDWNRJAKY-UHFFFAOYSA-N 1 2 246.314 1.542 20 30 BDEDLO CC1(C#N)C[NH+](CCC[C@H]2CCOC2)C1 ZINC000593980418 347986147 /nfs/dbraw/zinc/98/61/47/347986147.db2.gz CUZFHGQVICSCMC-NSHDSACASA-N 1 2 208.305 1.649 20 30 BDEDLO CCOC(=O)CCCCC[NH+]1CC(C)(C#N)C1 ZINC000593982279 347986837 /nfs/dbraw/zinc/98/68/37/347986837.db2.gz CBSYSPWBEDPMBF-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000594285853 348030237 /nfs/dbraw/zinc/03/02/37/348030237.db2.gz MHISSXLWEROCJN-LLVKDONJSA-N 1 2 237.347 1.383 20 30 BDEDLO COc1c(C)[nH+]cnc1N1CCC(CC#N)CC1 ZINC000594574555 348074460 /nfs/dbraw/zinc/07/44/60/348074460.db2.gz FDZZBZFPTWKYJK-UHFFFAOYSA-N 1 2 246.314 1.924 20 30 BDEDLO N#CCCCCC(=O)Nc1cc[nH+]cc1O ZINC000594330689 348034331 /nfs/dbraw/zinc/03/43/31/348034331.db2.gz HGCMXDXIDCZOTK-UHFFFAOYSA-N 1 2 219.244 1.232 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C(=O)OC ZINC000594725411 348108197 /nfs/dbraw/zinc/10/81/97/348108197.db2.gz KIPXTUBGSPOWMR-SCZZXKLOSA-N 1 2 233.258 1.739 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C(=O)OC ZINC000594725413 348108212 /nfs/dbraw/zinc/10/82/12/348108212.db2.gz KIPXTUBGSPOWMR-WPRPVWTQSA-N 1 2 233.258 1.739 20 30 BDEDLO COC(=O)c1cc(C[NH2+][C@H](C)CC#N)c(C)o1 ZINC000594610656 348082588 /nfs/dbraw/zinc/08/25/88/348082588.db2.gz GFFZIGSIMYBHHS-MRVPVSSYSA-N 1 2 236.271 1.766 20 30 BDEDLO Cc1nocc1C[NH+]1CCN(CCC#N)CC1 ZINC000595391429 348243808 /nfs/dbraw/zinc/24/38/08/348243808.db2.gz KWOHHOILJDMTTB-UHFFFAOYSA-N 1 2 234.303 1.014 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595421634 348245534 /nfs/dbraw/zinc/24/55/34/348245534.db2.gz HYOOZYKQZKLJOU-UHFFFAOYSA-N 1 2 225.248 1.899 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595421634 348245537 /nfs/dbraw/zinc/24/55/37/348245537.db2.gz HYOOZYKQZKLJOU-UHFFFAOYSA-N 1 2 225.248 1.899 20 30 BDEDLO C[N@H+](CCC#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595344106 348234280 /nfs/dbraw/zinc/23/42/80/348234280.db2.gz LQQRQCQFWYOTPJ-IJLUTSLNSA-N 1 2 235.331 1.279 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595344106 348234281 /nfs/dbraw/zinc/23/42/81/348234281.db2.gz LQQRQCQFWYOTPJ-IJLUTSLNSA-N 1 2 235.331 1.279 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)no1 ZINC000595528749 348272630 /nfs/dbraw/zinc/27/26/30/348272630.db2.gz DYVNOQQYTOWJNM-QMMMGPOBSA-N 1 2 209.249 1.465 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000595559425 348280339 /nfs/dbraw/zinc/28/03/39/348280339.db2.gz RTRFGWCLKVQDRR-ZDUSSCGKSA-N 1 2 247.298 1.402 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000595559425 348280343 /nfs/dbraw/zinc/28/03/43/348280343.db2.gz RTRFGWCLKVQDRR-ZDUSSCGKSA-N 1 2 247.298 1.402 20 30 BDEDLO COC[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)OC ZINC000595559094 348280371 /nfs/dbraw/zinc/28/03/71/348280371.db2.gz DSTNRNMHNYEMLF-ZDUSSCGKSA-N 1 2 246.310 1.535 20 30 BDEDLO COC[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)OC ZINC000595559094 348280375 /nfs/dbraw/zinc/28/03/75/348280375.db2.gz DSTNRNMHNYEMLF-ZDUSSCGKSA-N 1 2 246.310 1.535 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000595720854 348327597 /nfs/dbraw/zinc/32/75/97/348327597.db2.gz MPUDGVVRNAZTOF-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000595720854 348327598 /nfs/dbraw/zinc/32/75/98/348327598.db2.gz MPUDGVVRNAZTOF-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@]12COC[C@H]1C[N@H+](Cc1nc(C#N)cs1)C2 ZINC000595755852 348330526 /nfs/dbraw/zinc/33/05/26/348330526.db2.gz DVWYNPXVLHTNPO-BXKDBHETSA-N 1 2 249.339 1.483 20 30 BDEDLO C[C@@]12COC[C@H]1C[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000595755852 348330528 /nfs/dbraw/zinc/33/05/28/348330528.db2.gz DVWYNPXVLHTNPO-BXKDBHETSA-N 1 2 249.339 1.483 20 30 BDEDLO CC[N@H+](C[C@H]1CCNC(=O)CC1)[C@H](C)C#N ZINC000595816100 348343382 /nfs/dbraw/zinc/34/33/82/348343382.db2.gz DSSKGUIGXFOKMZ-GHMZBOCLSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H](C)C#N ZINC000595816100 348343385 /nfs/dbraw/zinc/34/33/85/348343385.db2.gz DSSKGUIGXFOKMZ-GHMZBOCLSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@H+](C[C@H](OC)[C@@H]1CCOC1)[C@@H](C)C#N ZINC000595817177 348343951 /nfs/dbraw/zinc/34/39/51/348343951.db2.gz HOICVGQYADHOFK-TUAOUCFPSA-N 1 2 226.320 1.272 20 30 BDEDLO CC[N@@H+](C[C@H](OC)[C@@H]1CCOC1)[C@@H](C)C#N ZINC000595817177 348343953 /nfs/dbraw/zinc/34/39/53/348343953.db2.gz HOICVGQYADHOFK-TUAOUCFPSA-N 1 2 226.320 1.272 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834888 348368242 /nfs/dbraw/zinc/36/82/42/348368242.db2.gz MQEWZXQOYCWVSD-CQSZACIVSA-N 1 2 249.358 1.647 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834888 348368243 /nfs/dbraw/zinc/36/82/43/348368243.db2.gz MQEWZXQOYCWVSD-CQSZACIVSA-N 1 2 249.358 1.647 20 30 BDEDLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835342 348369091 /nfs/dbraw/zinc/36/90/91/348369091.db2.gz QSVIZMKLAFYWPD-GXTWGEPZSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835342 348369094 /nfs/dbraw/zinc/36/90/94/348369094.db2.gz QSVIZMKLAFYWPD-GXTWGEPZSA-N 1 2 249.358 1.623 20 30 BDEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595837166 348370765 /nfs/dbraw/zinc/37/07/65/348370765.db2.gz FBTWVEURLBWWGC-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595837166 348370768 /nfs/dbraw/zinc/37/07/68/348370768.db2.gz FBTWVEURLBWWGC-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO C[C@@]1(C#N)CCN(CC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595840288 348373151 /nfs/dbraw/zinc/37/31/51/348373151.db2.gz MXGWVGWZIJISDU-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO C[C@@]1(C#N)CCN(CC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595840288 348373152 /nfs/dbraw/zinc/37/31/52/348373152.db2.gz MXGWVGWZIJISDU-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCN2CC[C@](C)(C#N)C2)C1 ZINC000595840288 348373156 /nfs/dbraw/zinc/37/31/56/348373156.db2.gz MXGWVGWZIJISDU-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCN2CC[C@](C)(C#N)C2)C1 ZINC000595840288 348373158 /nfs/dbraw/zinc/37/31/58/348373158.db2.gz MXGWVGWZIJISDU-OKILXGFUSA-N 1 2 246.358 1.458 20 30 BDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841143 348376411 /nfs/dbraw/zinc/37/64/11/348376411.db2.gz IKNCKAIFPFAZQT-CQSZACIVSA-N 1 2 244.342 1.883 20 30 BDEDLO CN(C)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841143 348376412 /nfs/dbraw/zinc/37/64/12/348376412.db2.gz IKNCKAIFPFAZQT-CQSZACIVSA-N 1 2 244.342 1.883 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000595841995 348376620 /nfs/dbraw/zinc/37/66/20/348376620.db2.gz BJEOEMWBUBPRHT-DTWKUNHWSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000595841995 348376624 /nfs/dbraw/zinc/37/66/24/348376624.db2.gz BJEOEMWBUBPRHT-DTWKUNHWSA-N 1 2 236.237 1.535 20 30 BDEDLO CCn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595843070 348379999 /nfs/dbraw/zinc/37/99/99/348379999.db2.gz YBQLQKULIKCJOA-LBPRGKRZSA-N 1 2 218.304 1.639 20 30 BDEDLO CCn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595843070 348380001 /nfs/dbraw/zinc/38/00/01/348380001.db2.gz YBQLQKULIKCJOA-LBPRGKRZSA-N 1 2 218.304 1.639 20 30 BDEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccn1 ZINC000595843644 348381137 /nfs/dbraw/zinc/38/11/37/348381137.db2.gz LSDWSJUFWGZECR-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccn1 ZINC000595843644 348381139 /nfs/dbraw/zinc/38/11/39/348381139.db2.gz LSDWSJUFWGZECR-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO CC[N@H+](C[C@H](O)CC(F)(F)F)[C@@H](C)C#N ZINC000595820839 348362516 /nfs/dbraw/zinc/36/25/16/348362516.db2.gz PJNPZGOMQUDMRN-JGVFFNPUSA-N 1 2 224.226 1.534 20 30 BDEDLO CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H](C)C#N ZINC000595820839 348362519 /nfs/dbraw/zinc/36/25/19/348362519.db2.gz PJNPZGOMQUDMRN-JGVFFNPUSA-N 1 2 224.226 1.534 20 30 BDEDLO CC[N@H+](CCCC(=O)N(C)C)[C@H](C)C#N ZINC000595820666 348362526 /nfs/dbraw/zinc/36/25/26/348362526.db2.gz OSBVWYAQJDGORC-SNVBAGLBSA-N 1 2 211.309 1.089 20 30 BDEDLO CC[N@@H+](CCCC(=O)N(C)C)[C@H](C)C#N ZINC000595820666 348362528 /nfs/dbraw/zinc/36/25/28/348362528.db2.gz OSBVWYAQJDGORC-SNVBAGLBSA-N 1 2 211.309 1.089 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000205015873 348441094 /nfs/dbraw/zinc/44/10/94/348441094.db2.gz XPWPJNSFKPBVBH-GFCCVEGCSA-N 1 2 240.253 1.844 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000205015873 348441095 /nfs/dbraw/zinc/44/10/95/348441095.db2.gz XPWPJNSFKPBVBH-GFCCVEGCSA-N 1 2 240.253 1.844 20 30 BDEDLO N#CC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000396918951 349996712 /nfs/dbraw/zinc/99/67/12/349996712.db2.gz IMPRNLYKKFQQEY-UHFFFAOYSA-N 1 2 244.298 1.378 20 30 BDEDLO N#CC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000396918951 349996718 /nfs/dbraw/zinc/99/67/18/349996718.db2.gz IMPRNLYKKFQQEY-UHFFFAOYSA-N 1 2 244.298 1.378 20 30 BDEDLO Cc1nc(N(C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC000596305157 348491988 /nfs/dbraw/zinc/49/19/88/348491988.db2.gz DNHZMOXXYBQAPS-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO Cc1nc(N(C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC000596305157 348491991 /nfs/dbraw/zinc/49/19/91/348491991.db2.gz DNHZMOXXYBQAPS-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2cc(C#N)ncn2)c2[nH+]ccn21 ZINC000596257449 348476784 /nfs/dbraw/zinc/47/67/84/348476784.db2.gz OIGRLNUKKQMEJL-PSASIEDQSA-N 1 2 240.270 1.663 20 30 BDEDLO C[C@@H](Nc1ccc(C#N)cn1)c1[nH+]ccn1C ZINC000596543148 348584520 /nfs/dbraw/zinc/58/45/20/348584520.db2.gz LUCSQKLLKYRCND-SECBINFHSA-N 1 2 227.271 1.282 20 30 BDEDLO Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)c(C#N)c[nH+]1 ZINC000596479810 348556128 /nfs/dbraw/zinc/55/61/28/348556128.db2.gz KWYLGALIZIBCKS-TZMCWYRMSA-N 1 2 243.310 1.734 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597036736 348646952 /nfs/dbraw/zinc/64/69/52/348646952.db2.gz XYJXKLREBDBZHP-GXFFZTMASA-N 1 2 246.314 1.254 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000597009445 348649866 /nfs/dbraw/zinc/64/98/66/348649866.db2.gz QIRZFPBIHNEJGC-SNVBAGLBSA-N 1 2 246.314 1.665 20 30 BDEDLO C[C@@H](C#N)CNCc1c[nH+]c2n1CCC2 ZINC000597084360 348655193 /nfs/dbraw/zinc/65/51/93/348655193.db2.gz YWQCFERGLXORMQ-VIFPVBQESA-N 1 2 204.277 1.079 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc2n1CCC2 ZINC000597084360 348655197 /nfs/dbraw/zinc/65/51/97/348655197.db2.gz YWQCFERGLXORMQ-VIFPVBQESA-N 1 2 204.277 1.079 20 30 BDEDLO CCCn1cc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597193507 348671325 /nfs/dbraw/zinc/67/13/25/348671325.db2.gz FZTRJQKOMOVXIF-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO Cn1ncc(C2CC2)c1C[NH2+]CC1(C#N)CC1 ZINC000597121400 348663710 /nfs/dbraw/zinc/66/37/10/348663710.db2.gz OKNFAGCPIMYERY-UHFFFAOYSA-N 1 2 230.315 1.691 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596891028 348629523 /nfs/dbraw/zinc/62/95/23/348629523.db2.gz NYYFOUZOQMTDGH-GHMZBOCLSA-N 1 2 246.314 1.286 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596932873 348635259 /nfs/dbraw/zinc/63/52/59/348635259.db2.gz SOOAUODNLTZIAZ-VHSXEESVSA-N 1 2 249.318 1.282 20 30 BDEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)[nH]1 ZINC000597204226 348677461 /nfs/dbraw/zinc/67/74/61/348677461.db2.gz UVKPEMGUJAOHQR-UHFFFAOYSA-N 1 2 233.271 1.147 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597189238 348685906 /nfs/dbraw/zinc/68/59/06/348685906.db2.gz RTGJHSGZWBCBBJ-MXWKQRLJSA-N 1 2 246.314 1.188 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000597230627 348698635 /nfs/dbraw/zinc/69/86/35/348698635.db2.gz HIOYCMWCCHZYSZ-CYBMUJFWSA-N 1 2 230.315 1.565 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000597230627 348698636 /nfs/dbraw/zinc/69/86/36/348698636.db2.gz HIOYCMWCCHZYSZ-CYBMUJFWSA-N 1 2 230.315 1.565 20 30 BDEDLO CC[C@H](C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000597601348 348767683 /nfs/dbraw/zinc/76/76/83/348767683.db2.gz ZYBCZHAXVKPFPH-SECBINFHSA-N 1 2 228.255 1.823 20 30 BDEDLO C[C@H](CC#N)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000597683229 348778738 /nfs/dbraw/zinc/77/87/38/348778738.db2.gz BDCMIOSHQPHIIW-HTQZYQBOSA-N 1 2 206.249 1.137 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597489788 348749194 /nfs/dbraw/zinc/74/91/94/348749194.db2.gz OHMSADZCRCPXFP-VIFPVBQESA-N 1 2 246.314 1.181 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597489788 348749195 /nfs/dbraw/zinc/74/91/95/348749195.db2.gz OHMSADZCRCPXFP-VIFPVBQESA-N 1 2 246.314 1.181 20 30 BDEDLO C[C@@H](CC#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000597734354 348800160 /nfs/dbraw/zinc/80/01/60/348800160.db2.gz ADORMLQZCSSBHI-QMMMGPOBSA-N 1 2 220.276 1.311 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597903031 348840179 /nfs/dbraw/zinc/84/01/79/348840179.db2.gz GIKWXLCUUPCAQT-LLVKDONJSA-N 1 2 246.314 1.413 20 30 BDEDLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)C#N ZINC000598349477 348936180 /nfs/dbraw/zinc/93/61/80/348936180.db2.gz KYMWCBFOWFPHPH-GHMZBOCLSA-N 1 2 246.314 1.206 20 30 BDEDLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)C#N ZINC000598350658 348936979 /nfs/dbraw/zinc/93/69/79/348936979.db2.gz RSQJWMIKDBMLFD-UWVGGRQHSA-N 1 2 234.303 1.349 20 30 BDEDLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)C#N ZINC000598350658 348936982 /nfs/dbraw/zinc/93/69/82/348936982.db2.gz RSQJWMIKDBMLFD-UWVGGRQHSA-N 1 2 234.303 1.349 20 30 BDEDLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H](C)C#N ZINC000598358758 348943470 /nfs/dbraw/zinc/94/34/70/348943470.db2.gz QVZBVVBSJNEHKX-QWRGUYRKSA-N 1 2 246.314 1.206 20 30 BDEDLO C[C@@H](CC#N)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464353 348977920 /nfs/dbraw/zinc/97/79/20/348977920.db2.gz IQFTZUUPOQXQIB-IUCAKERBSA-N 1 2 220.276 1.147 20 30 BDEDLO CCN(CC#N)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599155094 349107154 /nfs/dbraw/zinc/10/71/54/349107154.db2.gz SRODBPBBQFTTQI-LLVKDONJSA-N 1 2 246.314 1.126 20 30 BDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1F ZINC000599159863 349109038 /nfs/dbraw/zinc/10/90/38/349109038.db2.gz DSJIKSPIDXNXMF-NSHDSACASA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1F ZINC000599159863 349109040 /nfs/dbraw/zinc/10/90/40/349109040.db2.gz DSJIKSPIDXNXMF-NSHDSACASA-N 1 2 249.289 1.440 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1C#N ZINC000599309316 349144411 /nfs/dbraw/zinc/14/44/11/349144411.db2.gz WBXRRFCKHUQGKI-AWEZNQCLSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1C#N ZINC000599309316 349144412 /nfs/dbraw/zinc/14/44/12/349144412.db2.gz WBXRRFCKHUQGKI-AWEZNQCLSA-N 1 2 246.310 1.060 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOC1CCOCC1 ZINC000599427977 349186019 /nfs/dbraw/zinc/18/60/19/349186019.db2.gz FRYXKTPOBUDYKQ-UHFFFAOYSA-N 1 2 238.331 1.584 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOC1CCOCC1 ZINC000599427977 349186022 /nfs/dbraw/zinc/18/60/22/349186022.db2.gz FRYXKTPOBUDYKQ-UHFFFAOYSA-N 1 2 238.331 1.584 20 30 BDEDLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cc1C#N ZINC000599380441 349163442 /nfs/dbraw/zinc/16/34/42/349163442.db2.gz VEIZIZGHYTWYMN-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cc1C#N ZINC000599380441 349163444 /nfs/dbraw/zinc/16/34/44/349163444.db2.gz VEIZIZGHYTWYMN-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C#N ZINC000601812875 349348231 /nfs/dbraw/zinc/34/82/31/349348231.db2.gz ZNGYBGGNHLLTSW-VXGBXAGGSA-N 1 2 246.314 1.424 20 30 BDEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCC[C@H]1C#N ZINC000601820402 349353413 /nfs/dbraw/zinc/35/34/13/349353413.db2.gz OIPMDFWFWRNSEH-JQWIXIFHSA-N 1 2 246.314 1.113 20 30 BDEDLO CC(C)C[C@H](C(=O)N(C)CCC#N)n1cc[nH+]c1 ZINC000602079751 349430151 /nfs/dbraw/zinc/43/01/51/349430151.db2.gz CNNTWDTYXTYPSA-GFCCVEGCSA-N 1 2 248.330 1.842 20 30 BDEDLO N#CCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974628 349409965 /nfs/dbraw/zinc/40/99/65/349409965.db2.gz KISZLFJTXSCPPJ-MRVPVSSYSA-N 1 2 204.220 1.256 20 30 BDEDLO N#CCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974628 349409968 /nfs/dbraw/zinc/40/99/68/349409968.db2.gz KISZLFJTXSCPPJ-MRVPVSSYSA-N 1 2 204.220 1.256 20 30 BDEDLO CC[N@@H+](Cc1cc(C)ncn1)C[C@@H](C)C#N ZINC000428423308 191054660 /nfs/dbraw/zinc/05/46/60/191054660.db2.gz OGKNMYPKZYEEBR-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1cc(C)ncn1)C[C@@H](C)C#N ZINC000428423308 191054662 /nfs/dbraw/zinc/05/46/62/191054662.db2.gz OGKNMYPKZYEEBR-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC#Cc1ccccc1 ZINC000365256060 350190566 /nfs/dbraw/zinc/19/05/66/350190566.db2.gz LMVYNDUXMZVBFV-ZDUSSCGKSA-N 1 2 242.322 1.249 20 30 BDEDLO C[C@H]1CC(=O)NCC[N@H+]1CC#Cc1ccccc1 ZINC000365256060 350190569 /nfs/dbraw/zinc/19/05/69/350190569.db2.gz LMVYNDUXMZVBFV-ZDUSSCGKSA-N 1 2 242.322 1.249 20 30 BDEDLO C=CC[C@H](CC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637118712 350205879 /nfs/dbraw/zinc/20/58/79/350205879.db2.gz AVRLWWXBLAXZOH-QWRGUYRKSA-N 1 2 248.330 1.462 20 30 BDEDLO CC#CCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427987582 191104211 /nfs/dbraw/zinc/10/42/11/191104211.db2.gz AUNDIUOASHCZRB-GFCCVEGCSA-N 1 2 245.326 1.508 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000157519612 350495593 /nfs/dbraw/zinc/49/55/93/350495593.db2.gz PHOZCGDCNWBEEA-UHFFFAOYSA-N 1 2 238.331 1.562 20 30 BDEDLO CC#CC[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159322148 191108487 /nfs/dbraw/zinc/10/84/87/191108487.db2.gz FOTGKOVISLRCIV-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO CC#CC[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159322148 191108489 /nfs/dbraw/zinc/10/84/89/191108489.db2.gz FOTGKOVISLRCIV-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000337102618 350553936 /nfs/dbraw/zinc/55/39/36/350553936.db2.gz XGJKOVQDDKOQDL-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000339757774 350817542 /nfs/dbraw/zinc/81/75/42/350817542.db2.gz VMGZOUQCVFRDKA-BETUJISGSA-N 1 2 236.359 1.731 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000339757774 350817545 /nfs/dbraw/zinc/81/75/45/350817545.db2.gz VMGZOUQCVFRDKA-BETUJISGSA-N 1 2 236.359 1.731 20 30 BDEDLO CC#CCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626388141 351024212 /nfs/dbraw/zinc/02/42/12/351024212.db2.gz CNOGZVHXTYGVMV-GFCCVEGCSA-N 1 2 245.326 1.284 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@](C)(O)C(F)(F)F ZINC000336698800 351041779 /nfs/dbraw/zinc/04/17/79/351041779.db2.gz ORLTWKUXWPKMQM-YUMQZZPRSA-N 1 2 224.226 1.391 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@](C)(O)C(F)(F)F ZINC000336698800 351041784 /nfs/dbraw/zinc/04/17/84/351041784.db2.gz ORLTWKUXWPKMQM-YUMQZZPRSA-N 1 2 224.226 1.391 20 30 BDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC#N ZINC000281136629 351877254 /nfs/dbraw/zinc/87/72/54/351877254.db2.gz YXLOFYCILSHNRA-LLVKDONJSA-N 1 2 218.304 1.954 20 30 BDEDLO Cc1ccccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284089323 351991824 /nfs/dbraw/zinc/99/18/24/351991824.db2.gz KVERSJBKPWCQHM-GFCCVEGCSA-N 1 2 234.299 1.963 20 30 BDEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000366667268 352195993 /nfs/dbraw/zinc/19/59/93/352195993.db2.gz VEHPSWKIKDCRHB-SECBINFHSA-N 1 2 206.249 1.510 20 30 BDEDLO N#CCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000366667268 352195995 /nfs/dbraw/zinc/19/59/95/352195995.db2.gz VEHPSWKIKDCRHB-SECBINFHSA-N 1 2 206.249 1.510 20 30 BDEDLO COC(=O)C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411141019 191163356 /nfs/dbraw/zinc/16/33/56/191163356.db2.gz XYKCODJRSLTEKA-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO COC(=O)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411141019 191163358 /nfs/dbraw/zinc/16/33/58/191163358.db2.gz XYKCODJRSLTEKA-UHFFFAOYSA-N 1 2 238.331 1.955 20 30 BDEDLO N#CCC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000411509760 191190291 /nfs/dbraw/zinc/19/02/91/191190291.db2.gz VLXBIGPEJXIZAV-LLVKDONJSA-N 1 2 208.236 1.362 20 30 BDEDLO CON1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425289192 191199569 /nfs/dbraw/zinc/19/95/69/191199569.db2.gz ZAGRKSWSFNRACV-UHFFFAOYSA-N 1 2 246.314 1.121 20 30 BDEDLO CN(C)c1noc([C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000411687174 191203933 /nfs/dbraw/zinc/20/39/33/191203933.db2.gz FOJLZPVWHZOCGL-SNVBAGLBSA-N 1 2 249.318 1.229 20 30 BDEDLO CN(C)c1noc([C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000411687174 191203935 /nfs/dbraw/zinc/20/39/35/191203935.db2.gz FOJLZPVWHZOCGL-SNVBAGLBSA-N 1 2 249.318 1.229 20 30 BDEDLO COc1cc([C@H](C)[NH2+]CCC#N)ccn1 ZINC000411742026 191207607 /nfs/dbraw/zinc/20/76/07/191207607.db2.gz QKNSKCKVKLXVOD-VIFPVBQESA-N 1 2 205.261 1.654 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCCCCn1cc[nH+]c1 ZINC000045109483 352564088 /nfs/dbraw/zinc/56/40/88/352564088.db2.gz NEYNCZUBBNFGSO-NSHDSACASA-N 1 2 234.303 1.329 20 30 BDEDLO C=C(Br)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000307576161 352658976 /nfs/dbraw/zinc/65/89/76/352658976.db2.gz JWPXRSMZOGUXOO-QMMMGPOBSA-N 1 2 247.136 1.105 20 30 BDEDLO C=C(Br)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000307576161 352658977 /nfs/dbraw/zinc/65/89/77/352658977.db2.gz JWPXRSMZOGUXOO-QMMMGPOBSA-N 1 2 247.136 1.105 20 30 BDEDLO C=CC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000079496524 166355365 /nfs/dbraw/zinc/35/53/65/166355365.db2.gz KBLKLKWXFTYELH-JTQLQIEISA-N 1 2 225.361 1.281 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C)nc1 ZINC000336745972 352736331 /nfs/dbraw/zinc/73/63/31/352736331.db2.gz AVUHELNGPLYBOQ-LLVKDONJSA-N 1 2 204.277 1.567 20 30 BDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000330851660 353194084 /nfs/dbraw/zinc/19/40/84/353194084.db2.gz QOVJTDAGGZRJBI-DGCLKSJQSA-N 1 2 243.310 1.907 20 30 BDEDLO CCCn1c(C)nnc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330825018 353183691 /nfs/dbraw/zinc/18/36/91/353183691.db2.gz IGLNZUCFQBASAY-RYUDHWBXSA-N 1 2 247.346 1.778 20 30 BDEDLO CCn1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000331291941 353242475 /nfs/dbraw/zinc/24/24/75/353242475.db2.gz PSYOBFILINRKCP-UHFFFAOYSA-N 1 2 247.302 1.748 20 30 BDEDLO CCn1nc(C)c(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000331291941 353242477 /nfs/dbraw/zinc/24/24/77/353242477.db2.gz PSYOBFILINRKCP-UHFFFAOYSA-N 1 2 247.302 1.748 20 30 BDEDLO C=CC[C@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265273167 188261147 /nfs/dbraw/zinc/26/11/47/188261147.db2.gz GKNMNQWXIBFFLX-QWRGUYRKSA-N 1 2 236.319 1.535 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000270605776 188261796 /nfs/dbraw/zinc/26/17/96/188261796.db2.gz MKWGRCZORXXIPY-LBPRGKRZSA-N 1 2 219.284 1.985 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000270605776 188261798 /nfs/dbraw/zinc/26/17/98/188261798.db2.gz MKWGRCZORXXIPY-LBPRGKRZSA-N 1 2 219.284 1.985 20 30 BDEDLO C#CC[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000270010395 188261958 /nfs/dbraw/zinc/26/19/58/188261958.db2.gz QVOMUPYQYQKDPZ-UHFFFAOYSA-N 1 2 235.356 1.515 20 30 BDEDLO C=CCCCCNC(=O)NCc1[nH+]ccn1C ZINC000274540387 188264824 /nfs/dbraw/zinc/26/48/24/188264824.db2.gz GEIYPLDLSZJGNS-UHFFFAOYSA-N 1 2 236.319 1.576 20 30 BDEDLO C#C[C@H](C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000274791067 188264832 /nfs/dbraw/zinc/26/48/32/188264832.db2.gz YLDJADFUHGLGTB-VIFPVBQESA-N 1 2 233.319 1.495 20 30 BDEDLO C#C[C@H](C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000274791067 188264833 /nfs/dbraw/zinc/26/48/33/188264833.db2.gz YLDJADFUHGLGTB-VIFPVBQESA-N 1 2 233.319 1.495 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000277097667 188266960 /nfs/dbraw/zinc/26/69/60/188266960.db2.gz ZQEDCKYGEPJCNT-UHFFFAOYSA-N 1 2 242.322 1.679 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000277097667 188266963 /nfs/dbraw/zinc/26/69/63/188266963.db2.gz ZQEDCKYGEPJCNT-UHFFFAOYSA-N 1 2 242.322 1.679 20 30 BDEDLO CC#CCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334504475 353354941 /nfs/dbraw/zinc/35/49/41/353354941.db2.gz HZXFZBWCRSCFDE-NXEZZACHSA-N 1 2 232.287 1.211 20 30 BDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)C#N ZINC000130822594 353366844 /nfs/dbraw/zinc/36/68/44/353366844.db2.gz WOSHSBGPIIYALM-UHFFFAOYSA-N 1 2 248.330 1.705 20 30 BDEDLO C=CC[C@H](CC)NC(=O)CCn1cc[nH+]c1 ZINC000281056086 353426496 /nfs/dbraw/zinc/42/64/96/353426496.db2.gz KUYWEVFXTASKTE-NSHDSACASA-N 1 2 221.304 1.744 20 30 BDEDLO C=C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000264447451 188370999 /nfs/dbraw/zinc/37/09/99/188370999.db2.gz HHIBDLOWIWQWCF-UHFFFAOYSA-N 1 2 211.305 1.980 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000281314688 353440903 /nfs/dbraw/zinc/44/09/03/353440903.db2.gz KTNTVRJJSSXLTJ-UHFFFAOYSA-N 1 2 210.281 1.144 20 30 BDEDLO C=CCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000281314688 353440906 /nfs/dbraw/zinc/44/09/06/353440906.db2.gz KTNTVRJJSSXLTJ-UHFFFAOYSA-N 1 2 210.281 1.144 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)c2cc(C#N)cs2)C1 ZINC000296948585 188394705 /nfs/dbraw/zinc/39/47/05/188394705.db2.gz CCQBAHAEDVGMLB-UHFFFAOYSA-N 1 2 249.339 1.442 20 30 BDEDLO C#CCN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000282662481 353481186 /nfs/dbraw/zinc/48/11/86/353481186.db2.gz NYHMTJZLOCYHDV-UHFFFAOYSA-N 1 2 217.272 1.795 20 30 BDEDLO C#CCN(CC#C)Cc1c[nH+]c2ccc(C)cn12 ZINC000093475640 353487108 /nfs/dbraw/zinc/48/71/08/353487108.db2.gz MMUKLXGEWFHZAW-UHFFFAOYSA-N 1 2 237.306 1.711 20 30 BDEDLO CC#CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000283201330 353493234 /nfs/dbraw/zinc/49/32/34/353493234.db2.gz MOELVWLRGTZUAM-VXGBXAGGSA-N 1 2 231.299 1.316 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)C ZINC000281978170 353459515 /nfs/dbraw/zinc/45/95/15/353459515.db2.gz JHNVCVFMGRECKH-GFCCVEGCSA-N 1 2 233.315 1.127 20 30 BDEDLO NC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000191916943 353520820 /nfs/dbraw/zinc/52/08/20/353520820.db2.gz LIIZCFKDQOGWKY-AWEZNQCLSA-N 1 2 242.322 1.378 20 30 BDEDLO NC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000191916943 353520823 /nfs/dbraw/zinc/52/08/23/353520823.db2.gz LIIZCFKDQOGWKY-AWEZNQCLSA-N 1 2 242.322 1.378 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000192228503 353538403 /nfs/dbraw/zinc/53/84/03/353538403.db2.gz XWMKCWYYHRKOQM-LLVKDONJSA-N 1 2 241.294 1.450 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000192228503 353538404 /nfs/dbraw/zinc/53/84/04/353538404.db2.gz XWMKCWYYHRKOQM-LLVKDONJSA-N 1 2 241.294 1.450 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc2n1CCCC2 ZINC000286383097 353560261 /nfs/dbraw/zinc/56/02/61/353560261.db2.gz ZFOYJPKWBHSUHW-UHFFFAOYSA-N 1 2 232.331 1.458 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000286383097 353560263 /nfs/dbraw/zinc/56/02/63/353560263.db2.gz ZFOYJPKWBHSUHW-UHFFFAOYSA-N 1 2 232.331 1.458 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCN(CC)C(=O)C2)cc1 ZINC000290298517 353652847 /nfs/dbraw/zinc/65/28/47/353652847.db2.gz HQRLXWZPJZVLIK-UHFFFAOYSA-N 1 2 242.322 1.332 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCN(CC)C(=O)C2)cc1 ZINC000290298517 353652849 /nfs/dbraw/zinc/65/28/49/353652849.db2.gz HQRLXWZPJZVLIK-UHFFFAOYSA-N 1 2 242.322 1.332 20 30 BDEDLO C#Cc1ccc(C[NH2+][C@@H](C(=O)OC)C2CC2)cc1 ZINC000289939846 353643460 /nfs/dbraw/zinc/64/34/60/353643460.db2.gz ZKEMDFGEOUNVPN-CQSZACIVSA-N 1 2 243.306 1.709 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000292279439 353707993 /nfs/dbraw/zinc/70/79/93/353707993.db2.gz LKSMHJMNIWADJS-NSHDSACASA-N 1 2 236.315 1.711 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000292279439 353707995 /nfs/dbraw/zinc/70/79/95/353707995.db2.gz LKSMHJMNIWADJS-NSHDSACASA-N 1 2 236.315 1.711 20 30 BDEDLO CC#CCC[N@H+](C)Cc1nncn1C(C)C ZINC000292378566 353712175 /nfs/dbraw/zinc/71/21/75/353712175.db2.gz JKZFWRLFKHYGHZ-UHFFFAOYSA-N 1 2 220.320 1.704 20 30 BDEDLO CC#CCC[N@@H+](C)Cc1nncn1C(C)C ZINC000292378566 353712177 /nfs/dbraw/zinc/71/21/77/353712177.db2.gz JKZFWRLFKHYGHZ-UHFFFAOYSA-N 1 2 220.320 1.704 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1nccn1C(F)F ZINC000293661796 353760481 /nfs/dbraw/zinc/76/04/81/353760481.db2.gz YSOSAOBLNBTNRA-UHFFFAOYSA-N 1 2 245.273 1.913 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1nccn1C(F)F ZINC000293661796 353760483 /nfs/dbraw/zinc/76/04/83/353760483.db2.gz YSOSAOBLNBTNRA-UHFFFAOYSA-N 1 2 245.273 1.913 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(OC)ccc1F ZINC000295343585 353804516 /nfs/dbraw/zinc/80/45/16/353804516.db2.gz MXBJLJBFEGCZFE-UHFFFAOYSA-N 1 2 231.270 1.903 20 30 BDEDLO CN(Cc1[nH+]ccn1C)CC1(C#N)CC1 ZINC000343622608 353947106 /nfs/dbraw/zinc/94/71/06/353947106.db2.gz IIVMCNNZVXGZJD-UHFFFAOYSA-N 1 2 204.277 1.156 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343624246 353947423 /nfs/dbraw/zinc/94/74/23/353947423.db2.gz JQKPEBHBNHAQPD-ZYHUDNBSSA-N 1 2 246.314 1.110 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000343770040 353983175 /nfs/dbraw/zinc/98/31/75/353983175.db2.gz MEQLLOFCPPYSDQ-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000301017676 363296498 /nfs/dbraw/zinc/29/64/98/363296498.db2.gz IKTIXBWNZLELJH-GARJFASQSA-N 1 2 211.305 1.882 20 30 BDEDLO CC#CCCCC(=O)Nc1cc[nH+]cc1O ZINC000344086840 354137124 /nfs/dbraw/zinc/13/71/24/354137124.db2.gz PBCZPNGHHBWKRJ-UHFFFAOYSA-N 1 2 218.256 1.341 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000344543641 354312347 /nfs/dbraw/zinc/31/23/47/354312347.db2.gz GFSWEMFSGRHCGC-LLVKDONJSA-N 1 2 233.315 1.528 20 30 BDEDLO N#Cc1ccc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000362958458 181100055 /nfs/dbraw/zinc/10/00/55/181100055.db2.gz PPAGWUQRIZUGRA-UHFFFAOYSA-N 1 2 246.295 1.246 20 30 BDEDLO N#Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070990334 181100402 /nfs/dbraw/zinc/10/04/02/181100402.db2.gz FZNMXNPZGHQJBO-UHFFFAOYSA-N 1 2 226.239 1.211 20 30 BDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000331949186 134003013 /nfs/dbraw/zinc/00/30/13/134003013.db2.gz KGQBRITZRBJFNV-RYUDHWBXSA-N 1 2 238.331 1.152 20 30 BDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000331949186 134003014 /nfs/dbraw/zinc/00/30/14/134003014.db2.gz KGQBRITZRBJFNV-RYUDHWBXSA-N 1 2 238.331 1.152 20 30 BDEDLO N#Cc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000109889921 181101667 /nfs/dbraw/zinc/10/16/67/181101667.db2.gz BVWZNUIBJRTQSS-UHFFFAOYSA-N 1 2 239.234 1.911 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)s1 ZINC000336250770 181105691 /nfs/dbraw/zinc/10/56/91/181105691.db2.gz NVSGCHCWMOXMAV-NSHDSACASA-N 1 2 240.303 1.526 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)s1 ZINC000336250770 181105694 /nfs/dbraw/zinc/10/56/94/181105694.db2.gz NVSGCHCWMOXMAV-NSHDSACASA-N 1 2 240.303 1.526 20 30 BDEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368338353 181127693 /nfs/dbraw/zinc/12/76/93/181127693.db2.gz UPMIODBVYSNPSR-KGLIPLIRSA-N 1 2 244.294 1.410 20 30 BDEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368338353 181127695 /nfs/dbraw/zinc/12/76/95/181127695.db2.gz UPMIODBVYSNPSR-KGLIPLIRSA-N 1 2 244.294 1.410 20 30 BDEDLO CC(C)(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334650233 354442233 /nfs/dbraw/zinc/44/22/33/354442233.db2.gz GDFCHJBHLAHYOA-UHFFFAOYSA-N 1 2 232.287 1.708 20 30 BDEDLO COCCC1(C)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000345476130 354663887 /nfs/dbraw/zinc/66/38/87/354663887.db2.gz GEXLVGCBLBCDLB-LBPRGKRZSA-N 1 2 235.331 1.788 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000345726636 354745117 /nfs/dbraw/zinc/74/51/17/354745117.db2.gz JOTFTRDVDOOBJZ-JTQLQIEISA-N 1 2 226.320 1.810 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000345726636 354745119 /nfs/dbraw/zinc/74/51/19/354745119.db2.gz JOTFTRDVDOOBJZ-JTQLQIEISA-N 1 2 226.320 1.810 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCO[C@@H](CC)C1 ZINC000301044559 363373925 /nfs/dbraw/zinc/37/39/25/363373925.db2.gz MQOGHXLULNFEAM-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000301044559 363373927 /nfs/dbraw/zinc/37/39/27/363373927.db2.gz MQOGHXLULNFEAM-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C(C)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345916727 354824920 /nfs/dbraw/zinc/82/49/20/354824920.db2.gz IXAUHINMGYGNPA-NSHDSACASA-N 1 2 248.330 1.747 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)[nH+]cn1 ZINC000435602275 191321206 /nfs/dbraw/zinc/32/12/06/191321206.db2.gz CEPVKSMLZWZIBZ-YPMHNXCESA-N 1 2 233.315 1.600 20 30 BDEDLO C[C@@]12CC[N@H+](CCC#N)C[C@@H]1C2(F)F ZINC000335810401 355485007 /nfs/dbraw/zinc/48/50/07/355485007.db2.gz VAKCIMVRLJTDAT-DTWKUNHWSA-N 1 2 200.232 1.877 20 30 BDEDLO C[C@@]12CC[N@@H+](CCC#N)C[C@@H]1C2(F)F ZINC000335810401 355485009 /nfs/dbraw/zinc/48/50/09/355485009.db2.gz VAKCIMVRLJTDAT-DTWKUNHWSA-N 1 2 200.232 1.877 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260639 356119444 /nfs/dbraw/zinc/11/94/44/356119444.db2.gz LNIGVYFOYMIXGJ-GWCFXTLKSA-N 1 2 233.315 1.526 20 30 BDEDLO CC#CCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261389 356150779 /nfs/dbraw/zinc/15/07/79/356150779.db2.gz PEABGLFFZGSWJF-LLVKDONJSA-N 1 2 231.299 1.118 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000330248605 356192059 /nfs/dbraw/zinc/19/20/59/356192059.db2.gz MIMWUWTVAVLRNN-NXEZZACHSA-N 1 2 235.287 1.333 20 30 BDEDLO C[C@@H]1C[N@H+](CCCCC#N)CC[S@]1=O ZINC000351913548 356197214 /nfs/dbraw/zinc/19/72/14/356197214.db2.gz UGFYNCRBUWOAPV-QMTHXVAHSA-N 1 2 214.334 1.133 20 30 BDEDLO C[C@@H]1C[N@@H+](CCCCC#N)CC[S@]1=O ZINC000351913548 356197217 /nfs/dbraw/zinc/19/72/17/356197217.db2.gz UGFYNCRBUWOAPV-QMTHXVAHSA-N 1 2 214.334 1.133 20 30 BDEDLO COCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330315105 356204984 /nfs/dbraw/zinc/20/49/84/356204984.db2.gz PKIXWINIJXVRCU-JTQLQIEISA-N 1 2 249.314 1.581 20 30 BDEDLO C=C[C@H](C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336352144 356346164 /nfs/dbraw/zinc/34/61/64/356346164.db2.gz NWBWJNLJSGJNML-QWRGUYRKSA-N 1 2 248.330 1.494 20 30 BDEDLO C=CC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000617779412 356351214 /nfs/dbraw/zinc/35/12/14/356351214.db2.gz ADERJBKSPPXJPO-LBPRGKRZSA-N 1 2 247.342 1.777 20 30 BDEDLO C=CCNC(=O)C[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420955771 192279148 /nfs/dbraw/zinc/27/91/48/192279148.db2.gz MEJBXPDCPZZABQ-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303176 356580750 /nfs/dbraw/zinc/58/07/50/356580750.db2.gz WWVFMLMENVWSTC-FZMZJTMJSA-N 1 2 247.342 1.916 20 30 BDEDLO CC[C@H](C#N)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000387195937 363538479 /nfs/dbraw/zinc/53/84/79/363538479.db2.gz NJFHRQGUXUVXTE-SECBINFHSA-N 1 2 232.287 1.636 20 30 BDEDLO C=CC[NH+](CC=C)C[C@@H](C)S(C)(=O)=O ZINC000450252826 202109240 /nfs/dbraw/zinc/10/92/40/202109240.db2.gz KCZUBHUGEQBTAA-SNVBAGLBSA-N 1 2 217.334 1.094 20 30 BDEDLO Cc1cc(C[NH+]2CC(O)(CC#N)C2)c(C)s1 ZINC000336414069 134146580 /nfs/dbraw/zinc/14/65/80/134146580.db2.gz OXPGXRQCXPSEFK-UHFFFAOYSA-N 1 2 236.340 1.825 20 30 BDEDLO N#CCC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000336559671 134149547 /nfs/dbraw/zinc/14/95/47/134149547.db2.gz LASZPYRKEQBWIO-NEPJUHHUSA-N 1 2 220.316 1.934 20 30 BDEDLO N#CCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000336559671 134149548 /nfs/dbraw/zinc/14/95/48/134149548.db2.gz LASZPYRKEQBWIO-NEPJUHHUSA-N 1 2 220.316 1.934 20 30 BDEDLO N#CCN(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000352734836 134151921 /nfs/dbraw/zinc/15/19/21/134151921.db2.gz DCMUOUAZBLEHBH-UHFFFAOYSA-N 1 2 226.283 1.822 20 30 BDEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906184 366364258 /nfs/dbraw/zinc/36/42/58/366364258.db2.gz WKDAMJIEMZFKNX-OKILXGFUSA-N 1 2 228.295 1.921 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906184 366364269 /nfs/dbraw/zinc/36/42/69/366364269.db2.gz WKDAMJIEMZFKNX-OKILXGFUSA-N 1 2 228.295 1.921 20 30 BDEDLO CC#CC[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000639772097 356711537 /nfs/dbraw/zinc/71/15/37/356711537.db2.gz NBZOODGRKZZLFP-NSHDSACASA-N 1 2 235.331 1.093 20 30 BDEDLO Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)c(C#N)c[nH+]1 ZINC000583689737 357120980 /nfs/dbraw/zinc/12/09/80/357120980.db2.gz RHJRPXGLPKYAPX-YUTCNCBUSA-N 1 2 243.310 1.663 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583697265 357271908 /nfs/dbraw/zinc/27/19/08/357271908.db2.gz ZFHGEHBAZWMVML-UTUOFQBUSA-N 1 2 249.314 1.294 20 30 BDEDLO C=CCN(CCOC)c1cc[nH+]c(C)n1 ZINC000189639330 357650788 /nfs/dbraw/zinc/65/07/88/357650788.db2.gz QFPDGHULOIKZCD-UHFFFAOYSA-N 1 2 207.277 1.424 20 30 BDEDLO C=C[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000362396995 134210918 /nfs/dbraw/zinc/21/09/18/134210918.db2.gz GQROSULDPSFAPZ-JTQLQIEISA-N 1 2 222.292 1.147 20 30 BDEDLO CCN(CC[N@@H+]1CCO[C@H](C)C1)C[C@@H](C)C#N ZINC000191467685 357772118 /nfs/dbraw/zinc/77/21/18/357772118.db2.gz PMSUJROQYFPGJX-QWHCGFSZSA-N 1 2 239.363 1.189 20 30 BDEDLO CCN(CC[N@H+]1CCO[C@H](C)C1)C[C@@H](C)C#N ZINC000191467685 357772122 /nfs/dbraw/zinc/77/21/22/357772122.db2.gz PMSUJROQYFPGJX-QWHCGFSZSA-N 1 2 239.363 1.189 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccnn1C ZINC000191756522 357794210 /nfs/dbraw/zinc/79/42/10/357794210.db2.gz IXGYSLLRJHTCLL-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccnn1C ZINC000191756522 357794213 /nfs/dbraw/zinc/79/42/13/357794213.db2.gz IXGYSLLRJHTCLL-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C[N@H+](CC#Cc1ccccc1)Cc1cnccn1 ZINC000192060094 357816214 /nfs/dbraw/zinc/81/62/14/357816214.db2.gz UEPOLAWIQUGUQN-UHFFFAOYSA-N 1 2 237.306 1.960 20 30 BDEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cnccn1 ZINC000192060094 357816218 /nfs/dbraw/zinc/81/62/18/357816218.db2.gz UEPOLAWIQUGUQN-UHFFFAOYSA-N 1 2 237.306 1.960 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192167567 357825316 /nfs/dbraw/zinc/82/53/16/357825316.db2.gz VOZITHDKYUIQSN-VIFPVBQESA-N 1 2 221.308 1.577 20 30 BDEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192167567 357825319 /nfs/dbraw/zinc/82/53/19/357825319.db2.gz VOZITHDKYUIQSN-VIFPVBQESA-N 1 2 221.308 1.577 20 30 BDEDLO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(=O)OC ZINC000399031987 357893549 /nfs/dbraw/zinc/89/35/49/357893549.db2.gz MBZRHDRVILPGJZ-ZDUSSCGKSA-N 1 2 246.310 1.794 20 30 BDEDLO COCC[N@@H+](CCC#N)CCOCC1CC1 ZINC000610391642 357908074 /nfs/dbraw/zinc/90/80/74/357908074.db2.gz BIIVUVTWMHHHNU-UHFFFAOYSA-N 1 2 226.320 1.275 20 30 BDEDLO COCC[N@H+](CCC#N)CCOCC1CC1 ZINC000610391642 357908077 /nfs/dbraw/zinc/90/80/77/357908077.db2.gz BIIVUVTWMHHHNU-UHFFFAOYSA-N 1 2 226.320 1.275 20 30 BDEDLO C[C@@H]1C[N@H+](CCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000610410061 357917560 /nfs/dbraw/zinc/91/75/60/357917560.db2.gz GCOPVBLIQFOVMP-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@@H]1C[N@@H+](CCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000610410061 357917564 /nfs/dbraw/zinc/91/75/64/357917564.db2.gz GCOPVBLIQFOVMP-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@@H](C#N)CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000610489028 357953621 /nfs/dbraw/zinc/95/36/21/357953621.db2.gz GEOVTYDDCFRVDC-VIFPVBQESA-N 1 2 228.259 1.234 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000305737210 134242418 /nfs/dbraw/zinc/24/24/18/134242418.db2.gz QDCZKAYVBYPJOR-LLVKDONJSA-N 1 2 241.331 1.389 20 30 BDEDLO CCN(CCC#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610685209 358069182 /nfs/dbraw/zinc/06/91/82/358069182.db2.gz PJOWDVPPXPWATL-UHFFFAOYSA-N 1 2 242.286 1.402 20 30 BDEDLO CN(CCC#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610684996 358069008 /nfs/dbraw/zinc/06/90/08/358069008.db2.gz SJCWMKPTMSDUPD-UHFFFAOYSA-N 1 2 228.259 1.012 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351642770 358214805 /nfs/dbraw/zinc/21/48/05/358214805.db2.gz GXAGIBDBQPUDAC-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351642770 358214807 /nfs/dbraw/zinc/21/48/07/358214807.db2.gz GXAGIBDBQPUDAC-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000450753273 202255343 /nfs/dbraw/zinc/25/53/43/202255343.db2.gz FGDCJRRLCDYDIU-RQJHMYQMSA-N 1 2 240.694 1.468 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000450753273 202255345 /nfs/dbraw/zinc/25/53/45/202255345.db2.gz FGDCJRRLCDYDIU-RQJHMYQMSA-N 1 2 240.694 1.468 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231643370 358417700 /nfs/dbraw/zinc/41/77/00/358417700.db2.gz BSRPLKPFFBGIEB-SECBINFHSA-N 1 2 245.282 1.267 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000610992989 358424919 /nfs/dbraw/zinc/42/49/19/358424919.db2.gz XWRWYYVDLZWUHT-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000610992989 358424922 /nfs/dbraw/zinc/42/49/22/358424922.db2.gz XWRWYYVDLZWUHT-SMDDNHRTSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[N@@H+](CC(=O)N1CCCC1)C[C@@H](C)C#N ZINC000042449589 358523485 /nfs/dbraw/zinc/52/34/85/358523485.db2.gz OHWAEMFBEGOSGG-NSHDSACASA-N 1 2 223.320 1.090 20 30 BDEDLO CC[N@H+](CC(=O)N1CCCC1)C[C@@H](C)C#N ZINC000042449589 358523489 /nfs/dbraw/zinc/52/34/89/358523489.db2.gz OHWAEMFBEGOSGG-NSHDSACASA-N 1 2 223.320 1.090 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCOCC12CCC2 ZINC000135537244 358843592 /nfs/dbraw/zinc/84/35/92/358843592.db2.gz PLYCMXOBWTXSBM-UHFFFAOYSA-N 1 2 201.697 1.994 20 30 BDEDLO 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366949219 /nfs/dbraw/zinc/94/92/19/366949219.db2.gz CISQOSYAVTWJFV-LLVKDONJSA-N 1 2 249.318 1.074 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)OC)C1CC1 ZINC000362050209 366960334 /nfs/dbraw/zinc/96/03/34/366960334.db2.gz NCZGAFPGFXLTNP-LLVKDONJSA-N 1 2 227.304 1.072 20 30 BDEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)OC)C1CC1 ZINC000362050209 366960338 /nfs/dbraw/zinc/96/03/38/366960338.db2.gz NCZGAFPGFXLTNP-LLVKDONJSA-N 1 2 227.304 1.072 20 30 BDEDLO C=CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565068105 325853921 /nfs/dbraw/zinc/85/39/21/325853921.db2.gz ALROXBSRHCOLOI-WDEREUQCSA-N 1 2 221.304 1.915 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000068614870 370821178 /nfs/dbraw/zinc/82/11/78/370821178.db2.gz ZVLZYFPUGVWHHF-VIFPVBQESA-N 1 2 235.262 1.656 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCn3ccnc3C2)ccn1 ZINC000068766764 370845396 /nfs/dbraw/zinc/84/53/96/370845396.db2.gz MQLMZLKNAUBLKX-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCn3ccnc3C2)ccn1 ZINC000068766764 370845401 /nfs/dbraw/zinc/84/54/01/370845401.db2.gz MQLMZLKNAUBLKX-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO CCC[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581583410 367608643 /nfs/dbraw/zinc/60/86/43/367608643.db2.gz IDDOELWSCGSANU-PWSUYJOCSA-N 1 2 225.336 1.383 20 30 BDEDLO N#C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000386098832 367912719 /nfs/dbraw/zinc/91/27/19/367912719.db2.gz JIUXRFHLPBWOPE-GFCCVEGCSA-N 1 2 246.314 1.472 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000615637154 368130612 /nfs/dbraw/zinc/13/06/12/368130612.db2.gz FLKUVOQYTAQAPV-WDEREUQCSA-N 1 2 212.268 1.351 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000615637154 368130616 /nfs/dbraw/zinc/13/06/16/368130616.db2.gz FLKUVOQYTAQAPV-WDEREUQCSA-N 1 2 212.268 1.351 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000615800492 368322083 /nfs/dbraw/zinc/32/20/83/368322083.db2.gz TYORNHYPJDJHKT-QWRGUYRKSA-N 1 2 212.268 1.493 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000615800492 368322087 /nfs/dbraw/zinc/32/20/87/368322087.db2.gz TYORNHYPJDJHKT-QWRGUYRKSA-N 1 2 212.268 1.493 20 30 BDEDLO COCC[N@@H+](CCC#N)CCOCC(F)F ZINC000615787900 368304462 /nfs/dbraw/zinc/30/44/62/368304462.db2.gz KUNOEVPNZJOCAF-UHFFFAOYSA-N 1 2 236.262 1.130 20 30 BDEDLO COCC[N@H+](CCC#N)CCOCC(F)F ZINC000615787900 368304464 /nfs/dbraw/zinc/30/44/64/368304464.db2.gz KUNOEVPNZJOCAF-UHFFFAOYSA-N 1 2 236.262 1.130 20 30 BDEDLO N#CCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064402337 368606160 /nfs/dbraw/zinc/60/61/60/368606160.db2.gz YGRBITPMYBCPGJ-UHFFFAOYSA-N 1 2 236.344 1.569 20 30 BDEDLO N#CCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000064402337 368606167 /nfs/dbraw/zinc/60/61/67/368606167.db2.gz YGRBITPMYBCPGJ-UHFFFAOYSA-N 1 2 236.344 1.569 20 30 BDEDLO C#CC[NH+](CC#C)CC#Cc1ccc(F)cc1 ZINC000154183700 326134392 /nfs/dbraw/zinc/13/43/92/326134392.db2.gz RMOWBFBJTRAHPV-UHFFFAOYSA-N 1 2 225.266 1.746 20 30 BDEDLO C=C(C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000457388074 203052629 /nfs/dbraw/zinc/05/26/29/203052629.db2.gz PHQJRQCTPLMRPI-UHFFFAOYSA-N 1 2 236.319 1.539 20 30 BDEDLO CC(C)C(=O)N1CCC[N@H+](CCC#N)CC1 ZINC000069608978 368755923 /nfs/dbraw/zinc/75/59/23/368755923.db2.gz QTLANSVZGLSVGY-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO CC(C)C(=O)N1CCC[N@@H+](CCC#N)CC1 ZINC000069608978 368755926 /nfs/dbraw/zinc/75/59/26/368755926.db2.gz QTLANSVZGLSVGY-UHFFFAOYSA-N 1 2 223.320 1.090 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc2ccccc2n1 ZINC000054181121 369060984 /nfs/dbraw/zinc/06/09/84/369060984.db2.gz XVHDWNXIYSPKBR-JTQLQIEISA-N 1 2 226.283 1.879 20 30 BDEDLO C=CCC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459554225 203298381 /nfs/dbraw/zinc/29/83/81/203298381.db2.gz DHDWOHGCMRJNAY-NSHDSACASA-N 1 2 215.293 1.120 20 30 BDEDLO CC[N@@H+](Cc1nc(C#N)cs1)C[C@@H](C)O ZINC000356337112 369359930 /nfs/dbraw/zinc/35/99/30/369359930.db2.gz GHDYYQDAHAZIED-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO CC[N@H+](Cc1nc(C#N)cs1)C[C@@H](C)O ZINC000356337112 369359932 /nfs/dbraw/zinc/35/99/32/369359932.db2.gz GHDYYQDAHAZIED-MRVPVSSYSA-N 1 2 225.317 1.217 20 30 BDEDLO Cn1ccc(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000405124080 369446522 /nfs/dbraw/zinc/44/65/22/369446522.db2.gz KDPVODIGOGNCNF-UHFFFAOYSA-N 1 2 218.304 1.594 20 30 BDEDLO COC[C@@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405056436 369442377 /nfs/dbraw/zinc/44/23/77/369442377.db2.gz NGYURPYMXXIRCF-SNVBAGLBSA-N 1 2 216.284 1.909 20 30 BDEDLO COC[C@@H](C)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405056436 369442383 /nfs/dbraw/zinc/44/23/83/369442383.db2.gz NGYURPYMXXIRCF-SNVBAGLBSA-N 1 2 216.284 1.909 20 30 BDEDLO C=C[C@H]([NH2+]CCC[C@H]1CCCCO1)C(=O)OC ZINC000619703569 369536554 /nfs/dbraw/zinc/53/65/54/369536554.db2.gz NIZPQBOIQPJVQC-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000619717804 369547490 /nfs/dbraw/zinc/54/74/90/369547490.db2.gz LWAJTTQNDCJCGK-GHMZBOCLSA-N 1 2 235.283 1.797 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000619717804 369547493 /nfs/dbraw/zinc/54/74/93/369547493.db2.gz LWAJTTQNDCJCGK-GHMZBOCLSA-N 1 2 235.283 1.797 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000619719825 369549699 /nfs/dbraw/zinc/54/96/99/369549699.db2.gz FZTGDFLYPILKBJ-SFYZADRCSA-N 1 2 219.231 1.301 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000619719825 369549705 /nfs/dbraw/zinc/54/97/05/369549705.db2.gz FZTGDFLYPILKBJ-SFYZADRCSA-N 1 2 219.231 1.301 20 30 BDEDLO N#Cc1cccc(CN2CCn3cc[nH+]c3C2)n1 ZINC000602455401 369789849 /nfs/dbraw/zinc/78/98/49/369789849.db2.gz RYDFBRGGNMUBGT-UHFFFAOYSA-N 1 2 239.282 1.166 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602453399 369791968 /nfs/dbraw/zinc/79/19/68/369791968.db2.gz JADJFZWNQKVUDA-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602453399 369791970 /nfs/dbraw/zinc/79/19/70/369791970.db2.gz JADJFZWNQKVUDA-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC000602476344 369793491 /nfs/dbraw/zinc/79/34/91/369793491.db2.gz NVJFUXINLGMYQO-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC000602476344 369793494 /nfs/dbraw/zinc/79/34/94/369793494.db2.gz NVJFUXINLGMYQO-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO CC#CCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603869 369951997 /nfs/dbraw/zinc/95/19/97/369951997.db2.gz MGTPBVGGUSTKES-LLVKDONJSA-N 1 2 233.315 1.791 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620608307 369956737 /nfs/dbraw/zinc/95/67/37/369956737.db2.gz NOASYTUIAHYSNU-AXFHLTTASA-N 1 2 249.314 1.188 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000092099900 371079213 /nfs/dbraw/zinc/07/92/13/371079213.db2.gz TXNJEAAMPRZAJH-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000092099900 371079218 /nfs/dbraw/zinc/07/92/18/371079218.db2.gz TXNJEAAMPRZAJH-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO C#CCOCSc1nc(N)cc(C)[nH+]1 ZINC000292668545 326415789 /nfs/dbraw/zinc/41/57/89/326415789.db2.gz NWUFKHVIEBUINH-UHFFFAOYSA-N 1 2 209.274 1.067 20 30 BDEDLO CN(C)C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000162518203 371703202 /nfs/dbraw/zinc/70/32/02/371703202.db2.gz BRCKRCKZJDNSRK-UHFFFAOYSA-N 1 2 237.328 1.140 20 30 BDEDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000162518203 371703205 /nfs/dbraw/zinc/70/32/05/371703205.db2.gz BRCKRCKZJDNSRK-UHFFFAOYSA-N 1 2 237.328 1.140 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000631996864 372716719 /nfs/dbraw/zinc/71/67/19/372716719.db2.gz MZRMIZYCENOHON-SNVBAGLBSA-N 1 2 245.326 1.740 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000631996864 372716725 /nfs/dbraw/zinc/71/67/25/372716725.db2.gz MZRMIZYCENOHON-SNVBAGLBSA-N 1 2 245.326 1.740 20 30 BDEDLO C[C@H](C#N)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171847428 372795661 /nfs/dbraw/zinc/79/56/61/372795661.db2.gz QKEXDOSSNCUGPI-SECBINFHSA-N 1 2 228.255 1.224 20 30 BDEDLO C=C(CC)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633287752 373450639 /nfs/dbraw/zinc/45/06/39/373450639.db2.gz YKMVOZZBOHXBSJ-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CCC#N)c1csnn1 ZINC000522006721 259582104 /nfs/dbraw/zinc/58/21/04/259582104.db2.gz UPEOJYXAPGLEKN-JGVFFNPUSA-N 1 2 210.306 1.881 20 30 BDEDLO C=C(C)CN(C)c1nc[nH+]c(N)c1Cl ZINC000234293050 384124179 /nfs/dbraw/zinc/12/41/79/384124179.db2.gz VDWNQMJARIVVSY-UHFFFAOYSA-N 1 2 212.684 1.725 20 30 BDEDLO C=C(C)CN(C)c1[nH+]cnc(N)c1Cl ZINC000234293050 384124182 /nfs/dbraw/zinc/12/41/82/384124182.db2.gz VDWNQMJARIVVSY-UHFFFAOYSA-N 1 2 212.684 1.725 20 30 BDEDLO Cc1cccc(C[N@@H+](C)C[C@@H](C)C#N)n1 ZINC000080121241 384160655 /nfs/dbraw/zinc/16/06/55/384160655.db2.gz ZDSXPYLTJZJXBS-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cccc(C[N@H+](C)C[C@@H](C)C#N)n1 ZINC000080121241 384160659 /nfs/dbraw/zinc/16/06/59/384160659.db2.gz ZDSXPYLTJZJXBS-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO N#CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000080214985 384161731 /nfs/dbraw/zinc/16/17/31/384161731.db2.gz HCPDJDPCSCTBJB-LBPRGKRZSA-N 1 2 208.305 1.934 20 30 BDEDLO N#CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000080214985 384161734 /nfs/dbraw/zinc/16/17/34/384161734.db2.gz HCPDJDPCSCTBJB-LBPRGKRZSA-N 1 2 208.305 1.934 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114126314 384276499 /nfs/dbraw/zinc/27/64/99/384276499.db2.gz WJDAWXJHOSZIIN-SECBINFHSA-N 1 2 223.276 1.007 20 30 BDEDLO CO[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000335402619 384279880 /nfs/dbraw/zinc/27/98/80/384279880.db2.gz DYXXNMYIGWGXLY-NSHDSACASA-N 1 2 234.274 1.918 20 30 BDEDLO CO[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000335402619 384279889 /nfs/dbraw/zinc/27/98/89/384279889.db2.gz DYXXNMYIGWGXLY-NSHDSACASA-N 1 2 234.274 1.918 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000335461877 384293888 /nfs/dbraw/zinc/29/38/88/384293888.db2.gz RLSVSPQQRZTERU-ONGXEEELSA-N 1 2 204.277 1.500 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000362339787 533053917 /nfs/dbraw/zinc/05/39/17/533053917.db2.gz IIRHJISLQVWXAT-CYBMUJFWSA-N 1 2 247.342 1.434 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000362339787 533053919 /nfs/dbraw/zinc/05/39/19/533053919.db2.gz IIRHJISLQVWXAT-CYBMUJFWSA-N 1 2 247.342 1.434 20 30 BDEDLO NC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000178684493 384346817 /nfs/dbraw/zinc/34/68/17/384346817.db2.gz BLRDBYPEFURPPP-ZDUSSCGKSA-N 1 2 246.285 1.127 20 30 BDEDLO NC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000178684493 384346819 /nfs/dbraw/zinc/34/68/19/384346819.db2.gz BLRDBYPEFURPPP-ZDUSSCGKSA-N 1 2 246.285 1.127 20 30 BDEDLO C=CC[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000121292152 384409130 /nfs/dbraw/zinc/40/91/30/384409130.db2.gz SEXLHFYQFKDFRQ-UHFFFAOYSA-N 1 2 206.293 1.539 20 30 BDEDLO C=CC[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000121292152 384409140 /nfs/dbraw/zinc/40/91/40/384409140.db2.gz SEXLHFYQFKDFRQ-UHFFFAOYSA-N 1 2 206.293 1.539 20 30 BDEDLO CC(C)CNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000227354368 384415152 /nfs/dbraw/zinc/41/51/52/384415152.db2.gz XRRAFPNLJPRDKT-UHFFFAOYSA-N 1 2 237.347 1.384 20 30 BDEDLO C#CC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150846855 384512689 /nfs/dbraw/zinc/51/26/89/384512689.db2.gz PHNGKRMAVBODAS-NSHDSACASA-N 1 2 226.283 1.551 20 30 BDEDLO C#C[C@@H]1COCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000491381360 384605639 /nfs/dbraw/zinc/60/56/39/384605639.db2.gz DIGMITCGUBXLRI-SNVBAGLBSA-N 1 2 242.282 1.105 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000491382046 384614325 /nfs/dbraw/zinc/61/43/25/384614325.db2.gz HILULLSKCWKFSK-CMPLNLGQSA-N 1 2 233.315 1.362 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000491382046 384614331 /nfs/dbraw/zinc/61/43/31/384614331.db2.gz HILULLSKCWKFSK-CMPLNLGQSA-N 1 2 233.315 1.362 20 30 BDEDLO C#CC[N@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000491392335 384675960 /nfs/dbraw/zinc/67/59/60/384675960.db2.gz BTBJVWMWQMLNAN-UHFFFAOYSA-N 1 2 243.266 1.927 20 30 BDEDLO C#CC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000491392335 384675964 /nfs/dbraw/zinc/67/59/64/384675964.db2.gz BTBJVWMWQMLNAN-UHFFFAOYSA-N 1 2 243.266 1.927 20 30 BDEDLO C#CC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000051964359 384705434 /nfs/dbraw/zinc/70/54/34/384705434.db2.gz BDJZQCJKRVTISL-UHFFFAOYSA-N 1 2 223.316 1.721 20 30 BDEDLO CNC(=O)c1cccc(C[N@H+](C)CCC#N)c1 ZINC000083217881 384752877 /nfs/dbraw/zinc/75/28/77/384752877.db2.gz VALRQLFJAOMLBM-UHFFFAOYSA-N 1 2 231.299 1.392 20 30 BDEDLO CNC(=O)c1cccc(C[N@@H+](C)CCC#N)c1 ZINC000083217881 384752882 /nfs/dbraw/zinc/75/28/82/384752882.db2.gz VALRQLFJAOMLBM-UHFFFAOYSA-N 1 2 231.299 1.392 20 30 BDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccon1 ZINC000174222481 384766975 /nfs/dbraw/zinc/76/69/75/384766975.db2.gz UAISLKXZSBSLDB-SECBINFHSA-N 1 2 241.291 1.525 20 30 BDEDLO C=CCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106304739 384906759 /nfs/dbraw/zinc/90/67/59/384906759.db2.gz OBWGKRJOZQPAPJ-UHFFFAOYSA-N 1 2 216.284 1.304 20 30 BDEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC1(C#N)CC1 ZINC000408350824 384991079 /nfs/dbraw/zinc/99/10/79/384991079.db2.gz AATSNOCZWGJQDR-GFCCVEGCSA-N 1 2 235.331 1.281 20 30 BDEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC1(C#N)CC1 ZINC000408350824 384991083 /nfs/dbraw/zinc/99/10/83/384991083.db2.gz AATSNOCZWGJQDR-GFCCVEGCSA-N 1 2 235.331 1.281 20 30 BDEDLO C=CCNC(=O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000302070280 384963674 /nfs/dbraw/zinc/96/36/74/384963674.db2.gz VMSPJLVRQRVBQQ-UHFFFAOYSA-N 1 2 248.330 1.623 20 30 BDEDLO C=CC[NH+](CC=C)CCS(=O)(=O)CC ZINC000118400002 385053474 /nfs/dbraw/zinc/05/34/74/385053474.db2.gz YULZPHFIGXNPAJ-UHFFFAOYSA-N 1 2 217.334 1.095 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000491542771 385124305 /nfs/dbraw/zinc/12/43/05/385124305.db2.gz BWXGMONAUWHEAU-BETUJISGSA-N 1 2 248.370 1.874 20 30 BDEDLO C#CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000491542771 385124313 /nfs/dbraw/zinc/12/43/13/385124313.db2.gz BWXGMONAUWHEAU-BETUJISGSA-N 1 2 248.370 1.874 20 30 BDEDLO CCOC(=O)[C@H](CC)[NH+]1CCC(C)(C#N)CC1 ZINC000227353255 385131811 /nfs/dbraw/zinc/13/18/11/385131811.db2.gz BWKSPMNVKBFDAS-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000491625842 385222903 /nfs/dbraw/zinc/22/29/03/385222903.db2.gz RXRPYPRUEKCFDE-ZDUSSCGKSA-N 1 2 244.338 1.993 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000491625842 385222909 /nfs/dbraw/zinc/22/29/09/385222909.db2.gz RXRPYPRUEKCFDE-ZDUSSCGKSA-N 1 2 244.338 1.993 20 30 BDEDLO CC#CC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178277427 385225014 /nfs/dbraw/zinc/22/50/14/385225014.db2.gz VKXRYEPJIDYSHP-JTQLQIEISA-N 1 2 234.265 1.578 20 30 BDEDLO C#CCN(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302787335 533115606 /nfs/dbraw/zinc/11/56/06/533115606.db2.gz WZAFIWJYDMHUJZ-UHFFFAOYSA-N 1 2 243.314 1.651 20 30 BDEDLO CCOC(=O)[C@@H]([NH2+]CCCC#N)[C@H](C)CC ZINC000181649813 385412043 /nfs/dbraw/zinc/41/20/43/385412043.db2.gz ADMYXSPPDVKVRZ-MNOVXSKESA-N 1 2 226.320 1.858 20 30 BDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1CC1 ZINC000109812720 385488069 /nfs/dbraw/zinc/48/80/69/385488069.db2.gz NLFJWBCGNFHBPZ-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1CC1 ZINC000109812720 385488075 /nfs/dbraw/zinc/48/80/75/385488075.db2.gz NLFJWBCGNFHBPZ-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO Cn1cc[nH+]c1CN(CC#N)C1CCCC1 ZINC000156663288 385463611 /nfs/dbraw/zinc/46/36/11/385463611.db2.gz NJYMOUAEPNRLPC-UHFFFAOYSA-N 1 2 218.304 1.688 20 30 BDEDLO CC#CC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000172830378 385524887 /nfs/dbraw/zinc/52/48/87/385524887.db2.gz SHMDJDGUZWNALO-UHFFFAOYSA-N 1 2 249.745 1.880 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491698024 385552201 /nfs/dbraw/zinc/55/22/01/385552201.db2.gz ABZSHQRNNMDXAD-WDEREUQCSA-N 1 2 248.330 1.675 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493561850 533130364 /nfs/dbraw/zinc/13/03/64/533130364.db2.gz TXXHEXAGBNOCTI-NWALNABHSA-N 1 2 218.260 1.041 20 30 BDEDLO CCN(CCC[N@H+](CC)[C@@H](C)C#N)[C@@H](C)C#N ZINC000595821671 385639226 /nfs/dbraw/zinc/63/92/26/385639226.db2.gz YVONOAQXVGGIPK-STQMWFEESA-N 1 2 236.363 1.844 20 30 BDEDLO CCN(CCC[N@@H+](CC)[C@@H](C)C#N)[C@@H](C)C#N ZINC000595821671 385639230 /nfs/dbraw/zinc/63/92/30/385639230.db2.gz YVONOAQXVGGIPK-STQMWFEESA-N 1 2 236.363 1.844 20 30 BDEDLO Cc1cc[nH+]c(N2CCN(CC#N)CC2)c1 ZINC000070994946 385668788 /nfs/dbraw/zinc/66/87/88/385668788.db2.gz NYGGSWZYOGGISQ-UHFFFAOYSA-N 1 2 216.288 1.036 20 30 BDEDLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)C#N)cc2[nH+]1 ZINC000347078834 386217468 /nfs/dbraw/zinc/21/74/68/386217468.db2.gz VLIDVULDWDYEGA-ZETCQYMHSA-N 1 2 228.255 1.970 20 30 BDEDLO N#CC1(C[N@H+](CCCO)Cc2ccccn2)CC1 ZINC000347075336 386218049 /nfs/dbraw/zinc/21/80/49/386218049.db2.gz HCTAENLJXYFOET-UHFFFAOYSA-N 1 2 245.326 1.570 20 30 BDEDLO N#CC1(C[N@@H+](CCCO)Cc2ccccn2)CC1 ZINC000347075336 386218055 /nfs/dbraw/zinc/21/80/55/386218055.db2.gz HCTAENLJXYFOET-UHFFFAOYSA-N 1 2 245.326 1.570 20 30 BDEDLO C=CCCOCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643318629 386218261 /nfs/dbraw/zinc/21/82/61/386218261.db2.gz DYVQOJLJDCBOCK-UHFFFAOYSA-N 1 2 248.326 1.907 20 30 BDEDLO CC[C@@H](O)CCNc1cc(C)[nH+]cc1C#N ZINC000398952650 386222189 /nfs/dbraw/zinc/22/21/89/386222189.db2.gz FILCZWXJRHGYIY-LLVKDONJSA-N 1 2 219.288 1.257 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)CCc1cscn1 ZINC000297101223 386225927 /nfs/dbraw/zinc/22/59/27/386225927.db2.gz LDZFGCHYYBQTIC-VIFPVBQESA-N 1 2 209.318 1.777 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)CCc1cscn1 ZINC000297101223 386225931 /nfs/dbraw/zinc/22/59/31/386225931.db2.gz LDZFGCHYYBQTIC-VIFPVBQESA-N 1 2 209.318 1.777 20 30 BDEDLO CCN1CC[N@H+](CCC(C)(C)C#N)[C@@H](C)C1=O ZINC000347258298 386307279 /nfs/dbraw/zinc/30/72/79/386307279.db2.gz XUBHCVNIZYVXHO-NSHDSACASA-N 1 2 237.347 1.479 20 30 BDEDLO CCN1CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C1=O ZINC000347258298 386307284 /nfs/dbraw/zinc/30/72/84/386307284.db2.gz XUBHCVNIZYVXHO-NSHDSACASA-N 1 2 237.347 1.479 20 30 BDEDLO C=CCC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000320319364 386314649 /nfs/dbraw/zinc/31/46/49/386314649.db2.gz WBXIXKKYZWGMGB-VIFPVBQESA-N 1 2 247.302 1.102 20 30 BDEDLO C=CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347317074 386357987 /nfs/dbraw/zinc/35/79/87/386357987.db2.gz QXDZOMNRKWIGIR-LLVKDONJSA-N 1 2 248.330 1.699 20 30 BDEDLO C=CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280759094 386373077 /nfs/dbraw/zinc/37/30/77/386373077.db2.gz LSQAMBXIGBVVLU-UHFFFAOYSA-N 1 2 232.274 1.266 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347393620 386378310 /nfs/dbraw/zinc/37/83/10/386378310.db2.gz VBQSJUWMKCFQPI-ZDUSSCGKSA-N 1 2 242.338 1.845 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347393620 386378315 /nfs/dbraw/zinc/37/83/15/386378315.db2.gz VBQSJUWMKCFQPI-ZDUSSCGKSA-N 1 2 242.338 1.845 20 30 BDEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425539415 386339520 /nfs/dbraw/zinc/33/95/20/386339520.db2.gz MOTKDVJFGQDFKN-CQSZACIVSA-N 1 2 244.338 1.735 20 30 BDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425539415 386339524 /nfs/dbraw/zinc/33/95/24/386339524.db2.gz MOTKDVJFGQDFKN-CQSZACIVSA-N 1 2 244.338 1.735 20 30 BDEDLO C=CC[N@H+](Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000347538929 386444884 /nfs/dbraw/zinc/44/48/84/386444884.db2.gz KQXPOJNLXUUBMF-UHFFFAOYSA-N 1 2 218.304 1.833 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000347538929 386444890 /nfs/dbraw/zinc/44/48/90/386444890.db2.gz KQXPOJNLXUUBMF-UHFFFAOYSA-N 1 2 218.304 1.833 20 30 BDEDLO Cc1cc(NCCC[C@@H](C)CO)c(C#N)c[nH+]1 ZINC000398998762 386504589 /nfs/dbraw/zinc/50/45/89/386504589.db2.gz RLSQDDCVFUKCQU-SNVBAGLBSA-N 1 2 233.315 1.504 20 30 BDEDLO C=C(Br)CN1CC[NH+](C)CC1 ZINC000062640439 386522931 /nfs/dbraw/zinc/52/29/31/386522931.db2.gz QEAWQCOYANXQHT-UHFFFAOYSA-N 1 2 219.126 1.142 20 30 BDEDLO CCC[C@@H](CCO)CNc1cc(C)[nH+]cc1C#N ZINC000399017192 386549041 /nfs/dbraw/zinc/54/90/41/386549041.db2.gz CQONRADYWRGNGC-LBPRGKRZSA-N 1 2 247.342 1.894 20 30 BDEDLO CCOC(=O)C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342713410 386570928 /nfs/dbraw/zinc/57/09/28/386570928.db2.gz SRFIHVNIDGHZNJ-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342713410 386570934 /nfs/dbraw/zinc/57/09/34/386570934.db2.gz SRFIHVNIDGHZNJ-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC1 ZINC000328891096 386640042 /nfs/dbraw/zinc/64/00/42/386640042.db2.gz SDOMUIMXQPNOGL-SNVBAGLBSA-N 1 2 234.303 1.380 20 30 BDEDLO CCCN(CC#N)C(=O)Cc1[nH]c[nH+]c1C ZINC000279298391 386660429 /nfs/dbraw/zinc/66/04/29/386660429.db2.gz ZCGSGBHQNLHPHW-UHFFFAOYSA-N 1 2 220.276 1.023 20 30 BDEDLO CC[N@@H+](Cc1cnc(C)cn1)C[C@H](C)C#N ZINC000330363940 386674815 /nfs/dbraw/zinc/67/48/15/386674815.db2.gz ZUJKCIWWVQUWPK-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1cnc(C)cn1)C[C@H](C)C#N ZINC000330363940 386674821 /nfs/dbraw/zinc/67/48/21/386674821.db2.gz ZUJKCIWWVQUWPK-SNVBAGLBSA-N 1 2 218.304 1.767 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)[NH+]=C([O-])N(C)CC(F)F ZINC000330559446 386769056 /nfs/dbraw/zinc/76/90/56/386769056.db2.gz ALTILNURJCKYSK-QMMMGPOBSA-N 1 2 246.261 1.383 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(F)F ZINC000330559446 386769062 /nfs/dbraw/zinc/76/90/62/386769062.db2.gz ALTILNURJCKYSK-QMMMGPOBSA-N 1 2 246.261 1.383 20 30 BDEDLO N#CCCCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330567220 386790742 /nfs/dbraw/zinc/79/07/42/386790742.db2.gz LIJQOMUDCKXWCR-BDAKNGLRSA-N 1 2 213.256 1.628 20 30 BDEDLO N#CCCCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330567220 386790746 /nfs/dbraw/zinc/79/07/46/386790746.db2.gz LIJQOMUDCKXWCR-BDAKNGLRSA-N 1 2 213.256 1.628 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@H](C)c2ccon2)c[nH+]1 ZINC000330571319 386793992 /nfs/dbraw/zinc/79/39/92/386793992.db2.gz MRWRQXIUVBLBRQ-ZCFIWIBFSA-N 1 2 220.232 1.772 20 30 BDEDLO C[C@@H]1COC[C@@H](C)[NH+]1CC1(C#N)CCC1 ZINC000334791296 386856140 /nfs/dbraw/zinc/85/61/40/386856140.db2.gz PHONPWRRXMSKQR-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO CCc1cnc(CNc2cc(C)[nH+]cc2C#N)o1 ZINC000399522152 386955076 /nfs/dbraw/zinc/95/50/76/386955076.db2.gz RDHBGSPOVCKGJT-UHFFFAOYSA-N 1 2 242.282 1.846 20 30 BDEDLO CO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000399518655 386955088 /nfs/dbraw/zinc/95/50/88/386955088.db2.gz PSNGZSSQHYMCRP-CHWSQXEVSA-N 1 2 245.326 1.909 20 30 BDEDLO Cc1cc(NC(=O)NCC2(C#N)CCC2)cc[nH+]1 ZINC000334897102 386971348 /nfs/dbraw/zinc/97/13/48/386971348.db2.gz GEHVFRWXQRKBED-UHFFFAOYSA-N 1 2 244.298 1.627 20 30 BDEDLO CO[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399404764 387017352 /nfs/dbraw/zinc/01/73/52/387017352.db2.gz TWKSUACLJLSZDG-NSHDSACASA-N 1 2 217.272 1.487 20 30 BDEDLO COC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000193095371 387065912 /nfs/dbraw/zinc/06/59/12/387065912.db2.gz UHUXOAJKWUQEKJ-BBBLOLIVSA-N 1 2 210.277 1.220 20 30 BDEDLO Cc1cc(NC[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000399430020 387098678 /nfs/dbraw/zinc/09/86/78/387098678.db2.gz HVBBGXIIZLWOCO-SNVBAGLBSA-N 1 2 217.272 1.132 20 30 BDEDLO N#Cc1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000418144000 387166579 /nfs/dbraw/zinc/16/65/79/387166579.db2.gz RWUFOLKXENGINX-UHFFFAOYSA-N 1 2 215.256 1.935 20 30 BDEDLO COCCCNc1cc(C)[nH+]cc1C#N ZINC000399744142 387176747 /nfs/dbraw/zinc/17/67/47/387176747.db2.gz QZGXGHPWBGJIRL-UHFFFAOYSA-N 1 2 205.261 1.132 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000191913025 387212086 /nfs/dbraw/zinc/21/20/86/387212086.db2.gz CPVIPDBLBKMDSY-LBPRGKRZSA-N 1 2 247.273 1.147 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000191913025 387212092 /nfs/dbraw/zinc/21/20/92/387212092.db2.gz CPVIPDBLBKMDSY-LBPRGKRZSA-N 1 2 247.273 1.147 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191208864 387354673 /nfs/dbraw/zinc/35/46/73/387354673.db2.gz MGVMFAFDTXTQCU-ZDUSSCGKSA-N 1 2 233.315 1.508 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191208864 387354676 /nfs/dbraw/zinc/35/46/76/387354676.db2.gz MGVMFAFDTXTQCU-ZDUSSCGKSA-N 1 2 233.315 1.508 20 30 BDEDLO C[C@@H]([NH2+]Cc1ncnn1C)c1ccc(C#N)cc1 ZINC000088572056 387426602 /nfs/dbraw/zinc/42/66/02/387426602.db2.gz MKBGZJSUXQUGIB-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=CCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000263972177 387388512 /nfs/dbraw/zinc/38/85/12/387388512.db2.gz HXVLFZQXLXDRMM-JTQLQIEISA-N 1 2 207.277 1.354 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265273164 387395232 /nfs/dbraw/zinc/39/52/32/387395232.db2.gz GKNMNQWXIBFFLX-MNOVXSKESA-N 1 2 236.319 1.535 20 30 BDEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cnn(C)c1 ZINC000352811102 387512835 /nfs/dbraw/zinc/51/28/35/387512835.db2.gz QJHNYVOIAPLGHF-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CCC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000277276418 387530790 /nfs/dbraw/zinc/53/07/90/387530790.db2.gz PATQSEYJSARUMP-UHFFFAOYSA-N 1 2 219.288 1.772 20 30 BDEDLO CC#CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000527497574 387583700 /nfs/dbraw/zinc/58/37/00/387583700.db2.gz CVCSYZIBJOELNH-UHFFFAOYSA-N 1 2 217.272 1.265 20 30 BDEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccn1 ZINC000527532012 387619998 /nfs/dbraw/zinc/61/99/98/387619998.db2.gz DZBSHRRVGIWVPY-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)ccn1 ZINC000527532012 387620002 /nfs/dbraw/zinc/62/00/02/387620002.db2.gz DZBSHRRVGIWVPY-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO CC#CC[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619792 387639782 /nfs/dbraw/zinc/63/97/82/387639782.db2.gz OHGKLFMYBWDEKS-UHFFFAOYSA-N 1 2 229.327 1.981 20 30 BDEDLO CC#CC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619792 387639785 /nfs/dbraw/zinc/63/97/85/387639785.db2.gz OHGKLFMYBWDEKS-UHFFFAOYSA-N 1 2 229.327 1.981 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1nccnc1C#N ZINC000268993266 387659897 /nfs/dbraw/zinc/65/98/97/387659897.db2.gz VKWYFCACNSPUHX-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccnc(C)c2)nn1 ZINC000527717530 387672324 /nfs/dbraw/zinc/67/23/24/387672324.db2.gz ALFQAGKAIUXVBR-UHFFFAOYSA-N 1 2 243.314 1.457 20 30 BDEDLO C=C(C)COCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422992090 387799443 /nfs/dbraw/zinc/79/94/43/387799443.db2.gz QQUOQKPFLGVWLJ-RYUDHWBXSA-N 1 2 212.337 1.167 20 30 BDEDLO C[N@H+](Cc1ccccc1C#N)C(C)(C)C(N)=O ZINC000295317492 387856391 /nfs/dbraw/zinc/85/63/91/387856391.db2.gz GLAHUCCCSMIJCX-UHFFFAOYSA-N 1 2 231.299 1.254 20 30 BDEDLO C[N@@H+](Cc1ccccc1C#N)C(C)(C)C(N)=O ZINC000295317492 387856396 /nfs/dbraw/zinc/85/63/96/387856396.db2.gz GLAHUCCCSMIJCX-UHFFFAOYSA-N 1 2 231.299 1.254 20 30 BDEDLO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC(C)(C#N)C1 ZINC000453013022 387961006 /nfs/dbraw/zinc/96/10/06/387961006.db2.gz JKSVAMZZQCMOCY-TZMCWYRMSA-N 1 2 244.338 1.996 20 30 BDEDLO CN(C)c1noc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000446796110 388039058 /nfs/dbraw/zinc/03/90/58/388039058.db2.gz QIFFHUUZINUYQK-NXEZZACHSA-N 1 2 249.318 1.308 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCCCn1cc[nH+]c1 ZINC000424523341 388085782 /nfs/dbraw/zinc/08/57/82/388085782.db2.gz JEHHQFLPYVSWDD-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258173 388172193 /nfs/dbraw/zinc/17/21/93/388172193.db2.gz IOUSQFBHKYWIAZ-SNVBAGLBSA-N 1 2 249.314 1.276 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258173 388172194 /nfs/dbraw/zinc/17/21/94/388172194.db2.gz IOUSQFBHKYWIAZ-SNVBAGLBSA-N 1 2 249.314 1.276 20 30 BDEDLO C=C(C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000488581436 388188765 /nfs/dbraw/zinc/18/87/65/388188765.db2.gz USROXRWLLGFFAC-JTQLQIEISA-N 1 2 222.292 1.147 20 30 BDEDLO C=C(CC)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000454846347 388136928 /nfs/dbraw/zinc/13/69/28/388136928.db2.gz ZGCICANQLDAXGM-LLVKDONJSA-N 1 2 248.330 1.463 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OCC ZINC000449654722 388248829 /nfs/dbraw/zinc/24/88/29/388248829.db2.gz FLEWJMUVZFSABK-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@H]1CCOC1)C(=O)OCC ZINC000449658029 388249641 /nfs/dbraw/zinc/24/96/41/388249641.db2.gz RWJWHGQYHFQYOR-WDEREUQCSA-N 1 2 227.304 1.263 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n(C)c1C ZINC000490780700 388254534 /nfs/dbraw/zinc/25/45/34/388254534.db2.gz PJZGRQQFMIKJPT-UHFFFAOYSA-N 1 2 232.327 1.780 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n(C)c1C ZINC000490780700 388254535 /nfs/dbraw/zinc/25/45/35/388254535.db2.gz PJZGRQQFMIKJPT-UHFFFAOYSA-N 1 2 232.327 1.780 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000490865841 388257489 /nfs/dbraw/zinc/25/74/89/388257489.db2.gz IXGIXMXHADWXDE-UHFFFAOYSA-N 1 2 200.241 1.893 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000490865841 388257490 /nfs/dbraw/zinc/25/74/90/388257490.db2.gz IXGIXMXHADWXDE-UHFFFAOYSA-N 1 2 200.241 1.893 20 30 BDEDLO C=CCn1cccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000488876411 388198605 /nfs/dbraw/zinc/19/86/05/388198605.db2.gz IDUKSHPOPCYXPR-UHFFFAOYSA-N 1 2 244.298 1.669 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C)nn1)C1CCCC1 ZINC000490897233 388258951 /nfs/dbraw/zinc/25/89/51/388258951.db2.gz AQGJYAKDQKSNPL-UHFFFAOYSA-N 1 2 218.304 1.193 20 30 BDEDLO C#CC[N@H+](Cc1cn(C)nn1)C1CCCC1 ZINC000490897233 388258953 /nfs/dbraw/zinc/25/89/53/388258953.db2.gz AQGJYAKDQKSNPL-UHFFFAOYSA-N 1 2 218.304 1.193 20 30 BDEDLO C=CCN(CC=C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000489516819 388219479 /nfs/dbraw/zinc/21/94/79/388219479.db2.gz PKEQWTVRKVPCDW-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO C=CCN(CC=C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000489516819 388219481 /nfs/dbraw/zinc/21/94/81/388219481.db2.gz PKEQWTVRKVPCDW-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ncccc1C ZINC000490921929 388260335 /nfs/dbraw/zinc/26/03/35/388260335.db2.gz AVCLEPJSVOYXHV-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ncccc1C ZINC000490921929 388260336 /nfs/dbraw/zinc/26/03/36/388260336.db2.gz AVCLEPJSVOYXHV-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000491349597 388287330 /nfs/dbraw/zinc/28/73/30/388287330.db2.gz JCRZRCQEABLPIT-NSHDSACASA-N 1 2 243.310 1.070 20 30 BDEDLO C#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000491419561 388293305 /nfs/dbraw/zinc/29/33/05/388293305.db2.gz VEKXULWGUCGZAZ-GZTOBOFZSA-N 1 2 217.272 1.197 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1csc(C)c1 ZINC000491524579 388301096 /nfs/dbraw/zinc/30/10/96/388301096.db2.gz MXNINWHOJMNGPH-LBPRGKRZSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1csc(C)c1 ZINC000491524579 388301098 /nfs/dbraw/zinc/30/10/98/388301098.db2.gz MXNINWHOJMNGPH-LBPRGKRZSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@H](CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491628144 388306159 /nfs/dbraw/zinc/30/61/59/388306159.db2.gz LGTQALUYHZZHCB-WDEREUQCSA-N 1 2 219.288 1.362 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000491630799 388306427 /nfs/dbraw/zinc/30/64/27/388306427.db2.gz XNMRNPUKFNIUMF-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000491630799 388306428 /nfs/dbraw/zinc/30/64/28/388306428.db2.gz XNMRNPUKFNIUMF-UHFFFAOYSA-N 1 2 202.232 1.762 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000491644073 388307579 /nfs/dbraw/zinc/30/75/79/388307579.db2.gz IOUMACOKNKOCJL-JQWIXIFHSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000491644073 388307580 /nfs/dbraw/zinc/30/75/80/388307580.db2.gz IOUMACOKNKOCJL-JQWIXIFHSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CC1CCC(=O)CC1 ZINC000491659359 388308704 /nfs/dbraw/zinc/30/87/04/388308704.db2.gz COWHNMHVZJIBJY-GFCCVEGCSA-N 1 2 221.300 1.080 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CC1CCC(=O)CC1 ZINC000491659359 388308705 /nfs/dbraw/zinc/30/87/05/388308705.db2.gz COWHNMHVZJIBJY-GFCCVEGCSA-N 1 2 221.300 1.080 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOCC1CCCC1 ZINC000491716231 388314200 /nfs/dbraw/zinc/31/42/00/388314200.db2.gz MOWIWVKYJYMDRL-AWEZNQCLSA-N 1 2 237.343 1.527 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOCC1CCCC1 ZINC000491716231 388314201 /nfs/dbraw/zinc/31/42/01/388314201.db2.gz MOWIWVKYJYMDRL-AWEZNQCLSA-N 1 2 237.343 1.527 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000491715700 388314269 /nfs/dbraw/zinc/31/42/69/388314269.db2.gz QNONYKMPABFZPG-QWHCGFSZSA-N 1 2 223.316 1.280 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CC[C@H]1CCCCO1 ZINC000491715700 388314270 /nfs/dbraw/zinc/31/42/70/388314270.db2.gz QNONYKMPABFZPG-QWHCGFSZSA-N 1 2 223.316 1.280 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491739727 388316612 /nfs/dbraw/zinc/31/66/12/388316612.db2.gz SKWFEWKUEQKONQ-QWRGUYRKSA-N 1 2 219.288 1.314 20 30 BDEDLO C#CC[N@@H+](Cc1cccnc1OC)C1CC1 ZINC000491743253 388317136 /nfs/dbraw/zinc/31/71/36/388317136.db2.gz QVHTZDWSDWFSEN-UHFFFAOYSA-N 1 2 216.284 1.688 20 30 BDEDLO C#CC[N@H+](Cc1cccnc1OC)C1CC1 ZINC000491743253 388317137 /nfs/dbraw/zinc/31/71/37/388317137.db2.gz QVHTZDWSDWFSEN-UHFFFAOYSA-N 1 2 216.284 1.688 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000491072959 388268036 /nfs/dbraw/zinc/26/80/36/388268036.db2.gz WNVSNEUCQXMDSH-UHFFFAOYSA-N 1 2 236.275 1.172 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000491072959 388268038 /nfs/dbraw/zinc/26/80/38/388268038.db2.gz WNVSNEUCQXMDSH-UHFFFAOYSA-N 1 2 236.275 1.172 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnccc1OC ZINC000491181032 388275321 /nfs/dbraw/zinc/27/53/21/388275321.db2.gz PYGLCADHAJCFDS-JTQLQIEISA-N 1 2 204.273 1.544 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnccc1OC ZINC000491181032 388275322 /nfs/dbraw/zinc/27/53/22/388275322.db2.gz PYGLCADHAJCFDS-JTQLQIEISA-N 1 2 204.273 1.544 20 30 BDEDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000162510599 388353603 /nfs/dbraw/zinc/35/36/03/388353603.db2.gz AMADOYDAOHCEEB-UHFFFAOYSA-N 1 2 237.328 1.140 20 30 BDEDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000162510599 388353604 /nfs/dbraw/zinc/35/36/04/388353604.db2.gz AMADOYDAOHCEEB-UHFFFAOYSA-N 1 2 237.328 1.140 20 30 BDEDLO CC[C@H](C)[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573124191 388421954 /nfs/dbraw/zinc/42/19/54/388421954.db2.gz VFPOAXLZZQCQSB-GMXVVIOVSA-N 1 2 239.363 1.629 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC)[C@H]1CCc2ccccc21 ZINC000078047377 388486794 /nfs/dbraw/zinc/48/67/94/388486794.db2.gz DMPXNMQHBHEGJD-AWEZNQCLSA-N 1 2 243.306 1.782 20 30 BDEDLO C#CC[N@H+](CC(=O)OC)[C@H]1CCc2ccccc21 ZINC000078047377 388486797 /nfs/dbraw/zinc/48/67/97/388486797.db2.gz DMPXNMQHBHEGJD-AWEZNQCLSA-N 1 2 243.306 1.782 20 30 BDEDLO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC#N)CC1 ZINC000186406958 388599786 /nfs/dbraw/zinc/59/97/86/388599786.db2.gz ABNXIISOGYLDCS-SNVBAGLBSA-N 1 2 239.319 1.357 20 30 BDEDLO Cn1cc(CNc2ccc(CO)c[nH+]2)cc1C#N ZINC000356295398 388606103 /nfs/dbraw/zinc/60/61/03/388606103.db2.gz BRRBBRLMLFXFRL-UHFFFAOYSA-N 1 2 242.282 1.396 20 30 BDEDLO C=CCCCNC(=O)Cc1c[nH+]cn1C ZINC000548719888 388555066 /nfs/dbraw/zinc/55/50/66/388555066.db2.gz RJWCTZANBQPHLN-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO N#CCC[N@@H+](CC(=O)NCC1CC1)CC1CC1 ZINC000081043669 388566136 /nfs/dbraw/zinc/56/61/36/388566136.db2.gz GPKIYRPMEMLXFM-UHFFFAOYSA-N 1 2 235.331 1.138 20 30 BDEDLO N#CCC[N@H+](CC(=O)NCC1CC1)CC1CC1 ZINC000081043669 388566138 /nfs/dbraw/zinc/56/61/38/388566138.db2.gz GPKIYRPMEMLXFM-UHFFFAOYSA-N 1 2 235.331 1.138 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000192223005 388676217 /nfs/dbraw/zinc/67/62/17/388676217.db2.gz DRTFBMLNIIASCL-NSHDSACASA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000192223005 388676219 /nfs/dbraw/zinc/67/62/19/388676219.db2.gz DRTFBMLNIIASCL-NSHDSACASA-N 1 2 234.343 1.341 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000521630053 388619996 /nfs/dbraw/zinc/61/99/96/388619996.db2.gz XYMOOXNULVFOKM-LLVKDONJSA-N 1 2 233.315 1.528 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000551046568 388620047 /nfs/dbraw/zinc/62/00/47/388620047.db2.gz JGVGXVVNZGGYNF-LBPRGKRZSA-N 1 2 218.300 1.724 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000551046568 388620051 /nfs/dbraw/zinc/62/00/51/388620051.db2.gz JGVGXVVNZGGYNF-LBPRGKRZSA-N 1 2 218.300 1.724 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000521880883 388638789 /nfs/dbraw/zinc/63/87/89/388638789.db2.gz JEKJKJGYXYWABU-CMPLNLGQSA-N 1 2 234.303 1.643 20 30 BDEDLO Cc1ccc2[nH+]c(CNC[C@H](C)C#N)cn2c1 ZINC000551804040 388640983 /nfs/dbraw/zinc/64/09/83/388640983.db2.gz MFLUXUAXMKEUCB-LLVKDONJSA-N 1 2 228.299 1.892 20 30 BDEDLO Cc1ccc2nc(C[NH2+]C[C@H](C)C#N)cn2c1 ZINC000551804040 388640986 /nfs/dbraw/zinc/64/09/86/388640986.db2.gz MFLUXUAXMKEUCB-LLVKDONJSA-N 1 2 228.299 1.892 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000602941400 388646954 /nfs/dbraw/zinc/64/69/54/388646954.db2.gz JYPIPIWIHUCRLH-UHFFFAOYSA-N 1 2 241.298 1.617 20 30 BDEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000602941400 388646958 /nfs/dbraw/zinc/64/69/58/388646958.db2.gz JYPIPIWIHUCRLH-UHFFFAOYSA-N 1 2 241.298 1.617 20 30 BDEDLO Cc1nsc(N2CCn3cc[nH+]c3C2)c1C#N ZINC000329390328 388746774 /nfs/dbraw/zinc/74/67/74/388746774.db2.gz RGHZQQKEJSTIOC-UHFFFAOYSA-N 1 2 245.311 1.540 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)cc1 ZINC000065958392 388707315 /nfs/dbraw/zinc/70/73/15/388707315.db2.gz INIHIUPIWBBXOH-UHFFFAOYSA-N 1 2 248.301 1.349 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cc1 ZINC000065958392 388707317 /nfs/dbraw/zinc/70/73/17/388707317.db2.gz INIHIUPIWBBXOH-UHFFFAOYSA-N 1 2 248.301 1.349 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(C)C1=O ZINC000538711788 388708460 /nfs/dbraw/zinc/70/84/60/388708460.db2.gz SXIKWRMNXQVJFC-MNOVXSKESA-N 1 2 223.320 1.089 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(C)C1=O ZINC000538711788 388708463 /nfs/dbraw/zinc/70/84/63/388708463.db2.gz SXIKWRMNXQVJFC-MNOVXSKESA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330379842 388756695 /nfs/dbraw/zinc/75/66/95/388756695.db2.gz GZEXGSCXQOGYJX-FZMZJTMJSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330379842 388756702 /nfs/dbraw/zinc/75/67/02/388756702.db2.gz GZEXGSCXQOGYJX-FZMZJTMJSA-N 1 2 246.310 1.312 20 30 BDEDLO Cc1cc(N[C@@H]2CC23CCOCC3)c(C#N)c[nH+]1 ZINC000333337909 388813732 /nfs/dbraw/zinc/81/37/32/388813732.db2.gz XKWKEYVESMZPNL-CYBMUJFWSA-N 1 2 243.310 1.665 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cccnc1C#N ZINC000125680803 388803437 /nfs/dbraw/zinc/80/34/37/388803437.db2.gz RDLXYPLLJBWJFP-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523698502 388853907 /nfs/dbraw/zinc/85/39/07/388853907.db2.gz UPLXJRZWAXPHSH-LLVKDONJSA-N 1 2 249.314 1.248 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](CCCC)C(=O)OC ZINC000266968519 388997694 /nfs/dbraw/zinc/99/76/94/388997694.db2.gz ZDJZXNZGMABQAN-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO C#CC[N@H+](CC)[C@H](CCCC)C(=O)OC ZINC000266968519 388997697 /nfs/dbraw/zinc/99/76/97/388997697.db2.gz ZDJZXNZGMABQAN-LLVKDONJSA-N 1 2 211.305 1.673 20 30 BDEDLO C=CCOCCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000348044711 136029513 /nfs/dbraw/zinc/02/95/13/136029513.db2.gz HRPHKDWGYXUGKD-XHDPSFHLSA-N 1 2 231.361 1.032 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000367187479 533258731 /nfs/dbraw/zinc/25/87/31/533258731.db2.gz PMFXDZBNMLBBLA-DGCLKSJQSA-N 1 2 245.326 1.220 20 30 BDEDLO N#Cc1ccc(N2CCn3c[nH+]cc3C2)cn1 ZINC000290776409 132217392 /nfs/dbraw/zinc/21/73/92/132217392.db2.gz VXCBEKVRRBYJJT-UHFFFAOYSA-N 1 2 225.255 1.170 20 30 BDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000331513622 134000443 /nfs/dbraw/zinc/00/04/43/134000443.db2.gz LHAYGHNBPWLHLI-LBPRGKRZSA-N 1 2 236.315 1.708 20 30 BDEDLO COC(=O)[C@]1(C)CCC[N@H+]1CC1(C#N)CCC1 ZINC000331513622 134000444 /nfs/dbraw/zinc/00/04/44/134000444.db2.gz LHAYGHNBPWLHLI-LBPRGKRZSA-N 1 2 236.315 1.708 20 30 BDEDLO N#Cc1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335944408 134019356 /nfs/dbraw/zinc/01/93/56/134019356.db2.gz SPJMPUNKXUWEDM-PHIMTYICSA-N 1 2 234.324 1.983 20 30 BDEDLO N#Cc1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335944408 134019357 /nfs/dbraw/zinc/01/93/57/134019357.db2.gz SPJMPUNKXUWEDM-PHIMTYICSA-N 1 2 234.324 1.983 20 30 BDEDLO CC(C)(C#N)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000335978265 134032318 /nfs/dbraw/zinc/03/23/18/134032318.db2.gz KACGSVFXDDNREP-UHFFFAOYSA-N 1 2 242.282 1.614 20 30 BDEDLO CCCn1cc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000352097649 134064465 /nfs/dbraw/zinc/06/44/65/134064465.db2.gz UZRPSBKEMBKBLR-NSHDSACASA-N 1 2 220.320 1.885 20 30 BDEDLO CCCn1cc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000352097649 134064466 /nfs/dbraw/zinc/06/44/66/134064466.db2.gz UZRPSBKEMBKBLR-NSHDSACASA-N 1 2 220.320 1.885 20 30 BDEDLO C[C@H](C#N)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336286792 134142273 /nfs/dbraw/zinc/14/22/73/134142273.db2.gz JVTAVZAXJIWUSS-SECBINFHSA-N 1 2 243.270 1.615 20 30 BDEDLO Cc1cc(C[NH+]2CCC(F)(C#N)CC2)nn1C ZINC000352449037 134145416 /nfs/dbraw/zinc/14/54/16/134145416.db2.gz KIUUBFMNTIVJCJ-UHFFFAOYSA-N 1 2 236.294 1.556 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352443835 134145564 /nfs/dbraw/zinc/14/55/64/134145564.db2.gz RQLPYEZKGZVZAJ-SNVBAGLBSA-N 1 2 242.282 1.572 20 30 BDEDLO CC#CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352536079 134148040 /nfs/dbraw/zinc/14/80/40/134148040.db2.gz ZABQISMBDLGUSG-UHFFFAOYSA-N 1 2 240.266 1.020 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C)C(C)C ZINC000357921482 134186164 /nfs/dbraw/zinc/18/61/64/134186164.db2.gz MFTVAHXHYVQNIY-NSHDSACASA-N 1 2 225.336 1.477 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C)C(C)C ZINC000357921482 134186165 /nfs/dbraw/zinc/18/61/65/134186165.db2.gz MFTVAHXHYVQNIY-NSHDSACASA-N 1 2 225.336 1.477 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000361633857 134206811 /nfs/dbraw/zinc/20/68/11/134206811.db2.gz XRIBELKPUBDXID-LLVKDONJSA-N 1 2 246.310 1.746 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000361633857 134206812 /nfs/dbraw/zinc/20/68/12/134206812.db2.gz XRIBELKPUBDXID-LLVKDONJSA-N 1 2 246.310 1.746 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000362369982 134210126 /nfs/dbraw/zinc/21/01/26/134210126.db2.gz JHCRGTHNMWEMJC-LLVKDONJSA-N 1 2 248.330 1.757 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000368028628 134217013 /nfs/dbraw/zinc/21/70/13/134217013.db2.gz FALUDCGYFFGURT-UHFFFAOYSA-N 1 2 238.294 1.316 20 30 BDEDLO C#CCCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000371698968 134229250 /nfs/dbraw/zinc/22/92/50/134229250.db2.gz BPAHJPPZJDOJPZ-UHFFFAOYSA-N 1 2 246.314 1.130 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000374158951 134236078 /nfs/dbraw/zinc/23/60/78/134236078.db2.gz IIYMCCBOWIMNMD-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO CCCCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907490 134390755 /nfs/dbraw/zinc/39/07/55/134390755.db2.gz ISKDARWFQHQFLC-UHFFFAOYSA-N 1 2 223.320 1.138 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000063086387 134395528 /nfs/dbraw/zinc/39/55/28/134395528.db2.gz GRGADULEGRWLEF-RISCZKNCSA-N 1 2 243.310 1.826 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000063086387 134395530 /nfs/dbraw/zinc/39/55/30/134395530.db2.gz GRGADULEGRWLEF-RISCZKNCSA-N 1 2 243.310 1.826 20 30 BDEDLO Cn1ccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000227351836 134973369 /nfs/dbraw/zinc/97/33/69/134973369.db2.gz MLBRSLGYDHVVLR-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C[C@@H](C)C#N)C2CC2)C1=O ZINC000337188524 135005079 /nfs/dbraw/zinc/00/50/79/135005079.db2.gz QXIYSIXHEVYREJ-AAEUAGOBSA-N 1 2 247.342 1.397 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C[C@@H](C)C#N)C2CC2)C1=O ZINC000337188524 135005081 /nfs/dbraw/zinc/00/50/81/135005081.db2.gz QXIYSIXHEVYREJ-AAEUAGOBSA-N 1 2 247.342 1.397 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)CO1 ZINC000248824313 135022535 /nfs/dbraw/zinc/02/25/35/135022535.db2.gz GMBQVPOZVCEVKX-QWRGUYRKSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)CO1 ZINC000248824313 135022537 /nfs/dbraw/zinc/02/25/37/135022537.db2.gz GMBQVPOZVCEVKX-QWRGUYRKSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[S@@]1=O ZINC000339003683 135051358 /nfs/dbraw/zinc/05/13/58/135051358.db2.gz MLJJSPZBISXDRZ-RSQPEXBXSA-N 1 2 226.345 1.131 20 30 BDEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC[S@@]1=O ZINC000339003683 135051360 /nfs/dbraw/zinc/05/13/60/135051360.db2.gz MLJJSPZBISXDRZ-RSQPEXBXSA-N 1 2 226.345 1.131 20 30 BDEDLO C=CCOCC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000339035671 135052958 /nfs/dbraw/zinc/05/29/58/135052958.db2.gz MIKAYYJCOIKWPO-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO C=CCOCC[N@H+](C)[C@@H](C)C(=O)OCC ZINC000339035671 135052960 /nfs/dbraw/zinc/05/29/60/135052960.db2.gz MIKAYYJCOIKWPO-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO CC(C)CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000250601681 135056464 /nfs/dbraw/zinc/05/64/64/135056464.db2.gz SEGSNOMJRSRWQT-NEPJUHHUSA-N 1 2 239.363 1.629 20 30 BDEDLO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000250601681 135056466 /nfs/dbraw/zinc/05/64/66/135056466.db2.gz SEGSNOMJRSRWQT-NEPJUHHUSA-N 1 2 239.363 1.629 20 30 BDEDLO CC#CC[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000339750588 135080172 /nfs/dbraw/zinc/08/01/72/135080172.db2.gz OCESZFPZNQQKPL-UHFFFAOYSA-N 1 2 231.255 1.785 20 30 BDEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000339750588 135080174 /nfs/dbraw/zinc/08/01/74/135080174.db2.gz OCESZFPZNQQKPL-UHFFFAOYSA-N 1 2 231.255 1.785 20 30 BDEDLO C[C@H](CC#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000263757136 135127887 /nfs/dbraw/zinc/12/78/87/135127887.db2.gz JUHKUJCVWWCTPW-SNVBAGLBSA-N 1 2 242.282 1.295 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC000264016653 135129564 /nfs/dbraw/zinc/12/95/64/135129564.db2.gz DSEDWXBLHMUARS-UHFFFAOYSA-N 1 2 246.314 1.425 20 30 BDEDLO C[N@@H+]1CCc2ncnc(NCCCCC#N)c2C1 ZINC000264201000 135136275 /nfs/dbraw/zinc/13/62/75/135136275.db2.gz IXBIPVLFGNTCFF-UHFFFAOYSA-N 1 2 245.330 1.570 20 30 BDEDLO C[N@H+]1CCc2ncnc(NCCCCC#N)c2C1 ZINC000264201000 135136276 /nfs/dbraw/zinc/13/62/76/135136276.db2.gz IXBIPVLFGNTCFF-UHFFFAOYSA-N 1 2 245.330 1.570 20 30 BDEDLO CCc1c[nH+]ccc1NC(=O)CSCC#N ZINC000265208158 135142783 /nfs/dbraw/zinc/14/27/83/135142783.db2.gz LGWBVGIOASKEIV-UHFFFAOYSA-N 1 2 235.312 1.839 20 30 BDEDLO CCN(CC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267365942 135153601 /nfs/dbraw/zinc/15/36/01/135153601.db2.gz JEDWTQPHTOYTHC-UHFFFAOYSA-N 1 2 241.298 1.613 20 30 BDEDLO Cc1cc[nH+]cc1N1CCN(CC#N)CC1 ZINC000340592701 135197851 /nfs/dbraw/zinc/19/78/51/135197851.db2.gz DLJLBOAHBLCKGX-UHFFFAOYSA-N 1 2 216.288 1.036 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1 ZINC000299160368 135202334 /nfs/dbraw/zinc/20/23/34/135202334.db2.gz LAIAFZUAJNLYGK-CHWSQXEVSA-N 1 2 248.326 1.518 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000299160368 135202335 /nfs/dbraw/zinc/20/23/35/135202335.db2.gz LAIAFZUAJNLYGK-CHWSQXEVSA-N 1 2 248.326 1.518 20 30 BDEDLO CC#CC[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000120613450 135219817 /nfs/dbraw/zinc/21/98/17/135219817.db2.gz CHPJEQXMIVETRP-UHFFFAOYSA-N 1 2 244.342 1.239 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000121261442 135222835 /nfs/dbraw/zinc/22/28/35/135222835.db2.gz USIQAMONTXBGTJ-UHFFFAOYSA-N 1 2 239.706 1.791 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000121261442 135222837 /nfs/dbraw/zinc/22/28/37/135222837.db2.gz USIQAMONTXBGTJ-UHFFFAOYSA-N 1 2 239.706 1.791 20 30 BDEDLO C=C(C)C[N@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000366714461 135229540 /nfs/dbraw/zinc/22/95/40/135229540.db2.gz SPLIEDNNUVMMJD-JTQLQIEISA-N 1 2 236.319 1.849 20 30 BDEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000366714461 135229542 /nfs/dbraw/zinc/22/95/42/135229542.db2.gz SPLIEDNNUVMMJD-JTQLQIEISA-N 1 2 236.319 1.849 20 30 BDEDLO CC(C)OC[C@H]1C[N@H+](CCCC#N)CCO1 ZINC000366733058 135239955 /nfs/dbraw/zinc/23/99/55/135239955.db2.gz IAGCLDNBQGYAHH-GFCCVEGCSA-N 1 2 226.320 1.416 20 30 BDEDLO CC(C)OC[C@H]1C[N@@H+](CCCC#N)CCO1 ZINC000366733058 135239957 /nfs/dbraw/zinc/23/99/57/135239957.db2.gz IAGCLDNBQGYAHH-GFCCVEGCSA-N 1 2 226.320 1.416 20 30 BDEDLO CC[N@H+](CCC#N)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000342474201 135278790 /nfs/dbraw/zinc/27/87/90/135278790.db2.gz QCDJQNNIQRPYLH-BETUJISGSA-N 1 2 237.347 1.085 20 30 BDEDLO CC[N@@H+](CCC#N)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000342474201 135278791 /nfs/dbraw/zinc/27/87/91/135278791.db2.gz QCDJQNNIQRPYLH-BETUJISGSA-N 1 2 237.347 1.085 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000342727310 135315461 /nfs/dbraw/zinc/31/54/61/135315461.db2.gz BVRKMLFXPHMJGK-UHFFFAOYSA-N 1 2 206.293 1.690 20 30 BDEDLO C=CCC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000342727310 135315463 /nfs/dbraw/zinc/31/54/63/135315463.db2.gz BVRKMLFXPHMJGK-UHFFFAOYSA-N 1 2 206.293 1.690 20 30 BDEDLO Cc1nc(C(C)(C)[NH2+]CCCC#N)no1 ZINC000264296014 135361605 /nfs/dbraw/zinc/36/16/05/135361605.db2.gz ISFCDAUPNQIQHU-UHFFFAOYSA-N 1 2 208.265 1.507 20 30 BDEDLO C[C@@H]([NH2+]CCC#N)c1nnc2ccccn21 ZINC000267464254 135364388 /nfs/dbraw/zinc/36/43/88/135364388.db2.gz RORKRFRPDOPWJD-SECBINFHSA-N 1 2 215.260 1.294 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCc1[nH]c[nH+]c1C ZINC000286114816 135372724 /nfs/dbraw/zinc/37/27/24/135372724.db2.gz NHNRXWSMLYMSMI-LLVKDONJSA-N 1 2 220.276 1.274 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cn[nH]c1C)C(C)(C)C ZINC000290228072 135374286 /nfs/dbraw/zinc/37/42/86/135374286.db2.gz SPJYNCBREFVOPI-NSHDSACASA-N 1 2 205.305 1.856 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000348016655 136021897 /nfs/dbraw/zinc/02/18/97/136021897.db2.gz YRLHSYXLZAAVOV-DTWKUNHWSA-N 1 2 218.260 1.233 20 30 BDEDLO C=CCOCCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000348044711 136029512 /nfs/dbraw/zinc/02/95/12/136029512.db2.gz HRPHKDWGYXUGKD-XHDPSFHLSA-N 1 2 231.361 1.032 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000180056976 397753867 /nfs/dbraw/zinc/75/38/67/397753867.db2.gz HRVNBGYGLXPVNE-JTQLQIEISA-N 1 2 220.320 1.716 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000180056976 397753869 /nfs/dbraw/zinc/75/38/69/397753869.db2.gz HRVNBGYGLXPVNE-JTQLQIEISA-N 1 2 220.320 1.716 20 30 BDEDLO C#C[C@@H](CC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491502966 398043656 /nfs/dbraw/zinc/04/36/56/398043656.db2.gz AOKXVZQHHARBSH-LBPRGKRZSA-N 1 2 241.294 1.784 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595302951 397987364 /nfs/dbraw/zinc/98/73/64/397987364.db2.gz XYMPZASUWHJCQB-FVCCEPFGSA-N 1 2 249.358 1.525 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595302951 397987366 /nfs/dbraw/zinc/98/73/66/397987366.db2.gz XYMPZASUWHJCQB-FVCCEPFGSA-N 1 2 249.358 1.525 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000640110807 398072258 /nfs/dbraw/zinc/07/22/58/398072258.db2.gz HONLSDPAHJUAEY-UHFFFAOYSA-N 1 2 244.338 1.533 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000192238700 398107355 /nfs/dbraw/zinc/10/73/55/398107355.db2.gz DEJGDIIXHMIKCO-OLZOCXBDSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000192238700 398107358 /nfs/dbraw/zinc/10/73/58/398107358.db2.gz DEJGDIIXHMIKCO-OLZOCXBDSA-N 1 2 236.359 1.589 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(COC)no1 ZINC000279217299 166111704 /nfs/dbraw/zinc/11/17/04/166111704.db2.gz HOULWRJAGOEZMB-UHFFFAOYSA-N 1 2 223.276 1.060 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(COC)no1 ZINC000279217299 166111706 /nfs/dbraw/zinc/11/17/06/166111706.db2.gz HOULWRJAGOEZMB-UHFFFAOYSA-N 1 2 223.276 1.060 20 30 BDEDLO C#CCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000272231611 166134848 /nfs/dbraw/zinc/13/48/48/166134848.db2.gz DVMGQQFHXBMUSO-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000272231611 166134850 /nfs/dbraw/zinc/13/48/50/166134850.db2.gz DVMGQQFHXBMUSO-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C=CC[N@H+](Cc1ccon1)[C@@H](C)COC ZINC000661239989 410398773 /nfs/dbraw/zinc/39/87/73/410398773.db2.gz KFPCLDABRMMWQP-JTQLQIEISA-N 1 2 210.277 1.698 20 30 BDEDLO C=CC[N@@H+](Cc1ccon1)[C@@H](C)COC ZINC000661239989 410398780 /nfs/dbraw/zinc/39/87/80/410398780.db2.gz KFPCLDABRMMWQP-JTQLQIEISA-N 1 2 210.277 1.698 20 30 BDEDLO C#CC[N@@H+](CC(=C)Br)C1CC1 ZINC000274245539 166163434 /nfs/dbraw/zinc/16/34/34/166163434.db2.gz YOYUAWBJKUYACX-UHFFFAOYSA-N 1 2 214.106 1.993 20 30 BDEDLO C#CC[N@H+](CC(=C)Br)C1CC1 ZINC000274245539 166163435 /nfs/dbraw/zinc/16/34/35/166163435.db2.gz YOYUAWBJKUYACX-UHFFFAOYSA-N 1 2 214.106 1.993 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000048571776 166167774 /nfs/dbraw/zinc/16/77/74/166167774.db2.gz DJOZMWRZDJKIGA-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000048571776 166167777 /nfs/dbraw/zinc/16/77/77/166167777.db2.gz DJOZMWRZDJKIGA-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C#CC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000173816731 166192851 /nfs/dbraw/zinc/19/28/51/166192851.db2.gz WSGGEXLEVYPPCQ-LLVKDONJSA-N 1 2 241.294 1.944 20 30 BDEDLO C#CCSCC[NH2+]Cc1cn[nH]c1C ZINC000152941363 166202936 /nfs/dbraw/zinc/20/29/36/166202936.db2.gz WHFMGUGTTPVZJT-UHFFFAOYSA-N 1 2 209.318 1.174 20 30 BDEDLO C=CCN(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000271340559 166308994 /nfs/dbraw/zinc/30/89/94/166308994.db2.gz TZKXQKASLJLONS-UHFFFAOYSA-N 1 2 234.303 1.243 20 30 BDEDLO C=CC[NH+](CC=C)CCS(=O)(=O)C(C)C ZINC000178210961 166334163 /nfs/dbraw/zinc/33/41/63/166334163.db2.gz LXLCZATZIUSTDP-UHFFFAOYSA-N 1 2 231.361 1.484 20 30 BDEDLO C=CCOCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000339129309 166418896 /nfs/dbraw/zinc/41/88/96/166418896.db2.gz UCDOFNOCXPJDHW-QWRGUYRKSA-N 1 2 231.361 1.030 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000661579659 410916688 /nfs/dbraw/zinc/91/66/88/410916688.db2.gz ZQIDORVRWOZNPK-KGLIPLIRSA-N 1 2 236.359 1.195 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283646757 167339918 /nfs/dbraw/zinc/33/99/18/167339918.db2.gz COSCUUPIHSRSMB-HMDXOVGESA-N 1 2 218.260 1.087 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000192238885 411062452 /nfs/dbraw/zinc/06/24/52/411062452.db2.gz ALGRZRFAYURLOI-UHFFFAOYSA-N 1 2 233.296 1.123 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000192238885 411062461 /nfs/dbraw/zinc/06/24/61/411062461.db2.gz ALGRZRFAYURLOI-UHFFFAOYSA-N 1 2 233.296 1.123 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000192225749 411062678 /nfs/dbraw/zinc/06/26/78/411062678.db2.gz PIMJJCHVDWUOAF-UHFFFAOYSA-N 1 2 210.321 1.104 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NCCC(C)(C)C ZINC000192225749 411062681 /nfs/dbraw/zinc/06/26/81/411062681.db2.gz PIMJJCHVDWUOAF-UHFFFAOYSA-N 1 2 210.321 1.104 20 30 BDEDLO C#CCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000277194800 411231282 /nfs/dbraw/zinc/23/12/82/411231282.db2.gz WGTVNJGXSKJBGD-LBPRGKRZSA-N 1 2 233.315 1.439 20 30 BDEDLO C=C(CC)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000656452398 411273637 /nfs/dbraw/zinc/27/36/37/411273637.db2.gz GSBYWESUAGYSEX-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=C(CC)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000656452398 411273640 /nfs/dbraw/zinc/27/36/40/411273640.db2.gz GSBYWESUAGYSEX-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000491294560 411392497 /nfs/dbraw/zinc/39/24/97/411392497.db2.gz CBZBRNQZEOSRCU-KGLIPLIRSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000491294560 411392499 /nfs/dbraw/zinc/39/24/99/411392499.db2.gz CBZBRNQZEOSRCU-KGLIPLIRSA-N 1 2 237.343 1.262 20 30 BDEDLO C=CC1CC[NH+](Cc2nnn(C(C)(C)C)n2)CC1 ZINC000653555555 411420577 /nfs/dbraw/zinc/42/05/77/411420577.db2.gz FJGDXJOKBBBMDR-UHFFFAOYSA-N 1 2 249.362 1.826 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655020112 411479262 /nfs/dbraw/zinc/47/92/62/411479262.db2.gz LDLVMAXQDSLCTB-JTQLQIEISA-N 1 2 221.304 1.623 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655020112 411479264 /nfs/dbraw/zinc/47/92/64/411479264.db2.gz LDLVMAXQDSLCTB-JTQLQIEISA-N 1 2 221.304 1.623 20 30 BDEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCCC#N ZINC000336777230 170249693 /nfs/dbraw/zinc/24/96/93/170249693.db2.gz HTHRDTNMHRFQCD-LLVKDONJSA-N 1 2 226.320 1.858 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842695 411653967 /nfs/dbraw/zinc/65/39/67/411653967.db2.gz QBXBSLHWEFSICC-UHFFFAOYSA-N 1 2 225.292 1.953 20 30 BDEDLO C=CCCCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842695 411653970 /nfs/dbraw/zinc/65/39/70/411653970.db2.gz QBXBSLHWEFSICC-UHFFFAOYSA-N 1 2 225.292 1.953 20 30 BDEDLO C=CCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000661570465 411805892 /nfs/dbraw/zinc/80/58/92/411805892.db2.gz NNXVZLMUUUEGDB-UHFFFAOYSA-N 1 2 248.330 1.875 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372170 412130283 /nfs/dbraw/zinc/13/02/83/412130283.db2.gz PZWHRMOJGLQFMP-JTQLQIEISA-N 1 2 203.232 1.366 20 30 BDEDLO CC#CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372170 412130284 /nfs/dbraw/zinc/13/02/84/412130284.db2.gz PZWHRMOJGLQFMP-JTQLQIEISA-N 1 2 203.232 1.366 20 30 BDEDLO CC(C)(Nc1cc(C#N)cnn1)c1[nH]cc[nH+]1 ZINC000603406624 412257046 /nfs/dbraw/zinc/25/70/46/412257046.db2.gz MQHCWABGUYJNNM-UHFFFAOYSA-N 1 2 228.259 1.419 20 30 BDEDLO CNc1cc2c(nn1)CC[N@H+](CCCC#N)C2 ZINC000609257566 412306442 /nfs/dbraw/zinc/30/64/42/412306442.db2.gz ADPNWYNZSJKRPI-UHFFFAOYSA-N 1 2 231.303 1.180 20 30 BDEDLO CNc1cc2c(nn1)CC[N@@H+](CCCC#N)C2 ZINC000609257566 412306443 /nfs/dbraw/zinc/30/64/43/412306443.db2.gz ADPNWYNZSJKRPI-UHFFFAOYSA-N 1 2 231.303 1.180 20 30 BDEDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)[nH]1 ZINC000270713887 172001912 /nfs/dbraw/zinc/00/19/12/172001912.db2.gz MDEJVJKDYFTYDE-MRVPVSSYSA-N 1 2 245.286 1.683 20 30 BDEDLO CN1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1=O ZINC000265666064 173120214 /nfs/dbraw/zinc/12/02/14/173120214.db2.gz VEMKSRDAHZGKMB-CYBMUJFWSA-N 1 2 243.310 1.221 20 30 BDEDLO CN1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1=O ZINC000265666064 173120216 /nfs/dbraw/zinc/12/02/16/173120216.db2.gz VEMKSRDAHZGKMB-CYBMUJFWSA-N 1 2 243.310 1.221 20 30 BDEDLO COCCOC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000358778669 174344321 /nfs/dbraw/zinc/34/43/21/174344321.db2.gz IAXMGJBQDPSFIC-UHFFFAOYSA-N 1 2 246.310 1.405 20 30 BDEDLO COc1ccncc1C[NH2+]Cc1ccc(C#N)o1 ZINC000353607513 175371865 /nfs/dbraw/zinc/37/18/65/175371865.db2.gz ABSPGQFMENCXJU-UHFFFAOYSA-N 1 2 243.266 1.845 20 30 BDEDLO C[C@H](c1cnccn1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484581 177051402 /nfs/dbraw/zinc/05/14/02/177051402.db2.gz RBRGZFZSITUMNH-SNVBAGLBSA-N 1 2 234.278 1.865 20 30 BDEDLO C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1O ZINC000336266190 177165406 /nfs/dbraw/zinc/16/54/06/177165406.db2.gz GPJMMLQXVZCJIW-HZMBPMFUSA-N 1 2 248.301 1.900 20 30 BDEDLO C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H]1O ZINC000336266190 177165408 /nfs/dbraw/zinc/16/54/08/177165408.db2.gz GPJMMLQXVZCJIW-HZMBPMFUSA-N 1 2 248.301 1.900 20 30 BDEDLO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000178812358 177242637 /nfs/dbraw/zinc/24/26/37/177242637.db2.gz NAJXJXPJSJWAGF-LBPRGKRZSA-N 1 2 233.286 1.898 20 30 BDEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000178812358 177242638 /nfs/dbraw/zinc/24/26/38/177242638.db2.gz NAJXJXPJSJWAGF-LBPRGKRZSA-N 1 2 233.286 1.898 20 30 BDEDLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000293338702 177243237 /nfs/dbraw/zinc/24/32/37/177243237.db2.gz GXQSAAYLBXFAIH-DTWKUNHWSA-N 1 2 249.339 1.898 20 30 BDEDLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000293338702 177243239 /nfs/dbraw/zinc/24/32/39/177243239.db2.gz GXQSAAYLBXFAIH-DTWKUNHWSA-N 1 2 249.339 1.898 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000035237080 177292142 /nfs/dbraw/zinc/29/21/42/177292142.db2.gz LGMAIJZZYNWMRK-NSHDSACASA-N 1 2 216.284 1.779 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000035237080 177292144 /nfs/dbraw/zinc/29/21/44/177292144.db2.gz LGMAIJZZYNWMRK-NSHDSACASA-N 1 2 216.284 1.779 20 30 BDEDLO C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160793974 177292342 /nfs/dbraw/zinc/29/23/42/177292342.db2.gz WEMMJLVUVZMWKS-JTQLQIEISA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160793974 177292343 /nfs/dbraw/zinc/29/23/43/177292343.db2.gz WEMMJLVUVZMWKS-JTQLQIEISA-N 1 2 234.274 1.918 20 30 BDEDLO N#CCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493226662 226160662 /nfs/dbraw/zinc/16/06/62/226160662.db2.gz GTIDHGSMMNRSIY-UPHRSURJSA-N 1 2 230.271 1.233 20 30 BDEDLO N#CCN1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494956138 226272378 /nfs/dbraw/zinc/27/23/78/226272378.db2.gz SYJBKCMTKKMSEA-UPHRSURJSA-N 1 2 242.326 1.236 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000299194296 262721927 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/nfs/dbraw/zinc/73/14/28/487731428.db2.gz UIMROWYADUSDNX-UHFFFAOYSA-N 1 2 234.303 1.683 20 30 BDEDLO C=C[C@@H](CO)[NH2+]Cc1csc(CC)n1 ZINC000289807419 323067998 /nfs/dbraw/zinc/06/79/98/323067998.db2.gz LKERSMVVKRONBY-QMMMGPOBSA-N 1 2 212.318 1.342 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H]1C=CCC1 ZINC000563852148 323180830 /nfs/dbraw/zinc/18/08/30/323180830.db2.gz NDRYAAYFWUZJDU-DGCLKSJQSA-N 1 2 235.331 1.303 20 30 BDEDLO C[C@H](CC(=O)N(C)[C@@H](C)C#N)n1cc[nH+]c1 ZINC000563958773 323332022 /nfs/dbraw/zinc/33/20/22/323332022.db2.gz AWKJOXGOUZGYQV-ZJUUUORDSA-N 1 2 220.276 1.205 20 30 BDEDLO CC#CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000543607139 325097291 /nfs/dbraw/zinc/09/72/91/325097291.db2.gz GBZVMLISDPCVLO-UHFFFAOYSA-N 1 2 227.267 1.478 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000133059317 325263949 /nfs/dbraw/zinc/26/39/49/325263949.db2.gz DYPBXWNDKPWUDE-UHFFFAOYSA-N 1 2 249.358 1.280 20 30 BDEDLO Cc1ccc(CCNc2ccncc2C#N)c[nH+]1 ZINC000547792933 325399180 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/nfs/dbraw/zinc/72/93/95/588729395.db2.gz DLQHGZNYBZDRBQ-UHFFFAOYSA-N 1 2 230.275 1.653 20 30 BDEDLO Cc1cc(C)nc(N=NC(C)c2c[nH+]c[nH]2)n1 ZINC000853253782 588729396 /nfs/dbraw/zinc/72/93/96/588729396.db2.gz DLQHGZNYBZDRBQ-UHFFFAOYSA-N 1 2 230.275 1.653 20 30 BDEDLO c1[nH+]c2n(c1CN=Nc1ccccn1)CCC2 ZINC000853269727 588730219 /nfs/dbraw/zinc/73/02/19/588730219.db2.gz ZTDNNZWJNQTUSM-UHFFFAOYSA-N 1 2 227.271 1.670 20 30 BDEDLO Cc1[nH]c(CN=Nc2cnn(C)c2)[nH+]c1C ZINC000853338820 588734921 /nfs/dbraw/zinc/73/49/21/588734921.db2.gz FGUYUZQMCATDSZ-UHFFFAOYSA-N 1 2 218.264 1.206 20 30 BDEDLO Cc1[nH+]cc(C=NOC[C@H]2CCOC2)n1C ZINC000853337620 588735020 /nfs/dbraw/zinc/73/50/20/588735020.db2.gz OFQSHWJLROVFIG-JTQLQIEISA-N 1 2 223.276 1.116 20 30 BDEDLO C=CCCC[N@@H+](C)Cn1nc(C)oc1=O ZINC000853496087 588746001 /nfs/dbraw/zinc/74/60/01/588746001.db2.gz CCDRKKBJNWDGMP-UHFFFAOYSA-N 1 2 211.265 1.000 20 30 BDEDLO C=CCCC[N@H+](C)Cn1nc(C)oc1=O ZINC000853496087 588746002 /nfs/dbraw/zinc/74/60/02/588746002.db2.gz CCDRKKBJNWDGMP-UHFFFAOYSA-N 1 2 211.265 1.000 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853509492 588746630 /nfs/dbraw/zinc/74/66/30/588746630.db2.gz WVIRDCVROLFBAF-RYUDHWBXSA-N 1 2 222.332 1.402 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853509492 588746631 /nfs/dbraw/zinc/74/66/31/588746631.db2.gz WVIRDCVROLFBAF-RYUDHWBXSA-N 1 2 222.332 1.402 20 30 BDEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853536324 588748001 /nfs/dbraw/zinc/74/80/01/588748001.db2.gz AHJPOCXNAYYZFM-NSHDSACASA-N 1 2 237.303 1.390 20 30 BDEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853536324 588748002 /nfs/dbraw/zinc/74/80/02/588748002.db2.gz AHJPOCXNAYYZFM-NSHDSACASA-N 1 2 237.303 1.390 20 30 BDEDLO NC(=[NH+]OCCOC(F)F)c1ccc(F)cc1 ZINC000853645671 588751961 /nfs/dbraw/zinc/75/19/61/588751961.db2.gz CXYNFNLRSWSIMA-UHFFFAOYSA-N 1 2 248.204 1.702 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCCc1ccc(C#N)cc1 ZINC000853673439 588754532 /nfs/dbraw/zinc/75/45/32/588754532.db2.gz DURZBTLRBMUDMM-JTQLQIEISA-N 1 2 247.298 1.634 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCC1(CC#N)CC1 ZINC000853673218 588754599 /nfs/dbraw/zinc/75/45/99/588754599.db2.gz CAIOPECXIRFLDZ-QMMMGPOBSA-N 1 2 211.265 1.214 20 30 BDEDLO C#CCOCCOC(=O)c1ccc(C)[nH+]c1NC ZINC000853890503 588767376 /nfs/dbraw/zinc/76/73/76/588767376.db2.gz KFRMYQYMUXVOOH-UHFFFAOYSA-N 1 2 248.282 1.238 20 30 BDEDLO C#C[C@@H](Nc1cc[nH+]c(C)n1)C1CCOCC1 ZINC000853920928 588769105 /nfs/dbraw/zinc/76/91/05/588769105.db2.gz UWQCLQGLPGOEOH-GFCCVEGCSA-N 1 2 231.299 1.625 20 30 BDEDLO N#CC1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854335123 588784690 /nfs/dbraw/zinc/78/46/90/588784690.db2.gz CLIBTZFOZJDAQK-UHFFFAOYSA-N 1 2 246.314 1.398 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000854699011 588802962 /nfs/dbraw/zinc/80/29/62/588802962.db2.gz NJUMWWBBIWLDTN-SMDDNHRTSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000854699008 588803138 /nfs/dbraw/zinc/80/31/38/588803138.db2.gz NJUMWWBBIWLDTN-BXUZGUMPSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)CCc1c[nH+]cn1C ZINC000854702643 588803481 /nfs/dbraw/zinc/80/34/81/588803481.db2.gz VMEQHGGSMLCTJL-CYBMUJFWSA-N 1 2 233.315 1.271 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000855027013 588820901 /nfs/dbraw/zinc/82/09/01/588820901.db2.gz VYLSBOTVDFNPNJ-IUCAKERBSA-N 1 2 235.287 1.137 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000855027013 588820902 /nfs/dbraw/zinc/82/09/02/588820902.db2.gz VYLSBOTVDFNPNJ-IUCAKERBSA-N 1 2 235.287 1.137 20 30 BDEDLO C[C@@H]1CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000113243129 588828228 /nfs/dbraw/zinc/82/82/28/588828228.db2.gz CQYGMXPOFSZHHF-SNVBAGLBSA-N 1 2 221.304 1.048 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000890554863 582476794 /nfs/dbraw/zinc/47/67/94/582476794.db2.gz YMQKUCLQNMYIKS-VXGBXAGGSA-N 1 2 245.326 1.623 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC000890647592 582491708 /nfs/dbraw/zinc/49/17/08/582491708.db2.gz HDILRIBMXXIXLK-ZDUSSCGKSA-N 1 2 245.326 1.678 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000890653384 582493148 /nfs/dbraw/zinc/49/31/48/582493148.db2.gz JGQVDSRZSBFRIL-NSHDSACASA-N 1 2 231.299 1.275 20 30 BDEDLO C#CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000844046954 582567936 /nfs/dbraw/zinc/56/79/36/582567936.db2.gz KLCKHRUIXCXOLO-UHFFFAOYSA-N 1 2 231.299 1.214 20 30 BDEDLO C#CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000844046954 582567938 /nfs/dbraw/zinc/56/79/38/582567938.db2.gz KLCKHRUIXCXOLO-UHFFFAOYSA-N 1 2 231.299 1.214 20 30 BDEDLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@@H](C)C#N ZINC000890854445 582580776 /nfs/dbraw/zinc/58/07/76/582580776.db2.gz DYAJYSAHYJKPNT-VIFPVBQESA-N 1 2 242.282 1.419 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C#N)ccn12 ZINC000891121225 582612652 /nfs/dbraw/zinc/61/26/52/582612652.db2.gz OJTLLJRDIFVJEE-SECBINFHSA-N 1 2 242.282 1.627 20 30 BDEDLO Cc1cc(C#N)nc(NCC[NH+]2CCOCC2)c1 ZINC000891425407 582682129 /nfs/dbraw/zinc/68/21/29/582682129.db2.gz BQCVPKVWDPQDIK-UHFFFAOYSA-N 1 2 246.314 1.006 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(O)c(F)c1 ZINC000892068808 582783940 /nfs/dbraw/zinc/78/39/40/582783940.db2.gz TXXUBEXOGQZVEQ-UHFFFAOYSA-N 1 2 231.270 1.990 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(O)c(F)c1 ZINC000892068808 582783941 /nfs/dbraw/zinc/78/39/41/582783941.db2.gz TXXUBEXOGQZVEQ-UHFFFAOYSA-N 1 2 231.270 1.990 20 30 BDEDLO C=CCCONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000856027557 588855804 /nfs/dbraw/zinc/85/58/04/588855804.db2.gz QPKZWROCEYZXTN-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO C#CCSCCNc1cccc([C@H](C)O)[nH+]1 ZINC000892641809 582936613 /nfs/dbraw/zinc/93/66/13/582936613.db2.gz ZXNXWCZFMFXHKI-JTQLQIEISA-N 1 2 236.340 1.913 20 30 BDEDLO C#CCCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892704272 582961422 /nfs/dbraw/zinc/96/14/22/582961422.db2.gz PUICHNQUSUSNLN-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO C#CCCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892704272 582961425 /nfs/dbraw/zinc/96/14/25/582961425.db2.gz PUICHNQUSUSNLN-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO C[C@@H](NC(=O)C#CC(C)(C)C)c1[nH+]ccn1C ZINC000856280541 588866864 /nfs/dbraw/zinc/86/68/64/588866864.db2.gz SIXPLFHOLGNTSA-SNVBAGLBSA-N 1 2 233.315 1.647 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215502 583010762 /nfs/dbraw/zinc/01/07/62/583010762.db2.gz JSEQRGZAKDDTMM-WDEREUQCSA-N 1 2 232.331 1.773 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC000852215502 583010765 /nfs/dbraw/zinc/01/07/65/583010765.db2.gz JSEQRGZAKDDTMM-WDEREUQCSA-N 1 2 232.331 1.773 20 30 BDEDLO C=CCCONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000856031471 583112908 /nfs/dbraw/zinc/11/29/08/583112908.db2.gz QLOWMQKFOUXYLR-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO N#C[C@@]1(F)CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000893405538 583138390 /nfs/dbraw/zinc/13/83/90/583138390.db2.gz FKYDAADJADEHBV-JTQLQIEISA-N 1 2 240.669 1.759 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(C)nc1Cl ZINC000857013503 588882131 /nfs/dbraw/zinc/88/21/31/588882131.db2.gz SVVBSARPZXZGSH-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(C)nc1Cl ZINC000857013503 588882132 /nfs/dbraw/zinc/88/21/32/588882132.db2.gz SVVBSARPZXZGSH-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc(CC)[nH+]c(CC)n1 ZINC000893674128 583193433 /nfs/dbraw/zinc/19/34/33/583193433.db2.gz WRMMFJULPSYZEV-GFCCVEGCSA-N 1 2 247.342 1.788 20 30 BDEDLO Cn1cc(C[NH2+]CC(C)(C)C#N)c(Cl)n1 ZINC000857039228 588883685 /nfs/dbraw/zinc/88/36/85/588883685.db2.gz KXNAXIZGJYATFI-UHFFFAOYSA-N 1 2 226.711 1.713 20 30 BDEDLO CCN(CC#N)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893969866 583263558 /nfs/dbraw/zinc/26/35/58/583263558.db2.gz SLXQVMQQFKKAPE-UHFFFAOYSA-N 1 2 206.293 1.879 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878705414 583395194 /nfs/dbraw/zinc/39/51/94/583395194.db2.gz WXDPUHSPGSKBIJ-CHWSQXEVSA-N 1 2 235.327 1.422 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878705414 583395195 /nfs/dbraw/zinc/39/51/95/583395195.db2.gz WXDPUHSPGSKBIJ-CHWSQXEVSA-N 1 2 235.327 1.422 20 30 BDEDLO COC(=O)c1cc(C[NH2+]C[C@H](C)C#N)cs1 ZINC000894453706 583462047 /nfs/dbraw/zinc/46/20/47/583462047.db2.gz WYIGEMDSKLWYRF-MRVPVSSYSA-N 1 2 238.312 1.784 20 30 BDEDLO C=CCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894518858 583477027 /nfs/dbraw/zinc/47/70/27/583477027.db2.gz QTBSEZGJWQNORA-JTQLQIEISA-N 1 2 236.319 1.647 20 30 BDEDLO C=CCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894518858 583477028 /nfs/dbraw/zinc/47/70/28/583477028.db2.gz QTBSEZGJWQNORA-JTQLQIEISA-N 1 2 236.319 1.647 20 30 BDEDLO C#CC[C@@H](COC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894829788 583527385 /nfs/dbraw/zinc/52/73/85/583527385.db2.gz FJANWNMCSARSTH-MNOVXSKESA-N 1 2 234.299 1.585 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)[C@H]1CCCO1 ZINC000794498088 583601186 /nfs/dbraw/zinc/60/11/86/583601186.db2.gz JRHQXFMQQCMWGW-WDEREUQCSA-N 1 2 248.330 1.199 20 30 BDEDLO N#CC1(C[NH2+]Cc2cnc[nH]2)CCCC1 ZINC000895134070 583601639 /nfs/dbraw/zinc/60/16/39/583601639.db2.gz UUOMXRUXQLHWDS-UHFFFAOYSA-N 1 2 204.277 1.583 20 30 BDEDLO Cc1cccnc1N=NCc1cn(C)c[nH+]1 ZINC000794534425 583604274 /nfs/dbraw/zinc/60/42/74/583604274.db2.gz HVLKCKZNRVEMFL-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO COCCN(C)N=Cc1cccc2[nH+]ccn21 ZINC000794971260 583632309 /nfs/dbraw/zinc/63/23/09/583632309.db2.gz RZZMXKGGGUULLC-UHFFFAOYSA-N 1 2 232.287 1.246 20 30 BDEDLO CC1=NO[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000895304131 583645351 /nfs/dbraw/zinc/64/53/51/583645351.db2.gz GGOXAVDJHJBGFK-VIFPVBQESA-N 1 2 236.300 1.269 20 30 BDEDLO CSCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000727488773 583659769 /nfs/dbraw/zinc/65/97/69/583659769.db2.gz YXNHATRMKHPKHQ-UHFFFAOYSA-N 1 2 228.292 1.826 20 30 BDEDLO C=C(C)C[C@@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000895597265 583695616 /nfs/dbraw/zinc/69/56/16/583695616.db2.gz HGOWSXSAHNUXHG-HTAVTVPLSA-N 1 2 241.331 1.651 20 30 BDEDLO C#CC1(F)CN(Cc2c[nH+]cn2CC)C1 ZINC000895615966 583696400 /nfs/dbraw/zinc/69/64/00/583696400.db2.gz DQIGGOANVZWBHD-UHFFFAOYSA-N 1 2 207.252 1.060 20 30 BDEDLO N#C[C@@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000895648039 583699602 /nfs/dbraw/zinc/69/96/02/583699602.db2.gz IWVPOLOKNZSEMF-JTQLQIEISA-N 1 2 217.272 1.314 20 30 BDEDLO C=CC[C@H]1CC[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000895743399 583716018 /nfs/dbraw/zinc/71/60/18/583716018.db2.gz HFKFDSSLLKEWHX-RHYQMDGZSA-N 1 2 241.331 1.243 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976604 588926266 /nfs/dbraw/zinc/92/62/66/588926266.db2.gz HRSTULRNLPLTHR-SNVBAGLBSA-N 1 2 246.314 1.774 20 30 BDEDLO C#CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896345190 583795424 /nfs/dbraw/zinc/79/54/24/583795424.db2.gz FUFOZDXNWHKXFW-UHFFFAOYSA-N 1 2 219.288 1.066 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1cccc(Cl)n1 ZINC000131995665 583835667 /nfs/dbraw/zinc/83/56/67/583835667.db2.gz QZEBCHAKPGONFR-SSDOTTSWSA-N 1 2 243.694 1.559 20 30 BDEDLO Cc1[nH]c(CNC(=O)CC(C)(C)C#N)[nH+]c1C ZINC000896909953 583852614 /nfs/dbraw/zinc/85/26/14/583852614.db2.gz FIWJDWJQBMUDED-UHFFFAOYSA-N 1 2 234.303 1.583 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(F)ncc1F ZINC000897167884 583887254 /nfs/dbraw/zinc/88/72/54/583887254.db2.gz VOUBACJRHYHANM-UHFFFAOYSA-N 1 2 210.227 1.815 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(F)ncc1F ZINC000897167884 583887256 /nfs/dbraw/zinc/88/72/56/583887256.db2.gz VOUBACJRHYHANM-UHFFFAOYSA-N 1 2 210.227 1.815 20 30 BDEDLO C#Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)nc1 ZINC000728959155 583939669 /nfs/dbraw/zinc/93/96/69/583939669.db2.gz BUNJKIJKHJMMQE-UHFFFAOYSA-N 1 2 237.262 1.441 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897444608 583985411 /nfs/dbraw/zinc/98/54/11/583985411.db2.gz MJQSWJUVJNSTNA-LBPRGKRZSA-N 1 2 248.330 1.482 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897444608 583985412 /nfs/dbraw/zinc/98/54/12/583985412.db2.gz MJQSWJUVJNSTNA-LBPRGKRZSA-N 1 2 248.330 1.482 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897444608 583985413 /nfs/dbraw/zinc/98/54/13/583985413.db2.gz MJQSWJUVJNSTNA-LBPRGKRZSA-N 1 2 248.330 1.482 20 30 BDEDLO C=C(C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897444608 583985414 /nfs/dbraw/zinc/98/54/14/583985414.db2.gz MJQSWJUVJNSTNA-LBPRGKRZSA-N 1 2 248.330 1.482 20 30 BDEDLO Cc1cc(NCC#C[C@H]2CCCCO2)nc[nH+]1 ZINC000897455635 583987518 /nfs/dbraw/zinc/98/75/18/583987518.db2.gz UJSMGHJFIIDQSN-GFCCVEGCSA-N 1 2 231.299 1.769 20 30 BDEDLO C=CC[C@@H](CO)CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865656591 584026200 /nfs/dbraw/zinc/02/62/00/584026200.db2.gz QHZOYOZALFXIIH-WDEREUQCSA-N 1 2 236.315 1.731 20 30 BDEDLO CCC[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC000897834072 584052681 /nfs/dbraw/zinc/05/26/81/584052681.db2.gz GUDRMRMREXJFSI-OUAUKWLOSA-N 1 2 224.304 1.610 20 30 BDEDLO C#CC1(O)C[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000898144104 584086457 /nfs/dbraw/zinc/08/64/57/584086457.db2.gz OIJMCPFGONSGOJ-LBPRGKRZSA-N 1 2 243.306 1.233 20 30 BDEDLO C#CC1(O)C[NH+]([C@@H](C)Cc2ccsc2)C1 ZINC000898144435 584086481 /nfs/dbraw/zinc/08/64/81/584086481.db2.gz ITWVAEWGCKCCDA-JTQLQIEISA-N 1 2 221.325 1.359 20 30 BDEDLO CC[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214189 584116484 /nfs/dbraw/zinc/11/64/84/584116484.db2.gz LPJJOWNDAVCTPZ-KOLCDFICSA-N 1 2 234.299 1.685 20 30 BDEDLO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866336730 584117989 /nfs/dbraw/zinc/11/79/89/584117989.db2.gz GYFAGNCVRGYZNA-JQWIXIFHSA-N 1 2 246.310 1.851 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620441 584148068 /nfs/dbraw/zinc/14/80/68/584148068.db2.gz NOFKUPGYKJGWSC-LBPRGKRZSA-N 1 2 248.330 1.670 20 30 BDEDLO C=C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000898703158 584151880 /nfs/dbraw/zinc/15/18/80/584151880.db2.gz KQSSWJWEILVYGB-JTQLQIEISA-N 1 2 205.261 1.233 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2ccnn2C)c1 ZINC000899369345 584208321 /nfs/dbraw/zinc/20/83/21/584208321.db2.gz VRUVRSXENQSHQH-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO C=C1C[NH+](C[C@H](O)c2cccc(C)c2)C1 ZINC000899899972 584248376 /nfs/dbraw/zinc/24/83/76/584248376.db2.gz FKHPZTHBXJUXSX-ZDUSSCGKSA-N 1 2 203.285 1.900 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000899900861 584249547 /nfs/dbraw/zinc/24/95/47/584249547.db2.gz XBAHVXRRNKLDDI-CQSZACIVSA-N 1 2 247.338 1.915 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000899900860 584249625 /nfs/dbraw/zinc/24/96/25/584249625.db2.gz XBAHVXRRNKLDDI-AWEZNQCLSA-N 1 2 247.338 1.915 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2cccc(C)c2)C1 ZINC000899901055 584250342 /nfs/dbraw/zinc/25/03/42/584250342.db2.gz BROSERDOBIMQKH-CYBMUJFWSA-N 1 2 233.311 1.607 20 30 BDEDLO C#C[C@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000858616148 588971419 /nfs/dbraw/zinc/97/14/19/588971419.db2.gz ZKMOBIGUWJWBHC-NSHDSACASA-N 1 2 216.284 1.940 20 30 BDEDLO CC[C@@H](C#N)NC(=O)c1ccc(C)[nH+]c1NC ZINC000900472709 584315158 /nfs/dbraw/zinc/31/51/58/584315158.db2.gz XDTJGHHWINFAFU-VIFPVBQESA-N 1 2 232.287 1.464 20 30 BDEDLO C=CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900655428 584336259 /nfs/dbraw/zinc/33/62/59/584336259.db2.gz JNVMDVAXEROQTI-UHFFFAOYSA-N 1 2 219.288 1.377 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc(NC2CC2)[nH+]cn1 ZINC000858861559 588980059 /nfs/dbraw/zinc/98/00/59/588980059.db2.gz FBLGRIBSTIVRDQ-NSHDSACASA-N 1 2 246.314 1.501 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc(NC2CC2)nc[nH+]1 ZINC000858861559 588980060 /nfs/dbraw/zinc/98/00/60/588980060.db2.gz FBLGRIBSTIVRDQ-NSHDSACASA-N 1 2 246.314 1.501 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@H]1CCSC1 ZINC000901331473 584425270 /nfs/dbraw/zinc/42/52/70/584425270.db2.gz PJTNCQOTZNMSSB-SECBINFHSA-N 1 2 236.344 1.744 20 30 BDEDLO Cn1c[nH+]cc1/C=C1/CCn2ccnc2C1=O ZINC000901540176 584460882 /nfs/dbraw/zinc/46/08/82/584460882.db2.gz WEVAYFQVVMEOCM-TWGQIWQCSA-N 1 2 228.255 1.287 20 30 BDEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C)nn1C ZINC000901555641 584462321 /nfs/dbraw/zinc/46/23/21/584462321.db2.gz XAAVMJLKUBBEJH-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H](COC)C(C)C)C(=O)OC ZINC000901622155 584470206 /nfs/dbraw/zinc/47/02/06/584470206.db2.gz ASJQGAFMEFMLIL-MNOVXSKESA-N 1 2 229.320 1.222 20 30 BDEDLO C#CCCOC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000859058039 588994892 /nfs/dbraw/zinc/99/48/92/588994892.db2.gz OTGPBJHGOUSABK-LLVKDONJSA-N 1 2 247.298 1.749 20 30 BDEDLO CN(C)c1ccc(Cn2cc(C#N)cn2)c[nH+]1 ZINC000902382092 584576558 /nfs/dbraw/zinc/57/65/58/584576558.db2.gz QWVOMFQZZPYVQM-UHFFFAOYSA-N 1 2 227.271 1.264 20 30 BDEDLO C#CCOCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781457 584670459 /nfs/dbraw/zinc/67/04/59/584670459.db2.gz UTUWJMSONMRAHW-UHFFFAOYSA-N 1 2 230.267 1.602 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccnc(F)c1 ZINC000859114811 589003656 /nfs/dbraw/zinc/00/36/56/589003656.db2.gz NOHFLYXSLIWHDE-SECBINFHSA-N 1 2 207.252 1.812 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859114811 589003658 /nfs/dbraw/zinc/00/36/58/589003658.db2.gz NOHFLYXSLIWHDE-SECBINFHSA-N 1 2 207.252 1.812 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903002309 584716197 /nfs/dbraw/zinc/71/61/97/584716197.db2.gz AEKZGFZEAWXFFA-GFCCVEGCSA-N 1 2 242.338 1.845 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903002309 584716198 /nfs/dbraw/zinc/71/61/98/584716198.db2.gz AEKZGFZEAWXFFA-GFCCVEGCSA-N 1 2 242.338 1.845 20 30 BDEDLO CC(C)(C#N)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000903101585 584727496 /nfs/dbraw/zinc/72/74/96/584727496.db2.gz JJALOBIYGCSRDC-SNVBAGLBSA-N 1 2 218.304 1.857 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccnc(F)c1 ZINC000859163421 589012140 /nfs/dbraw/zinc/01/21/40/589012140.db2.gz LFIVXXLZPVQZNY-VIFPVBQESA-N 1 2 207.252 1.955 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccnc(F)c1 ZINC000859163421 589012141 /nfs/dbraw/zinc/01/21/41/589012141.db2.gz LFIVXXLZPVQZNY-VIFPVBQESA-N 1 2 207.252 1.955 20 30 BDEDLO CCCCN(O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000904209942 584847938 /nfs/dbraw/zinc/84/79/38/584847938.db2.gz BFFOMHMXESHRJX-UHFFFAOYSA-N 1 2 233.271 1.966 20 30 BDEDLO Fc1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000731318762 584924834 /nfs/dbraw/zinc/92/48/34/584924834.db2.gz OMJMUONLTCCEKP-UHFFFAOYSA-N 1 2 205.196 1.390 20 30 BDEDLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)C#N)c1C ZINC000733892453 584954614 /nfs/dbraw/zinc/95/46/14/584954614.db2.gz CHZGRTHLXGPAIM-QMMMGPOBSA-N 1 2 247.298 1.483 20 30 BDEDLO COc1cc(C)[nH+]c(COC(=O)C#CC2CC2)c1 ZINC000838367762 585055040 /nfs/dbraw/zinc/05/50/40/585055040.db2.gz RKDCPWQLAOTLEU-UHFFFAOYSA-N 1 2 245.278 1.855 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000839131196 585093559 /nfs/dbraw/zinc/09/35/59/585093559.db2.gz PAPFTCBBBUAHEW-UHFFFAOYSA-N 1 2 201.269 1.499 20 30 BDEDLO C#CC[C@@H]([NH2+]CC1CCCCC1)C(=O)OC ZINC000839167522 585095472 /nfs/dbraw/zinc/09/54/72/585095472.db2.gz FGNFVRIDMRXACJ-GFCCVEGCSA-N 1 2 223.316 1.721 20 30 BDEDLO C#CC[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000839168208 585095564 /nfs/dbraw/zinc/09/55/64/585095564.db2.gz KIYRHKWHCZARGZ-JTQLQIEISA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C(=O)OC ZINC000839168181 585095624 /nfs/dbraw/zinc/09/56/24/585095624.db2.gz KCFVFVNEIPNBRP-MNOVXSKESA-N 1 2 225.332 1.823 20 30 BDEDLO C#CC[C@H]([NH2+]C1CC(C(C)C)C1)C(=O)OC ZINC000839168146 585095701 /nfs/dbraw/zinc/09/57/01/585095701.db2.gz JQBQJEPQOYYVEP-MCIGGMRASA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OC ZINC000839168058 585095757 /nfs/dbraw/zinc/09/57/57/585095757.db2.gz JIHSUJSAOPJIDR-GFCCVEGCSA-N 1 2 235.327 1.864 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000839168182 585095800 /nfs/dbraw/zinc/09/58/00/585095800.db2.gz KCFVFVNEIPNBRP-QWRGUYRKSA-N 1 2 225.332 1.823 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)C(=O)OC ZINC000839170118 585095952 /nfs/dbraw/zinc/09/59/52/585095952.db2.gz XNQQBXKWZBCVNT-DCAQKATOSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+]CC1(SC)CCC1)C(=O)OC ZINC000839169675 585096205 /nfs/dbraw/zinc/09/62/05/585096205.db2.gz UZOUAQFWIHANLO-SNVBAGLBSA-N 1 2 241.356 1.427 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C(=O)OC ZINC000839170456 585096340 /nfs/dbraw/zinc/09/63/40/585096340.db2.gz ZTLYRRNCKIUDNX-UTUOFQBUSA-N 1 2 239.315 1.099 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000839186589 585097056 /nfs/dbraw/zinc/09/70/56/585097056.db2.gz LGDXXUQGCUISPI-CQSZACIVSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000839186589 585097057 /nfs/dbraw/zinc/09/70/57/585097057.db2.gz LGDXXUQGCUISPI-CQSZACIVSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000839188227 585097158 /nfs/dbraw/zinc/09/71/58/585097158.db2.gz ANKFVNVUYVHLSA-GFCCVEGCSA-N 1 2 235.258 1.365 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000839188227 585097159 /nfs/dbraw/zinc/09/71/59/585097159.db2.gz ANKFVNVUYVHLSA-GFCCVEGCSA-N 1 2 235.258 1.365 20 30 BDEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ncc[nH]2)c1 ZINC000742381711 585125292 /nfs/dbraw/zinc/12/52/92/585125292.db2.gz FHSUESYMJAURTN-UHFFFAOYSA-N 1 2 230.246 1.710 20 30 BDEDLO N#Cc1ccc(F)c(CNCc2[nH]cc[nH+]2)c1 ZINC000742381711 585125293 /nfs/dbraw/zinc/12/52/93/585125293.db2.gz FHSUESYMJAURTN-UHFFFAOYSA-N 1 2 230.246 1.710 20 30 BDEDLO Cc1ncc(CO)c(/C=[NH+]\CCC2CC2)c1O ZINC000743044811 585133575 /nfs/dbraw/zinc/13/35/75/585133575.db2.gz RMWHFKSMBQVYAD-AUWJEWJLSA-N 1 2 234.299 1.807 20 30 BDEDLO C=CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000746219525 585165928 /nfs/dbraw/zinc/16/59/28/585165928.db2.gz UPJGYYWTUOKEEN-UHFFFAOYSA-N 1 2 207.277 1.306 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)c1ccc(C#N)cc1 ZINC000747782683 585184414 /nfs/dbraw/zinc/18/44/14/585184414.db2.gz QMJMMQHNCGUNJU-UHFFFAOYSA-N 1 2 241.250 1.649 20 30 BDEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748831823 585196981 /nfs/dbraw/zinc/19/69/81/585196981.db2.gz BWZXGIONWPDSRR-ZDUSSCGKSA-N 1 2 246.285 1.322 20 30 BDEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748831823 585196982 /nfs/dbraw/zinc/19/69/82/585196982.db2.gz BWZXGIONWPDSRR-ZDUSSCGKSA-N 1 2 246.285 1.322 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000749389000 585202012 /nfs/dbraw/zinc/20/20/12/585202012.db2.gz FCUFJWDREBFESP-ZDUSSCGKSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750393171 585214166 /nfs/dbraw/zinc/21/41/66/585214166.db2.gz WLFVSJLANSDUFT-UHFFFAOYSA-N 1 2 232.287 1.211 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H]1COc2ccccc2O1 ZINC000752077056 585241508 /nfs/dbraw/zinc/24/15/08/585241508.db2.gz YZHSYFYDQJJFPS-CYBMUJFWSA-N 1 2 241.290 1.395 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc(C)s1 ZINC000752414883 585245690 /nfs/dbraw/zinc/24/56/90/585245690.db2.gz YWUNHQLJFZJQFV-JTQLQIEISA-N 1 2 249.339 1.488 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(C)s1 ZINC000752414883 585245691 /nfs/dbraw/zinc/24/56/91/585245691.db2.gz YWUNHQLJFZJQFV-JTQLQIEISA-N 1 2 249.339 1.488 20 30 BDEDLO C#CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000753942506 585272740 /nfs/dbraw/zinc/27/27/40/585272740.db2.gz IWLQYWIBMXSABB-UHFFFAOYSA-N 1 2 243.310 1.321 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754023482 585275464 /nfs/dbraw/zinc/27/54/64/585275464.db2.gz DIVBUFNQSLGDPA-LLVKDONJSA-N 1 2 232.331 1.739 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754023482 585275465 /nfs/dbraw/zinc/27/54/65/585275465.db2.gz DIVBUFNQSLGDPA-LLVKDONJSA-N 1 2 232.331 1.739 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1cc(C)nc(C)n1 ZINC000755649414 585303018 /nfs/dbraw/zinc/30/30/18/585303018.db2.gz WXUZDPCMBOIUIV-UHFFFAOYSA-N 1 2 244.302 1.756 20 30 BDEDLO c1[nH+]c2ccccn2c1CN=Nc1cccnn1 ZINC000755734728 585305241 /nfs/dbraw/zinc/30/52/41/585305241.db2.gz ZTCWQTBRGKOYJA-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO C#CCCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000759176310 585364961 /nfs/dbraw/zinc/36/49/61/585364961.db2.gz OOJWMYYVAORVAO-UHFFFAOYSA-N 1 2 246.310 1.994 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2(CCC)CCC2)CC1 ZINC000759219275 585365740 /nfs/dbraw/zinc/36/57/40/585365740.db2.gz WWASLYVXBSMUSV-UHFFFAOYSA-N 1 2 248.370 1.734 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cc(F)ccc1O ZINC000790299503 585383098 /nfs/dbraw/zinc/38/30/98/585383098.db2.gz CTSOIELDKIBPLP-UHFFFAOYSA-N 1 2 234.234 1.711 20 30 BDEDLO C#CCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000760307753 585389790 /nfs/dbraw/zinc/38/97/90/585389790.db2.gz SDSCOGFFRMYNOH-UHFFFAOYSA-N 1 2 205.261 1.172 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cnn2ccccc12 ZINC000790300308 585396234 /nfs/dbraw/zinc/39/62/34/585396234.db2.gz UBYQTDLGHYNVCR-UHFFFAOYSA-N 1 2 240.270 1.514 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1cscn1 ZINC000761107301 585409961 /nfs/dbraw/zinc/40/99/61/585409961.db2.gz DAZPZYYUYNHGOE-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1cscn1 ZINC000761107301 585409962 /nfs/dbraw/zinc/40/99/62/585409962.db2.gz DAZPZYYUYNHGOE-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1nccn1C(F)F ZINC000761111391 585410198 /nfs/dbraw/zinc/41/01/98/585410198.db2.gz XWICMASFFJAVPY-UHFFFAOYSA-N 1 2 243.257 1.360 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1nccn1C(F)F ZINC000761111391 585410199 /nfs/dbraw/zinc/41/01/99/585410199.db2.gz XWICMASFFJAVPY-UHFFFAOYSA-N 1 2 243.257 1.360 20 30 BDEDLO NC(=O)[C@@H]1CCC[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000764412335 585465200 /nfs/dbraw/zinc/46/52/00/585465200.db2.gz BBOYZWPFJNATLL-GALQHCSPSA-N 1 2 246.310 1.855 20 30 BDEDLO C#CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000765830985 585493101 /nfs/dbraw/zinc/49/31/01/585493101.db2.gz XRJWBUFWFJNIKW-LLVKDONJSA-N 1 2 248.351 1.587 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000767692764 585524910 /nfs/dbraw/zinc/52/49/10/585524910.db2.gz YANXYUCLCUSJHJ-LBPRGKRZSA-N 1 2 241.331 1.464 20 30 BDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C/C=C/Cl)CC1 ZINC000767898926 585527879 /nfs/dbraw/zinc/52/78/79/585527879.db2.gz ILFPJBFFIKFCJW-AAOUONPWSA-N 1 2 241.766 1.905 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000769960898 585566227 /nfs/dbraw/zinc/56/62/27/585566227.db2.gz CRGKOLJAQRVNCE-SECBINFHSA-N 1 2 221.304 1.821 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000769960898 585566228 /nfs/dbraw/zinc/56/62/28/585566228.db2.gz CRGKOLJAQRVNCE-SECBINFHSA-N 1 2 221.304 1.821 20 30 BDEDLO C[C@@H](CO)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000769894549 585566261 /nfs/dbraw/zinc/56/62/61/585566261.db2.gz UTMXRHKSNCAIIO-MNOVXSKESA-N 1 2 210.321 1.629 20 30 BDEDLO C[C@@H](CO)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000769894549 585566262 /nfs/dbraw/zinc/56/62/62/585566262.db2.gz UTMXRHKSNCAIIO-MNOVXSKESA-N 1 2 210.321 1.629 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000769975832 585568225 /nfs/dbraw/zinc/56/82/25/585568225.db2.gz MPTNBBRNADWNDN-JTQLQIEISA-N 1 2 241.294 1.789 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000769975832 585568226 /nfs/dbraw/zinc/56/82/26/585568226.db2.gz MPTNBBRNADWNDN-JTQLQIEISA-N 1 2 241.294 1.789 20 30 BDEDLO CC(C)c1nccnc1N=NCc1[nH+]ccn1C ZINC000773090922 585631062 /nfs/dbraw/zinc/63/10/62/585631062.db2.gz KOUQFXGPIFNTAS-UHFFFAOYSA-N 1 2 244.302 1.780 20 30 BDEDLO CC(C)c1nccnc1N=NCc1[nH]cc[nH+]1 ZINC000773095273 585631381 /nfs/dbraw/zinc/63/13/81/585631381.db2.gz WKUVXUMISOEFFM-UHFFFAOYSA-N 1 2 230.275 1.769 20 30 BDEDLO CC1(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CCC1 ZINC000774888610 585668570 /nfs/dbraw/zinc/66/85/70/585668570.db2.gz RKTAWQHXIRJANV-CYBMUJFWSA-N 1 2 233.359 1.849 20 30 BDEDLO CC1(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CCC1 ZINC000774888610 585668571 /nfs/dbraw/zinc/66/85/71/585668571.db2.gz RKTAWQHXIRJANV-CYBMUJFWSA-N 1 2 233.359 1.849 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccn1CC)[C@@H]1CCCO1 ZINC000775343878 585676229 /nfs/dbraw/zinc/67/62/29/585676229.db2.gz ZBAHYPCFPNDXAH-NEPJUHHUSA-N 1 2 233.315 1.173 20 30 BDEDLO C#C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000775387529 585676924 /nfs/dbraw/zinc/67/69/24/585676924.db2.gz BGWAMMJALKWPQA-NSHDSACASA-N 1 2 241.294 1.323 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncc(CC)o1)[C@H]1CCCO1 ZINC000775797833 585685225 /nfs/dbraw/zinc/68/52/25/585685225.db2.gz FGDWAEGHWPQEBA-NWDGAFQWSA-N 1 2 234.299 1.507 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccn1C(C)C)[C@@H]1CCCO1 ZINC000775800500 585685526 /nfs/dbraw/zinc/68/55/26/585685526.db2.gz SRPLJADHROYLAH-STQMWFEESA-N 1 2 247.342 1.734 20 30 BDEDLO COCCON=CCCc1c[nH+]ccc1C ZINC000776726942 585703596 /nfs/dbraw/zinc/70/35/96/585703596.db2.gz WEYBUWUORFQQCN-UHFFFAOYSA-N 1 2 222.288 1.971 20 30 BDEDLO N#CCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000776894000 585706768 /nfs/dbraw/zinc/70/67/68/585706768.db2.gz PGBRPCJDIPBFEV-UHFFFAOYSA-N 1 2 242.282 1.758 20 30 BDEDLO C=CCCOCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777454084 585712448 /nfs/dbraw/zinc/71/24/48/585712448.db2.gz HIQWWFNQVVHFRD-NSHDSACASA-N 1 2 249.314 1.666 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000778985754 585743414 /nfs/dbraw/zinc/74/34/14/585743414.db2.gz VVOCRIHKEHWQBE-SECBINFHSA-N 1 2 243.738 1.442 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1ncc(Cl)n1C ZINC000778985754 585743415 /nfs/dbraw/zinc/74/34/15/585743415.db2.gz VVOCRIHKEHWQBE-SECBINFHSA-N 1 2 243.738 1.442 20 30 BDEDLO C[NH+](C)[C@H](C(=O)OCC#N)c1ccccc1 ZINC000780087588 585772544 /nfs/dbraw/zinc/77/25/44/585772544.db2.gz CHSSBKYAYBIOKM-NSHDSACASA-N 1 2 218.256 1.356 20 30 BDEDLO COC(C[N@H+](C[C@@H](C)C#N)C1CC1)OC ZINC000781905220 585805206 /nfs/dbraw/zinc/80/52/06/585805206.db2.gz WINGQUITYMPUNG-VIFPVBQESA-N 1 2 212.293 1.229 20 30 BDEDLO COC(C[N@@H+](C[C@@H](C)C#N)C1CC1)OC ZINC000781905220 585805207 /nfs/dbraw/zinc/80/52/07/585805207.db2.gz WINGQUITYMPUNG-VIFPVBQESA-N 1 2 212.293 1.229 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000782174294 585809468 /nfs/dbraw/zinc/80/94/68/585809468.db2.gz FMXDOPLCFMGLJF-NSHDSACASA-N 1 2 232.331 1.882 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000782174294 585809469 /nfs/dbraw/zinc/80/94/69/585809469.db2.gz FMXDOPLCFMGLJF-NSHDSACASA-N 1 2 232.331 1.882 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000782174291 585809498 /nfs/dbraw/zinc/80/94/98/585809498.db2.gz FMXDOPLCFMGLJF-LLVKDONJSA-N 1 2 232.331 1.882 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000782174291 585809499 /nfs/dbraw/zinc/80/94/99/585809499.db2.gz FMXDOPLCFMGLJF-LLVKDONJSA-N 1 2 232.331 1.882 20 30 BDEDLO Oc1cccc(/C=[NH+]/CCCn2ccnn2)c1O ZINC000783685631 585840099 /nfs/dbraw/zinc/84/00/99/585840099.db2.gz QCZCWWDKOPVBIE-UKTHLTGXSA-N 1 2 246.270 1.199 20 30 BDEDLO CC1(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000787178829 585902606 /nfs/dbraw/zinc/90/26/06/585902606.db2.gz PKAFQBBYLYLYAT-GFCCVEGCSA-N 1 2 219.332 1.459 20 30 BDEDLO CC1(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000787178829 585902607 /nfs/dbraw/zinc/90/26/07/585902607.db2.gz PKAFQBBYLYLYAT-GFCCVEGCSA-N 1 2 219.332 1.459 20 30 BDEDLO Cc1cc(C(=O)/C=C/c2cn(C)c[nH+]2)n(C)n1 ZINC000789158185 585936018 /nfs/dbraw/zinc/93/60/18/585936018.db2.gz CILOBYRXJUWPHC-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO Cc1cc(C(=O)/C=C\c2cn(C)c[nH+]2)n(C)n1 ZINC000789158184 585936039 /nfs/dbraw/zinc/93/60/39/585936039.db2.gz CILOBYRXJUWPHC-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO Cc1nc(C#N)c(N=NC(C)c2[nH]cc[nH+]2)o1 ZINC000790158315 585958740 /nfs/dbraw/zinc/95/87/40/585958740.db2.gz WGIXQEJBLYJQAJ-UHFFFAOYSA-N 1 2 230.231 1.414 20 30 BDEDLO Cc1ccc(N=NC(C)c2[nH]cc[nH+]2)nc1 ZINC000790162297 585958915 /nfs/dbraw/zinc/95/89/15/585958915.db2.gz PFPPYTDOKPVKKP-UHFFFAOYSA-N 1 2 215.260 1.949 20 30 BDEDLO CC(N=Nc1nc2ccccn2n1)c1[nH]cc[nH+]1 ZINC000790198362 585961246 /nfs/dbraw/zinc/96/12/46/585961246.db2.gz UNNHBMVSVGOMST-UHFFFAOYSA-N 1 2 241.258 1.289 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)ccn1 ZINC000792229261 585998312 /nfs/dbraw/zinc/99/83/12/585998312.db2.gz QCKQOSKHHFSBFA-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(C)ccn1 ZINC000792229261 585998313 /nfs/dbraw/zinc/99/83/13/585998313.db2.gz QCKQOSKHHFSBFA-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nonc1C ZINC000792405654 586000235 /nfs/dbraw/zinc/00/02/35/586000235.db2.gz ALFRIGASRBHZJP-UHFFFAOYSA-N 1 2 211.265 1.012 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nonc1C ZINC000792405654 586000236 /nfs/dbraw/zinc/00/02/36/586000236.db2.gz ALFRIGASRBHZJP-UHFFFAOYSA-N 1 2 211.265 1.012 20 30 BDEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000792470809 586000800 /nfs/dbraw/zinc/00/08/00/586000800.db2.gz OUIXGQSJCJEWMU-VHSXEESVSA-N 1 2 233.319 1.461 20 30 BDEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000792470806 586000920 /nfs/dbraw/zinc/00/09/20/586000920.db2.gz OUIXGQSJCJEWMU-UWVGGRQHSA-N 1 2 233.319 1.461 20 30 BDEDLO C=CCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792875642 586006032 /nfs/dbraw/zinc/00/60/32/586006032.db2.gz NHPLPTWLMQJZHT-UHFFFAOYSA-N 1 2 221.275 1.905 20 30 BDEDLO C[C@H]([NH2+]NC1=CC(=O)N2CCC[C@H]12)C(C)(C)C ZINC000793116937 586010965 /nfs/dbraw/zinc/01/09/65/586010965.db2.gz VSSADHXYWVUNMR-GXSJLCMTSA-N 1 2 237.347 1.761 20 30 BDEDLO C#CCCCCC(=O)OCCc1c[nH+]cn1C ZINC000793252902 586015049 /nfs/dbraw/zinc/01/50/49/586015049.db2.gz KPEZFJPRLNBGTA-UHFFFAOYSA-N 1 2 234.299 1.699 20 30 BDEDLO Cc1ccc2c(N[NH2+]CCCO)csc2c1 ZINC000797786536 586131370 /nfs/dbraw/zinc/13/13/70/586131370.db2.gz AFZUFMWSDSVFEG-UHFFFAOYSA-N 1 2 236.340 1.777 20 30 BDEDLO C=CC[N@H+](Cc1nnc2n1CCOC2)C(C)C ZINC000797949466 586134636 /nfs/dbraw/zinc/13/46/36/586134636.db2.gz UGMZWYPSABKBBP-UHFFFAOYSA-N 1 2 236.319 1.205 20 30 BDEDLO C=CC[N@@H+](Cc1nnc2n1CCOC2)C(C)C ZINC000797949466 586134637 /nfs/dbraw/zinc/13/46/37/586134637.db2.gz UGMZWYPSABKBBP-UHFFFAOYSA-N 1 2 236.319 1.205 20 30 BDEDLO N#CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799189891 586166292 /nfs/dbraw/zinc/16/62/92/586166292.db2.gz IFSLZLURLFEBHI-NSHDSACASA-N 1 2 201.273 1.785 20 30 BDEDLO N#CCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799189891 586166294 /nfs/dbraw/zinc/16/62/94/586166294.db2.gz IFSLZLURLFEBHI-NSHDSACASA-N 1 2 201.273 1.785 20 30 BDEDLO CCC(CC)[NH2+]NC1=CC(=O)N2CCCC[C@H]12 ZINC000799480659 586178551 /nfs/dbraw/zinc/17/85/51/586178551.db2.gz PWTOMFMABLEWIM-GFCCVEGCSA-N 1 2 237.347 1.905 20 30 BDEDLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1C#N ZINC000799636147 586187466 /nfs/dbraw/zinc/18/74/66/586187466.db2.gz IBYZWCPQVYEWEL-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1C#N ZINC000799636147 586187468 /nfs/dbraw/zinc/18/74/68/586187468.db2.gz IBYZWCPQVYEWEL-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)[C@H]1CCCO1 ZINC000800490830 586222682 /nfs/dbraw/zinc/22/26/82/586222682.db2.gz ORHDUTKVMNTTOG-SGMGOOAPSA-N 1 2 247.342 1.560 20 30 BDEDLO Cc1nn(C)cc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800794074 586229041 /nfs/dbraw/zinc/22/90/41/586229041.db2.gz VMCPRMWTPVYKLP-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO C[C@H](C#N)OCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000801916827 586276994 /nfs/dbraw/zinc/27/69/94/586276994.db2.gz GIXQICPXBYAIGX-SNVBAGLBSA-N 1 2 242.319 1.189 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000801916827 586276996 /nfs/dbraw/zinc/27/69/96/586276996.db2.gz GIXQICPXBYAIGX-SNVBAGLBSA-N 1 2 242.319 1.189 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1ccon1 ZINC000801922038 586277899 /nfs/dbraw/zinc/27/78/99/586277899.db2.gz DLSGVUGILXUTLW-VIFPVBQESA-N 1 2 209.249 1.035 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccon1 ZINC000801922038 586277901 /nfs/dbraw/zinc/27/79/01/586277901.db2.gz DLSGVUGILXUTLW-VIFPVBQESA-N 1 2 209.249 1.035 20 30 BDEDLO CCC(CC)([NH2+]CCO[C@@H](C)C#N)C(=O)OC ZINC000801941705 586280631 /nfs/dbraw/zinc/28/06/31/586280631.db2.gz UHVRKSZODZBDSF-JTQLQIEISA-N 1 2 242.319 1.236 20 30 BDEDLO C#CCOCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000806538308 586414071 /nfs/dbraw/zinc/41/40/71/586414071.db2.gz CMTXVJGMYOKNQI-UHFFFAOYSA-N 1 2 247.298 1.470 20 30 BDEDLO C=CCCO[C@@H](C)c1nc(C[NH2+]CC)no1 ZINC000843145631 586445664 /nfs/dbraw/zinc/44/56/64/586445664.db2.gz PAMQPALMZVEQEQ-VIFPVBQESA-N 1 2 225.292 1.833 20 30 BDEDLO CC1(C)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000808149464 586464854 /nfs/dbraw/zinc/46/48/54/586464854.db2.gz GHQLQZCLMUSXQO-UHFFFAOYSA-N 1 2 235.331 1.438 20 30 BDEDLO C#CCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000840268758 586586712 /nfs/dbraw/zinc/58/67/12/586586712.db2.gz HWVRKEGNBINLCZ-UHFFFAOYSA-N 1 2 216.288 1.876 20 30 BDEDLO C#CCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000840268758 586586713 /nfs/dbraw/zinc/58/67/13/586586713.db2.gz HWVRKEGNBINLCZ-UHFFFAOYSA-N 1 2 216.288 1.876 20 30 BDEDLO C#CCC[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000840298036 586606692 /nfs/dbraw/zinc/60/66/92/586606692.db2.gz RFQIZZFOGZXDJW-NSHDSACASA-N 1 2 246.314 1.237 20 30 BDEDLO C#CCC[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000840298036 586606693 /nfs/dbraw/zinc/60/66/93/586606693.db2.gz RFQIZZFOGZXDJW-NSHDSACASA-N 1 2 246.314 1.237 20 30 BDEDLO Cn1cc(C=[NH+]NCc2ccccc2)c(=O)[nH]1 ZINC000814215972 586617744 /nfs/dbraw/zinc/61/77/44/586617744.db2.gz XVVJMGUDWNXAFX-UHFFFAOYSA-N 1 2 230.271 1.249 20 30 BDEDLO Cn1cc(C=[NH+]Nc2ccc(C#N)cc2)c(=O)[nH]1 ZINC000814218419 586618153 /nfs/dbraw/zinc/61/81/53/586618153.db2.gz NVKWETFDUIDCQW-UHFFFAOYSA-N 1 2 241.254 1.443 20 30 BDEDLO C=C[C@H](O)C(=O)OCc1ccc(C)[nH+]c1C ZINC000814547212 586624527 /nfs/dbraw/zinc/62/45/27/586624527.db2.gz UYGIXMTTYLVWLS-NSHDSACASA-N 1 2 221.256 1.289 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000815282922 586677352 /nfs/dbraw/zinc/67/73/52/586677352.db2.gz DZXLSNFSFVIYMX-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000815282922 586677354 /nfs/dbraw/zinc/67/73/54/586677354.db2.gz DZXLSNFSFVIYMX-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO N#Cc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816856364 586768313 /nfs/dbraw/zinc/76/83/13/586768313.db2.gz FQHHZCSQMOEAPG-UHFFFAOYSA-N 1 2 240.266 1.140 20 30 BDEDLO Nc1cnccc1C=[NH+]OCCC(F)(F)F ZINC000819809298 586996407 /nfs/dbraw/zinc/99/64/07/586996407.db2.gz DWEVXUDCQGNEKL-UHFFFAOYSA-N 1 2 233.193 1.967 20 30 BDEDLO CC(C)OCCNN=Cc1c[nH+]cn1C(C)C ZINC000819811980 586997144 /nfs/dbraw/zinc/99/71/44/586997144.db2.gz GSUKWEFZHXXECO-UHFFFAOYSA-N 1 2 238.335 1.813 20 30 BDEDLO Cc1cc(NCC2(C)OCCCO2)c(C#N)c[nH+]1 ZINC000819932010 587003633 /nfs/dbraw/zinc/00/36/33/587003633.db2.gz ZJYYDHYSOSPDRK-UHFFFAOYSA-N 1 2 247.298 1.249 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000820435461 587048859 /nfs/dbraw/zinc/04/88/59/587048859.db2.gz JJECSZJZRXLOOP-GHMZBOCLSA-N 1 2 246.314 1.668 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820521020 587052563 /nfs/dbraw/zinc/05/25/63/587052563.db2.gz NDFWHSTVDCPXTG-WAYWQWQTSA-N 1 2 246.314 1.441 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000822472629 587170249 /nfs/dbraw/zinc/17/02/49/587170249.db2.gz MJZIJSPYZDPPCT-NSHDSACASA-N 1 2 241.294 1.736 20 30 BDEDLO C#C[C@@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)C(C)(C)C ZINC000822959624 587195472 /nfs/dbraw/zinc/19/54/72/587195472.db2.gz POMAFMIXEKLRPO-LLVKDONJSA-N 1 2 247.342 1.679 20 30 BDEDLO N#CCCOCC[N@@H+]1Cc2cccnc2C1 ZINC000822996564 587197058 /nfs/dbraw/zinc/19/70/58/587197058.db2.gz NXIVTDWHSJTWQG-UHFFFAOYSA-N 1 2 217.272 1.327 20 30 BDEDLO N#CCCOCC[N@H+]1Cc2cccnc2C1 ZINC000822996564 587197059 /nfs/dbraw/zinc/19/70/59/587197059.db2.gz NXIVTDWHSJTWQG-UHFFFAOYSA-N 1 2 217.272 1.327 20 30 BDEDLO C=CCCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823038550 587199016 /nfs/dbraw/zinc/19/90/16/587199016.db2.gz IUIXFJPGRVKCJV-UHFFFAOYSA-N 1 2 248.330 1.020 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000823793819 587240596 /nfs/dbraw/zinc/24/05/96/587240596.db2.gz TTYJTJRCKLFWQL-UWVGGRQHSA-N 1 2 234.303 1.144 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn2c1CCC2 ZINC000824830226 587289196 /nfs/dbraw/zinc/28/91/96/587289196.db2.gz NTYLIETYYOKEGA-UHFFFAOYSA-N 1 2 227.311 1.288 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn2c1CCC2 ZINC000824830226 587289197 /nfs/dbraw/zinc/28/91/97/587289197.db2.gz NTYLIETYYOKEGA-UHFFFAOYSA-N 1 2 227.311 1.288 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000826005590 587348077 /nfs/dbraw/zinc/34/80/77/587348077.db2.gz JNCHDCPDYCUSTM-ITDFMYJTSA-N 1 2 244.298 1.195 20 30 BDEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC000826075242 587350423 /nfs/dbraw/zinc/35/04/23/587350423.db2.gz QJTXDADCLPEEDH-VXGBXAGGSA-N 1 2 247.342 1.947 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000826534131 587354019 /nfs/dbraw/zinc/35/40/19/587354019.db2.gz DADWGSGEMWHEDH-LBPRGKRZSA-N 1 2 244.342 1.848 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000826534131 587354020 /nfs/dbraw/zinc/35/40/20/587354020.db2.gz DADWGSGEMWHEDH-LBPRGKRZSA-N 1 2 244.342 1.848 20 30 BDEDLO C[C@@H](O)c1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000826991295 587367262 /nfs/dbraw/zinc/36/72/62/587367262.db2.gz ZAAZOVUVAXOBEN-MRVPVSSYSA-N 1 2 237.328 1.542 20 30 BDEDLO Cc1nn(C)c(Cl)c1C[NH+]1CC(CC#N)C1 ZINC000826991294 587367416 /nfs/dbraw/zinc/36/74/16/587367416.db2.gz YZZZNULAAHKQNJ-UHFFFAOYSA-N 1 2 238.722 1.727 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000827634105 587393890 /nfs/dbraw/zinc/39/38/90/587393890.db2.gz JBRZRJUTQQZRDJ-NXEZZACHSA-N 1 2 231.299 1.052 20 30 BDEDLO CC(C)C#CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000828613269 587454167 /nfs/dbraw/zinc/45/41/67/587454167.db2.gz BUVGNOZWGMBHHO-UHFFFAOYSA-N 1 2 247.342 1.815 20 30 BDEDLO C#CCCCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829418130 587496599 /nfs/dbraw/zinc/49/65/99/587496599.db2.gz YBTRQBANAXTWOF-UHFFFAOYSA-N 1 2 246.314 1.071 20 30 BDEDLO C#CCCCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829418130 587496601 /nfs/dbraw/zinc/49/66/01/587496601.db2.gz YBTRQBANAXTWOF-UHFFFAOYSA-N 1 2 246.314 1.071 20 30 BDEDLO C=C1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000830980759 587579594 /nfs/dbraw/zinc/57/95/94/587579594.db2.gz WUKOUUHMPPITQF-UHFFFAOYSA-N 1 2 233.315 1.815 20 30 BDEDLO C=C1CCC(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000830980759 587579595 /nfs/dbraw/zinc/57/95/95/587579595.db2.gz WUKOUUHMPPITQF-UHFFFAOYSA-N 1 2 233.315 1.815 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000834386355 587754007 /nfs/dbraw/zinc/75/40/07/587754007.db2.gz USGCBFRONFLTKN-NXEZZACHSA-N 1 2 231.299 1.043 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000834386355 587754008 /nfs/dbraw/zinc/75/40/08/587754008.db2.gz USGCBFRONFLTKN-NXEZZACHSA-N 1 2 231.299 1.043 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000834658921 587763082 /nfs/dbraw/zinc/76/30/82/587763082.db2.gz AKPZVRZYDVPLNB-SNVBAGLBSA-N 1 2 219.288 1.519 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nccn1CC)[C@@H]1CCCO1 ZINC000834768238 587766407 /nfs/dbraw/zinc/76/64/07/587766407.db2.gz ABVSMZHVHQQBHE-AGIUHOORSA-N 1 2 247.342 1.734 20 30 BDEDLO C#C[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000836407145 587832643 /nfs/dbraw/zinc/83/26/43/587832643.db2.gz NGZQUHJTNHIQNT-NXEZZACHSA-N 1 2 234.303 1.285 20 30 BDEDLO C#CCOCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000837105163 587854257 /nfs/dbraw/zinc/85/42/57/587854257.db2.gz QRTRTMROPVDAGA-UHFFFAOYSA-N 1 2 246.310 1.355 20 30 BDEDLO O=C(C#CC1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000837391267 587870172 /nfs/dbraw/zinc/87/01/72/587870172.db2.gz QHNXFKMPBAXAGJ-UHFFFAOYSA-N 1 2 242.278 1.085 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)[C@@H]1CCCO1 ZINC000840744972 587919101 /nfs/dbraw/zinc/91/91/01/587919101.db2.gz BHLTZSJTDZEJEJ-GVXVVHGQSA-N 1 2 233.315 1.252 20 30 BDEDLO C#CCNC(=S)N[C@@H](C)c1[nH+]ccn1CC ZINC000840809458 587922694 /nfs/dbraw/zinc/92/26/94/587922694.db2.gz HAJSAGNNJIXNMY-VIFPVBQESA-N 1 2 236.344 1.061 20 30 BDEDLO CCON=CC(C)(C)[NH+]1CCOCC1 ZINC000841615958 587960334 /nfs/dbraw/zinc/96/03/34/587960334.db2.gz IBDFYPPOMZBSEM-UHFFFAOYSA-N 1 2 200.282 1.120 20 30 BDEDLO CCn1c[nH+]cc1C=NNCCc1ccncc1 ZINC000841636847 587964124 /nfs/dbraw/zinc/96/41/24/587964124.db2.gz OAAGVUPYHGFNHW-UHFFFAOYSA-N 1 2 243.314 1.464 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@@H](C)C(F)(F)F ZINC000841641844 587965629 /nfs/dbraw/zinc/96/56/29/587965629.db2.gz XFMGFNGRSLNECO-ZETCQYMHSA-N 1 2 234.225 1.777 20 30 BDEDLO C=CCCCCO[NH+]=C(N)CN1CCOCC1 ZINC000842029296 587990607 /nfs/dbraw/zinc/99/06/07/587990607.db2.gz DYMBMKJIMQFVOU-UHFFFAOYSA-N 1 2 241.335 1.173 20 30 BDEDLO C#Cc1cccc(C[NH2+][C@@H](C(=O)OC)C2CC2)c1 ZINC000842156236 588004104 /nfs/dbraw/zinc/00/41/04/588004104.db2.gz HDDAXUOXEXGXQN-CQSZACIVSA-N 1 2 243.306 1.709 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000843998382 588153984 /nfs/dbraw/zinc/15/39/84/588153984.db2.gz BKMXDNDNNWKILX-LBPRGKRZSA-N 1 2 231.299 1.145 20 30 BDEDLO Oc1ccccc1/C=[NH+]\CC[C@@]1(O)CCCOC1 ZINC000844270782 588178337 /nfs/dbraw/zinc/17/83/37/588178337.db2.gz JVIJOAHTCMTEJN-QTNMRXCUSA-N 1 2 249.310 1.743 20 30 BDEDLO CCCCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844529129 588200164 /nfs/dbraw/zinc/20/01/64/588200164.db2.gz NUQFVWHPZLOHPK-ZDUSSCGKSA-N 1 2 239.363 1.917 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844526251 588200541 /nfs/dbraw/zinc/20/05/41/588200541.db2.gz DIQNYFBCEDHLQH-SNVBAGLBSA-N 1 2 245.273 1.158 20 30 BDEDLO C[C@@H]1CC/C(=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000844527740 588200598 /nfs/dbraw/zinc/20/05/98/588200598.db2.gz BQRFSHQRYMFKMD-MYUVLUJPSA-N 1 2 249.358 1.693 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C(F)=C1CCC1 ZINC000844526527 588200780 /nfs/dbraw/zinc/20/07/80/588200780.db2.gz GFXYEUFOJROBSA-LBPRGKRZSA-N 1 2 239.294 1.354 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C=C1CCC1 ZINC000844528336 588200818 /nfs/dbraw/zinc/20/08/18/588200818.db2.gz HPBJYKSKPQEIAK-GFCCVEGCSA-N 1 2 221.304 1.057 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846014281 588253737 /nfs/dbraw/zinc/25/37/37/588253737.db2.gz FFWIWWNPVXTRSL-LLVKDONJSA-N 1 2 245.326 1.242 20 30 BDEDLO C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)NOCC)C1 ZINC000846085328 588256026 /nfs/dbraw/zinc/25/60/26/588256026.db2.gz XXJGLKKJADYKKS-WDEREUQCSA-N 1 2 226.320 1.389 20 30 BDEDLO C#CCCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244586 588262430 /nfs/dbraw/zinc/26/24/30/588262430.db2.gz KYCMJIPYTOVBCJ-UHFFFAOYSA-N 1 2 233.315 1.955 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000846549903 588275114 /nfs/dbraw/zinc/27/51/14/588275114.db2.gz KXHMUUDTYLZVDL-NXEZZACHSA-N 1 2 235.287 1.068 20 30 BDEDLO CON1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000846984876 588300255 /nfs/dbraw/zinc/30/02/55/588300255.db2.gz XMTLTVKMKLIKKJ-UHFFFAOYSA-N 1 2 249.289 1.376 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(CC)s2)C1 ZINC000847021062 588302522 /nfs/dbraw/zinc/30/25/22/588302522.db2.gz IHJKRPBGMOFQFZ-SNVBAGLBSA-N 1 2 235.356 1.946 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(CC)s2)C1 ZINC000847021062 588302523 /nfs/dbraw/zinc/30/25/23/588302523.db2.gz IHJKRPBGMOFQFZ-SNVBAGLBSA-N 1 2 235.356 1.946 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000847021523 588302656 /nfs/dbraw/zinc/30/26/56/588302656.db2.gz NPCOFBRBEKHKSM-GFCCVEGCSA-N 1 2 223.316 1.531 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000847021523 588302657 /nfs/dbraw/zinc/30/26/57/588302657.db2.gz NPCOFBRBEKHKSM-GFCCVEGCSA-N 1 2 223.316 1.531 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000847022502 588303337 /nfs/dbraw/zinc/30/33/37/588303337.db2.gz HWNPJUBROUKJHT-SNVBAGLBSA-N 1 2 205.261 1.223 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000847022502 588303338 /nfs/dbraw/zinc/30/33/38/588303338.db2.gz HWNPJUBROUKJHT-SNVBAGLBSA-N 1 2 205.261 1.223 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847024911 588303699 /nfs/dbraw/zinc/30/36/99/588303699.db2.gz GSLHVBGDQWRVBV-GXFFZTMASA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)C1 ZINC000847024835 588303917 /nfs/dbraw/zinc/30/39/17/588303917.db2.gz LRFVXYZDSJHQPW-MNOVXSKESA-N 1 2 249.314 1.622 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)C1 ZINC000847024835 588303918 /nfs/dbraw/zinc/30/39/18/588303918.db2.gz LRFVXYZDSJHQPW-MNOVXSKESA-N 1 2 249.314 1.622 20 30 BDEDLO Cc1noc([C@@H](C)[N@@H+](C)CCO[C@H](C)C#N)n1 ZINC000847067700 588305778 /nfs/dbraw/zinc/30/57/78/588305778.db2.gz YYSPDKNRVDLZGI-RKDXNWHRSA-N 1 2 238.291 1.300 20 30 BDEDLO Cc1noc([C@@H](C)[N@H+](C)CCO[C@H](C)C#N)n1 ZINC000847067700 588305779 /nfs/dbraw/zinc/30/57/79/588305779.db2.gz YYSPDKNRVDLZGI-RKDXNWHRSA-N 1 2 238.291 1.300 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000847165310 588308147 /nfs/dbraw/zinc/30/81/47/588308147.db2.gz SDGDJOBJPMUYNI-LBPRGKRZSA-N 1 2 243.310 1.689 20 30 BDEDLO N#C[C@@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416547 588381770 /nfs/dbraw/zinc/38/17/70/588381770.db2.gz OXVKSKLHNNMIGY-GFCCVEGCSA-N 1 2 245.330 1.933 20 30 BDEDLO COC[C@@H](C)CN=NCCCn1cc[nH+]c1 ZINC000848417845 588382333 /nfs/dbraw/zinc/38/23/33/588382333.db2.gz GFQFMHDQZMAWFY-NSHDSACASA-N 1 2 224.308 1.131 20 30 BDEDLO CC(N=NCCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000848418570 588382475 /nfs/dbraw/zinc/38/24/75/588382475.db2.gz PYFQZNIZNHCEKX-GFCCVEGCSA-N 1 2 236.319 1.275 20 30 BDEDLO C#C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000848750090 588411319 /nfs/dbraw/zinc/41/13/19/588411319.db2.gz BOTONHNELCUZRW-SNVBAGLBSA-N 1 2 241.298 1.213 20 30 BDEDLO COC(=O)/C=C\c1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000848902272 588418896 /nfs/dbraw/zinc/41/88/96/588418896.db2.gz MLNPYVBDPNVKCV-OMMCCPJFSA-N 1 2 248.282 1.715 20 30 BDEDLO Cn1c[nH+]c(/C=C2/S/C(=N/C3CC3)NC2=O)c1 ZINC000849252545 588464577 /nfs/dbraw/zinc/46/45/77/588464577.db2.gz WFYDMQMWGHDGNG-RUDMXATFSA-N 1 2 248.311 1.142 20 30 BDEDLO O=C1N/C(=N/C2CC2)SC1=Cc1[nH]cc[nH+]1 ZINC000849252138 588464886 /nfs/dbraw/zinc/46/48/86/588464886.db2.gz QOGJMNQWRXQJTF-ALCCZGGFSA-N 1 2 234.284 1.132 20 30 BDEDLO O=C1NC(=NC2CC2)SC1=Cc1[nH]cc[nH+]1 ZINC000849252138 588464887 /nfs/dbraw/zinc/46/48/87/588464887.db2.gz QOGJMNQWRXQJTF-ALCCZGGFSA-N 1 2 234.284 1.132 20 30 BDEDLO N#CCC1C[NH+](C[C@@H](O)c2ccc(F)cn2)C1 ZINC000849326190 588473035 /nfs/dbraw/zinc/47/30/35/588473035.db2.gz FSDFFTVHRYAXNR-GFCCVEGCSA-N 1 2 235.262 1.100 20 30 BDEDLO C[C@H](CC#N)C(=O)OCc1cc[nH+]c(N)c1 ZINC000849852072 588505044 /nfs/dbraw/zinc/50/50/44/588505044.db2.gz KRAPXNJEXXNXFA-MRVPVSSYSA-N 1 2 219.244 1.257 20 30 BDEDLO C#CCOCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000851731896 588619615 /nfs/dbraw/zinc/61/96/15/588619615.db2.gz CSVDMCIRLOFAHT-LBPRGKRZSA-N 1 2 249.314 1.555 20 30 BDEDLO C#CCOCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000851731896 588619616 /nfs/dbraw/zinc/61/96/16/588619616.db2.gz CSVDMCIRLOFAHT-LBPRGKRZSA-N 1 2 249.314 1.555 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851744428 588621963 /nfs/dbraw/zinc/62/19/63/588621963.db2.gz FEQBNBZMFLJXQG-JQWIXIFHSA-N 1 2 219.288 1.206 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851744428 588621964 /nfs/dbraw/zinc/62/19/64/588621964.db2.gz FEQBNBZMFLJXQG-JQWIXIFHSA-N 1 2 219.288 1.206 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851793478 588629152 /nfs/dbraw/zinc/62/91/52/588629152.db2.gz FEXWOUKNUWULMK-MGPQQGTHSA-N 1 2 244.338 1.002 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](CCOC(F)F)C1 ZINC000851924352 588644235 /nfs/dbraw/zinc/64/42/35/588644235.db2.gz ZEDYLHNEFCJDTP-JTQLQIEISA-N 1 2 218.247 1.851 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](CCOC(F)F)C1 ZINC000851924352 588644236 /nfs/dbraw/zinc/64/42/36/588644236.db2.gz ZEDYLHNEFCJDTP-JTQLQIEISA-N 1 2 218.247 1.851 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)c2ccccn2)C1 ZINC000851922372 588644446 /nfs/dbraw/zinc/64/44/46/588644446.db2.gz HVECOTGDDWOOFL-KBPBESRZSA-N 1 2 245.326 1.741 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000851922372 588644447 /nfs/dbraw/zinc/64/44/47/588644447.db2.gz HVECOTGDDWOOFL-KBPBESRZSA-N 1 2 245.326 1.741 20 30 BDEDLO CC1(C#N)C[NH+](CC[C@H]2COC(C)(C)O2)C1 ZINC000852003830 588654189 /nfs/dbraw/zinc/65/41/89/588654189.db2.gz MQEQYMHTHFYTPC-JTQLQIEISA-N 1 2 224.304 1.373 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000852104125 588663653 /nfs/dbraw/zinc/66/36/53/588663653.db2.gz BOYPXHOUIQDJHQ-LLVKDONJSA-N 1 2 237.259 1.783 20 30 BDEDLO C=C(Cl)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852122770 588665571 /nfs/dbraw/zinc/66/55/71/588665571.db2.gz HXWUAGVCFGMLEZ-MRVPVSSYSA-N 1 2 242.710 1.533 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852277919 588675621 /nfs/dbraw/zinc/67/56/21/588675621.db2.gz SALDETKZYUHQPM-UWVGGRQHSA-N 1 2 234.303 1.192 20 30 BDEDLO C#C[C@@H](NC(=O)N[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000852304058 588677693 /nfs/dbraw/zinc/67/76/93/588677693.db2.gz FWCWKKLCGWYYEA-GHMZBOCLSA-N 1 2 248.330 1.438 20 30 BDEDLO Cc1nonc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319583 588678153 /nfs/dbraw/zinc/67/81/53/588678153.db2.gz PRLVVAXNDQBVDL-JTQLQIEISA-N 1 2 220.276 1.504 20 30 BDEDLO Cc1nonc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319583 588678154 /nfs/dbraw/zinc/67/81/54/588678154.db2.gz PRLVVAXNDQBVDL-JTQLQIEISA-N 1 2 220.276 1.504 20 30 BDEDLO CCn1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000852320040 588678384 /nfs/dbraw/zinc/67/83/84/588678384.db2.gz FVMPEOVSLDOYQJ-LLVKDONJSA-N 1 2 233.319 1.424 20 30 BDEDLO CCn1ncc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000852320040 588678385 /nfs/dbraw/zinc/67/83/85/588678385.db2.gz FVMPEOVSLDOYQJ-LLVKDONJSA-N 1 2 233.319 1.424 20 30 BDEDLO CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328535 588678770 /nfs/dbraw/zinc/67/87/70/588678770.db2.gz HHPFVLUZXUKCKV-CYBMUJFWSA-N 1 2 215.300 1.959 20 30 BDEDLO CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328535 588678771 /nfs/dbraw/zinc/67/87/71/588678771.db2.gz HHPFVLUZXUKCKV-CYBMUJFWSA-N 1 2 215.300 1.959 20 30 BDEDLO C#C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000852341869 588679181 /nfs/dbraw/zinc/67/91/81/588679181.db2.gz YIBUOIKKFRTGLA-NSHDSACASA-N 1 2 248.330 1.599 20 30 BDEDLO C#C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000852341869 588679182 /nfs/dbraw/zinc/67/91/82/588679182.db2.gz YIBUOIKKFRTGLA-NSHDSACASA-N 1 2 248.330 1.599 20 30 BDEDLO C[C@@H](C#N)[N@H+](CCCCCCO)C1CC1 ZINC000852479204 588683430 /nfs/dbraw/zinc/68/34/30/588683430.db2.gz DQFUDHGWEVXDLB-NSHDSACASA-N 1 2 210.321 1.916 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CCCCCCO)C1CC1 ZINC000852479204 588683431 /nfs/dbraw/zinc/68/34/31/588683431.db2.gz DQFUDHGWEVXDLB-NSHDSACASA-N 1 2 210.321 1.916 20 30 BDEDLO C=C(Cl)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852719964 588698104 /nfs/dbraw/zinc/69/81/04/588698104.db2.gz RYIIZDTXFRINDF-UHFFFAOYSA-N 1 2 244.722 1.656 20 30 BDEDLO C[C@H]1CCC(=[NH+]n2cccn2)[C@H](n2cncn2)C1 ZINC000863163695 589266378 /nfs/dbraw/zinc/26/63/78/589266378.db2.gz MOFVGKFTGLBJIB-CMPLNLGQSA-N 1 2 244.302 1.740 20 30 BDEDLO C#CCOCCNc1cc(NCCC)[nH+]cn1 ZINC000865673793 589455714 /nfs/dbraw/zinc/45/57/14/589455714.db2.gz AJIPPXHQEPKQMG-UHFFFAOYSA-N 1 2 234.303 1.360 20 30 BDEDLO C#CCOCCNc1cc(NCCC)nc[nH+]1 ZINC000865673793 589455715 /nfs/dbraw/zinc/45/57/15/589455715.db2.gz AJIPPXHQEPKQMG-UHFFFAOYSA-N 1 2 234.303 1.360 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000865795978 589461397 /nfs/dbraw/zinc/46/13/97/589461397.db2.gz PNJSEFNWQBTWDT-UHFFFAOYSA-N 1 2 232.327 1.120 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(F)=C/CC)CC1 ZINC000865795780 589462109 /nfs/dbraw/zinc/46/21/09/589462109.db2.gz NDGNORYLJIFWMW-WZUFQYTHSA-N 1 2 224.279 1.027 20 30 BDEDLO C=CCCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000120794840 589466462 /nfs/dbraw/zinc/46/64/62/589466462.db2.gz ACJOSSLFMXVVKN-NSHDSACASA-N 1 2 243.372 1.933 20 30 BDEDLO C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866212563 589480796 /nfs/dbraw/zinc/48/07/96/589480796.db2.gz SYBGSUOEJBYEKA-BDAKNGLRSA-N 1 2 220.272 1.295 20 30 BDEDLO COC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866213356 589480941 /nfs/dbraw/zinc/48/09/41/589480941.db2.gz PRAFJZGEVRREQB-NXEZZACHSA-N 1 2 234.299 1.949 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CO)c1cccc(C#N)c1O ZINC000866274771 589483869 /nfs/dbraw/zinc/48/38/69/589483869.db2.gz SSVPHTZOCPCPMQ-DTWKUNHWSA-N 1 2 220.272 1.295 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000121203334 589517809 /nfs/dbraw/zinc/51/78/09/589517809.db2.gz PFHVDVXJIFLPML-UHFFFAOYSA-N 1 2 239.706 1.791 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000121203334 589517810 /nfs/dbraw/zinc/51/78/10/589517810.db2.gz PFHVDVXJIFLPML-UHFFFAOYSA-N 1 2 239.706 1.791 20 30 BDEDLO C=CCOCCO[NH+]=C(N)COC1CCC1 ZINC000871778649 589813759 /nfs/dbraw/zinc/81/37/59/589813759.db2.gz REBHDLCZHJIGKS-UHFFFAOYSA-N 1 2 228.292 1.257 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1C[C@H]1C1CCOCC1)C(=O)OC ZINC000871928868 589833885 /nfs/dbraw/zinc/83/38/85/589833885.db2.gz MXJBCEWBJHRAEO-SDDRHHMPSA-N 1 2 239.315 1.119 20 30 BDEDLO Cc1nn(CCC#N)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000871985757 589853684 /nfs/dbraw/zinc/85/36/84/589853684.db2.gz ACZXFPFQEMOWQO-LBPRGKRZSA-N 1 2 248.330 1.417 20 30 BDEDLO Cc1nn(CCC#N)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000871985757 589853686 /nfs/dbraw/zinc/85/36/86/589853686.db2.gz ACZXFPFQEMOWQO-LBPRGKRZSA-N 1 2 248.330 1.417 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872305476 589908286 /nfs/dbraw/zinc/90/82/86/589908286.db2.gz KVSXJXLNPPOZRI-JTQLQIEISA-N 1 2 244.298 1.020 20 30 BDEDLO Fc1cnc(N=NCc2cn(C3CC3)c[nH+]2)nc1 ZINC000872361087 589919236 /nfs/dbraw/zinc/91/92/36/589919236.db2.gz ZSVHAIIKDKJMGN-UHFFFAOYSA-N 1 2 246.249 1.593 20 30 BDEDLO CCCON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872383360 589928577 /nfs/dbraw/zinc/92/85/77/589928577.db2.gz CSFIDEXHVYFONE-UHFFFAOYSA-N 1 2 204.233 1.670 20 30 BDEDLO c1cnn(N=C2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000872393108 589931772 /nfs/dbraw/zinc/93/17/72/589931772.db2.gz LFCVYJJIFXZBGH-LLVKDONJSA-N 1 2 236.344 1.298 20 30 BDEDLO c1cnn(N=C2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000872393108 589931775 /nfs/dbraw/zinc/93/17/75/589931775.db2.gz LFCVYJJIFXZBGH-LLVKDONJSA-N 1 2 236.344 1.298 20 30 BDEDLO c1cnn([NH+]=C2CCCN3CCSC[C@H]23)c1 ZINC000872393108 589931779 /nfs/dbraw/zinc/93/17/79/589931779.db2.gz LFCVYJJIFXZBGH-LLVKDONJSA-N 1 2 236.344 1.298 20 30 BDEDLO C#CCN(CC)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000874167880 590095730 /nfs/dbraw/zinc/09/57/30/590095730.db2.gz ZFSFRFSOBXCKOC-CYBMUJFWSA-N 1 2 247.342 1.952 20 30 BDEDLO N#CCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891293 590153621 /nfs/dbraw/zinc/15/36/21/590153621.db2.gz LAFDRPUSDHWQDG-GFCCVEGCSA-N 1 2 247.273 1.212 20 30 BDEDLO C=C1CC[NH+](Cc2cn(CCC)nn2)CC1 ZINC000876694985 590231395 /nfs/dbraw/zinc/23/13/95/590231395.db2.gz RJMDOGWQCQGAKB-UHFFFAOYSA-N 1 2 220.320 1.840 20 30 BDEDLO N#CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000877482742 590337664 /nfs/dbraw/zinc/33/76/64/590337664.db2.gz FTFHMHWZDMFBBF-UHFFFAOYSA-N 1 2 227.214 1.247 20 30 BDEDLO COc1cncc(C[NH2+]CCC#N)c1C ZINC000877483184 590338097 /nfs/dbraw/zinc/33/80/97/590338097.db2.gz LWAKKIOTHQNLKN-UHFFFAOYSA-N 1 2 205.261 1.402 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC ZINC000877583208 590367015 /nfs/dbraw/zinc/36/70/15/590367015.db2.gz MRWGMUJLYUHENZ-GHMZBOCLSA-N 1 2 222.288 1.081 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@H]1C[C@H]1C ZINC000877710922 590398337 /nfs/dbraw/zinc/39/83/37/590398337.db2.gz ZHJHPMZTDMFAML-NXEZZACHSA-N 1 2 210.277 1.031 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@H]1C[C@H]1C ZINC000877710922 590398340 /nfs/dbraw/zinc/39/83/40/590398340.db2.gz ZHJHPMZTDMFAML-NXEZZACHSA-N 1 2 210.277 1.031 20 30 BDEDLO C=CC[C@H](C)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000878171313 590515117 /nfs/dbraw/zinc/51/51/17/590515117.db2.gz GBDSIOLDWZPCFN-NSHDSACASA-N 1 2 248.330 1.033 20 30 BDEDLO C=CC[C@H](C)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000878171313 590515119 /nfs/dbraw/zinc/51/51/19/590515119.db2.gz GBDSIOLDWZPCFN-NSHDSACASA-N 1 2 248.330 1.033 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(C)n1 ZINC000878254805 590529585 /nfs/dbraw/zinc/52/95/85/590529585.db2.gz HARUWKVRNARQOZ-CYBMUJFWSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)n1 ZINC000878254805 590529586 /nfs/dbraw/zinc/52/95/86/590529586.db2.gz HARUWKVRNARQOZ-CYBMUJFWSA-N 1 2 248.326 1.940 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000878379841 590556461 /nfs/dbraw/zinc/55/64/61/590556461.db2.gz XWJPIONXUUUYFO-GHMZBOCLSA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622351 590597030 /nfs/dbraw/zinc/59/70/30/590597030.db2.gz NRUDVDBMRVHHNW-VHSXEESVSA-N 1 2 236.319 1.654 20 30 BDEDLO C=CC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622351 590597031 /nfs/dbraw/zinc/59/70/31/590597031.db2.gz NRUDVDBMRVHHNW-VHSXEESVSA-N 1 2 236.319 1.654 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000878659404 590604894 /nfs/dbraw/zinc/60/48/94/590604894.db2.gz CYDWDMPNEPHSGX-JQWIXIFHSA-N 1 2 229.295 1.928 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@](C)(F)C1 ZINC000878659404 590604896 /nfs/dbraw/zinc/60/48/96/590604896.db2.gz CYDWDMPNEPHSGX-JQWIXIFHSA-N 1 2 229.295 1.928 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)C(=O)OC ZINC000878673096 590607534 /nfs/dbraw/zinc/60/75/34/590607534.db2.gz VZHHWZBYRAFVLC-HBNTYKKESA-N 1 2 241.331 1.507 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000878677638 590607794 /nfs/dbraw/zinc/60/77/94/590607794.db2.gz KLUUDLWWPYWOBV-GMTAPVOTSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC(C)(C)CC(=O)Nc1cc[nH+]cc1O ZINC000878778076 590621286 /nfs/dbraw/zinc/62/12/86/590621286.db2.gz YOSQVIMMNLDSLS-UHFFFAOYSA-N 1 2 220.272 1.750 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(CC)c1)C1CSC1 ZINC000878910335 590647373 /nfs/dbraw/zinc/64/73/73/590647373.db2.gz LHIQALRWFXUION-UHFFFAOYSA-N 1 2 235.356 1.454 20 30 BDEDLO C#CC[N@H+](Cc1cnn(CC)c1)C1CSC1 ZINC000878910335 590647376 /nfs/dbraw/zinc/64/73/76/590647376.db2.gz LHIQALRWFXUION-UHFFFAOYSA-N 1 2 235.356 1.454 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975689 590666809 /nfs/dbraw/zinc/66/68/09/590666809.db2.gz GBEILSJCBXFWBI-VXGBXAGGSA-N 1 2 246.314 1.542 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975689 590666813 /nfs/dbraw/zinc/66/68/13/590666813.db2.gz GBEILSJCBXFWBI-VXGBXAGGSA-N 1 2 246.314 1.542 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000879069388 590691731 /nfs/dbraw/zinc/69/17/31/590691731.db2.gz MYLBTPVZAYMLNT-ZDUSSCGKSA-N 1 2 231.299 1.735 20 30 BDEDLO C=C(C)C[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000879070800 590692042 /nfs/dbraw/zinc/69/20/42/590692042.db2.gz OKPCVTHSKNWQBX-GFCCVEGCSA-N 1 2 249.314 1.261 20 30 BDEDLO C=CC[N@H+]1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879517895 590787037 /nfs/dbraw/zinc/78/70/37/590787037.db2.gz CZQAJDHOOPFLOQ-AWEZNQCLSA-N 1 2 232.327 1.828 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccnn1C ZINC000879686472 590848228 /nfs/dbraw/zinc/84/82/28/590848228.db2.gz 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228.259 1.016 20 30 BDEDLO Cc1nc(C#N)cc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000882574953 591392702 /nfs/dbraw/zinc/39/27/02/591392702.db2.gz SJGZLZGRURXHFR-UHFFFAOYSA-N 1 2 228.259 1.016 20 30 BDEDLO C[C@@H]1COCC1=[NH+]n1cc(Br)cn1 ZINC000884443101 591935588 /nfs/dbraw/zinc/93/55/88/591935588.db2.gz ZQBBKSPWBYCEHU-ZCFIWIBFSA-N 1 2 244.092 1.516 20 30 BDEDLO C#CCSCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000134588305 591939661 /nfs/dbraw/zinc/93/96/61/591939661.db2.gz XIMLSESCMFDKTO-SECBINFHSA-N 1 2 223.345 1.735 20 30 BDEDLO COCCCCO[NH+]=C(N)c1cccc(F)c1 ZINC000134690509 591948118 /nfs/dbraw/zinc/94/81/18/591948118.db2.gz SVNSJLZBPNJHSF-UHFFFAOYSA-N 1 2 240.278 1.889 20 30 BDEDLO C#CC1(F)CN(c2cc[nH+]c(CC)n2)C1 ZINC000884581670 591986954 /nfs/dbraw/zinc/98/69/54/591986954.db2.gz JMGOMFFQGALCQX-UHFFFAOYSA-N 1 2 205.236 1.201 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886269412 592192124 /nfs/dbraw/zinc/19/21/24/592192124.db2.gz UQNPZINPWKVUDB-QMMMGPOBSA-N 1 2 220.232 1.382 20 30 BDEDLO CC[N@H+](C[C@@H]1C[C@@]12CCOC2)[C@H](C)C#N ZINC000886284367 592200034 /nfs/dbraw/zinc/20/00/34/592200034.db2.gz VESMGSJFOQBWHF-GRYCIOLGSA-N 1 2 208.305 1.647 20 30 BDEDLO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@H](C)C#N ZINC000886284367 592200036 /nfs/dbraw/zinc/20/00/36/592200036.db2.gz VESMGSJFOQBWHF-GRYCIOLGSA-N 1 2 208.305 1.647 20 30 BDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348266 592214117 /nfs/dbraw/zinc/21/41/17/592214117.db2.gz JQUGHBTUPIAQQK-PHIMTYICSA-N 1 2 243.266 1.918 20 30 BDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348266 592214120 /nfs/dbraw/zinc/21/41/20/592214120.db2.gz JQUGHBTUPIAQQK-PHIMTYICSA-N 1 2 243.266 1.918 20 30 BDEDLO C=CCCCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887076931 592435710 /nfs/dbraw/zinc/43/57/10/592435710.db2.gz ALHSASVXGGGIAP-LLVKDONJSA-N 1 2 243.372 1.933 20 30 BDEDLO C=CCCCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887076931 592435712 /nfs/dbraw/zinc/43/57/12/592435712.db2.gz ALHSASVXGGGIAP-LLVKDONJSA-N 1 2 243.372 1.933 20 30 BDEDLO COC[C@H]1C[C@@H](/[NH+]=C\c2cccc(O)c2O)C1 ZINC000887271075 592474404 /nfs/dbraw/zinc/47/44/04/592474404.db2.gz ZHTOUURRTPNVEO-DZMDMYJBSA-N 1 2 235.283 1.942 20 30 BDEDLO COC(=O)[C@@H]1C[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000887272312 592474564 /nfs/dbraw/zinc/47/45/64/592474564.db2.gz LJGDXKOWZQERBW-FFQGENNSSA-N 1 2 249.266 1.326 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107044 592680883 /nfs/dbraw/zinc/68/08/83/592680883.db2.gz HDAWVALHQXELRY-UHFFFAOYSA-N 1 2 219.288 1.086 20 30 BDEDLO Cn1c[nH+]c(CNC(=O)CCCCCC#N)c1 ZINC000890108000 592682588 /nfs/dbraw/zinc/68/25/88/592682588.db2.gz TZFLHEPLKFUUDG-UHFFFAOYSA-N 1 2 234.303 1.510 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107622 592683151 /nfs/dbraw/zinc/68/31/51/592683151.db2.gz NJVNOYGUBXUFGI-GFCCVEGCSA-N 1 2 221.304 1.639 20 30 BDEDLO C=CCN(CCOC)c1nccn2c[nH+]cc12 ZINC000893461744 634514973 /nfs/dbraw/zinc/51/49/73/634514973.db2.gz RXQWSNJUPOBFMS-UHFFFAOYSA-N 1 2 232.287 1.368 20 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C#CC1(O)C[NH+](CCCCCn2cc(C)cn2)C1 ZINC000934444746 631839901 /nfs/dbraw/zinc/83/99/01/631839901.db2.gz LIWCZCVGBMXRJX-UHFFFAOYSA-N 1 2 247.342 1.042 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CC)cc(=O)[nH]1 ZINC000934461542 631856689 /nfs/dbraw/zinc/85/66/89/631856689.db2.gz RKMMYJVOAAXANO-NSHDSACASA-N 1 2 233.315 1.895 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CC)cc(=O)[nH]1 ZINC000934461542 631856690 /nfs/dbraw/zinc/85/66/90/631856690.db2.gz RKMMYJVOAAXANO-NSHDSACASA-N 1 2 233.315 1.895 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(CC)o1 ZINC000934473723 631866222 /nfs/dbraw/zinc/86/62/22/631866222.db2.gz ZFTOBBMAVGPJGC-VIFPVBQESA-N 1 2 207.277 1.782 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(CC)o1 ZINC000934473723 631866225 /nfs/dbraw/zinc/86/62/25/631866225.db2.gz ZFTOBBMAVGPJGC-VIFPVBQESA-N 1 2 207.277 1.782 20 30 BDEDLO C=CCOCCCNc1cc(N(C)C)nc[nH+]1 ZINC000894557008 635907258 /nfs/dbraw/zinc/90/72/58/635907258.db2.gz RFTFOYCTBVJQIV-UHFFFAOYSA-N 1 2 236.319 1.547 20 30 BDEDLO C=CCOCCCNc1cc(N(C)C)[nH+]cn1 ZINC000894557008 635907259 /nfs/dbraw/zinc/90/72/59/635907259.db2.gz RFTFOYCTBVJQIV-UHFFFAOYSA-N 1 2 236.319 1.547 20 30 BDEDLO C#CCCCCNc1cc(N(C)C)nc[nH+]1 ZINC000892900207 633242882 /nfs/dbraw/zinc/24/28/82/633242882.db2.gz RBCLJQFRSJQULL-UHFFFAOYSA-N 1 2 218.304 1.758 20 30 BDEDLO C#CCCCCNc1cc(N(C)C)[nH+]cn1 ZINC000892900207 633242889 /nfs/dbraw/zinc/24/28/89/633242889.db2.gz RBCLJQFRSJQULL-UHFFFAOYSA-N 1 2 218.304 1.758 20 30 BDEDLO N#CCC1(CO[NH+]=C(N)Cc2cccnc2)CC1 ZINC000853678524 633870225 /nfs/dbraw/zinc/87/02/25/633870225.db2.gz JUHUBSWSFBPIMB-UHFFFAOYSA-N 1 2 244.298 1.816 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H](CC)COC)C(=O)OCC ZINC000895598817 636164190 /nfs/dbraw/zinc/16/41/90/636164190.db2.gz VAWJPXIFIXABNF-VXGBXAGGSA-N 1 2 243.347 1.899 20 30 BDEDLO C#CC[N@H+]1CCCN(C(=O)c2occc2C)CC1 ZINC000980707894 635260496 /nfs/dbraw/zinc/26/04/96/635260496.db2.gz LKIJMKKHDUTOLM-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO C#CC[N@@H+]1CCCN(C(=O)c2occc2C)CC1 ZINC000980707894 635260498 /nfs/dbraw/zinc/26/04/98/635260498.db2.gz LKIJMKKHDUTOLM-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502877 637046530 /nfs/dbraw/zinc/04/65/30/637046530.db2.gz IJBZRRYJQVNAEF-NSHDSACASA-N 1 2 242.338 1.749 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502877 637046534 /nfs/dbraw/zinc/04/65/34/637046534.db2.gz IJBZRRYJQVNAEF-NSHDSACASA-N 1 2 242.338 1.749 20 30 BDEDLO Cc1[nH]c(CNC(=O)[C@@H](C)CC#N)[nH+]c1C ZINC000900999338 637224809 /nfs/dbraw/zinc/22/48/09/637224809.db2.gz GAZWUSWAASYETJ-ZETCQYMHSA-N 1 2 220.276 1.193 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2cnn(C)c2C)[nH+]c1C ZINC000901487886 637255229 /nfs/dbraw/zinc/25/52/29/637255229.db2.gz BRRPDPIPLBUVEP-AATRIKPKSA-N 1 2 244.298 1.965 20 30 BDEDLO Nc1ccc(CON=C[C@@H]2CCCO2)c[nH+]1 ZINC000902582723 637312290 /nfs/dbraw/zinc/31/22/90/637312290.db2.gz MMCXEEVDVFCKDQ-JTQLQIEISA-N 1 2 221.260 1.345 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C(=O)OC ZINC000905780157 637908958 /nfs/dbraw/zinc/90/89/58/637908958.db2.gz PEHMCAGXKYXOAW-BBBLOLIVSA-N 1 2 229.345 1.588 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H]1CCCCS1)C(=O)OC ZINC000905764394 637921045 /nfs/dbraw/zinc/92/10/45/637921045.db2.gz XQDNDBRQATVOOR-MNOVXSKESA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000905773934 637929414 /nfs/dbraw/zinc/92/94/14/637929414.db2.gz LNPLKAKEIYHPJW-IUCAKERBSA-N 1 2 247.285 1.985 20 30 BDEDLO C#CCOCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907340995 638351268 /nfs/dbraw/zinc/35/12/68/638351268.db2.gz VAWJLOMJUOGFBK-UHFFFAOYSA-N 1 2 246.310 1.386 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908761025 639063572 /nfs/dbraw/zinc/06/35/72/639063572.db2.gz QSNBRWJUYDZMTB-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1C[C@H]1C(=O)OCC ZINC000930542086 639807533 /nfs/dbraw/zinc/80/75/33/639807533.db2.gz RKWHJFNXDDPIFE-NWDGAFQWSA-N 1 2 236.315 1.587 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1C[C@H]1C(=O)OCC ZINC000930542086 639807534 /nfs/dbraw/zinc/80/75/34/639807534.db2.gz RKWHJFNXDDPIFE-NWDGAFQWSA-N 1 2 236.315 1.587 20 30 BDEDLO C=CCC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC000912459769 640069482 /nfs/dbraw/zinc/06/94/82/640069482.db2.gz YNXKZZZMAFFGAE-UHFFFAOYSA-N 1 2 249.314 1.194 20 30 BDEDLO C=CCOCCCNC(=O)CNc1cccc[nH+]1 ZINC000912500393 640097121 /nfs/dbraw/zinc/09/71/21/640097121.db2.gz JEHABHRZGRTORH-UHFFFAOYSA-N 1 2 249.314 1.202 20 30 BDEDLO CCN(C(=O)CNc1cccc[nH+]1)[C@H](C)C#N ZINC000912687375 640165137 /nfs/dbraw/zinc/16/51/37/640165137.db2.gz POIBMXRQGNIPII-SNVBAGLBSA-N 1 2 232.287 1.254 20 30 BDEDLO COCC#CC[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932357590 640499511 /nfs/dbraw/zinc/49/95/11/640499511.db2.gz PLYGKKXMKQGMMA-GFCCVEGCSA-N 1 2 231.299 1.167 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(CC)n1)C(C)(C)C ZINC000932461960 640534724 /nfs/dbraw/zinc/53/47/24/640534724.db2.gz NBEOSDDDOCBJPB-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO C#CC[N@H+](Cc1cnn(CC)n1)C(C)(C)C ZINC000932461960 640534731 /nfs/dbraw/zinc/53/47/31/640534731.db2.gz NBEOSDDDOCBJPB-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO C[C@@H](C#N)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932470734 640541279 /nfs/dbraw/zinc/54/12/79/640541279.db2.gz BSOWSVGWFMOBTH-QMMMGPOBSA-N 1 2 228.255 1.452 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCn2cccc2C1 ZINC000932524653 640563025 /nfs/dbraw/zinc/56/30/25/640563025.db2.gz NCWVKFWRAVBUBC-LLVKDONJSA-N 1 2 219.288 1.232 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCn2cccc2C1 ZINC000932524653 640563031 /nfs/dbraw/zinc/56/30/31/640563031.db2.gz NCWVKFWRAVBUBC-LLVKDONJSA-N 1 2 219.288 1.232 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2cccs2)C1 ZINC001030066668 640569750 /nfs/dbraw/zinc/56/97/50/640569750.db2.gz YIIYEUSDOGNAMA-UHFFFAOYSA-N 1 2 236.340 1.738 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C3CCC2(C(N)=O)CC3)o1 ZINC000932937334 640649513 /nfs/dbraw/zinc/64/95/13/640649513.db2.gz LKSLINPSSQTCEL-UHFFFAOYSA-N 1 2 245.282 1.134 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2C3CCC2(C(N)=O)CC3)o1 ZINC000932937334 640649518 /nfs/dbraw/zinc/64/95/18/640649518.db2.gz LKSLINPSSQTCEL-UHFFFAOYSA-N 1 2 245.282 1.134 20 30 BDEDLO C=CC[N@H+]1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 ZINC000933196285 640676060 /nfs/dbraw/zinc/67/60/60/640676060.db2.gz ASUWAHWHVMUTLC-UPJWGTAASA-N 1 2 241.331 1.067 20 30 BDEDLO C=CC[N@@H+]1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 ZINC000933196285 640676063 /nfs/dbraw/zinc/67/60/63/640676063.db2.gz ASUWAHWHVMUTLC-UPJWGTAASA-N 1 2 241.331 1.067 20 30 BDEDLO C[C@]1(C#N)C[N@H+](C[Si](C)(C)C)CCO1 ZINC000933599932 640728919 /nfs/dbraw/zinc/72/89/19/640728919.db2.gz XCMVNQFTECQJQQ-JTQLQIEISA-N 1 2 212.369 1.478 20 30 BDEDLO C[C@]1(C#N)C[N@@H+](C[Si](C)(C)C)CCO1 ZINC000933599932 640728925 /nfs/dbraw/zinc/72/89/25/640728925.db2.gz XCMVNQFTECQJQQ-JTQLQIEISA-N 1 2 212.369 1.478 20 30 BDEDLO C[C@@H](C#N)C[NH2+][C@H]1CCc2cccnc21 ZINC000226819194 640793233 /nfs/dbraw/zinc/79/32/33/640793233.db2.gz CINIUADJLWWLHE-ONGXEEELSA-N 1 2 201.273 1.818 20 30 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C#C[C@H]1CCCC[N@@H+]1[C@@H](C)C(=O)OCCC ZINC000934512454 641181767 /nfs/dbraw/zinc/18/17/67/641181767.db2.gz NIBWCUPSBDQUSO-RYUDHWBXSA-N 1 2 223.316 1.816 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934571476 641199050 /nfs/dbraw/zinc/19/90/50/641199050.db2.gz UMYNADMODKNSSB-STQMWFEESA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934571476 641199056 /nfs/dbraw/zinc/19/90/56/641199056.db2.gz UMYNADMODKNSSB-STQMWFEESA-N 1 2 234.274 1.463 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CC[C@H](C)C2)C1 ZINC001030807042 641360501 /nfs/dbraw/zinc/36/05/01/641360501.db2.gz KKZGLYAEZSYAOK-RYUDHWBXSA-N 1 2 236.359 1.799 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001030873475 641394174 /nfs/dbraw/zinc/39/41/74/641394174.db2.gz SDXXEMHIWQHDBJ-OCCSQVGLSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2C[C@@H]2C)C1 ZINC001030898484 641409232 /nfs/dbraw/zinc/40/92/32/641409232.db2.gz UBNMPOUAYPDULC-WDEREUQCSA-N 1 2 222.332 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BZGCDSKZLDNQNE-HOAMVYINSA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)C1 ZINC001032347034 643549432 /nfs/dbraw/zinc/54/94/32/643549432.db2.gz BZGCDSKZLDNQNE-HOAMVYINSA-N 1 2 246.354 1.341 20 30 BDEDLO CC(C)(C#N)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922360878 643979530 /nfs/dbraw/zinc/97/95/30/643979530.db2.gz IRLGLBVTTPHKBZ-UHFFFAOYSA-N 1 2 219.244 1.257 20 30 BDEDLO Nc1[nH+]cccc1COC(=O)C#CC1CC1 ZINC000922791509 644096906 /nfs/dbraw/zinc/09/69/06/644096906.db2.gz JVAKDRAMYAGJQK-UHFFFAOYSA-N 1 2 216.240 1.120 20 30 BDEDLO N#CCCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922853008 644121465 /nfs/dbraw/zinc/12/14/65/644121465.db2.gz YQLCSLCKHDLYDR-UHFFFAOYSA-N 1 2 233.271 1.791 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000952441779 644393312 /nfs/dbraw/zinc/39/33/12/644393312.db2.gz IBDGAHAHGSUGEL-UONOGXRCSA-N 1 2 248.370 1.751 20 30 BDEDLO NC(Cc1cccnc1)=[NH+]OCC1CC1 ZINC000089506426 644555196 /nfs/dbraw/zinc/55/51/96/644555196.db2.gz WGJVBGFHSMAIQK-UHFFFAOYSA-N 1 2 205.261 1.323 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OC ZINC000843412136 645290496 /nfs/dbraw/zinc/29/04/96/645290496.db2.gz VKVFIZLYGRKTRW-SNVBAGLBSA-N 1 2 245.269 1.719 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC000847017851 645415523 /nfs/dbraw/zinc/41/55/23/645415523.db2.gz FGEPIBJXIODLSH-NSHDSACASA-N 1 2 218.304 1.143 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC000847017851 645415527 /nfs/dbraw/zinc/41/55/27/645415527.db2.gz FGEPIBJXIODLSH-NSHDSACASA-N 1 2 218.304 1.143 20 30 BDEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cnnn1C ZINC000926875245 645468323 /nfs/dbraw/zinc/46/83/23/645468323.db2.gz WUWWWGQSFUBKMU-MRVPVSSYSA-N 1 2 207.281 1.015 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](CC=C(Cl)Cl)C1 ZINC000852205384 645474372 /nfs/dbraw/zinc/47/43/72/645474372.db2.gz LCZZVDWIRBDFJB-SECBINFHSA-N 1 2 235.114 1.656 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852205384 645474387 /nfs/dbraw/zinc/47/43/87/645474387.db2.gz LCZZVDWIRBDFJB-SECBINFHSA-N 1 2 235.114 1.656 20 30 BDEDLO N#CCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927084346 645543575 /nfs/dbraw/zinc/54/35/75/645543575.db2.gz LLFXTYTYDFSPOG-UHFFFAOYSA-N 1 2 244.298 1.398 20 30 BDEDLO N#CCCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000927778756 645658334 /nfs/dbraw/zinc/65/83/34/645658334.db2.gz ZYXJIHIRUXMWID-UHFFFAOYSA-N 1 2 232.287 1.364 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000928210752 645710307 /nfs/dbraw/zinc/71/03/07/645710307.db2.gz AVUMJLLCUDXJFQ-GMTAPVOTSA-N 1 2 244.298 1.275 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000928210752 645710314 /nfs/dbraw/zinc/71/03/14/645710314.db2.gz AVUMJLLCUDXJFQ-GMTAPVOTSA-N 1 2 244.298 1.275 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C#N)C1 ZINC000928218064 645714234 /nfs/dbraw/zinc/71/42/34/645714234.db2.gz QUGPYRAHQQDVEO-SNVBAGLBSA-N 1 2 232.287 1.023 20 30 BDEDLO C=CCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928642054 645852811 /nfs/dbraw/zinc/85/28/11/645852811.db2.gz YRSUMAGUGUJZCH-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@@H+](C)C[C@@H](C)O3)n2)C1 ZINC000924122571 645985533 /nfs/dbraw/zinc/98/55/33/645985533.db2.gz NFIWMVXAINUTJM-KOLCDFICSA-N 1 2 249.314 1.895 20 30 BDEDLO C=C1CC(c2noc([C@@H]3C[N@H+](C)C[C@@H](C)O3)n2)C1 ZINC000924122571 645985544 /nfs/dbraw/zinc/98/55/44/645985544.db2.gz NFIWMVXAINUTJM-KOLCDFICSA-N 1 2 249.314 1.895 20 30 BDEDLO C=C1CC(c2noc([C@H]3C[N@@H+](C)C[C@H](C)O3)n2)C1 ZINC000924122570 645987617 /nfs/dbraw/zinc/98/76/17/645987617.db2.gz NFIWMVXAINUTJM-GXSJLCMTSA-N 1 2 249.314 1.895 20 30 BDEDLO C=C1CC(c2noc([C@H]3C[N@H+](C)C[C@H](C)O3)n2)C1 ZINC000924122570 645987622 /nfs/dbraw/zinc/98/76/22/645987622.db2.gz NFIWMVXAINUTJM-GXSJLCMTSA-N 1 2 249.314 1.895 20 30 BDEDLO COC(=O)/C=C(/C)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000930086694 646425463 /nfs/dbraw/zinc/42/54/63/646425463.db2.gz IEFQMXKFVRTSMU-YAEJEKNGSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C=C(/C)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000930086694 646425468 /nfs/dbraw/zinc/42/54/68/646425468.db2.gz IEFQMXKFVRTSMU-YAEJEKNGSA-N 1 2 236.315 1.730 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2csc(C)n2)CC1 ZINC000708122046 712182373 /nfs/dbraw/zinc/18/23/73/712182373.db2.gz MDLVQBAOEAWBGN-UHFFFAOYSA-N 1 2 236.340 1.412 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)CCc1ccns1 ZINC000719854055 712825880 /nfs/dbraw/zinc/82/58/80/712825880.db2.gz CVKPZSNBDOMXFG-VIFPVBQESA-N 1 2 209.318 1.777 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)CCc1ccns1 ZINC000719854055 712825882 /nfs/dbraw/zinc/82/58/82/712825882.db2.gz CVKPZSNBDOMXFG-VIFPVBQESA-N 1 2 209.318 1.777 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719854795 712826007 /nfs/dbraw/zinc/82/60/07/712826007.db2.gz IFNWXEOKJWTDEB-SNVBAGLBSA-N 1 2 221.329 1.921 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719854795 712826008 /nfs/dbraw/zinc/82/60/08/712826008.db2.gz IFNWXEOKJWTDEB-SNVBAGLBSA-N 1 2 221.329 1.921 20 30 BDEDLO C=C(Cl)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000381557192 710654910 /nfs/dbraw/zinc/65/49/10/710654910.db2.gz PBWHIDDMEIWOTQ-UHFFFAOYSA-N 1 2 240.690 1.722 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001038222052 710679495 /nfs/dbraw/zinc/67/94/95/710679495.db2.gz JCGBKLOFJXKXDX-NSHDSACASA-N 1 2 245.326 1.014 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001038222052 710679499 /nfs/dbraw/zinc/67/94/99/710679499.db2.gz JCGBKLOFJXKXDX-NSHDSACASA-N 1 2 245.326 1.014 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001042433618 710782874 /nfs/dbraw/zinc/78/28/74/710782874.db2.gz AZZICGXJCXLEBX-ZYHUDNBSSA-N 1 2 222.332 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC001043114588 710804694 /nfs/dbraw/zinc/80/46/94/710804694.db2.gz CWXZPRBMGVGWAO-UHFFFAOYSA-N 1 2 244.338 1.558 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001044292441 710823889 /nfs/dbraw/zinc/82/38/89/710823889.db2.gz MOHFREVQMJWDFD-UHFFFAOYSA-N 1 2 245.326 1.103 20 30 BDEDLO C#C[C@H](CC)[NH2+]Cc1nnc(CC)s1 ZINC000391918186 711142238 /nfs/dbraw/zinc/14/22/38/711142238.db2.gz CGHQYRAGIRAIDQ-MRVPVSSYSA-N 1 2 209.318 1.602 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001038218582 711537356 /nfs/dbraw/zinc/53/73/56/711537356.db2.gz FHKLYMOGOBGISQ-GFCCVEGCSA-N 1 2 245.326 1.151 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001038218582 711537359 /nfs/dbraw/zinc/53/73/59/711537359.db2.gz FHKLYMOGOBGISQ-GFCCVEGCSA-N 1 2 245.326 1.151 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1 ZINC001038041035 711554652 /nfs/dbraw/zinc/55/46/52/711554652.db2.gz DIHUMMDJRLKRQB-LBPRGKRZSA-N 1 2 248.351 1.576 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1 ZINC001038041035 711554655 /nfs/dbraw/zinc/55/46/55/711554655.db2.gz DIHUMMDJRLKRQB-LBPRGKRZSA-N 1 2 248.351 1.576 20 30 BDEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721545149 711621304 /nfs/dbraw/zinc/62/13/04/711621304.db2.gz QRBKVYZXJQPWKT-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@@]1(C)COCC[N@H+]1Cc1cncc(C#N)c1 ZINC000721545149 711621307 /nfs/dbraw/zinc/62/13/07/711621307.db2.gz QRBKVYZXJQPWKT-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)NCC2(C#N)CC2)c[nH+]1 ZINC000897635478 711798668 /nfs/dbraw/zinc/79/86/68/711798668.db2.gz CGGSNRZVBOVOBC-UHFFFAOYSA-N 1 2 246.314 1.347 20 30 BDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(F)F ZINC001032248611 711908207 /nfs/dbraw/zinc/90/82/07/711908207.db2.gz UUIAXKIIOPIECJ-UWVGGRQHSA-N 1 2 244.285 1.503 20 30 BDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(F)F ZINC001032248611 711908209 /nfs/dbraw/zinc/90/82/09/711908209.db2.gz UUIAXKIIOPIECJ-UWVGGRQHSA-N 1 2 244.285 1.503 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(C)C ZINC001032360541 711914047 /nfs/dbraw/zinc/91/40/47/711914047.db2.gz MONCFBAKCIPJDN-AVGNSLFASA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(C)C ZINC001032360541 711914048 /nfs/dbraw/zinc/91/40/48/711914048.db2.gz MONCFBAKCIPJDN-AVGNSLFASA-N 1 2 246.354 1.341 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001032576166 711926679 /nfs/dbraw/zinc/92/66/79/711926679.db2.gz OTIWZMCBJYYBDU-RYUDHWBXSA-N 1 2 246.310 1.673 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001032576166 711926681 /nfs/dbraw/zinc/92/66/81/711926681.db2.gz OTIWZMCBJYYBDU-RYUDHWBXSA-N 1 2 246.310 1.673 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001043035565 711930831 /nfs/dbraw/zinc/93/08/31/711930831.db2.gz IUTFBQLHBFIGIZ-JTQLQIEISA-N 1 2 244.285 1.360 20 30 BDEDLO C#CCC[N@@H+](CCOC)CC(=O)c1cccn1C ZINC000852752344 712612925 /nfs/dbraw/zinc/61/29/25/712612925.db2.gz ULEQATFCSTWDBK-UHFFFAOYSA-N 1 2 248.326 1.180 20 30 BDEDLO C#CCC[N@H+](CCOC)CC(=O)c1cccn1C ZINC000852752344 712612926 /nfs/dbraw/zinc/61/29/26/712612926.db2.gz ULEQATFCSTWDBK-UHFFFAOYSA-N 1 2 248.326 1.180 20 30 BDEDLO CCN(CC(C)(C)O)c1cc(CC#N)cc[nH+]1 ZINC001167156976 957498698 /nfs/dbraw/zinc/49/86/98/957498698.db2.gz QNRYQHSMPHKNGN-UHFFFAOYSA-N 1 2 233.315 1.745 20 30 BDEDLO C=C(C)C(=O)NCCCNc1c[nH+]ccc1C ZINC001167667706 959298184 /nfs/dbraw/zinc/29/81/84/959298184.db2.gz OWHSZTKYVCLEHO-UHFFFAOYSA-N 1 2 233.315 1.884 20 30 BDEDLO Cn1cccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896505929 963468840 /nfs/dbraw/zinc/46/88/40/963468840.db2.gz QBTVBBNDJRFLEG-LLVKDONJSA-N 1 2 203.289 1.761 20 30 BDEDLO Cn1cccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896505929 963468851 /nfs/dbraw/zinc/46/88/51/963468851.db2.gz QBTVBBNDJRFLEG-LLVKDONJSA-N 1 2 203.289 1.761 20 30 BDEDLO CC(C)[C@H](CO)Nc1[nH+]cccc1CC#N ZINC001161737213 964724390 /nfs/dbraw/zinc/72/43/90/964724390.db2.gz NOSHHSYYZGCSRG-NSHDSACASA-N 1 2 219.288 1.576 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698995564 965666619 /nfs/dbraw/zinc/66/66/19/965666619.db2.gz DFCIFWBRIPAUPN-GXSJLCMTSA-N 1 2 248.273 1.271 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698995564 965666634 /nfs/dbraw/zinc/66/66/34/965666634.db2.gz DFCIFWBRIPAUPN-GXSJLCMTSA-N 1 2 248.273 1.271 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252617165 968875531 /nfs/dbraw/zinc/87/55/31/968875531.db2.gz ZOQFLFSKYKJRHO-RYUDHWBXSA-N 1 2 243.347 1.491 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252620971 968883691 /nfs/dbraw/zinc/88/36/91/968883691.db2.gz STQAHTAHRODJDQ-MNOVXSKESA-N 1 2 229.320 1.245 20 30 BDEDLO COCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209218104 969405915 /nfs/dbraw/zinc/40/59/15/969405915.db2.gz QTAYTZAIIDWMBO-LLVKDONJSA-N 1 2 241.356 1.687 20 30 BDEDLO COCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209218104 969405918 /nfs/dbraw/zinc/40/59/18/969405918.db2.gz QTAYTZAIIDWMBO-LLVKDONJSA-N 1 2 241.356 1.687 20 30 BDEDLO C[C@@H]1CC(C[NH+]2CC(C#N)C2)C[C@@H](C)O1 ZINC001209377652 969453214 /nfs/dbraw/zinc/45/32/14/969453214.db2.gz GXBSOFSKLNYAJY-NXEZZACHSA-N 1 2 208.305 1.645 20 30 BDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)ncc1Cl ZINC001156321192 969640235 /nfs/dbraw/zinc/64/02/35/969640235.db2.gz TVQYVXGMOFGNSO-VIFPVBQESA-N 1 2 236.706 1.345 20 30 BDEDLO C=CC[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254666387 969775958 /nfs/dbraw/zinc/77/59/58/969775958.db2.gz VGJQKTFRRMNAFA-CHWSQXEVSA-N 1 2 219.332 1.482 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cncnc1 ZINC001255154393 969959535 /nfs/dbraw/zinc/95/95/35/969959535.db2.gz BZVUAWGJQSUTRU-KOLCDFICSA-N 1 2 204.277 1.819 20 30 BDEDLO C#C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001336799934 977971053 /nfs/dbraw/zinc/97/10/53/977971053.db2.gz AZRGKRZXDXLIMX-NSHDSACASA-N 1 2 238.674 1.881 20 30 BDEDLO COC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232481847 978132547 /nfs/dbraw/zinc/13/25/47/978132547.db2.gz JMJZVRILLQRMEO-GFCCVEGCSA-N 1 2 217.272 1.174 20 30 BDEDLO COC[C@H]1CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232481847 978132551 /nfs/dbraw/zinc/13/25/51/978132551.db2.gz JMJZVRILLQRMEO-GFCCVEGCSA-N 1 2 217.272 1.174 20 30 BDEDLO Cc1ccc(C[NH+]2CC(C)(CO)C2)c(C#N)c1 ZINC001232961894 978362311 /nfs/dbraw/zinc/36/23/11/978362311.db2.gz INAWNCAFAGXNJA-UHFFFAOYSA-N 1 2 230.311 1.681 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177930079 978479310 /nfs/dbraw/zinc/47/93/10/978479310.db2.gz ZHTHCSYIUXZVEE-NXEZZACHSA-N 1 2 220.276 1.253 20 30 BDEDLO C=CCN1CC[NH+](Cc2sncc2C)CC1 ZINC001233321057 978556916 /nfs/dbraw/zinc/55/69/16/978556916.db2.gz YQOSVTUTGHPDNT-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO C=CC[NH+]1CCN(Cc2sncc2C)CC1 ZINC001233321057 978556922 /nfs/dbraw/zinc/55/69/22/978556922.db2.gz YQOSVTUTGHPDNT-UHFFFAOYSA-N 1 2 237.372 1.755 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)OCC)CC1 ZINC001181152383 979011803 /nfs/dbraw/zinc/01/18/03/979011803.db2.gz VLSUPDINPBTWMV-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ncon1 ZINC001346311359 980808989 /nfs/dbraw/zinc/80/89/89/980808989.db2.gz GBWZJWOHMDROJZ-RKDXNWHRSA-N 1 2 238.291 1.021 20 30 BDEDLO C(=NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC001327714884 972707864 /nfs/dbraw/zinc/70/78/64/972707864.db2.gz RYDFTNBDUDGXDT-TXEJJXNPSA-N 1 2 224.304 1.262 20 30 BDEDLO C(=NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC001327714884 972707875 /nfs/dbraw/zinc/70/78/75/972707875.db2.gz RYDFTNBDUDGXDT-TXEJJXNPSA-N 1 2 224.304 1.262 20 30 BDEDLO N#Cc1c(F)cncc1-c1ccc[nH+]c1N ZINC001243475085 970773006 /nfs/dbraw/zinc/77/30/06/970773006.db2.gz DLHMHUPKIGCTPB-UHFFFAOYSA-N 1 2 214.203 1.737 20 30 BDEDLO N#CC1CCC([N@@H+]2CCCC(=O)C2)CC1 ZINC001256969810 971043742 /nfs/dbraw/zinc/04/37/42/971043742.db2.gz PMDSTYWOCNVQPG-UHFFFAOYSA-N 1 2 206.289 1.734 20 30 BDEDLO N#CC1CCC([N@H+]2CCCC(=O)C2)CC1 ZINC001256969810 971043754 /nfs/dbraw/zinc/04/37/54/971043754.db2.gz PMDSTYWOCNVQPG-UHFFFAOYSA-N 1 2 206.289 1.734 20 30 BDEDLO COC(=O)CC1CCC([NH+]2CC(C#N)C2)CC1 ZINC001256980793 971055513 /nfs/dbraw/zinc/05/55/13/971055513.db2.gz CMBLURUEPVBHCW-UHFFFAOYSA-N 1 2 236.315 1.564 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257074972 971089950 /nfs/dbraw/zinc/08/99/50/971089950.db2.gz XYKREDTXNOTKSJ-NRPADANISA-N 1 2 247.360 1.003 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404072062 971118946 /nfs/dbraw/zinc/11/89/46/971118946.db2.gz VAHIRJUVYZOPAI-QMMMGPOBSA-N 1 2 225.666 1.688 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404072062 971118954 /nfs/dbraw/zinc/11/89/54/971118954.db2.gz VAHIRJUVYZOPAI-QMMMGPOBSA-N 1 2 225.666 1.688 20 30 BDEDLO C=CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471495 971274344 /nfs/dbraw/zinc/27/43/44/971274344.db2.gz KXLHYGUSDINSEJ-SSDOTTSWSA-N 1 2 242.216 1.169 20 30 BDEDLO C=CC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158471495 971274353 /nfs/dbraw/zinc/27/43/53/971274353.db2.gz KXLHYGUSDINSEJ-SSDOTTSWSA-N 1 2 242.216 1.169 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1CCCCC1 ZINC001257449576 971367174 /nfs/dbraw/zinc/36/71/74/971367174.db2.gz KCPIZIFSWZBDCA-VIFPVBQESA-N 1 2 217.334 1.380 20 30 BDEDLO C#CCON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000812234634 971476522 /nfs/dbraw/zinc/47/65/22/971476522.db2.gz NNFOMQCLOIGJHF-UHFFFAOYSA-N 1 2 225.251 1.856 20 30 BDEDLO CC#Cc1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258057729 971580404 /nfs/dbraw/zinc/58/04/04/971580404.db2.gz JHXZRYDKERMNQX-GHMZBOCLSA-N 1 2 249.314 1.093 20 30 BDEDLO C#CC1CC[NH+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000830326367 971864525 /nfs/dbraw/zinc/86/45/25/971864525.db2.gz MGSPXBADEOWOLV-JTQLQIEISA-N 1 2 249.314 1.622 20 30 BDEDLO C[N@@H+]1CCc2ncnc(NCCCS)c2C1 ZINC001171004322 972230549 /nfs/dbraw/zinc/23/05/49/972230549.db2.gz YYBGWFVMCJWHAK-UHFFFAOYSA-N 1 2 238.360 1.196 20 30 BDEDLO C[N@H+]1CCc2ncnc(NCCCS)c2C1 ZINC001171004322 972230550 /nfs/dbraw/zinc/23/05/50/972230550.db2.gz YYBGWFVMCJWHAK-UHFFFAOYSA-N 1 2 238.360 1.196 20 30 BDEDLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)c(N(C)C)[nH+]1 ZINC001266515802 957715546 /nfs/dbraw/zinc/71/55/46/957715546.db2.gz KBDSLTJVDGNTDN-NXEZZACHSA-N 1 2 244.298 1.554 20 30 BDEDLO Cc1ccn2c(C[NH+]3CC(CC#N)C3)cnc2c1 ZINC001136885439 972296271 /nfs/dbraw/zinc/29/62/71/972296271.db2.gz WPEWYUIFOIVBHO-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO COc1cc(Nc2cnc(C#N)cn2)cc(C)[nH+]1 ZINC001210776020 957874710 /nfs/dbraw/zinc/87/47/10/957874710.db2.gz KWUYWJUFMKAUSX-UHFFFAOYSA-N 1 2 241.254 1.804 20 30 BDEDLO C#C[C@@H]1CCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222139186 972390199 /nfs/dbraw/zinc/39/01/99/972390199.db2.gz QBPVEAFHWWAFQI-NEPJUHHUSA-N 1 2 204.273 1.702 20 30 BDEDLO CCOC(C[N@@H+]1CC[C@](C)(C#N)C1)OCC ZINC000693971087 959622672 /nfs/dbraw/zinc/62/26/72/959622672.db2.gz FCBKEYCOFPQNMG-GFCCVEGCSA-N 1 2 226.320 1.621 20 30 BDEDLO CCOC(C[N@H+]1CC[C@](C)(C#N)C1)OCC ZINC000693971087 959622680 /nfs/dbraw/zinc/62/26/80/959622680.db2.gz FCBKEYCOFPQNMG-GFCCVEGCSA-N 1 2 226.320 1.621 20 30 BDEDLO O=C(CCS)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001143986478 972445185 /nfs/dbraw/zinc/44/51/85/972445185.db2.gz OFEJRXMHLIMKED-UHFFFAOYSA-N 1 2 239.344 1.436 20 30 BDEDLO O=C(CCS)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001143986478 972445187 /nfs/dbraw/zinc/44/51/87/972445187.db2.gz OFEJRXMHLIMKED-UHFFFAOYSA-N 1 2 239.344 1.436 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2CCO)c1 ZINC000694965308 960059320 /nfs/dbraw/zinc/05/93/20/960059320.db2.gz NDIHEUFKZBTSDD-CQSZACIVSA-N 1 2 246.310 1.141 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2CCO)c1 ZINC000694965308 960059328 /nfs/dbraw/zinc/05/93/28/960059328.db2.gz NDIHEUFKZBTSDD-CQSZACIVSA-N 1 2 246.310 1.141 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCC1C[NH+](CCF)C1 ZINC001267691937 960208894 /nfs/dbraw/zinc/20/88/94/960208894.db2.gz XCTQIGRWVNQHBR-CYBMUJFWSA-N 1 2 242.338 1.606 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCCOc1cc[nH+]cc1 ZINC001144027336 972501259 /nfs/dbraw/zinc/50/12/59/972501259.db2.gz BMOJNZIDBWQWEJ-LLVKDONJSA-N 1 2 234.299 1.789 20 30 BDEDLO C=CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001167758553 960574801 /nfs/dbraw/zinc/57/48/01/960574801.db2.gz WBPHUNKLYYAXFU-UHFFFAOYSA-N 1 2 245.282 1.495 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cnccc2C)CC1 ZINC001141036389 960826029 /nfs/dbraw/zinc/82/60/29/960826029.db2.gz ZEJOVSPTPWQWSO-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO C#CCSCCNc1cc(NC2CC2)nc[nH+]1 ZINC000840266011 961162769 /nfs/dbraw/zinc/16/27/69/961162769.db2.gz JYQKSKIIHSKPGD-UHFFFAOYSA-N 1 2 248.355 1.829 20 30 BDEDLO C#CCSCCNc1cc(NC2CC2)[nH+]cn1 ZINC000840266011 961162794 /nfs/dbraw/zinc/16/27/94/961162794.db2.gz JYQKSKIIHSKPGD-UHFFFAOYSA-N 1 2 248.355 1.829 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)C(F)F)C1 ZINC001481583105 961268798 /nfs/dbraw/zinc/26/87/98/961268798.db2.gz WODLEFJLIVUUAP-UHFFFAOYSA-N 1 2 244.285 1.101 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cccn3ccnc23)C1 ZINC001142962049 961856491 /nfs/dbraw/zinc/85/64/91/961856491.db2.gz VFHAWTXVNYBOQD-LLVKDONJSA-N 1 2 226.283 1.680 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cccn3ccnc23)C1 ZINC001142962049 961856494 /nfs/dbraw/zinc/85/64/94/961856494.db2.gz VFHAWTXVNYBOQD-LLVKDONJSA-N 1 2 226.283 1.680 20 30 BDEDLO C[C@H](C#N)N(C)Cc1cccn2cc[nH+]c12 ZINC001142959898 961857187 /nfs/dbraw/zinc/85/71/87/961857187.db2.gz DRCVMZUPHIDRJT-SNVBAGLBSA-N 1 2 214.272 1.678 20 30 BDEDLO N#CCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001143205114 961940873 /nfs/dbraw/zinc/94/08/73/961940873.db2.gz MDQDRBDRCMTWAY-LLVKDONJSA-N 1 2 244.298 1.080 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC001203137965 962035054 /nfs/dbraw/zinc/03/50/54/962035054.db2.gz QZASDNPNCAQMJX-SNVBAGLBSA-N 1 2 242.282 1.958 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC001203137965 962035089 /nfs/dbraw/zinc/03/50/89/962035089.db2.gz QZASDNPNCAQMJX-SNVBAGLBSA-N 1 2 242.282 1.958 20 30 BDEDLO C=C(C)C(=O)OC[C@H](C)Oc1cc[nH+]cc1 ZINC001225291467 962047274 /nfs/dbraw/zinc/04/72/74/962047274.db2.gz UYJFXTLYEGDTLX-JTQLQIEISA-N 1 2 221.256 1.968 20 30 BDEDLO C=CCSCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001154100825 962711278 /nfs/dbraw/zinc/71/12/78/962711278.db2.gz UXNVLOQMVBLRLP-UHFFFAOYSA-N 1 2 239.344 1.296 20 30 BDEDLO C=CCCC(=O)N(C)C1C[NH+](CCOCC)C1 ZINC001269763945 962787760 /nfs/dbraw/zinc/78/77/60/962787760.db2.gz JIDAHHBPCDAEKR-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1nccc2ccccc21 ZINC001156321218 963313861 /nfs/dbraw/zinc/31/38/61/963313861.db2.gz VAFYUVCYBPKCMQ-LBPRGKRZSA-N 1 2 238.294 1.537 20 30 BDEDLO Cc1cc(Cl)cc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156321040 963314064 /nfs/dbraw/zinc/31/40/64/963314064.db2.gz NBUGLPDQCWRWIR-JTQLQIEISA-N 1 2 236.706 1.345 20 30 BDEDLO N#CCc1ccnc(NCc2cc[nH+]c(N)c2)c1 ZINC001156756692 963455019 /nfs/dbraw/zinc/45/50/19/963455019.db2.gz DCWXAIVWLJYLDO-UHFFFAOYSA-N 1 2 239.282 1.737 20 30 BDEDLO C=C[C@](C)(O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156799847 963464946 /nfs/dbraw/zinc/46/49/46/963464946.db2.gz GAQURVSWSDYXPQ-ZDUSSCGKSA-N 1 2 245.282 1.600 20 30 BDEDLO CC(C)(CCO)Nc1cc(CC#N)cc[nH+]1 ZINC001156913461 963494922 /nfs/dbraw/zinc/49/49/22/963494922.db2.gz SNQIYWQZXZWIEN-UHFFFAOYSA-N 1 2 219.288 1.721 20 30 BDEDLO N#CCc1cc[nH+]c(NCc2ccc(=O)[nH]c2)c1 ZINC001157516306 963640098 /nfs/dbraw/zinc/64/00/98/963640098.db2.gz KLNFWJRDVIIISP-UHFFFAOYSA-N 1 2 240.266 1.860 20 30 BDEDLO Cc1c[nH+]c(NC[C@H]2C[C@@](C)(O)C2)c(/C=N/O)c1 ZINC001157559768 963661842 /nfs/dbraw/zinc/66/18/42/963661842.db2.gz ZNGSWYXAGOHUTM-CRVYMCJFSA-N 1 2 249.314 1.771 20 30 BDEDLO CCCCCC#CC(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001271953624 963701438 /nfs/dbraw/zinc/70/14/38/963701438.db2.gz IBTXLMWTUUQCGO-UHFFFAOYSA-N 1 2 234.343 1.487 20 30 BDEDLO CCCCCC#CC(=O)N1CC2(CC[N@H+]2C)C1 ZINC001271953624 963701445 /nfs/dbraw/zinc/70/14/45/963701445.db2.gz IBTXLMWTUUQCGO-UHFFFAOYSA-N 1 2 234.343 1.487 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001038117680 964594727 /nfs/dbraw/zinc/59/47/27/964594727.db2.gz BCRVJLQUFMXADB-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001038117680 964594743 /nfs/dbraw/zinc/59/47/43/964594743.db2.gz BCRVJLQUFMXADB-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO CC(=O)NCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001161658471 964666234 /nfs/dbraw/zinc/66/62/34/964666234.db2.gz ANMHNBVMUDKKBJ-UHFFFAOYSA-N 1 2 244.298 1.185 20 30 BDEDLO N#Cc1cnc(NCCn2cc[nH+]c2)c(F)c1 ZINC001161964381 964837405 /nfs/dbraw/zinc/83/74/05/964837405.db2.gz HKXILRPTYSUXLA-UHFFFAOYSA-N 1 2 231.234 1.401 20 30 BDEDLO C#C[C@H](C)Nc1[nH+]ccc(C)c1NC(C)=O ZINC001163160834 965273283 /nfs/dbraw/zinc/27/32/83/965273283.db2.gz FQBXVAJKALDZIC-VIFPVBQESA-N 1 2 217.272 1.782 20 30 BDEDLO C#C[C@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC001163161568 965277999 /nfs/dbraw/zinc/27/79/99/965277999.db2.gz OMQUEEHUBSTQBU-JTQLQIEISA-N 1 2 248.355 1.463 20 30 BDEDLO C#C[C@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001163161568 965278006 /nfs/dbraw/zinc/27/80/06/965278006.db2.gz OMQUEEHUBSTQBU-JTQLQIEISA-N 1 2 248.355 1.463 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001483673033 965416335 /nfs/dbraw/zinc/41/63/35/965416335.db2.gz MCEHTSMRPBZTIV-HIFRSBDPSA-N 1 2 246.354 1.557 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001483673033 965416343 /nfs/dbraw/zinc/41/63/43/965416343.db2.gz MCEHTSMRPBZTIV-HIFRSBDPSA-N 1 2 246.354 1.557 20 30 BDEDLO CCOC(=O)C[N@H+](CC1(CC#N)CC1)C(C)C ZINC000088256879 965449464 /nfs/dbraw/zinc/44/94/64/965449464.db2.gz CGDSCFXXUGSDNX-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO CCOC(=O)C[N@@H+](CC1(CC#N)CC1)C(C)C ZINC000088256879 965449476 /nfs/dbraw/zinc/44/94/76/965449476.db2.gz CGDSCFXXUGSDNX-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC3(CC(O)C3)C2)c1 ZINC001163738077 965556618 /nfs/dbraw/zinc/55/66/18/965556618.db2.gz JQVYMDJBDKLQQX-UHFFFAOYSA-N 1 2 229.283 1.109 20 30 BDEDLO C[C@@H]1[C@H](CO)CCN1c1cc(CC#N)cc[nH+]1 ZINC001164055787 965721882 /nfs/dbraw/zinc/72/18/82/965721882.db2.gz FCWNHNLLKWCVTM-PWSUYJOCSA-N 1 2 231.299 1.355 20 30 BDEDLO C[C@]1(CO)CCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001164146548 965762268 /nfs/dbraw/zinc/76/22/68/965762268.db2.gz BPLIFTHYKQVXJM-ZDUSSCGKSA-N 1 2 231.299 1.356 20 30 BDEDLO C[C@@H](Cc1cccc(F)c1)N1CC[NH2+]C[C@@H]1C#N ZINC001168480596 965885883 /nfs/dbraw/zinc/88/58/83/965885883.db2.gz NTQDBNWCPVFUMK-FZMZJTMJSA-N 1 2 247.317 1.554 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(C2CC2)ccn1 ZINC001164652985 965942658 /nfs/dbraw/zinc/94/26/58/965942658.db2.gz XNLOMKNJHILZIB-GFCCVEGCSA-N 1 2 228.299 1.261 20 30 BDEDLO C[C@@H](CCO)Nc1[nH+]cccc1CC#N ZINC001165858826 966173543 /nfs/dbraw/zinc/17/35/43/966173543.db2.gz OMHROAGIEPMLOJ-VIFPVBQESA-N 1 2 205.261 1.330 20 30 BDEDLO CC(=O)OC1CN(c2ccc(CC#N)c(C)[nH+]2)C1 ZINC001166639767 966342734 /nfs/dbraw/zinc/34/27/34/966342734.db2.gz ASUYTEOBLDWRQA-UHFFFAOYSA-N 1 2 245.282 1.208 20 30 BDEDLO Cn1cccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001203258816 966587533 /nfs/dbraw/zinc/58/75/33/966587533.db2.gz XLRJDIWHTLGVAS-GFCCVEGCSA-N 1 2 248.351 1.799 20 30 BDEDLO Cn1cccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001203258816 966587542 /nfs/dbraw/zinc/58/75/42/966587542.db2.gz XLRJDIWHTLGVAS-GFCCVEGCSA-N 1 2 248.351 1.799 20 30 BDEDLO C#Cc1cc(Nc2ccc(NC)[nH+]c2)ccn1 ZINC001203447978 966648257 /nfs/dbraw/zinc/64/82/57/966648257.db2.gz RXFLDDMLBBMKKU-UHFFFAOYSA-N 1 2 224.267 1.665 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc(O)c(O)c2)C1 ZINC001203874133 966804970 /nfs/dbraw/zinc/80/49/70/966804970.db2.gz PNMHJFLWTRQWBY-UHFFFAOYSA-N 1 2 218.256 1.443 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC001203984049 966841329 /nfs/dbraw/zinc/84/13/29/966841329.db2.gz WZSNSDSLOWTHQO-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC001203984049 966841334 /nfs/dbraw/zinc/84/13/34/966841334.db2.gz WZSNSDSLOWTHQO-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO COc1ccc(C#N)cc1CC[NH+]1CCOCC1 ZINC001250277817 967610664 /nfs/dbraw/zinc/61/06/64/967610664.db2.gz OCNWJDUJBSUQOJ-UHFFFAOYSA-N 1 2 246.310 1.442 20 30 BDEDLO N#Cc1cc(C[NH+]2CC3(CC(O)C3)C2)ccc1F ZINC001205455234 967633288 /nfs/dbraw/zinc/63/32/88/967633288.db2.gz BFUPGZOLPSXCNK-UHFFFAOYSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1cc(CCn2cc[nH+]c2)ccc1N ZINC001250319565 967694532 /nfs/dbraw/zinc/69/45/32/967694532.db2.gz VLJGVFBYPSKHKF-UHFFFAOYSA-N 1 2 212.256 1.580 20 30 BDEDLO C#Cc1nccnc1Nc1ccc(NC)[nH+]c1 ZINC001203448715 967723637 /nfs/dbraw/zinc/72/36/37/967723637.db2.gz GMDBNVKRBSQOSF-UHFFFAOYSA-N 1 2 225.255 1.638 20 30 BDEDLO Cc1ccc(N2CC[NH2+]C[C@H]2C#N)nc1C ZINC001164640579 968256727 /nfs/dbraw/zinc/25/67/27/968256727.db2.gz BRVUKLDJZHPVJH-LLVKDONJSA-N 1 2 216.288 1.000 20 30 BDEDLO C#CCN1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC001206853426 968499744 /nfs/dbraw/zinc/49/97/44/968499744.db2.gz SJMUTMONZJQEDK-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO CCCC[N@H+](CCC#N)CC(OC)OC ZINC001207253574 968691905 /nfs/dbraw/zinc/69/19/05/968691905.db2.gz NFNHFUAUYWOGHG-UHFFFAOYSA-N 1 2 214.309 1.621 20 30 BDEDLO CCCC[N@@H+](CCC#N)CC(OC)OC ZINC001207253574 968691907 /nfs/dbraw/zinc/69/19/07/968691907.db2.gz NFNHFUAUYWOGHG-UHFFFAOYSA-N 1 2 214.309 1.621 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001085467292 968742323 /nfs/dbraw/zinc/74/23/23/968742323.db2.gz OWHNYZFIQBJANC-NSHDSACASA-N 1 2 248.351 1.528 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001085467292 968742329 /nfs/dbraw/zinc/74/23/29/968742329.db2.gz OWHNYZFIQBJANC-NSHDSACASA-N 1 2 248.351 1.528 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001252541465 968774196 /nfs/dbraw/zinc/77/41/96/968774196.db2.gz MDRQYJJWIBIANR-GFCCVEGCSA-N 1 2 241.331 1.389 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001252581848 968835339 /nfs/dbraw/zinc/83/53/39/968835339.db2.gz KNMHCJZMQPVTMN-GXFFZTMASA-N 1 2 243.347 1.633 20 30 BDEDLO N#CCc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241161999 968941694 /nfs/dbraw/zinc/94/16/94/968941694.db2.gz FHAFBMUJUNBCAP-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO N#CCC1C[NH+](CCOC(=O)c2ccccc2)C1 ZINC001209040116 969330772 /nfs/dbraw/zinc/33/07/72/969330772.db2.gz IAWMRRCYDMMLBH-UHFFFAOYSA-N 1 2 244.294 1.689 20 30 BDEDLO N#CC1(c2cc[nH+]c(NCC3OCCO3)c2)CC1 ZINC001169064493 969378353 /nfs/dbraw/zinc/37/83/53/969378353.db2.gz NZAHYEXGAGWKLD-UHFFFAOYSA-N 1 2 245.282 1.422 20 30 BDEDLO C#CCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209261605 969414174 /nfs/dbraw/zinc/41/41/74/969414174.db2.gz FQCVLYRLFDXZPE-JTQLQIEISA-N 1 2 217.259 1.492 20 30 BDEDLO C#CCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209261605 969414178 /nfs/dbraw/zinc/41/41/78/969414178.db2.gz FQCVLYRLFDXZPE-JTQLQIEISA-N 1 2 217.259 1.492 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2c(n1)CCCC2 ZINC001156320356 969637376 /nfs/dbraw/zinc/63/73/76/969637376.db2.gz YXJWTLZLYZZQLE-LBPRGKRZSA-N 1 2 242.326 1.262 20 30 BDEDLO C#Cc1cc(Nc2cnc(OC)cc2C)cc[nH+]1 ZINC001209868178 969673980 /nfs/dbraw/zinc/67/39/80/969673980.db2.gz HTPPNYUMPOPEQJ-UHFFFAOYSA-N 1 2 239.278 1.940 20 30 BDEDLO C=CC[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254666389 969774792 /nfs/dbraw/zinc/77/47/92/969774792.db2.gz VGJQKTFRRMNAFA-QWHCGFSZSA-N 1 2 219.332 1.482 20 30 BDEDLO CC#CC[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210224978 969838607 /nfs/dbraw/zinc/83/86/07/969838607.db2.gz MELMNFWKJKQJES-CYBMUJFWSA-N 1 2 225.332 1.527 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cncn1CCOC ZINC001255154214 969959304 /nfs/dbraw/zinc/95/93/04/969959304.db2.gz FKFGZSZRMNWMMS-LLVKDONJSA-N 1 2 236.319 1.311 20 30 BDEDLO C#Cc1cc(Nc2cc(C)[nH+]c(OC)c2)ccn1 ZINC001210776005 970028703 /nfs/dbraw/zinc/02/87/03/970028703.db2.gz KQPSZLMVQCCIFP-UHFFFAOYSA-N 1 2 239.278 1.940 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CO[C@@H](C)CC)CC1 ZINC001112771261 970172040 /nfs/dbraw/zinc/17/20/40/970172040.db2.gz NOTYXUDYEJATNS-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C[N@@H+]1CCC[C@H](NCc2cc(C#N)co2)C1 ZINC001255479214 970211245 /nfs/dbraw/zinc/21/12/45/970211245.db2.gz DJBVTNYVIVLZJE-NSHDSACASA-N 1 2 219.288 1.335 20 30 BDEDLO C[N@H+]1CCC[C@H](NCc2cc(C#N)co2)C1 ZINC001255479214 970211253 /nfs/dbraw/zinc/21/12/53/970211253.db2.gz DJBVTNYVIVLZJE-NSHDSACASA-N 1 2 219.288 1.335 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1CCCCCC1 ZINC001255881593 970544872 /nfs/dbraw/zinc/54/48/72/970544872.db2.gz PAESVTHOYJKKFZ-JTQLQIEISA-N 1 2 231.361 1.770 20 30 BDEDLO C=C(C)CCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170269447 970656179 /nfs/dbraw/zinc/65/61/79/970656179.db2.gz WUMUITWSXUONPG-UHFFFAOYSA-N 1 2 245.326 1.905 20 30 BDEDLO C#C[C@H]1CCC[C@H]1OCc1c[nH+]cn1C ZINC001222600103 972597297 /nfs/dbraw/zinc/59/72/97/972597297.db2.gz JIWFPSJMEBYEBF-CMPLNLGQSA-N 1 2 204.273 1.739 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144153982 972637059 /nfs/dbraw/zinc/63/70/59/972637059.db2.gz SYPICMZVPUQIHH-MWLCHTKSSA-N 1 2 219.263 1.886 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C#N)cn1 ZINC001144153982 972637074 /nfs/dbraw/zinc/63/70/74/972637074.db2.gz SYPICMZVPUQIHH-MWLCHTKSSA-N 1 2 219.263 1.886 20 30 BDEDLO N#CCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001328657536 973235730 /nfs/dbraw/zinc/23/57/30/973235730.db2.gz PLYRGFIWZJRLOR-LLVKDONJSA-N 1 2 246.314 1.398 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001329173982 973542011 /nfs/dbraw/zinc/54/20/11/973542011.db2.gz ZFPVZCROQXMEKI-VXGBXAGGSA-N 1 2 231.299 1.316 20 30 BDEDLO N#CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001329781255 973931532 /nfs/dbraw/zinc/93/15/32/973931532.db2.gz UWUOEUZBBUOMOS-GHMZBOCLSA-N 1 2 244.298 1.275 20 30 BDEDLO N#CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001329781255 973931541 /nfs/dbraw/zinc/93/15/41/973931541.db2.gz UWUOEUZBBUOMOS-GHMZBOCLSA-N 1 2 244.298 1.275 20 30 BDEDLO Cc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001225351751 974436004 /nfs/dbraw/zinc/43/60/04/974436004.db2.gz JKAQIVYCDDGUBX-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO Cc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001225351751 974436011 /nfs/dbraw/zinc/43/60/11/974436011.db2.gz JKAQIVYCDDGUBX-GQTXGERZSA-N 1 2 246.310 1.381 20 30 BDEDLO CC1(C#N)C[NH+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172222546 974456781 /nfs/dbraw/zinc/45/67/81/974456781.db2.gz VMKPLEWLPCGYJF-FGWVZKOKSA-N 1 2 206.289 1.542 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)CCOCC)C(=O)OC ZINC001172415624 974683267 /nfs/dbraw/zinc/68/32/67/974683267.db2.gz YIGBKZNRPRICQX-QWRGUYRKSA-N 1 2 229.320 1.509 20 30 BDEDLO Cc1ncoc1C[NH2+]Cc1ccc(C#N)cn1 ZINC001332294680 975044532 /nfs/dbraw/zinc/04/45/32/975044532.db2.gz CAHOBANOOUZBIR-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO N#CC1(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC001332365199 975074675 /nfs/dbraw/zinc/07/46/75/975074675.db2.gz MVPYJBYSYDFTOF-JTQLQIEISA-N 1 2 248.248 1.537 20 30 BDEDLO N#CC1(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC001332365199 975074683 /nfs/dbraw/zinc/07/46/83/975074683.db2.gz MVPYJBYSYDFTOF-JTQLQIEISA-N 1 2 248.248 1.537 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@@H]2CCCSC2)n1C ZINC001333218131 975573102 /nfs/dbraw/zinc/57/31/02/975573102.db2.gz DYIJMMZMSWNAIP-SNVBAGLBSA-N 1 2 238.360 1.548 20 30 BDEDLO Cc1nsc([NH+]=c2cc[nH]cc2)c1C#N ZINC001173879185 975907923 /nfs/dbraw/zinc/90/79/23/975907923.db2.gz KEQYODLRNHETJU-UHFFFAOYSA-N 1 2 216.269 1.884 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(OC)cc2C#N)C1 ZINC001228114858 975911247 /nfs/dbraw/zinc/91/12/47/975911247.db2.gz YVTWVBFBBLRJHC-UHFFFAOYSA-N 1 2 232.283 1.650 20 30 BDEDLO C=CC[N@H+](CN1C(=O)CC1(C)C)[C@@H](C)COC ZINC001333710440 976021475 /nfs/dbraw/zinc/02/14/75/976021475.db2.gz UZYKELYXGVRCIM-NSHDSACASA-N 1 2 240.347 1.478 20 30 BDEDLO C=CC[N@@H+](CN1C(=O)CC1(C)C)[C@@H](C)COC ZINC001333710440 976021489 /nfs/dbraw/zinc/02/14/89/976021489.db2.gz UZYKELYXGVRCIM-NSHDSACASA-N 1 2 240.347 1.478 20 30 BDEDLO C#Cc1cc(Nc2c(C)n[nH]c2C)cc[nH+]1 ZINC001174213153 976393125 /nfs/dbraw/zinc/39/31/25/976393125.db2.gz MAIXBNMVJKMHNG-UHFFFAOYSA-N 1 2 212.256 1.568 20 30 BDEDLO C#Cc1cc(Nc2c(C)nn(C)c2C)cc[nH+]1 ZINC001174224151 976419209 /nfs/dbraw/zinc/41/92/09/976419209.db2.gz NWYDCAZJWMMIDF-UHFFFAOYSA-N 1 2 226.283 1.579 20 30 BDEDLO C[C@H](C(=O)N[C@H](C#N)C1CCCC1)n1cc[nH+]c1 ZINC001334314034 976441872 /nfs/dbraw/zinc/44/18/72/976441872.db2.gz MSKMZWNBOWXFOO-ZYHUDNBSSA-N 1 2 246.314 1.643 20 30 BDEDLO C[C@]1([NH2+]Cc2cccc(F)c2C#N)CCNC1=O ZINC001335132870 976861106 /nfs/dbraw/zinc/86/11/06/976861106.db2.gz YLIBWUFSMKWOJE-ZDUSSCGKSA-N 1 2 247.273 1.066 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001335372785 977005319 /nfs/dbraw/zinc/00/53/19/977005319.db2.gz FNUGVZJRUUAACO-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)nc1 ZINC001335896232 977352747 /nfs/dbraw/zinc/35/27/47/977352747.db2.gz DZLZFFXXKQDHJI-GFCCVEGCSA-N 1 2 228.299 1.923 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491139 977613994 /nfs/dbraw/zinc/61/39/94/977613994.db2.gz GLLBWPJRYIPIQW-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491139 977613998 /nfs/dbraw/zinc/61/39/98/977613998.db2.gz GLLBWPJRYIPIQW-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO C#Cc1cccc(C[NH+]2CCC(=O)CC2)c1 ZINC001231655797 977667971 /nfs/dbraw/zinc/66/79/71/977667971.db2.gz BZHIDKZVXMWBAK-UHFFFAOYSA-N 1 2 213.280 1.833 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C#N)C2)n1 ZINC001231673228 977682176 /nfs/dbraw/zinc/68/21/76/977682176.db2.gz HNBZCAZOJTXCSJ-SNVBAGLBSA-N 1 2 217.272 1.441 20 30 BDEDLO Cc1ccc(O)c(C[N@H+]2CC[C@H](C#N)C2)n1 ZINC001231673228 977682188 /nfs/dbraw/zinc/68/21/88/977682188.db2.gz HNBZCAZOJTXCSJ-SNVBAGLBSA-N 1 2 217.272 1.441 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C)nc(C)c1 ZINC001232003881 977834710 /nfs/dbraw/zinc/83/47/10/977834710.db2.gz YJWCMBFULZIXKE-UHFFFAOYSA-N 1 2 212.296 1.767 20 30 BDEDLO C=CC[C@H]([NH2+]CC1(OC)CCC1)C(=O)OCC ZINC001336754868 977920869 /nfs/dbraw/zinc/92/08/69/977920869.db2.gz MFSOTCVRHKOOAC-NSHDSACASA-N 1 2 241.331 1.653 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)nc1C ZINC001232338459 978016227 /nfs/dbraw/zinc/01/62/27/978016227.db2.gz WVOMGKYBKWQBTH-UHFFFAOYSA-N 1 2 228.295 1.467 20 30 BDEDLO Cc1ncc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001176396026 978070960 /nfs/dbraw/zinc/07/09/60/978070960.db2.gz JFAITCUNDQYSLX-UHFFFAOYSA-N 1 2 243.270 1.424 20 30 BDEDLO Cc1[nH]c(CN2CC[C@@](C)(C#N)C2)c[nH+]1 ZINC001232466343 978121047 /nfs/dbraw/zinc/12/10/47/978121047.db2.gz XSTVCHDNJGHTLI-NSHDSACASA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1[nH]cc(CN2CC[C@@](C)(C#N)C2)[nH+]1 ZINC001232466343 978121048 /nfs/dbraw/zinc/12/10/48/978121048.db2.gz XSTVCHDNJGHTLI-NSHDSACASA-N 1 2 204.277 1.454 20 30 BDEDLO C#CC1(O)C[NH+](CCC[C@@H](C)CCC)C1 ZINC001176793867 978178220 /nfs/dbraw/zinc/17/82/20/978178220.db2.gz XBTVRLRIBKCGDY-LBPRGKRZSA-N 1 2 209.333 1.883 20 30 BDEDLO N#CCC1C[NH+](Cc2cc(F)ccc2N)C1 ZINC001232506336 978158884 /nfs/dbraw/zinc/15/88/84/978158884.db2.gz GAFDPTBFZPJQMU-UHFFFAOYSA-N 1 2 219.263 1.753 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548607 978172698 /nfs/dbraw/zinc/17/26/98/978172698.db2.gz SZBGWGQVINAXCA-SNVBAGLBSA-N 1 2 241.298 1.645 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548607 978172709 /nfs/dbraw/zinc/17/27/09/978172709.db2.gz SZBGWGQVINAXCA-SNVBAGLBSA-N 1 2 241.298 1.645 20 30 BDEDLO C#CC1(O)C[NH+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001176792625 978179222 /nfs/dbraw/zinc/17/92/22/978179222.db2.gz FMYHIFSIOLQAOT-CHWSQXEVSA-N 1 2 221.344 1.883 20 30 BDEDLO C#Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1F ZINC001176833228 978197597 /nfs/dbraw/zinc/19/75/97/978197597.db2.gz FLDVUBOVWZITDC-UHFFFAOYSA-N 1 2 243.241 1.711 20 30 BDEDLO COC[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674246 978228896 /nfs/dbraw/zinc/22/88/96/978228896.db2.gz UMGQZTVDLWHFJV-GFCCVEGCSA-N 1 2 246.310 1.732 20 30 BDEDLO COC[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674246 978228900 /nfs/dbraw/zinc/22/89/00/978228900.db2.gz UMGQZTVDLWHFJV-GFCCVEGCSA-N 1 2 246.310 1.732 20 30 BDEDLO N#CCC1C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232674163 978229974 /nfs/dbraw/zinc/22/99/74/978229974.db2.gz SHHDKDLNXMNOII-UHFFFAOYSA-N 1 2 227.267 1.609 20 30 BDEDLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674213 978230449 /nfs/dbraw/zinc/23/04/49/978230449.db2.gz SYCLPCCMPYMZMH-ZWNOBZJWSA-N 1 2 246.310 1.609 20 30 BDEDLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674213 978230457 /nfs/dbraw/zinc/23/04/57/978230457.db2.gz SYCLPCCMPYMZMH-ZWNOBZJWSA-N 1 2 246.310 1.609 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC001232673700 978235427 /nfs/dbraw/zinc/23/54/27/978235427.db2.gz LGPYIWQLFHADBG-LBPRGKRZSA-N 1 2 246.310 1.468 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC001232673700 978235447 /nfs/dbraw/zinc/23/54/47/978235447.db2.gz LGPYIWQLFHADBG-LBPRGKRZSA-N 1 2 246.310 1.468 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+](C2CC2)C2COC2)c1 ZINC001232678640 978239218 /nfs/dbraw/zinc/23/92/18/978239218.db2.gz LDTNZKPSFNVMCU-UHFFFAOYSA-N 1 2 244.294 1.627 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+](C2CC2)C2COC2)c1 ZINC001232678640 978239227 /nfs/dbraw/zinc/23/92/27/978239227.db2.gz LDTNZKPSFNVMCU-UHFFFAOYSA-N 1 2 244.294 1.627 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001232678427 978240688 /nfs/dbraw/zinc/24/06/88/978240688.db2.gz YUJCFZFUXRCZOW-CQSZACIVSA-N 1 2 244.294 1.629 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001232678427 978240698 /nfs/dbraw/zinc/24/06/98/978240698.db2.gz YUJCFZFUXRCZOW-CQSZACIVSA-N 1 2 244.294 1.629 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)C1CCOCC1 ZINC001232674310 978245678 /nfs/dbraw/zinc/24/56/78/978245678.db2.gz VVVJDHWUGNNIFO-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C1CCOCC1 ZINC001232674310 978245691 /nfs/dbraw/zinc/24/56/91/978245691.db2.gz VVVJDHWUGNNIFO-UHFFFAOYSA-N 1 2 246.310 1.875 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C#N)ccc1O ZINC001232678323 978246901 /nfs/dbraw/zinc/24/69/01/978246901.db2.gz UVLNPLTVKNXDDD-UHFFFAOYSA-N 1 2 224.263 1.332 20 30 BDEDLO CC[N@H+](CCn1cccn1)Cc1[nH]ccc1C#N ZINC001233047756 978437022 /nfs/dbraw/zinc/43/70/22/978437022.db2.gz JGSKNOFAVQWLCE-UHFFFAOYSA-N 1 2 243.314 1.605 20 30 BDEDLO CC[N@@H+](CCn1cccn1)Cc1[nH]ccc1C#N ZINC001233047756 978437028 /nfs/dbraw/zinc/43/70/28/978437028.db2.gz JGSKNOFAVQWLCE-UHFFFAOYSA-N 1 2 243.314 1.605 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)OCCCC)C1 ZINC001337649539 978442101 /nfs/dbraw/zinc/44/21/01/978442101.db2.gz KDRSTCYPVWGCBW-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)OCCCC)C1 ZINC001337649539 978442108 /nfs/dbraw/zinc/44/21/08/978442108.db2.gz KDRSTCYPVWGCBW-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cccc3c2CCO3)C1 ZINC001233277307 978529113 /nfs/dbraw/zinc/52/91/13/978529113.db2.gz WTMXPZFSOXDHSR-LLVKDONJSA-N 1 2 228.295 1.967 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc3c2CCO3)C1 ZINC001233277307 978529119 /nfs/dbraw/zinc/52/91/19/978529119.db2.gz WTMXPZFSOXDHSR-LLVKDONJSA-N 1 2 228.295 1.967 20 30 BDEDLO C[C@H](C(=O)N(C)C[C@H](C)C#N)n1cc[nH+]c1 ZINC001337861779 978531490 /nfs/dbraw/zinc/53/14/90/978531490.db2.gz GSJUHOBUHYDHKU-NXEZZACHSA-N 1 2 220.276 1.062 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc(C#N)cc2O)C1 ZINC001233383867 978595896 /nfs/dbraw/zinc/59/58/96/978595896.db2.gz ZHQLOHKHYXRKNZ-UHFFFAOYSA-N 1 2 227.267 1.609 20 30 BDEDLO Cc1ncoc1C[NH2+]CC1(C#N)CCOCC1 ZINC001179780182 978750629 /nfs/dbraw/zinc/75/06/29/978750629.db2.gz DXXXBZRDNDDMQD-UHFFFAOYSA-N 1 2 235.287 1.393 20 30 BDEDLO COc1cc(OC2C[NH+](C)C2)ccc1C#N ZINC001234499831 978851780 /nfs/dbraw/zinc/85/17/80/978851780.db2.gz RZRICUMFPRLFLR-UHFFFAOYSA-N 1 2 218.256 1.260 20 30 BDEDLO N#CCc1ccccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001235525541 979063089 /nfs/dbraw/zinc/06/30/89/979063089.db2.gz NMKCZEIVDOVYTE-KGLIPLIRSA-N 1 2 228.295 1.726 20 30 BDEDLO N#CCc1ccccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001235525541 979063102 /nfs/dbraw/zinc/06/31/02/979063102.db2.gz NMKCZEIVDOVYTE-KGLIPLIRSA-N 1 2 228.295 1.726 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602803919 979242832 /nfs/dbraw/zinc/24/28/32/979242832.db2.gz INPJAVPURHTKCT-GHMZBOCLSA-N 1 2 249.314 1.239 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602803919 979242846 /nfs/dbraw/zinc/24/28/46/979242846.db2.gz INPJAVPURHTKCT-GHMZBOCLSA-N 1 2 249.314 1.239 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001602803551 979245409 /nfs/dbraw/zinc/24/54/09/979245409.db2.gz 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/nfs/dbraw/zinc/90/73/23/979907323.db2.gz UZJCZMVSYNZYSK-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO CCCC[N@H+](CCC#N)Cc1c[nH]ccc1=O ZINC001237840180 980092224 /nfs/dbraw/zinc/09/22/24/980092224.db2.gz MTEDKKHZPPQBIT-UHFFFAOYSA-N 1 2 233.315 1.891 20 30 BDEDLO CCCC[N@@H+](CCC#N)Cc1c[nH]ccc1=O ZINC001237840180 980092231 /nfs/dbraw/zinc/09/22/31/980092231.db2.gz MTEDKKHZPPQBIT-UHFFFAOYSA-N 1 2 233.315 1.891 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(N)ccnc2F)C1 ZINC001238159167 980184524 /nfs/dbraw/zinc/18/45/24/980184524.db2.gz GWPRSUOPWANALP-JTQLQIEISA-N 1 2 248.305 1.929 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(N)ccnc2F)C1 ZINC001238159167 980184529 /nfs/dbraw/zinc/18/45/29/980184529.db2.gz GWPRSUOPWANALP-JTQLQIEISA-N 1 2 248.305 1.929 20 30 BDEDLO CCn1c[nH+]cc1COC(=O)c1c[nH]c(C#N)c1 ZINC001345609907 980644955 /nfs/dbraw/zinc/64/49/55/980644955.db2.gz KTSXCZAJFMOPQK-UHFFFAOYSA-N 1 2 244.254 1.460 20 30 BDEDLO C=CC(C)(C)CNC(=O)CCc1[nH+]ccn1C ZINC001347663203 981140069 /nfs/dbraw/zinc/14/00/69/981140069.db2.gz PJPGOPNNJRZXQU-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO CC1(C#N)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001347749839 981161169 /nfs/dbraw/zinc/16/11/69/981161169.db2.gz DRCHVCNSICCHJF-UHFFFAOYSA-N 1 2 232.287 1.104 20 30 BDEDLO N#Cc1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240217724 981166019 /nfs/dbraw/zinc/16/60/19/981166019.db2.gz NKQITZMGQRKRKA-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO N#Cc1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240495988 981415090 /nfs/dbraw/zinc/41/50/90/981415090.db2.gz FKAFHJAEBFIRPC-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO C=CCOC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001194342950 981783903 /nfs/dbraw/zinc/78/39/03/981783903.db2.gz HRAGIQUJXJPIQY-UHFFFAOYSA-N 1 2 233.271 1.182 20 30 BDEDLO C=C(CC)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001350091844 981869361 /nfs/dbraw/zinc/86/93/61/981869361.db2.gz UTXHPPXWWWMERW-UHFFFAOYSA-N 1 2 221.304 1.701 20 30 BDEDLO C=CCCONC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001586069249 981965648 /nfs/dbraw/zinc/96/56/48/981965648.db2.gz DNMKPVDECXUQQQ-JTQLQIEISA-N 1 2 230.283 1.044 20 30 BDEDLO C=CCCONC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001586069249 981965654 /nfs/dbraw/zinc/96/56/54/981965654.db2.gz DNMKPVDECXUQQQ-JTQLQIEISA-N 1 2 230.283 1.044 20 30 BDEDLO N#CCc1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241170547 982318885 /nfs/dbraw/zinc/31/88/85/982318885.db2.gz NIWKDKNHVOOWNE-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO CC#CC[N@H+](C)Cc1csc(-c2nn[nH]n2)c1 ZINC001588747765 982448065 /nfs/dbraw/zinc/44/80/65/982448065.db2.gz UQICMBNXHMFWDV-UHFFFAOYSA-N 1 2 247.327 1.383 20 30 BDEDLO CC#CC[N@@H+](C)Cc1csc(-c2nn[nH]n2)c1 ZINC001588747765 982448073 /nfs/dbraw/zinc/44/80/73/982448073.db2.gz UQICMBNXHMFWDV-UHFFFAOYSA-N 1 2 247.327 1.383 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)NCC(C)(C)CC#N ZINC001352280917 982505755 /nfs/dbraw/zinc/50/57/55/982505755.db2.gz DNXMMUPGEWNMJP-UHFFFAOYSA-N 1 2 248.330 1.409 20 30 BDEDLO C=CCNC(=S)N(CC)CCn1cc[nH+]c1 ZINC001200293495 982818894 /nfs/dbraw/zinc/81/88/94/982818894.db2.gz WRKYTIITNKQPJO-UHFFFAOYSA-N 1 2 238.360 1.266 20 30 BDEDLO N#Cc1ncccc1Nc1ccc(N)[nH+]c1 ZINC001201275725 983175491 /nfs/dbraw/zinc/17/54/91/983175491.db2.gz KDOAJCGZKCKMIL-UHFFFAOYSA-N 1 2 211.228 1.674 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1nccnc1C#N ZINC001242071142 983305966 /nfs/dbraw/zinc/30/59/66/983305966.db2.gz VLHZGWXCNDKZDO-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000848278381 983376015 /nfs/dbraw/zinc/37/60/15/983376015.db2.gz BSDQEXGDAMDKGH-LBPRGKRZSA-N 1 2 245.326 1.225 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC001137089916 983935528 /nfs/dbraw/zinc/93/55/28/983935528.db2.gz FUPCWBRPIVTCKA-LBPRGKRZSA-N 1 2 238.294 1.975 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC001137089916 983935540 /nfs/dbraw/zinc/93/55/40/983935540.db2.gz FUPCWBRPIVTCKA-LBPRGKRZSA-N 1 2 238.294 1.975 20 30 BDEDLO C#Cc1cc(Nc2cccc(=O)[nH]2)cc[nH+]1 ZINC001212786960 984017805 /nfs/dbraw/zinc/01/78/05/984017805.db2.gz BILSFUPMYDCDES-UHFFFAOYSA-N 1 2 211.224 1.329 20 30 BDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1CCC1 ZINC001492900655 984043803 /nfs/dbraw/zinc/04/38/03/984043803.db2.gz AZJLUEWLUMCTQF-UHFFFAOYSA-N 1 2 244.766 1.977 20 30 BDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CCC1 ZINC001492900655 984043815 /nfs/dbraw/zinc/04/38/15/984043815.db2.gz AZJLUEWLUMCTQF-UHFFFAOYSA-N 1 2 244.766 1.977 20 30 BDEDLO C=CCNC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001202558491 984059349 /nfs/dbraw/zinc/05/93/49/984059349.db2.gz XARWWBRVKBHJOQ-UHFFFAOYSA-N 1 2 230.271 1.950 20 30 BDEDLO C=C[C@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001253564202 984219966 /nfs/dbraw/zinc/21/99/66/984219966.db2.gz BSUVECPAURCSKT-JTQLQIEISA-N 1 2 207.277 1.106 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn[nH]c2)C1 ZINC000949711077 985462844 /nfs/dbraw/zinc/46/28/44/985462844.db2.gz RPIVWCYJPHGPTR-UHFFFAOYSA-N 1 2 248.330 1.132 20 30 BDEDLO C#CC[N@@H+](CC(=O)OCCCC)C(C)C ZINC000688805669 985729944 /nfs/dbraw/zinc/72/99/44/985729944.db2.gz NWHQAJCVOOSYKB-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO C#CC[N@H+](CC(=O)OCCCC)C(C)C ZINC000688805669 985729952 /nfs/dbraw/zinc/72/99/52/985729952.db2.gz NWHQAJCVOOSYKB-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1ncccn1 ZINC001460693177 985875446 /nfs/dbraw/zinc/87/54/46/985875446.db2.gz DEJHGPWSLIOHNT-UHFFFAOYSA-N 1 2 207.277 1.111 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1ncccn1 ZINC001460693177 985875457 /nfs/dbraw/zinc/87/54/57/985875457.db2.gz DEJHGPWSLIOHNT-UHFFFAOYSA-N 1 2 207.277 1.111 20 30 BDEDLO Cc1c[nH+]c(-c2ccncc2C#N)cc1N ZINC001244333159 985967976 /nfs/dbraw/zinc/96/79/76/985967976.db2.gz OXWJEWILFWLIBS-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO N#Cc1cnccc1-c1cc[nH+]c2c1CCN2 ZINC001244338177 985988244 /nfs/dbraw/zinc/98/82/44/985988244.db2.gz TWZQVUKCNRSNFG-UHFFFAOYSA-N 1 2 222.251 1.626 20 30 BDEDLO Cc1ccc(C[NH2+]CC2(C#N)CCOCC2)nc1 ZINC001461820592 986166022 /nfs/dbraw/zinc/16/60/22/986166022.db2.gz XARABRHWYOLGJV-UHFFFAOYSA-N 1 2 245.326 1.800 20 30 BDEDLO C=C[C@@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001253600436 986234966 /nfs/dbraw/zinc/23/49/66/986234966.db2.gz APIFYTSEYQKNAI-SNVBAGLBSA-N 1 2 237.274 1.188 20 30 BDEDLO C#CC[N@H+](Cc1cn(C2CC2)cn1)C1CC1 ZINC001462256334 986327634 /nfs/dbraw/zinc/32/76/34/986327634.db2.gz RRHDXGTYEBCOMJ-UHFFFAOYSA-N 1 2 215.300 1.816 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C2CC2)cn1)C1CC1 ZINC001462256334 986327642 /nfs/dbraw/zinc/32/76/42/986327642.db2.gz RRHDXGTYEBCOMJ-UHFFFAOYSA-N 1 2 215.300 1.816 20 30 BDEDLO CC(C)(C)N1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254670400 986718467 /nfs/dbraw/zinc/71/84/67/986718467.db2.gz JGINQPBJXBIGJB-NEPJUHHUSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)(C)N1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254670400 986718477 /nfs/dbraw/zinc/71/84/77/986718477.db2.gz JGINQPBJXBIGJB-NEPJUHHUSA-N 1 2 249.358 1.621 20 30 BDEDLO Cc1cc(-c2cccc(C#N)n2)c[nH+]c1N ZINC001245535142 986910489 /nfs/dbraw/zinc/91/04/89/986910489.db2.gz FMFNRWKZABQQSV-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO C[C@H](CC(F)(F)F)N1CC[NH2+]C[C@@H]1C#N ZINC001255647108 987039286 /nfs/dbraw/zinc/03/92/86/987039286.db2.gz SGNHHUHFBAESCD-SFYZADRCSA-N 1 2 221.226 1.125 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccn(CC)n1 ZINC001474495994 987740930 /nfs/dbraw/zinc/74/09/30/987740930.db2.gz KNWCPAMXMIYYEN-UHFFFAOYSA-N 1 2 223.320 1.537 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccn(CC)n1 ZINC001474495994 987740939 /nfs/dbraw/zinc/74/09/39/987740939.db2.gz KNWCPAMXMIYYEN-UHFFFAOYSA-N 1 2 223.320 1.537 20 30 BDEDLO N#CCN1CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001117783273 987910894 /nfs/dbraw/zinc/91/08/94/987910894.db2.gz FPERHTPCBOKKDX-UHFFFAOYSA-N 1 2 244.342 1.464 20 30 BDEDLO C=CCN(CCOC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001321852865 988029184 /nfs/dbraw/zinc/02/91/84/988029184.db2.gz FUNRNCSUJRPIKP-NSHDSACASA-N 1 2 237.303 1.105 20 30 BDEDLO N#C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)C1 ZINC001246585922 988135941 /nfs/dbraw/zinc/13/59/41/988135941.db2.gz YRNFYLRDVONLGP-OPRDCNLKSA-N 1 2 229.274 1.347 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001494723173 988179367 /nfs/dbraw/zinc/17/93/67/988179367.db2.gz GVVGJEJDMCVZIV-AAEUAGOBSA-N 1 2 242.338 1.749 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001494723173 988179398 /nfs/dbraw/zinc/17/93/98/988179398.db2.gz GVVGJEJDMCVZIV-AAEUAGOBSA-N 1 2 242.338 1.749 20 30 BDEDLO C=C[C@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)OC ZINC001322409103 988247998 /nfs/dbraw/zinc/24/79/98/988247998.db2.gz SAYUZAPZYWRMEF-NSHDSACASA-N 1 2 239.315 1.263 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001323198941 988472063 /nfs/dbraw/zinc/47/20/63/988472063.db2.gz MBYKPQXZNCHVFR-WMSLEYKJSA-N 1 2 241.722 1.089 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001323198941 988472067 /nfs/dbraw/zinc/47/20/67/988472067.db2.gz MBYKPQXZNCHVFR-WMSLEYKJSA-N 1 2 241.722 1.089 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001499045561 988533419 /nfs/dbraw/zinc/53/34/19/988533419.db2.gz YMPLXQPZDBGHFW-LBPRGKRZSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001499045561 988533424 /nfs/dbraw/zinc/53/34/24/988533424.db2.gz YMPLXQPZDBGHFW-LBPRGKRZSA-N 1 2 234.343 1.246 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001323731482 988600150 /nfs/dbraw/zinc/60/01/50/988600150.db2.gz WIXAPKYFPSHKMJ-LLVKDONJSA-N 1 2 249.314 1.724 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001323731482 988600171 /nfs/dbraw/zinc/60/01/71/988600171.db2.gz WIXAPKYFPSHKMJ-LLVKDONJSA-N 1 2 249.314 1.724 20 30 BDEDLO C[N@H+](CCF)Cc1cnn2ccc(C#N)cc12 ZINC001249125480 989258415 /nfs/dbraw/zinc/25/84/15/989258415.db2.gz VCBDJKAJWHNIRJ-UHFFFAOYSA-N 1 2 232.262 1.607 20 30 BDEDLO C[N@@H+](CCF)Cc1cnn2ccc(C#N)cc12 ZINC001249125480 989258425 /nfs/dbraw/zinc/25/84/25/989258425.db2.gz VCBDJKAJWHNIRJ-UHFFFAOYSA-N 1 2 232.262 1.607 20 30 BDEDLO O=C(C#CC1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC001544620795 990729283 /nfs/dbraw/zinc/72/92/83/990729283.db2.gz MNTXIKNSBKVOAR-UHFFFAOYSA-N 1 2 243.310 1.460 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccn(CC)n1)[C@H]1CCCO1 ZINC001308377333 990980221 /nfs/dbraw/zinc/98/02/21/990980221.db2.gz DOLJKHZGPPDNRA-QWHCGFSZSA-N 1 2 233.315 1.173 20 30 BDEDLO CCCn1c[nH+]cc1CNc1n[nH]cc1C#N ZINC001308396457 990982510 /nfs/dbraw/zinc/98/25/10/990982510.db2.gz CLLPDYJUZAAOIX-UHFFFAOYSA-N 1 2 230.275 1.500 20 30 BDEDLO CC(C)=CCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258087299 990995902 /nfs/dbraw/zinc/99/59/02/990995902.db2.gz BYILROKAZDMHOW-CHWSQXEVSA-N 1 2 221.348 1.919 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138740751 991027794 /nfs/dbraw/zinc/02/77/94/991027794.db2.gz JLCGZJASNSKTRI-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138740751 991027804 /nfs/dbraw/zinc/02/78/04/991027804.db2.gz JLCGZJASNSKTRI-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO C[C@H](C[NH+]1CCC(C)(C#N)CC1)S(C)(=O)=O ZINC001559675127 991213947 /nfs/dbraw/zinc/21/39/47/991213947.db2.gz BIXSBZJJBDKAMN-SNVBAGLBSA-N 1 2 244.360 1.045 20 30 BDEDLO COC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001258376092 991325958 /nfs/dbraw/zinc/32/59/58/991325958.db2.gz ZKHAFXMJIVEDQG-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H](C#N)C1 ZINC001258376092 991325969 /nfs/dbraw/zinc/32/59/69/991325969.db2.gz ZKHAFXMJIVEDQG-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO C=C(C)CCNC(=O)NCc1ccc[nH+]c1N ZINC001312727563 991362170 /nfs/dbraw/zinc/36/21/70/991362170.db2.gz ZKALEDADBKQETR-UHFFFAOYSA-N 1 2 234.303 1.429 20 30 BDEDLO Cc1[nH]c([C@H]2CCCN2C[C@H](O)CC#N)[nH+]c1C ZINC001560136761 991395854 /nfs/dbraw/zinc/39/58/54/991395854.db2.gz CUEWDGVVUNYRCU-VXGBXAGGSA-N 1 2 248.330 1.438 20 30 BDEDLO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)CC#N)[nH]c1C ZINC001560136761 991395868 /nfs/dbraw/zinc/39/58/68/991395868.db2.gz CUEWDGVVUNYRCU-VXGBXAGGSA-N 1 2 248.330 1.438 20 30 BDEDLO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)CC#N)[nH]c1C ZINC001560136761 991395882 /nfs/dbraw/zinc/39/58/82/991395882.db2.gz CUEWDGVVUNYRCU-VXGBXAGGSA-N 1 2 248.330 1.438 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001560616005 991521859 /nfs/dbraw/zinc/52/18/59/991521859.db2.gz KIEZSHVVEDFTMS-JTQLQIEISA-N 1 2 241.298 1.721 20 30 BDEDLO C=CC(C)(C)CC(=O)NC1C[NH+](CC(=C)C)C1 ZINC001318029046 991614361 /nfs/dbraw/zinc/61/43/61/991614361.db2.gz JGGXRGRNKGFMDU-UHFFFAOYSA-N 1 2 236.359 1.965 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)nc2)CCCC1=O ZINC001140539964 991666099 /nfs/dbraw/zinc/66/60/99/991666099.db2.gz FNEDLPDDDBIGKO-NSHDSACASA-N 1 2 243.310 1.754 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)CCCC1=O ZINC001140539964 991666100 /nfs/dbraw/zinc/66/61/00/991666100.db2.gz FNEDLPDDDBIGKO-NSHDSACASA-N 1 2 243.310 1.754 20 30 BDEDLO C#Cc1cccc(N(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001565601976 991794321 /nfs/dbraw/zinc/79/43/21/991794321.db2.gz JPVPZPWJJHEFOJ-UHFFFAOYSA-N 1 2 239.278 1.597 20 30 BDEDLO Cn1c[nH+]cc1CS(=O)(=O)CCCCC#N ZINC001319607096 991907163 /nfs/dbraw/zinc/90/71/63/991907163.db2.gz VDDWLUGDXDOHIW-UHFFFAOYSA-N 1 2 241.316 1.029 20 30 BDEDLO C#CC[N@H+](CC1CC1)Cn1cc(Cl)cn1 ZINC001320146533 992113496 /nfs/dbraw/zinc/11/34/96/992113496.db2.gz CSRQCULXRXTCGI-UHFFFAOYSA-N 1 2 223.707 1.839 20 30 BDEDLO C#CC[N@@H+](CC1CC1)Cn1cc(Cl)cn1 ZINC001320146533 992113504 /nfs/dbraw/zinc/11/35/04/992113504.db2.gz CSRQCULXRXTCGI-UHFFFAOYSA-N 1 2 223.707 1.839 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)C(=O)OCCCC ZINC001320282398 992156341 /nfs/dbraw/zinc/15/63/41/992156341.db2.gz TXOMWBBKMYNDEI-GFCCVEGCSA-N 1 2 241.331 1.300 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)C(=O)OCCCC ZINC001320282398 992156350 /nfs/dbraw/zinc/15/63/50/992156350.db2.gz TXOMWBBKMYNDEI-GFCCVEGCSA-N 1 2 241.331 1.300 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001261275929 992245702 /nfs/dbraw/zinc/24/57/02/992245702.db2.gz LONRQYWAWVVOSQ-CQSZACIVSA-N 1 2 246.354 1.510 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nnc(C)o1 ZINC001261360561 992273798 /nfs/dbraw/zinc/27/37/98/992273798.db2.gz PHNNSFCLJIESKK-VIFPVBQESA-N 1 2 219.288 1.784 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nnc(C)o1 ZINC001261360561 992273814 /nfs/dbraw/zinc/27/38/14/992273814.db2.gz PHNNSFCLJIESKK-VIFPVBQESA-N 1 2 219.288 1.784 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)/C=C(/C)CC)C1 ZINC001569489219 992401441 /nfs/dbraw/zinc/40/14/41/992401441.db2.gz LDSFAZPNXLHAHA-FLIBITNWSA-N 1 2 222.332 1.671 20 30 BDEDLO CCn1cc(C[NH+]2CCC(CC#N)CC2)nn1 ZINC001262254565 992818538 /nfs/dbraw/zinc/81/85/38/992818538.db2.gz SALFCDRMJWBJPE-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO Cc1ncc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC001262377269 992868801 /nfs/dbraw/zinc/86/88/01/992868801.db2.gz QTIKFEKZMKXYLJ-UHFFFAOYSA-N 1 2 245.311 1.403 20 30 BDEDLO CC(C)C[C@@H](C(=O)N(C)CC#N)n1cc[nH+]c1 ZINC000602085946 349433572 /nfs/dbraw/zinc/43/35/72/349433572.db2.gz LJMHFIPNHKNESQ-NSHDSACASA-N 1 2 234.303 1.452 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602070893 349439174 /nfs/dbraw/zinc/43/91/74/349439174.db2.gz JNBFIUKHWCJPMF-GMTAPVOTSA-N 1 2 246.314 1.521 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602070893 349439176 /nfs/dbraw/zinc/43/91/76/349439176.db2.gz JNBFIUKHWCJPMF-GMTAPVOTSA-N 1 2 246.314 1.521 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@H](CC)CC#N)[nH+]1 ZINC000602138632 349450550 /nfs/dbraw/zinc/45/05/50/349450550.db2.gz WBIZVPUNBRFXBT-SECBINFHSA-N 1 2 234.303 1.323 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602130636 349458395 /nfs/dbraw/zinc/45/83/95/349458395.db2.gz NSHYRGXQKVJLEA-RKDXNWHRSA-N 1 2 232.287 1.179 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602130636 349458398 /nfs/dbraw/zinc/45/83/98/349458398.db2.gz NSHYRGXQKVJLEA-RKDXNWHRSA-N 1 2 232.287 1.179 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCC12CC2 ZINC000602336736 349509618 /nfs/dbraw/zinc/50/96/18/349509618.db2.gz ZRPOXQHCCJIMSY-YPMHNXCESA-N 1 2 249.358 1.527 20 30 BDEDLO Cc1cc(CO[NH+]=C(N)CCO)c(C)s1 ZINC000186790321 178047798 /nfs/dbraw/zinc/04/77/98/178047798.db2.gz DDHRVAZCQVLUQT-UHFFFAOYSA-N 1 2 228.317 1.536 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000424541485 398193016 /nfs/dbraw/zinc/19/30/16/398193016.db2.gz LOAFDJRZTNCMQW-UHFFFAOYSA-N 1 2 235.331 1.981 20 30 BDEDLO Cc1cc(CNC(=O)NC[C@H](C)C#N)cc(C)[nH+]1 ZINC000572868283 398203437 /nfs/dbraw/zinc/20/34/37/398203437.db2.gz DPHQUTFWVHQHCD-SECBINFHSA-N 1 2 246.314 1.657 20 30 BDEDLO CCO[C@@H]1C[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000576340976 365570976 /nfs/dbraw/zinc/57/09/76/365570976.db2.gz XVPJCYVZABVLKK-NWDGAFQWSA-N 1 2 217.272 1.273 20 30 BDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)C#N ZINC000194691635 136221124 /nfs/dbraw/zinc/22/11/24/136221124.db2.gz QEOJGCGCCRJTSR-SECBINFHSA-N 1 2 242.282 1.373 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CCOC1 ZINC000328825896 398211854 /nfs/dbraw/zinc/21/18/54/398211854.db2.gz JBUAPNPUSNYJSU-LBPRGKRZSA-N 1 2 237.303 1.488 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000650078817 398232676 /nfs/dbraw/zinc/23/26/76/398232676.db2.gz XZSKNBSHCZDDAK-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO C#CCC(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290928379 398254101 /nfs/dbraw/zinc/25/41/01/398254101.db2.gz LWUOWRUQSLPPBZ-UHFFFAOYSA-N 1 2 231.299 1.275 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000293274805 398257909 /nfs/dbraw/zinc/25/79/09/398257909.db2.gz VEIKKEJZFAEFJR-LBPRGKRZSA-N 1 2 234.274 1.307 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000293274805 398257911 /nfs/dbraw/zinc/25/79/11/398257911.db2.gz VEIKKEJZFAEFJR-LBPRGKRZSA-N 1 2 234.274 1.307 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000649454471 398255947 /nfs/dbraw/zinc/25/59/47/398255947.db2.gz GUXMBJJNTWDXAJ-MNOVXSKESA-N 1 2 247.342 1.951 20 30 BDEDLO C[C@@H](C#N)CN(C)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602448130 349548630 /nfs/dbraw/zinc/54/86/30/349548630.db2.gz SRKJBJZDWMEPPO-JTQLQIEISA-N 1 2 247.298 1.444 20 30 BDEDLO Cc1c[nH]c(CN(C[C@@H](C)C#N)C2CC2)[nH+]1 ZINC000600119932 342675943 /nfs/dbraw/zinc/67/59/43/342675943.db2.gz FUOQPTIOQXJYIG-VIFPVBQESA-N 1 2 218.304 1.842 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)CCc1cnccn1 ZINC000402609832 342743581 /nfs/dbraw/zinc/74/35/81/342743581.db2.gz OQEVRFDKGUVUKX-JTQLQIEISA-N 1 2 204.277 1.111 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)CCc1cnccn1 ZINC000402609832 342743582 /nfs/dbraw/zinc/74/35/82/342743582.db2.gz OQEVRFDKGUVUKX-JTQLQIEISA-N 1 2 204.277 1.111 20 30 BDEDLO Cn1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000042488903 342777019 /nfs/dbraw/zinc/77/70/19/342777019.db2.gz QWVLNOFOHSSSGA-NEPJUHHUSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000042488903 342777020 /nfs/dbraw/zinc/77/70/20/342777020.db2.gz QWVLNOFOHSSSGA-NEPJUHHUSA-N 1 2 218.304 1.544 20 30 BDEDLO C=CC[C@H]1CC[C@]2(C1)NC(=O)C[N@H+]2CCC ZINC000649490871 398287728 /nfs/dbraw/zinc/28/77/28/398287728.db2.gz TZSNIINQRKHQHS-AAEUAGOBSA-N 1 2 222.332 1.901 20 30 BDEDLO C=CC[C@H]1CC[C@]2(C1)NC(=O)C[N@@H+]2CCC ZINC000649490871 398287730 /nfs/dbraw/zinc/28/77/30/398287730.db2.gz TZSNIINQRKHQHS-AAEUAGOBSA-N 1 2 222.332 1.901 20 30 BDEDLO CC(C)n1cnnc1C[N@H+](C)[C@@H](C)CCC#N ZINC000566740741 323012761 /nfs/dbraw/zinc/01/27/61/323012761.db2.gz NFLSOYMQJHODJZ-NSHDSACASA-N 1 2 235.335 1.983 20 30 BDEDLO CC(C)n1cnnc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000566740741 323012762 /nfs/dbraw/zinc/01/27/62/323012762.db2.gz NFLSOYMQJHODJZ-NSHDSACASA-N 1 2 235.335 1.983 20 30 BDEDLO CCCn1nccc1C[NH2+]C[C@@H](C)C#N ZINC000164842177 342834815 /nfs/dbraw/zinc/83/48/15/342834815.db2.gz PSQNLBKQTFUQOP-JTQLQIEISA-N 1 2 206.293 1.542 20 30 BDEDLO C[C@H](C#N)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000602607928 349631034 /nfs/dbraw/zinc/63/10/34/349631034.db2.gz NKCCMWDJVGOFTB-MWLCHTKSSA-N 1 2 218.304 1.620 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1F ZINC000219521998 342875089 /nfs/dbraw/zinc/87/50/89/342875089.db2.gz BELRUGLRLPNTOO-NSHDSACASA-N 1 2 247.273 1.147 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1F ZINC000219521998 342875090 /nfs/dbraw/zinc/87/50/90/342875090.db2.gz BELRUGLRLPNTOO-NSHDSACASA-N 1 2 247.273 1.147 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccc(C#N)n1 ZINC000602608024 349631189 /nfs/dbraw/zinc/63/11/89/349631189.db2.gz OFRWNSBDMHXVHF-SECBINFHSA-N 1 2 200.245 1.203 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(C#N)n1 ZINC000602610138 349633345 /nfs/dbraw/zinc/63/33/45/349633345.db2.gz GGNJAXPRWBKXSM-SNVBAGLBSA-N 1 2 214.272 1.735 20 30 BDEDLO CO[C@@](C)(C[N@@H+]1CC[C@@](F)(C#N)C1)C1CC1 ZINC000602629514 349665108 /nfs/dbraw/zinc/66/51/08/349665108.db2.gz KPUCYORMYKCXQM-NWDGAFQWSA-N 1 2 226.295 1.739 20 30 BDEDLO CO[C@@](C)(C[N@H+]1CC[C@@](F)(C#N)C1)C1CC1 ZINC000602629514 349665109 /nfs/dbraw/zinc/66/51/09/349665109.db2.gz KPUCYORMYKCXQM-NWDGAFQWSA-N 1 2 226.295 1.739 20 30 BDEDLO CCn1ncnc1C[NH2+]CC1(C#N)CCCC1 ZINC000602698444 349694522 /nfs/dbraw/zinc/69/45/22/349694522.db2.gz ITSCCMUTJWPBCU-UHFFFAOYSA-N 1 2 233.319 1.472 20 30 BDEDLO CC1(C#N)CN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602690949 349688519 /nfs/dbraw/zinc/68/85/19/349688519.db2.gz SVRHMAXTFVTOHJ-UHFFFAOYSA-N 1 2 245.282 1.198 20 30 BDEDLO Cn1nc2c(c1C[NH+]1CC(CC#N)C1)CCCC2 ZINC000602706679 349699903 /nfs/dbraw/zinc/69/99/03/349699903.db2.gz HFBGKISXISBLPL-UHFFFAOYSA-N 1 2 244.342 1.644 20 30 BDEDLO Cc1nnsc1C[NH+]1CC(CC#N)C1 ZINC000602710680 349703292 /nfs/dbraw/zinc/70/32/92/349703292.db2.gz WWJNXBWENBTOLR-UHFFFAOYSA-N 1 2 208.290 1.192 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@H](C)C#N ZINC000492280258 529559782 /nfs/dbraw/zinc/55/97/82/529559782.db2.gz VSJLGYOWCZLXFQ-UMCURTJPSA-N 1 2 232.287 1.192 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](CC)COC)C(=O)OC ZINC000602734644 349719637 /nfs/dbraw/zinc/71/96/37/349719637.db2.gz QHCYZYNQMLCKLR-MNOVXSKESA-N 1 2 229.320 1.509 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OC ZINC000602740423 349709273 /nfs/dbraw/zinc/70/92/73/349709273.db2.gz VXGSKQBMUFFTFC-WOPDTQHZSA-N 1 2 241.331 1.651 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)C(=O)OC ZINC000602740270 349709294 /nfs/dbraw/zinc/70/92/94/349709294.db2.gz VGFDSCGTWBYAPC-DCAQKATOSA-N 1 2 243.372 1.978 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)COCC)C(=O)OC ZINC000602733433 349718915 /nfs/dbraw/zinc/71/89/15/349718915.db2.gz IEGPWLJMMHNMQL-QWRGUYRKSA-N 1 2 229.320 1.509 20 30 BDEDLO COC(=O)C1([NH2+]CC2(CC#N)CC2)CCCC1 ZINC000602795108 349736718 /nfs/dbraw/zinc/73/67/18/349736718.db2.gz LJIOSSUYWGOKAE-UHFFFAOYSA-N 1 2 236.315 1.756 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](C)[S@@]1=O ZINC000602827708 349765053 /nfs/dbraw/zinc/76/50/53/349765053.db2.gz MZRWMRIUPMLABY-CULMDFNYSA-N 1 2 240.372 1.522 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C)[S@@]1=O ZINC000602827708 349765056 /nfs/dbraw/zinc/76/50/56/349765056.db2.gz MZRWMRIUPMLABY-CULMDFNYSA-N 1 2 240.372 1.522 20 30 BDEDLO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000602818186 349758598 /nfs/dbraw/zinc/75/85/98/349758598.db2.gz CERKHYQUYRVFMM-BZNIZROVSA-N 1 2 240.372 1.523 20 30 BDEDLO C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000602818186 349758601 /nfs/dbraw/zinc/75/86/01/349758601.db2.gz CERKHYQUYRVFMM-BZNIZROVSA-N 1 2 240.372 1.523 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)c1ccccc1 ZINC000602861003 349772858 /nfs/dbraw/zinc/77/28/58/349772858.db2.gz FBRCPWNEHBRPLG-NEPJUHHUSA-N 1 2 245.326 1.930 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000602863196 349774476 /nfs/dbraw/zinc/77/44/76/349774476.db2.gz ODYCQPIJHJFFRT-GHMZBOCLSA-N 1 2 249.358 1.668 20 30 BDEDLO CO[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329743439 136262519 /nfs/dbraw/zinc/26/25/19/136262519.db2.gz XEPOECSGSCBCKQ-CABZTGNLSA-N 1 2 249.314 1.649 20 30 BDEDLO CO[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329743439 136262520 /nfs/dbraw/zinc/26/25/20/136262520.db2.gz XEPOECSGSCBCKQ-CABZTGNLSA-N 1 2 249.314 1.649 20 30 BDEDLO CCn1cc[nH+]c1CN1CCC(F)(C#N)CC1 ZINC000352467029 136263912 /nfs/dbraw/zinc/26/39/12/136263912.db2.gz HTIXPWXJQYMYSQ-UHFFFAOYSA-N 1 2 236.294 1.731 20 30 BDEDLO Cc1cc(N2CCC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000075563216 343052401 /nfs/dbraw/zinc/05/24/01/343052401.db2.gz YJCQUVVDBLAEEJ-NSHDSACASA-N 1 2 217.272 1.223 20 30 BDEDLO Cc1cc(NCC2CCN(CC#N)CC2)nc[nH+]1 ZINC000301657497 136265221 /nfs/dbraw/zinc/26/52/21/136265221.db2.gz LLRUBHWSRMLTFR-UHFFFAOYSA-N 1 2 245.330 1.433 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1CCC(C)CC1 ZINC000602863683 349796408 /nfs/dbraw/zinc/79/64/08/349796408.db2.gz PLHSAUSZQCKKSL-MOENNCHZSA-N 1 2 237.347 1.573 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)c1ccccc1 ZINC000602864670 349797255 /nfs/dbraw/zinc/79/72/55/349797255.db2.gz SIZVUHCQIISWMU-NSHDSACASA-N 1 2 231.299 1.541 20 30 BDEDLO COc1coc(C[NH2+][C@H](C)CC#N)cc1=O ZINC000602865480 349797918 /nfs/dbraw/zinc/79/79/18/349797918.db2.gz YJFVQKMYZQAUKU-MRVPVSSYSA-N 1 2 222.244 1.040 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC(CC)CC)nn1 ZINC000640938127 362081057 /nfs/dbraw/zinc/08/10/57/362081057.db2.gz NOTKCMHTXPCVPC-UHFFFAOYSA-N 1 2 234.347 1.827 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000602865699 349797620 /nfs/dbraw/zinc/79/76/20/349797620.db2.gz XNDKJRWKNINTNF-UTUOFQBUSA-N 1 2 237.347 1.383 20 30 BDEDLO C=CCOCC[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000339084402 136271231 /nfs/dbraw/zinc/27/12/31/136271231.db2.gz IAIYRVDGJOZQKG-WDEREUQCSA-N 1 2 229.320 1.366 20 30 BDEDLO CCn1nccc1C[NH2+]CC1(C#N)CC1 ZINC000379921554 365735644 /nfs/dbraw/zinc/73/56/44/365735644.db2.gz IADIGWVGHZIVSL-UHFFFAOYSA-N 1 2 204.277 1.296 20 30 BDEDLO CCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186827126 136275572 /nfs/dbraw/zinc/27/55/72/136275572.db2.gz GBADPWQTNAMXNS-UHFFFAOYSA-N 1 2 212.224 1.513 20 30 BDEDLO N#CCCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000273056079 136283337 /nfs/dbraw/zinc/28/33/37/136283337.db2.gz RXSHVDZHAYXJNI-UHFFFAOYSA-N 1 2 242.282 1.297 20 30 BDEDLO N#Cc1ccc(NCCNc2cccc[nH+]2)nc1 ZINC000048399089 343259946 /nfs/dbraw/zinc/25/99/46/343259946.db2.gz GUSJWJUDUHALBT-UHFFFAOYSA-N 1 2 239.282 1.872 20 30 BDEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC#N ZINC000609030961 343261120 /nfs/dbraw/zinc/26/11/20/343261120.db2.gz XQGSAGJMJLGKKQ-SECBINFHSA-N 1 2 249.270 1.995 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1ccccc1C#N ZINC000034674316 343277211 /nfs/dbraw/zinc/27/72/11/343277211.db2.gz HSZDZSFOOSGXCO-UHFFFAOYSA-N 1 2 229.283 1.783 20 30 BDEDLO C[N@H+](CCC#N)CCOc1ccccc1C#N ZINC000034674316 343277213 /nfs/dbraw/zinc/27/72/13/343277213.db2.gz HSZDZSFOOSGXCO-UHFFFAOYSA-N 1 2 229.283 1.783 20 30 BDEDLO COC(=O)C(C)(C)[NH2+]CCCSCC#N ZINC000074990183 343360063 /nfs/dbraw/zinc/36/00/63/343360063.db2.gz UCXMQQVQMGGIPO-UHFFFAOYSA-N 1 2 230.333 1.174 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCCCCC#N ZINC000588351995 343360408 /nfs/dbraw/zinc/36/04/08/343360408.db2.gz ZPOCWXXWMJZKPX-UHFFFAOYSA-N 1 2 234.303 1.842 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C#N)s1 ZINC000335696809 136327438 /nfs/dbraw/zinc/32/74/38/136327438.db2.gz XJIBTRRJKWSBCN-UHFFFAOYSA-N 1 2 246.295 1.581 20 30 BDEDLO N#Cc1ccc(C[NH+]2CCSCC2)nc1 ZINC000584090132 343414777 /nfs/dbraw/zinc/41/47/77/343414777.db2.gz YCKAXNZDBUZKNA-UHFFFAOYSA-N 1 2 219.313 1.502 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000042455342 343439192 /nfs/dbraw/zinc/43/91/92/343439192.db2.gz VGXFUGPSOSMDNM-FZMZJTMJSA-N 1 2 243.310 1.683 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000042455342 343439193 /nfs/dbraw/zinc/43/91/93/343439193.db2.gz VGXFUGPSOSMDNM-FZMZJTMJSA-N 1 2 243.310 1.683 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H]2COC(C)(C)C2)nn1 ZINC000641089470 362214175 /nfs/dbraw/zinc/21/41/75/362214175.db2.gz OIIOVEUHNUIMOQ-GFCCVEGCSA-N 1 2 248.330 1.131 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCC2CCC2)nn1 ZINC000641092716 362218384 /nfs/dbraw/zinc/21/83/84/362218384.db2.gz SMPOLLWLDYALJW-UHFFFAOYSA-N 1 2 232.331 1.581 20 30 BDEDLO N#CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000335716978 136339610 /nfs/dbraw/zinc/33/96/10/136339610.db2.gz MUQAYFHUZIXYKZ-UHFFFAOYSA-N 1 2 248.673 1.518 20 30 BDEDLO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329305489 136364807 /nfs/dbraw/zinc/36/48/07/136364807.db2.gz XOVLXKNOHZYQOW-GMTAPVOTSA-N 1 2 249.314 1.579 20 30 BDEDLO O=C(CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000329326391 136364847 /nfs/dbraw/zinc/36/48/47/136364847.db2.gz JGUYOKKRYSOZTP-JTQLQIEISA-N 1 2 247.298 1.381 20 30 BDEDLO N#CCCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000588377031 343487534 /nfs/dbraw/zinc/48/75/34/343487534.db2.gz IVJWNVKDWILOFH-UHFFFAOYSA-N 1 2 220.276 1.500 20 30 BDEDLO N#CCCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000588377031 343487538 /nfs/dbraw/zinc/48/75/38/343487538.db2.gz IVJWNVKDWILOFH-UHFFFAOYSA-N 1 2 220.276 1.500 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902143 349816947 /nfs/dbraw/zinc/81/69/47/349816947.db2.gz HKYVCVPEZGYQIR-GXTWGEPZSA-N 1 2 247.342 1.375 20 30 BDEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000602902143 349816951 /nfs/dbraw/zinc/81/69/51/349816951.db2.gz HKYVCVPEZGYQIR-GXTWGEPZSA-N 1 2 247.342 1.375 20 30 BDEDLO C=C[C@@H]([NH2+]CC1CC(C)(C)C1)C(=O)OC ZINC000380028875 343671731 /nfs/dbraw/zinc/67/17/31/343671731.db2.gz ZWOBRBLQPRRTPS-SNVBAGLBSA-N 1 2 211.305 1.740 20 30 BDEDLO Cc1nccnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981343 349830877 /nfs/dbraw/zinc/83/08/77/349830877.db2.gz BREKEHFBPKHZAE-DGCLKSJQSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1nccnc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981343 349830882 /nfs/dbraw/zinc/83/08/82/349830882.db2.gz BREKEHFBPKHZAE-DGCLKSJQSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ncn1 ZINC000602981537 349831654 /nfs/dbraw/zinc/83/16/54/349831654.db2.gz FTHZCGDYBDWRBJ-WCQYABFASA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)ncn1 ZINC000602981537 349831656 /nfs/dbraw/zinc/83/16/56/349831656.db2.gz FTHZCGDYBDWRBJ-WCQYABFASA-N 1 2 230.315 1.909 20 30 BDEDLO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCC[C@H]1C#N ZINC000602977142 349842262 /nfs/dbraw/zinc/84/22/62/349842262.db2.gz YLJNLVNCFRSUAK-RYUDHWBXSA-N 1 2 235.331 1.137 20 30 BDEDLO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCC[C@H]1C#N ZINC000602977142 349842265 /nfs/dbraw/zinc/84/22/65/349842265.db2.gz YLJNLVNCFRSUAK-RYUDHWBXSA-N 1 2 235.331 1.137 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602978409 349843121 /nfs/dbraw/zinc/84/31/21/349843121.db2.gz QFVJOHGTYXANSO-CHWSQXEVSA-N 1 2 249.358 1.479 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602978409 349843126 /nfs/dbraw/zinc/84/31/26/349843126.db2.gz QFVJOHGTYXANSO-CHWSQXEVSA-N 1 2 249.358 1.479 20 30 BDEDLO C[N@H+](CC(=O)NC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975019 349839398 /nfs/dbraw/zinc/83/93/98/349839398.db2.gz XNYKKHCPCYMCKV-DGCLKSJQSA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@@H+](CC(=O)NC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975019 349839400 /nfs/dbraw/zinc/83/94/00/349839400.db2.gz XNYKKHCPCYMCKV-DGCLKSJQSA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@H+](Cc1ccno1)[C@H]1CCC[C@@H]1C#N ZINC000602976325 349841201 /nfs/dbraw/zinc/84/12/01/349841201.db2.gz OCROLSZMSCJGNN-KOLCDFICSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccno1)[C@H]1CCC[C@@H]1C#N ZINC000602976325 349841204 /nfs/dbraw/zinc/84/12/04/349841204.db2.gz OCROLSZMSCJGNN-KOLCDFICSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602980673 349846348 /nfs/dbraw/zinc/84/63/48/349846348.db2.gz SYBBBGNDGYCJQG-YIZRAAEISA-N 1 2 236.237 1.534 20 30 BDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602980673 349846352 /nfs/dbraw/zinc/84/63/52/349846352.db2.gz SYBBBGNDGYCJQG-YIZRAAEISA-N 1 2 236.237 1.534 20 30 BDEDLO C=CCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584235203 343776881 /nfs/dbraw/zinc/77/68/81/343776881.db2.gz KQFYNNDFGIGDEZ-NSHDSACASA-N 1 2 221.304 1.917 20 30 BDEDLO C[C@H]1C[N@H+](CCCC#N)CCN1CC(F)(F)F ZINC000128320001 343797862 /nfs/dbraw/zinc/79/78/62/343797862.db2.gz APSUMYMJPXMODP-JTQLQIEISA-N 1 2 249.280 1.859 20 30 BDEDLO C[C@H]1C[N@@H+](CCCC#N)CCN1CC(F)(F)F ZINC000128320001 343797864 /nfs/dbraw/zinc/79/78/64/343797864.db2.gz APSUMYMJPXMODP-JTQLQIEISA-N 1 2 249.280 1.859 20 30 BDEDLO COc1c(N)[nH+]cnc1NCC(C)(C)CCC#N ZINC000582132117 346988211 /nfs/dbraw/zinc/98/82/11/346988211.db2.gz BDNUXNRFJJTDRF-UHFFFAOYSA-N 1 2 249.318 1.231 20 30 BDEDLO COc1c(N)nc[nH+]c1NCC(C)(C)CCC#N ZINC000582132117 346988214 /nfs/dbraw/zinc/98/82/14/346988214.db2.gz BDNUXNRFJJTDRF-UHFFFAOYSA-N 1 2 249.318 1.231 20 30 BDEDLO C=C[C@@H](C)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418748862 192066279 /nfs/dbraw/zinc/06/62/79/192066279.db2.gz BMIWOJHETNHHBZ-RKDXNWHRSA-N 1 2 247.289 1.105 20 30 BDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000334341013 343870448 /nfs/dbraw/zinc/87/04/48/343870448.db2.gz IHMCACNTUPJZMP-VIFPVBQESA-N 1 2 249.339 1.900 20 30 BDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000334341013 343870449 /nfs/dbraw/zinc/87/04/49/343870449.db2.gz IHMCACNTUPJZMP-VIFPVBQESA-N 1 2 249.339 1.900 20 30 BDEDLO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000067446284 343895999 /nfs/dbraw/zinc/89/59/99/343895999.db2.gz XEPCTWKHUAHIJD-NSHDSACASA-N 1 2 245.326 1.638 20 30 BDEDLO CNC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000067446284 343896001 /nfs/dbraw/zinc/89/60/01/343896001.db2.gz XEPCTWKHUAHIJD-NSHDSACASA-N 1 2 245.326 1.638 20 30 BDEDLO CCO[C@H]1C[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000393634063 343903281 /nfs/dbraw/zinc/90/32/81/343903281.db2.gz RWGYSAKVKZGOIK-IUCAKERBSA-N 1 2 223.301 1.282 20 30 BDEDLO Cc1cc(N2CC(CF)C2)c(C#N)c[nH+]1 ZINC000335081898 343926459 /nfs/dbraw/zinc/92/64/59/343926459.db2.gz MWEFPYDDVRDMSH-UHFFFAOYSA-N 1 2 205.236 1.667 20 30 BDEDLO Cc1cc(N[C@@H]2CC[C@H](F)C2)c(C#N)c[nH+]1 ZINC000335117742 343929498 /nfs/dbraw/zinc/92/94/98/343929498.db2.gz MYQFXBYGSFZFOO-WDEREUQCSA-N 1 2 219.263 1.986 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000625698401 344042909 /nfs/dbraw/zinc/04/29/09/344042909.db2.gz BBZCMNLFDWRCSU-JQWIXIFHSA-N 1 2 247.342 1.835 20 30 BDEDLO CC[C@@H](C#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000092350054 343954466 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ZINC000050539863 344840677 /nfs/dbraw/zinc/84/06/77/344840677.db2.gz FQDWHSRAYQREAD-SNVBAGLBSA-N 1 2 206.293 1.402 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)COCc1ccco1 ZINC000078320837 344845037 /nfs/dbraw/zinc/84/50/37/344845037.db2.gz HGGAYUTUYGSFQW-NSHDSACASA-N 1 2 238.287 1.003 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)COCc1ccco1 ZINC000078320837 344845039 /nfs/dbraw/zinc/84/50/39/344845039.db2.gz HGGAYUTUYGSFQW-NSHDSACASA-N 1 2 238.287 1.003 20 30 BDEDLO N#CC1(NC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC000609188020 537877920 /nfs/dbraw/zinc/87/79/20/537877920.db2.gz MNYUBHDOUODMFJ-UHFFFAOYSA-N 1 2 246.314 1.616 20 30 BDEDLO CC(C)(C#N)CCC[NH+]1CCS(=O)CC1 ZINC000087608581 534982712 /nfs/dbraw/zinc/98/27/12/534982712.db2.gz NEYPSUYFEZSGJY-UHFFFAOYSA-N 1 2 228.361 1.381 20 30 BDEDLO CN(Cc1[nH+]ccn1C)CC(C)(C)C#N ZINC000354040955 344994130 /nfs/dbraw/zinc/99/41/30/344994130.db2.gz PSVUDDICYXZZCB-UHFFFAOYSA-N 1 2 206.293 1.402 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000154949526 345056281 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/nfs/dbraw/zinc/25/03/86/347250386.db2.gz QASLJPFEDVZRAJ-UHFFFAOYSA-N 1 2 246.310 1.861 20 30 BDEDLO COC(=O)c1ccccc1CC[N@@H+](C)CCC#N ZINC000187140319 347250388 /nfs/dbraw/zinc/25/03/88/347250388.db2.gz QASLJPFEDVZRAJ-UHFFFAOYSA-N 1 2 246.310 1.861 20 30 BDEDLO COc1cccc(C(N)=[NH+]OCCSC)c1 ZINC000185794491 347215037 /nfs/dbraw/zinc/21/50/37/347215037.db2.gz YVJTYDXSRMNWAM-UHFFFAOYSA-N 1 2 240.328 1.695 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)n1 ZINC000189431639 347302805 /nfs/dbraw/zinc/30/28/05/347302805.db2.gz POIJTHJPFIMIPT-SNVBAGLBSA-N 1 2 219.288 1.872 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)CC#N ZINC000346302437 136741298 /nfs/dbraw/zinc/74/12/98/136741298.db2.gz LECASOUMBFQKRN-QMMMGPOBSA-N 1 2 220.276 1.021 20 30 BDEDLO C=Cn1cc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000193880652 347407371 /nfs/dbraw/zinc/40/73/71/347407371.db2.gz KTOCXLGHUQBPIG-JTQLQIEISA-N 1 2 204.277 1.718 20 30 BDEDLO C=Cn1cc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000193880652 347407375 /nfs/dbraw/zinc/40/73/75/347407375.db2.gz KTOCXLGHUQBPIG-JTQLQIEISA-N 1 2 204.277 1.718 20 30 BDEDLO Cc1cccc2[nH+]c(Cn3cnc(C#N)n3)cn21 ZINC000069736987 179230277 /nfs/dbraw/zinc/23/02/77/179230277.db2.gz DCNWSSKBYTUCOR-UHFFFAOYSA-N 1 2 238.254 1.154 20 30 BDEDLO COCC[N@H+](CCC#N)CCc1cscn1 ZINC000590698180 347492948 /nfs/dbraw/zinc/49/29/48/347492948.db2.gz ANZJMIRSYKDVOC-UHFFFAOYSA-N 1 2 239.344 1.548 20 30 BDEDLO COCC[N@@H+](CCC#N)CCc1cscn1 ZINC000590698180 347492952 /nfs/dbraw/zinc/49/29/52/347492952.db2.gz ANZJMIRSYKDVOC-UHFFFAOYSA-N 1 2 239.344 1.548 20 30 BDEDLO CC1(C#N)C[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000590599540 347479249 /nfs/dbraw/zinc/47/92/49/347479249.db2.gz GWIZNMFPHYNIDG-UHFFFAOYSA-N 1 2 247.342 1.932 20 30 BDEDLO Cc1cc(N[C@H](C)C[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000591821434 347701440 /nfs/dbraw/zinc/70/14/40/347701440.db2.gz XMDXYIMDCYSVID-NEPJUHHUSA-N 1 2 245.326 1.911 20 30 BDEDLO Cc1cc(N[C@@H](C)C[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000591821435 347701503 /nfs/dbraw/zinc/70/15/03/347701503.db2.gz XMDXYIMDCYSVID-NWDGAFQWSA-N 1 2 245.326 1.911 20 30 BDEDLO CC[C@@H](C)C[C@@H](CO)Nc1cc(C)[nH+]cc1C#N ZINC000591981669 347720610 /nfs/dbraw/zinc/72/06/10/347720610.db2.gz MTLQXMHGUJATJG-MFKMUULPSA-N 1 2 247.342 1.893 20 30 BDEDLO Cc1c[nH+]ccc1CCN(CC#N)C1CC1 ZINC000592066400 347725883 /nfs/dbraw/zinc/72/58/83/347725883.db2.gz ARACRRWUASTBBZ-UHFFFAOYSA-N 1 2 215.300 1.921 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccn(C)n1 ZINC000592124515 347738266 /nfs/dbraw/zinc/73/82/66/347738266.db2.gz GFOGFGIWFNZCEN-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO CC#CC[N@@H+](CC)[C@H](C)CS(=O)(=O)CC ZINC000119976433 347741079 /nfs/dbraw/zinc/74/10/79/347741079.db2.gz NFCUVKLXSQRRAG-LLVKDONJSA-N 1 2 231.361 1.155 20 30 BDEDLO CC#CC[N@H+](CC)[C@H](C)CS(=O)(=O)CC ZINC000119976433 347741083 /nfs/dbraw/zinc/74/10/83/347741083.db2.gz NFCUVKLXSQRRAG-LLVKDONJSA-N 1 2 231.361 1.155 20 30 BDEDLO Cc1cnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592151935 347743175 /nfs/dbraw/zinc/74/31/75/347743175.db2.gz SAIYWILYSZMNCE-NSHDSACASA-N 1 2 237.328 1.302 20 30 BDEDLO Cc1cnc(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592151935 347743178 /nfs/dbraw/zinc/74/31/78/347743178.db2.gz SAIYWILYSZMNCE-NSHDSACASA-N 1 2 237.328 1.302 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCc1cncc(C)n1 ZINC000593030242 347841917 /nfs/dbraw/zinc/84/19/17/347841917.db2.gz LUSUUBZZETWOMP-UHFFFAOYSA-N 1 2 230.315 1.729 20 30 BDEDLO C=CC[N@H+](CCC#N)CCc1cncc(C)n1 ZINC000593030242 347841920 /nfs/dbraw/zinc/84/19/20/347841920.db2.gz LUSUUBZZETWOMP-UHFFFAOYSA-N 1 2 230.315 1.729 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](CCc1cn[nH]c1)C2 ZINC000593124915 347863506 /nfs/dbraw/zinc/86/35/06/347863506.db2.gz LHOXZQIVBJOZOD-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](CCc1cn[nH]c1)C2 ZINC000593124915 347863508 /nfs/dbraw/zinc/86/35/08/347863508.db2.gz LHOXZQIVBJOZOD-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593406745 347884821 /nfs/dbraw/zinc/88/48/21/347884821.db2.gz FMWBTKFXFABKAH-VXGBXAGGSA-N 1 2 248.330 1.842 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000593484589 347897229 /nfs/dbraw/zinc/89/72/29/347897229.db2.gz QDFULFZGLNUBNG-LLVKDONJSA-N 1 2 248.330 1.705 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCCNc1cccc[nH+]1 ZINC000593894001 347957969 /nfs/dbraw/zinc/95/79/69/347957969.db2.gz QRLMGTAGGBUIJV-JTQLQIEISA-N 1 2 232.287 1.159 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000577409324 365948586 /nfs/dbraw/zinc/94/85/86/365948586.db2.gz UZXRUPKHINGDOX-ONGXEEELSA-N 1 2 248.330 1.643 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000577409324 365948591 /nfs/dbraw/zinc/94/85/91/365948591.db2.gz UZXRUPKHINGDOX-ONGXEEELSA-N 1 2 248.330 1.643 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cn1 ZINC000594006827 347984438 /nfs/dbraw/zinc/98/44/38/347984438.db2.gz NVWCKFGXWNXUOU-SNVBAGLBSA-N 1 2 219.288 1.872 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594285020 348030251 /nfs/dbraw/zinc/03/02/51/348030251.db2.gz GMAQZADLLMCQSG-GHMZBOCLSA-N 1 2 248.330 1.643 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594285020 348030253 /nfs/dbraw/zinc/03/02/53/348030253.db2.gz GMAQZADLLMCQSG-GHMZBOCLSA-N 1 2 248.330 1.643 20 30 BDEDLO C=CCCSCC[NH2+][C@H](CC)C(=O)OC ZINC000594710892 348104282 /nfs/dbraw/zinc/10/42/82/348104282.db2.gz JQFUXCLRVZLSRB-SNVBAGLBSA-N 1 2 231.361 1.837 20 30 BDEDLO CCc1nocc1C[NH+]1CCN(CCC#N)CC1 ZINC000595392283 348237571 /nfs/dbraw/zinc/23/75/71/348237571.db2.gz PSJNWJNDELQYQM-UHFFFAOYSA-N 1 2 248.330 1.268 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000595615437 348288929 /nfs/dbraw/zinc/28/89/29/348288929.db2.gz QXMRTJCTECLVSX-SNVBAGLBSA-N 1 2 248.282 1.471 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000595615437 348288932 /nfs/dbraw/zinc/28/89/32/348288932.db2.gz QXMRTJCTECLVSX-SNVBAGLBSA-N 1 2 248.282 1.471 20 30 BDEDLO C=CC[N@H+](Cc1ccncc1C#N)[C@@H](C)COC ZINC000595638092 348303517 /nfs/dbraw/zinc/30/35/17/348303517.db2.gz CELJHBDATYSQQT-LBPRGKRZSA-N 1 2 245.326 1.976 20 30 BDEDLO C=CC[N@@H+](Cc1ccncc1C#N)[C@@H](C)COC ZINC000595638092 348303519 /nfs/dbraw/zinc/30/35/19/348303519.db2.gz CELJHBDATYSQQT-LBPRGKRZSA-N 1 2 245.326 1.976 20 30 BDEDLO C=CCC[NH2+][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595734848 348318104 /nfs/dbraw/zinc/31/81/04/348318104.db2.gz QECHAJMJLYJDCQ-CYBMUJFWSA-N 1 2 241.331 1.653 20 30 BDEDLO C[C@H](C#N)[N@H+](CC[C@@H]1CCCO1)C1CC1 ZINC000595710368 348322578 /nfs/dbraw/zinc/32/25/78/348322578.db2.gz RADQJQHMQRYIFW-PWSUYJOCSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@H](C#N)[N@@H+](CC[C@@H]1CCCO1)C1CC1 ZINC000595710368 348322580 /nfs/dbraw/zinc/32/25/80/348322580.db2.gz RADQJQHMQRYIFW-PWSUYJOCSA-N 1 2 208.305 1.932 20 30 BDEDLO C[C@]12COC[C@@H]1C[N@H+](Cc1nc(C#N)cs1)C2 ZINC000595755853 348330397 /nfs/dbraw/zinc/33/03/97/348330397.db2.gz DVWYNPXVLHTNPO-CABZTGNLSA-N 1 2 249.339 1.483 20 30 BDEDLO C[C@]12COC[C@@H]1C[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000595755853 348330400 /nfs/dbraw/zinc/33/04/00/348330400.db2.gz DVWYNPXVLHTNPO-CABZTGNLSA-N 1 2 249.339 1.483 20 30 BDEDLO CC[N@H+](CCC(=O)N1CCCCC1)[C@H](C)C#N ZINC000595814520 348342729 /nfs/dbraw/zinc/34/27/29/348342729.db2.gz VOBJUXNVGKEDPR-GFCCVEGCSA-N 1 2 237.347 1.623 20 30 BDEDLO CC[N@@H+](CCC(=O)N1CCCCC1)[C@H](C)C#N ZINC000595814520 348342732 /nfs/dbraw/zinc/34/27/32/348342732.db2.gz VOBJUXNVGKEDPR-GFCCVEGCSA-N 1 2 237.347 1.623 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833246 348367250 /nfs/dbraw/zinc/36/72/50/348367250.db2.gz BQVQKWUQPARLCN-ZYHUDNBSSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833246 348367253 /nfs/dbraw/zinc/36/72/53/348367253.db2.gz BQVQKWUQPARLCN-ZYHUDNBSSA-N 1 2 223.320 1.137 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835480 348368796 /nfs/dbraw/zinc/36/87/96/348368796.db2.gz QWVIUSVAYRLHDB-GFCCVEGCSA-N 1 2 223.320 1.090 20 30 BDEDLO CCN(CC)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835480 348368798 /nfs/dbraw/zinc/36/87/98/348368798.db2.gz QWVIUSVAYRLHDB-GFCCVEGCSA-N 1 2 223.320 1.090 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000595842786 348379234 /nfs/dbraw/zinc/37/92/34/348379234.db2.gz VEQKBUPAEDAJBB-LLVKDONJSA-N 1 2 238.722 1.772 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000595842786 348379235 /nfs/dbraw/zinc/37/92/35/348379235.db2.gz VEQKBUPAEDAJBB-LLVKDONJSA-N 1 2 238.722 1.772 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000595843241 348380519 /nfs/dbraw/zinc/38/05/19/348380519.db2.gz JQIBWOFRRVYVCZ-HZSPNIEDSA-N 1 2 249.358 1.085 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000595843241 348380522 /nfs/dbraw/zinc/38/05/22/348380522.db2.gz JQIBWOFRRVYVCZ-HZSPNIEDSA-N 1 2 249.358 1.085 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000595845259 348353826 /nfs/dbraw/zinc/35/38/26/348353826.db2.gz ZKARCXQDVNFJNY-CYBMUJFWSA-N 1 2 226.283 1.689 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000595845259 348353829 /nfs/dbraw/zinc/35/38/29/348353829.db2.gz ZKARCXQDVNFJNY-CYBMUJFWSA-N 1 2 226.283 1.689 20 30 BDEDLO CCOCC[C@@H](O)C[N@H+](CC)[C@@H](C)C#N ZINC000595820056 348360820 /nfs/dbraw/zinc/36/08/20/348360820.db2.gz INFSIFFLJPOHQO-WDEREUQCSA-N 1 2 214.309 1.008 20 30 BDEDLO CCOCC[C@@H](O)C[N@@H+](CC)[C@@H](C)C#N ZINC000595820056 348360823 /nfs/dbraw/zinc/36/08/23/348360823.db2.gz INFSIFFLJPOHQO-WDEREUQCSA-N 1 2 214.309 1.008 20 30 BDEDLO C[C@H]1C[C@H](Nc2cc(C#N)ncn2)c2[nH+]ccn21 ZINC000596257456 348476713 /nfs/dbraw/zinc/47/67/13/348476713.db2.gz OIGRLNUKKQMEJL-WPRPVWTQSA-N 1 2 240.270 1.663 20 30 BDEDLO COC(=O)[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000596554436 348577085 /nfs/dbraw/zinc/57/70/85/348577085.db2.gz PMQYLVFPKKYPGI-HOMQSWHASA-N 1 2 245.282 1.047 20 30 BDEDLO C[C@@H](Nc1cncc(C#N)n1)c1[nH+]ccn1C ZINC000596539796 348583065 /nfs/dbraw/zinc/58/30/65/348583065.db2.gz BUFXOBVQJHWLQI-MRVPVSSYSA-N 1 2 228.259 1.255 20 30 BDEDLO C[C@@H](Nc1nccnc1C#N)c1[nH+]ccn1C ZINC000596541847 348583646 /nfs/dbraw/zinc/58/36/46/348583646.db2.gz GUCUGWKUULRXRS-MRVPVSSYSA-N 1 2 228.259 1.255 20 30 BDEDLO C[C@@H](Nc1ncc(C#N)cc1F)c1[nH+]ccn1C ZINC000596542196 348583681 /nfs/dbraw/zinc/58/36/81/348583681.db2.gz KIKDIFVRHRVRCM-MRVPVSSYSA-N 1 2 245.261 1.999 20 30 BDEDLO Cc1cc(NCCOCCF)c(C#N)c[nH+]1 ZINC000596571545 348591215 /nfs/dbraw/zinc/59/12/15/348591215.db2.gz VNEPWKBWGXFHML-UHFFFAOYSA-N 1 2 223.251 1.082 20 30 BDEDLO C=C1CC[NH+](Cc2nc(CCOC)no2)CC1 ZINC000519014178 323192026 /nfs/dbraw/zinc/19/20/26/323192026.db2.gz YVZPINOLHUHUTH-UHFFFAOYSA-N 1 2 237.303 1.411 20 30 BDEDLO COc1ncncc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597177520 348670135 /nfs/dbraw/zinc/67/01/35/348670135.db2.gz OCALJAIUOLVFNY-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO COc1ncncc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597177520 348670138 /nfs/dbraw/zinc/67/01/38/348670138.db2.gz OCALJAIUOLVFNY-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000597114909 348662316 /nfs/dbraw/zinc/66/23/16/348662316.db2.gz DMMPWABEDLAYAG-SNVBAGLBSA-N 1 2 245.282 1.221 20 30 BDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)c[nH]1 ZINC000597194133 348671861 /nfs/dbraw/zinc/67/18/61/348671861.db2.gz OIHPCOVXLGLMEB-UHFFFAOYSA-N 1 2 233.271 1.147 20 30 BDEDLO Cc1ncc(C[NH2+]CC2(C#N)CCC2)n1C ZINC000597153039 348665538 /nfs/dbraw/zinc/66/55/38/348665538.db2.gz GRJSTKOWRHBVBE-UHFFFAOYSA-N 1 2 218.304 1.512 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596891093 348629248 /nfs/dbraw/zinc/62/92/48/348629248.db2.gz PYZIMNMERTYCJM-JTQLQIEISA-N 1 2 246.314 1.277 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596891093 348629250 /nfs/dbraw/zinc/62/92/50/348629250.db2.gz PYZIMNMERTYCJM-JTQLQIEISA-N 1 2 246.314 1.277 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596893542 348630267 /nfs/dbraw/zinc/63/02/67/348630267.db2.gz HZHDXBWGIJEEKI-VHSXEESVSA-N 1 2 246.314 1.133 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596893542 348630271 /nfs/dbraw/zinc/63/02/71/348630271.db2.gz HZHDXBWGIJEEKI-VHSXEESVSA-N 1 2 246.314 1.133 20 30 BDEDLO C[C@H](CNC(=O)[C@H](C)CC#N)Cn1cc[nH+]c1 ZINC000597282821 348712620 /nfs/dbraw/zinc/71/26/20/348712620.db2.gz SUJSDFVPCUEMSO-GHMZBOCLSA-N 1 2 234.303 1.185 20 30 BDEDLO COc1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597202810 348676818 /nfs/dbraw/zinc/67/68/18/348676818.db2.gz CRDINWJDGCTJIX-UHFFFAOYSA-N 1 2 217.272 1.436 20 30 BDEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC000597203187 348677269 /nfs/dbraw/zinc/67/72/69/348677269.db2.gz HRRULCJFDOWEBI-UHFFFAOYSA-N 1 2 234.255 1.412 20 30 BDEDLO CCCn1nccc1C[NH+]1CC(CC#N)C1 ZINC000597204170 348677901 /nfs/dbraw/zinc/67/79/01/348677901.db2.gz SBQSJWFLNGWCFV-UHFFFAOYSA-N 1 2 218.304 1.639 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597189456 348685899 /nfs/dbraw/zinc/68/58/99/348685899.db2.gz UQUSJFBCQWMHLL-ZYHUDNBSSA-N 1 2 246.314 1.110 20 30 BDEDLO C[C@H](CC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000597215900 348690508 /nfs/dbraw/zinc/69/05/08/348690508.db2.gz PHAHTHOGLUQMAA-SECBINFHSA-N 1 2 228.255 1.823 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000597229606 348697633 /nfs/dbraw/zinc/69/76/33/348697633.db2.gz NDTLVOJFSXUCSX-ZDUSSCGKSA-N 1 2 231.299 1.831 20 30 BDEDLO Cc1ccc(O)c(C[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000597229606 348697634 /nfs/dbraw/zinc/69/76/34/348697634.db2.gz NDTLVOJFSXUCSX-ZDUSSCGKSA-N 1 2 231.299 1.831 20 30 BDEDLO CCn1nccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231992 348699315 /nfs/dbraw/zinc/69/93/15/348699315.db2.gz QBKNWKCZRZUPPY-GFCCVEGCSA-N 1 2 218.304 1.639 20 30 BDEDLO CCn1nccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231992 348699319 /nfs/dbraw/zinc/69/93/19/348699319.db2.gz QBKNWKCZRZUPPY-GFCCVEGCSA-N 1 2 218.304 1.639 20 30 BDEDLO CC[C@@H](NC(=O)[C@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000597518054 348748930 /nfs/dbraw/zinc/74/89/30/348748930.db2.gz AQBLRRKBKNPKRS-RKDXNWHRSA-N 1 2 220.276 1.527 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597858218 348828532 /nfs/dbraw/zinc/82/85/32/348828532.db2.gz QUQWUKNSSSNEFB-UHFFFAOYSA-N 1 2 244.254 1.455 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597858218 348828535 /nfs/dbraw/zinc/82/85/35/348828535.db2.gz QUQWUKNSSSNEFB-UHFFFAOYSA-N 1 2 244.254 1.455 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000598128590 348894270 /nfs/dbraw/zinc/89/42/70/348894270.db2.gz APVJKLSCJOMQOD-NSHDSACASA-N 1 2 246.314 1.566 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C)C#N ZINC000598356570 348940398 /nfs/dbraw/zinc/94/03/98/348940398.db2.gz RMCQNRYYTPQQCC-WDEREUQCSA-N 1 2 246.314 1.206 20 30 BDEDLO CCc1ncc(C[NH2+]C[C@H](C)C#N)s1 ZINC000054181610 348896340 /nfs/dbraw/zinc/89/63/40/348896340.db2.gz PHOLHHFKSYFMDO-MRVPVSSYSA-N 1 2 209.318 1.955 20 30 BDEDLO C[C@H](NC(=O)CC(C)(C)C#N)c1[nH+]ccn1C ZINC000598464623 348978061 /nfs/dbraw/zinc/97/80/61/348978061.db2.gz JZVFJEKSBQQYRI-VIFPVBQESA-N 1 2 234.303 1.537 20 30 BDEDLO C[C@@H](NC(=O)CCCC#N)c1[nH+]ccn1C ZINC000598465760 348978442 /nfs/dbraw/zinc/97/84/42/348978442.db2.gz UBZDFTBSABQMAS-SECBINFHSA-N 1 2 220.276 1.291 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465346 348978477 /nfs/dbraw/zinc/97/84/77/348978477.db2.gz QLHLILJRNRGFDV-RKDXNWHRSA-N 1 2 220.276 1.147 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)CC(C)(C)C#N ZINC000598599547 348992714 /nfs/dbraw/zinc/99/27/14/348992714.db2.gz PFGCJQWKUKKEOX-SNVBAGLBSA-N 1 2 236.319 1.142 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)CC(C)(C)C#N ZINC000598599547 348992719 /nfs/dbraw/zinc/99/27/19/348992719.db2.gz PFGCJQWKUKKEOX-SNVBAGLBSA-N 1 2 236.319 1.142 20 30 BDEDLO Cc1ccoc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598836277 349052333 /nfs/dbraw/zinc/05/23/33/349052333.db2.gz FJHGVWQKQMSGTB-CYBMUJFWSA-N 1 2 249.314 1.091 20 30 BDEDLO CC(C)(C(=O)NCCCC#N)c1c[nH]c[nH+]1 ZINC000598695521 349017826 /nfs/dbraw/zinc/01/78/26/349017826.db2.gz OAQFRQPWYJYAOP-UHFFFAOYSA-N 1 2 220.276 1.107 20 30 BDEDLO CC(C)(C(=O)N1CC(C)(C#N)C1)c1c[nH+]c[nH]1 ZINC000598697467 349018432 /nfs/dbraw/zinc/01/84/32/349018432.db2.gz BDHRFTHHIZFKGE-UHFFFAOYSA-N 1 2 232.287 1.059 20 30 BDEDLO CCOc1cncc(C[NH2+]CC2(C#N)CC2)c1 ZINC000598671991 349019849 /nfs/dbraw/zinc/01/98/49/349019849.db2.gz IMBLKYJWYSMBBN-UHFFFAOYSA-N 1 2 231.299 1.874 20 30 BDEDLO N#CCCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598948119 349070807 /nfs/dbraw/zinc/07/08/07/349070807.db2.gz PNQWMQHMQLHJBB-NSHDSACASA-N 1 2 246.314 1.398 20 30 BDEDLO COc1ccc(OC)c(C[NH2+]C[C@H](C)C#N)c1 ZINC000054918230 349088805 /nfs/dbraw/zinc/08/88/05/349088805.db2.gz YSYVGBJXWMBLPP-SNVBAGLBSA-N 1 2 234.299 1.953 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598939005 349061767 /nfs/dbraw/zinc/06/17/67/349061767.db2.gz JIDXELXJHXULHF-JTQLQIEISA-N 1 2 246.314 1.254 20 30 BDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(F)cc1C#N ZINC000599161856 349109003 /nfs/dbraw/zinc/10/90/03/349109003.db2.gz XBUJWMRUXNJKKP-LBPRGKRZSA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(F)cc1C#N ZINC000599161856 349109004 /nfs/dbraw/zinc/10/90/04/349109004.db2.gz XBUJWMRUXNJKKP-LBPRGKRZSA-N 1 2 249.289 1.440 20 30 BDEDLO Cc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000599180274 349122466 /nfs/dbraw/zinc/12/24/66/349122466.db2.gz KEEVOBGKUAMSMR-GXTWGEPZSA-N 1 2 243.310 1.663 20 30 BDEDLO N#Cc1csc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000599422953 349183380 /nfs/dbraw/zinc/18/33/80/349183380.db2.gz RGESEFAPJSIENF-UHFFFAOYSA-N 1 2 245.311 1.296 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(CC=C)CC=C)C1CC1 ZINC000274221612 192399992 /nfs/dbraw/zinc/39/99/92/192399992.db2.gz VHLQIIQDSONAGT-UHFFFAOYSA-N 1 2 232.327 1.285 20 30 BDEDLO C#CC[N@H+](CC(=O)N(CC=C)CC=C)C1CC1 ZINC000274221612 192399994 /nfs/dbraw/zinc/39/99/94/192399994.db2.gz VHLQIIQDSONAGT-UHFFFAOYSA-N 1 2 232.327 1.285 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@@H+](CC#N)CCCCN(C)CC#N ZINC000599610882 349228163 /nfs/dbraw/zinc/22/81/63/349228163.db2.gz WFEORXZJHKHECL-KGLIPLIRSA-N 1 2 248.374 1.704 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@H+](CC#N)CCCCN(C)CC#N ZINC000599610882 349228165 /nfs/dbraw/zinc/22/81/65/349228165.db2.gz WFEORXZJHKHECL-KGLIPLIRSA-N 1 2 248.374 1.704 20 30 BDEDLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[C@H]1C#N ZINC000601823813 349354639 /nfs/dbraw/zinc/35/46/39/349354639.db2.gz XKPZUFUCFMQMSQ-CMPLNLGQSA-N 1 2 246.314 1.493 20 30 BDEDLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[C@H]1C#N ZINC000601823813 349354643 /nfs/dbraw/zinc/35/46/43/349354643.db2.gz XKPZUFUCFMQMSQ-CMPLNLGQSA-N 1 2 246.314 1.493 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(CC)C[C@H](C)C#N)[nH+]1 ZINC000602075229 349428555 /nfs/dbraw/zinc/42/85/55/349428555.db2.gz XFLXDHQXHXOPCU-SNVBAGLBSA-N 1 2 248.330 1.523 20 30 BDEDLO Cc1nccc([C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000603834101 350042617 /nfs/dbraw/zinc/04/26/17/350042617.db2.gz HKSJVHHUGSQMTK-GFCCVEGCSA-N 1 2 230.315 1.878 20 30 BDEDLO Cc1nccc([C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000603834101 350042620 /nfs/dbraw/zinc/04/26/20/350042620.db2.gz HKSJVHHUGSQMTK-GFCCVEGCSA-N 1 2 230.315 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CCn1ncnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397749990 350971640 /nfs/dbraw/zinc/97/16/40/350971640.db2.gz BTKQQJNUUHOKLA-NSHDSACASA-N 1 2 233.319 1.424 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343624243 350979998 /nfs/dbraw/zinc/97/99/98/350979998.db2.gz JQKPEBHBNHAQPD-PWSUYJOCSA-N 1 2 246.314 1.110 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626383084 351019088 /nfs/dbraw/zinc/01/90/88/351019088.db2.gz CSRCPAYNWLGMPF-LBPRGKRZSA-N 1 2 247.342 1.788 20 30 BDEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000336722714 351169666 /nfs/dbraw/zinc/16/96/66/351169666.db2.gz ASXMEMNNDBLZOZ-UJNFCWOMSA-N 1 2 220.276 1.721 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(CO)o1 ZINC000271121310 351402045 /nfs/dbraw/zinc/40/20/45/351402045.db2.gz HXRKPSZUTDHEDF-VIFPVBQESA-N 1 2 208.261 1.363 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000271121310 351402050 /nfs/dbraw/zinc/40/20/50/351402050.db2.gz HXRKPSZUTDHEDF-VIFPVBQESA-N 1 2 208.261 1.363 20 30 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CC(C)(C#N)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615787512 368304628 /nfs/dbraw/zinc/30/46/28/368304628.db2.gz IWSYYQKVDCUMKB-SNVBAGLBSA-N 1 2 246.314 1.111 20 30 BDEDLO CN(CC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000057845420 368502188 /nfs/dbraw/zinc/50/21/88/368502188.db2.gz LOJIQYYRCRKQOQ-UHFFFAOYSA-N 1 2 232.209 1.401 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000619621184 368927116 /nfs/dbraw/zinc/92/71/16/368927116.db2.gz CJYWRCGVLISJJB-JSGCOSHPSA-N 1 2 247.342 1.399 20 30 BDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000619621184 368927121 /nfs/dbraw/zinc/92/71/21/368927121.db2.gz CJYWRCGVLISJJB-JSGCOSHPSA-N 1 2 247.342 1.399 20 30 BDEDLO C=CCC1(C(=O)NCCc2cn(C)c[nH+]2)CCC1 ZINC000457846921 203111283 /nfs/dbraw/zinc/11/12/83/203111283.db2.gz CILPZZUZFTWAHH-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO Cn1cnc(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000618903928 369236352 /nfs/dbraw/zinc/23/63/52/369236352.db2.gz NSKXOXRKUYRCJC-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO Cn1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000618903928 369236356 /nfs/dbraw/zinc/23/63/56/369236356.db2.gz NSKXOXRKUYRCJC-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)nc1 ZINC000459471481 203286185 /nfs/dbraw/zinc/28/61/85/203286185.db2.gz VQBRSQLCSZJMDX-ZWNOBZJWSA-N 1 2 231.299 1.872 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(COC)on1 ZINC000459529097 203295176 /nfs/dbraw/zinc/29/51/76/203295176.db2.gz RGOSYFKGRGQNNQ-UHFFFAOYSA-N 1 2 240.303 1.455 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(COC)on1 ZINC000459529097 203295180 /nfs/dbraw/zinc/29/51/80/203295180.db2.gz RGOSYFKGRGQNNQ-UHFFFAOYSA-N 1 2 240.303 1.455 20 30 BDEDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000459453850 203282733 /nfs/dbraw/zinc/28/27/33/203282733.db2.gz CRNVOAUINMEEOA-GARJFASQSA-N 1 2 246.314 1.834 20 30 BDEDLO Cc1cccc(CCNc2ccc(C#N)nn2)[nH+]1 ZINC000619499534 369401686 /nfs/dbraw/zinc/40/16/86/369401686.db2.gz ITYURXWEZNXAAN-UHFFFAOYSA-N 1 2 239.282 1.128 20 30 BDEDLO COc1ccc(C[NH+]2CC(C)(CO)C2)cc1C#N ZINC000459624081 203322615 /nfs/dbraw/zinc/32/26/15/203322615.db2.gz UCGOXRAJEFAQIU-UHFFFAOYSA-N 1 2 246.310 1.381 20 30 BDEDLO Cn1ncnc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404106229 369420104 /nfs/dbraw/zinc/42/01/04/369420104.db2.gz GYVSWXZRDWZHCR-UHFFFAOYSA-N 1 2 245.261 1.116 20 30 BDEDLO CCOC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405039420 369443653 /nfs/dbraw/zinc/44/36/53/369443653.db2.gz AWEQKASQRQDYSR-CYBMUJFWSA-N 1 2 246.310 1.271 20 30 BDEDLO CCOC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405039420 369443657 /nfs/dbraw/zinc/44/36/57/369443657.db2.gz AWEQKASQRQDYSR-CYBMUJFWSA-N 1 2 246.310 1.271 20 30 BDEDLO CC(C)[C@@H](C#N)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000619511149 369453217 /nfs/dbraw/zinc/45/32/17/369453217.db2.gz QJCCRYZTUSUAJO-CYBMUJFWSA-N 1 2 247.346 1.075 20 30 BDEDLO CC(C)[C@@H](C#N)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000619511149 369453221 /nfs/dbraw/zinc/45/32/21/369453221.db2.gz QJCCRYZTUSUAJO-CYBMUJFWSA-N 1 2 247.346 1.075 20 30 BDEDLO Cc1nccc(C[N@@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000619511245 369453716 /nfs/dbraw/zinc/45/37/16/369453716.db2.gz QZUKCMVCBWLHGC-CYBMUJFWSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1nccc(C[N@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000619511245 369453719 /nfs/dbraw/zinc/45/37/19/369453719.db2.gz QZUKCMVCBWLHGC-CYBMUJFWSA-N 1 2 230.315 1.911 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000619568230 369481756 /nfs/dbraw/zinc/48/17/56/369481756.db2.gz QQMLTBDHKCFKLA-SECBINFHSA-N 1 2 234.303 1.305 20 30 BDEDLO C=C[C@H]([NH2+]CCCOC1CCCC1)C(=O)OC ZINC000619700585 369533435 /nfs/dbraw/zinc/53/34/35/369533435.db2.gz CNQOVGJATUKDIG-LBPRGKRZSA-N 1 2 241.331 1.653 20 30 BDEDLO C=C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000619703051 369535519 /nfs/dbraw/zinc/53/55/19/369535519.db2.gz CZZQKQGOBHWVRY-WDEREUQCSA-N 1 2 239.315 1.405 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C)C(=O)OC ZINC000619703789 369536900 /nfs/dbraw/zinc/53/69/00/369536900.db2.gz SLOMWTFHAMMFRD-UKKRHICBSA-N 1 2 241.331 1.363 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000619718881 369548681 /nfs/dbraw/zinc/54/86/81/369548681.db2.gz FQSNQIKCLJJCEA-NWDGAFQWSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000619718881 369548684 /nfs/dbraw/zinc/54/86/84/369548684.db2.gz FQSNQIKCLJJCEA-NWDGAFQWSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000619718880 369548899 /nfs/dbraw/zinc/54/88/99/369548899.db2.gz FQSNQIKCLJJCEA-NEPJUHHUSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000619718880 369548902 /nfs/dbraw/zinc/54/89/02/369548902.db2.gz FQSNQIKCLJJCEA-NEPJUHHUSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC#N)CC1 ZINC000619720522 369551680 /nfs/dbraw/zinc/55/16/80/369551680.db2.gz MFGOSBRKJCNQIY-LLVKDONJSA-N 1 2 222.288 1.340 20 30 BDEDLO CN(Cc1[nH+]ccn1C)Cc1cccc(C#N)n1 ZINC000602592364 369824899 /nfs/dbraw/zinc/82/48/99/369824899.db2.gz QOBSRRVSWRHYEF-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO CC(C)[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602606803 369826624 /nfs/dbraw/zinc/82/66/24/369826624.db2.gz XODUVCRHLOAYLO-AWEZNQCLSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602606803 369826628 /nfs/dbraw/zinc/82/66/28/369826628.db2.gz XODUVCRHLOAYLO-AWEZNQCLSA-N 1 2 245.326 1.810 20 30 BDEDLO N#Cc1cccc(CNCC[N@H+]2CC=CCC2)n1 ZINC000602639176 369832276 /nfs/dbraw/zinc/83/22/76/369832276.db2.gz VRDQTKCNTQKXJT-UHFFFAOYSA-N 1 2 242.326 1.305 20 30 BDEDLO N#Cc1cccc(CNCC[N@@H+]2CC=CCC2)n1 ZINC000602639176 369832278 /nfs/dbraw/zinc/83/22/78/369832278.db2.gz VRDQTKCNTQKXJT-UHFFFAOYSA-N 1 2 242.326 1.305 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC(C)(C)O1 ZINC000602456983 369789334 /nfs/dbraw/zinc/78/93/34/369789334.db2.gz YJPQOZMMCWVTNY-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC(C)(C)O1 ZINC000602456983 369789339 /nfs/dbraw/zinc/78/93/39/369789339.db2.gz YJPQOZMMCWVTNY-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)Cc1cccc(C#N)n1 ZINC000602470898 369793204 /nfs/dbraw/zinc/79/32/04/369793204.db2.gz KIEZSWMJQMYPJB-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)Cc1cccc(C#N)n1 ZINC000602470898 369793208 /nfs/dbraw/zinc/79/32/08/369793208.db2.gz KIEZSWMJQMYPJB-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO CC#CCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603871 369952125 /nfs/dbraw/zinc/95/21/25/369952125.db2.gz MGTPBVGGUSTKES-NSHDSACASA-N 1 2 233.315 1.791 20 30 BDEDLO CC[N@H+](CCn1ccccc1=O)C[C@@H](C)C#N ZINC000112091206 370217498 /nfs/dbraw/zinc/21/74/98/370217498.db2.gz PACBPCIPPGLOEQ-LBPRGKRZSA-N 1 2 233.315 1.330 20 30 BDEDLO CC[N@@H+](CCn1ccccc1=O)C[C@@H](C)C#N ZINC000112091206 370217502 /nfs/dbraw/zinc/21/75/02/370217502.db2.gz PACBPCIPPGLOEQ-LBPRGKRZSA-N 1 2 233.315 1.330 20 30 BDEDLO C[C@H](CC#N)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000077214933 370401217 /nfs/dbraw/zinc/40/12/17/370401217.db2.gz UDBWFHUEJNASDF-SECBINFHSA-N 1 2 228.259 1.376 20 30 BDEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C#N)o1 ZINC000092437817 371099448 /nfs/dbraw/zinc/09/94/48/371099448.db2.gz LLIZEQYRYXMFEN-UHFFFAOYSA-N 1 2 244.298 1.907 20 30 BDEDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C#N)o1 ZINC000092437817 371099453 /nfs/dbraw/zinc/09/94/53/371099453.db2.gz LLIZEQYRYXMFEN-UHFFFAOYSA-N 1 2 244.298 1.907 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC1CCCC1 ZINC000390236333 371191636 /nfs/dbraw/zinc/19/16/36/371191636.db2.gz GCNPKDUWWZIRSJ-VHSXEESVSA-N 1 2 223.320 1.325 20 30 BDEDLO C=CCOCCNc1cc(CCCC)[nH+]cn1 ZINC000631202011 372233344 /nfs/dbraw/zinc/23/33/44/372233344.db2.gz ZLHLZNDBOOIYKA-UHFFFAOYSA-N 1 2 235.331 1.856 20 30 BDEDLO C=C1CC(C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000631208195 372236883 /nfs/dbraw/zinc/23/68/83/372236883.db2.gz PWHJMJFLDHWOHP-UHFFFAOYSA-N 1 2 219.288 1.425 20 30 BDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748793 372189722 /nfs/dbraw/zinc/18/97/22/372189722.db2.gz ANCHVCGEARMBJN-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748793 372189723 /nfs/dbraw/zinc/18/97/23/372189723.db2.gz ANCHVCGEARMBJN-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000631996863 372717116 /nfs/dbraw/zinc/71/71/16/372717116.db2.gz MZRMIZYCENOHON-JTQLQIEISA-N 1 2 245.326 1.740 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000631996863 372717121 /nfs/dbraw/zinc/71/71/21/372717121.db2.gz MZRMIZYCENOHON-JTQLQIEISA-N 1 2 245.326 1.740 20 30 BDEDLO Cc1cc(NC(=O)NCC(C)(C)CC#N)cc[nH+]1 ZINC000459469246 206128023 /nfs/dbraw/zinc/12/80/23/206128023.db2.gz COHYRRQDUOMVAI-UHFFFAOYSA-N 1 2 246.314 1.873 20 30 BDEDLO CCC[N@H+](CC(N)=O)Cc1ccccc1C#N ZINC000336680084 169110364 /nfs/dbraw/zinc/11/03/64/169110364.db2.gz DLZNBUCSFODYQN-UHFFFAOYSA-N 1 2 231.299 1.256 20 30 BDEDLO CCC[N@@H+](CC(N)=O)Cc1ccccc1C#N ZINC000336680084 169110366 /nfs/dbraw/zinc/11/03/66/169110366.db2.gz DLZNBUCSFODYQN-UHFFFAOYSA-N 1 2 231.299 1.256 20 30 BDEDLO C[C@H](CC(=O)N[C@@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000569488991 384109195 /nfs/dbraw/zinc/10/91/95/384109195.db2.gz DZHNXDYNBKMWCV-KOLCDFICSA-N 1 2 232.287 1.253 20 30 BDEDLO CC#CCN(C)c1cc(CC)[nH+]c(C)n1 ZINC000293927529 384136389 /nfs/dbraw/zinc/13/63/89/384136389.db2.gz FDDCGIFVUZSFFW-UHFFFAOYSA-N 1 2 203.289 1.807 20 30 BDEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](F)C3)n2c1 ZINC000336223185 384163448 /nfs/dbraw/zinc/16/34/48/384163448.db2.gz IWXUKJXKTQMNTD-NSHDSACASA-N 1 2 244.273 1.750 20 30 BDEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](F)C3)n2c1 ZINC000336223185 384163455 /nfs/dbraw/zinc/16/34/55/384163455.db2.gz IWXUKJXKTQMNTD-NSHDSACASA-N 1 2 244.273 1.750 20 30 BDEDLO N#Cc1ccc2[nH+]cc(CN3CC[C@H](F)C3)n2c1 ZINC000336223185 384163459 /nfs/dbraw/zinc/16/34/59/384163459.db2.gz IWXUKJXKTQMNTD-NSHDSACASA-N 1 2 244.273 1.750 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1nccnc1C#N ZINC000054377977 384231115 /nfs/dbraw/zinc/23/11/15/384231115.db2.gz AVZAMQKPAXSTBT-SECBINFHSA-N 1 2 228.259 1.045 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)s1 ZINC000336568857 384240233 /nfs/dbraw/zinc/24/02/33/384240233.db2.gz DPGQFQIHOOVTOB-UHFFFAOYSA-N 1 2 246.295 1.615 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000336426541 384226626 /nfs/dbraw/zinc/22/66/26/384226626.db2.gz DJZZUDAJNOCBKY-UHFFFAOYSA-N 1 2 241.250 1.837 20 30 BDEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH]cc[nH+]1 ZINC000560698684 384305900 /nfs/dbraw/zinc/30/59/00/384305900.db2.gz QVLMCIQJVUQNJA-SSDOTTSWSA-N 1 2 229.243 1.100 20 30 BDEDLO C#CCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000270544791 533054060 /nfs/dbraw/zinc/05/40/60/533054060.db2.gz SBORZAZYSQHATO-UHFFFAOYSA-N 1 2 249.745 1.880 20 30 BDEDLO CC[C@@H](NC(=O)c1ccc(C#N)o1)c1[nH]cc[nH+]1 ZINC000336795642 384284093 /nfs/dbraw/zinc/28/40/93/384284093.db2.gz MADXMVDBDNVCHZ-SECBINFHSA-N 1 2 244.254 1.755 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000335439807 384290876 /nfs/dbraw/zinc/29/08/76/384290876.db2.gz BGZBZKRXRDIOPU-MFKMUULPSA-N 1 2 232.283 1.762 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000335439807 384290879 /nfs/dbraw/zinc/29/08/79/384290879.db2.gz BGZBZKRXRDIOPU-MFKMUULPSA-N 1 2 232.283 1.762 20 30 BDEDLO N#CC1(C(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000044299835 384324696 /nfs/dbraw/zinc/32/46/96/384324696.db2.gz YLPDISPNLKAHIY-UHFFFAOYSA-N 1 2 246.314 1.473 20 30 BDEDLO Cn1ccc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000134014154 384325911 /nfs/dbraw/zinc/32/59/11/384325911.db2.gz LFULODFMBVXMPY-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO Cn1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000134014154 384325915 /nfs/dbraw/zinc/32/59/15/384325915.db2.gz LFULODFMBVXMPY-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO N#C[C@@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000096474831 384460017 /nfs/dbraw/zinc/46/00/17/384460017.db2.gz BFLFGKVBGFGRAF-LLVKDONJSA-N 1 2 239.278 1.964 20 30 BDEDLO C#CCC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000372415816 384509839 /nfs/dbraw/zinc/50/98/39/384509839.db2.gz KGEXCVDRCUPMBI-UHFFFAOYSA-N 1 2 223.316 1.865 20 30 BDEDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000564533540 384540137 /nfs/dbraw/zinc/54/01/37/384540137.db2.gz PYXJYTCUJCEQRL-AOOOYVTPSA-N 1 2 237.328 1.624 20 30 BDEDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C#N)cs2)C1 ZINC000564533540 384540146 /nfs/dbraw/zinc/54/01/46/384540146.db2.gz PYXJYTCUJCEQRL-AOOOYVTPSA-N 1 2 237.328 1.624 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCC1CCC1)C1CC1 ZINC000491416723 384767285 /nfs/dbraw/zinc/76/72/85/384767285.db2.gz LHZSTHSIMNLJTN-UHFFFAOYSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@H+](CC(=O)NCC1CCC1)C1CC1 ZINC000491416723 384767290 /nfs/dbraw/zinc/76/72/90/384767290.db2.gz LHZSTHSIMNLJTN-UHFFFAOYSA-N 1 2 220.316 1.000 20 30 BDEDLO COC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000188798597 384832286 /nfs/dbraw/zinc/83/22/86/384832286.db2.gz GWCHQDLBMSGTGJ-SNVBAGLBSA-N 1 2 232.283 1.724 20 30 BDEDLO COC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000188798597 384832298 /nfs/dbraw/zinc/83/22/98/384832298.db2.gz GWCHQDLBMSGTGJ-SNVBAGLBSA-N 1 2 232.283 1.724 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC(OCC)C2)cc1 ZINC000297404259 384804228 /nfs/dbraw/zinc/80/42/28/384804228.db2.gz KSHPUKWWPZGQOA-UHFFFAOYSA-N 1 2 215.296 1.889 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(COC)on1 ZINC000297868697 384973027 /nfs/dbraw/zinc/97/30/27/384973027.db2.gz PQKYYCZQLDEGJD-UHFFFAOYSA-N 1 2 208.261 1.276 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(COC)on1 ZINC000297868697 384973034 /nfs/dbraw/zinc/97/30/34/384973034.db2.gz PQKYYCZQLDEGJD-UHFFFAOYSA-N 1 2 208.261 1.276 20 30 BDEDLO N#C[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000106306708 384983786 /nfs/dbraw/zinc/98/37/86/384983786.db2.gz BSECPHVKAXDHKH-GFCCVEGCSA-N 1 2 208.305 1.791 20 30 BDEDLO N#C[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000106306708 384983793 /nfs/dbraw/zinc/98/37/93/384983793.db2.gz BSECPHVKAXDHKH-GFCCVEGCSA-N 1 2 208.305 1.791 20 30 BDEDLO C=CCNC(=O)C[N@H+]1Cc2ccc(C)cc2C1 ZINC000361595911 385020191 /nfs/dbraw/zinc/02/01/91/385020191.db2.gz YTCOVJQGJRQAJE-UHFFFAOYSA-N 1 2 230.311 1.613 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361595911 385020197 /nfs/dbraw/zinc/02/01/97/385020197.db2.gz YTCOVJQGJRQAJE-UHFFFAOYSA-N 1 2 230.311 1.613 20 30 BDEDLO CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)C[C@@H](C)C#N ZINC000359243716 385101819 /nfs/dbraw/zinc/10/18/19/385101819.db2.gz XDSVGPHKMLLKFD-JTQLQIEISA-N 1 2 249.314 1.783 20 30 BDEDLO CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)C[C@@H](C)C#N ZINC000359243716 385101825 /nfs/dbraw/zinc/10/18/25/385101825.db2.gz XDSVGPHKMLLKFD-JTQLQIEISA-N 1 2 249.314 1.783 20 30 BDEDLO Cc1c(C#N)cccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000338174391 385214785 /nfs/dbraw/zinc/21/47/85/385214785.db2.gz BIXYMLKIYRRJJT-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000308857476 385219642 /nfs/dbraw/zinc/21/96/42/385219642.db2.gz SWMGUSBILWXMII-VHSXEESVSA-N 1 2 204.277 1.582 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC000127593903 385265945 /nfs/dbraw/zinc/26/59/45/385265945.db2.gz KNPJZJONCFMPGB-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)NCc1c[nH+]cn1C ZINC000292173911 385278729 /nfs/dbraw/zinc/27/87/29/385278729.db2.gz AEIRGNSYCRLANR-SNVBAGLBSA-N 1 2 236.319 1.574 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000491639149 385288167 /nfs/dbraw/zinc/28/81/67/385288167.db2.gz YJVAQSIGQVXENE-VXGBXAGGSA-N 1 2 245.326 1.364 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000491315588 385340963 /nfs/dbraw/zinc/34/09/63/385340963.db2.gz OGBOKSZIUNXQJQ-UHFFFAOYSA-N 1 2 220.320 1.703 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000491315588 385340971 /nfs/dbraw/zinc/34/09/71/385340971.db2.gz OGBOKSZIUNXQJQ-UHFFFAOYSA-N 1 2 220.320 1.703 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(C)c1 ZINC000491298459 385324771 /nfs/dbraw/zinc/32/47/71/385324771.db2.gz VPOFQZHGVZPTSY-AWEZNQCLSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(C)c1 ZINC000491298459 385324776 /nfs/dbraw/zinc/32/47/76/385324776.db2.gz VPOFQZHGVZPTSY-AWEZNQCLSA-N 1 2 215.296 1.829 20 30 BDEDLO Cc1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000272642950 385324874 /nfs/dbraw/zinc/32/48/74/385324874.db2.gz XUDAMLITXMJRAY-UHFFFAOYSA-N 1 2 220.276 1.504 20 30 BDEDLO CCCC[C@H]([NH2+]CCCC#N)C(=O)OC ZINC000309089374 385412588 /nfs/dbraw/zinc/41/25/88/385412588.db2.gz BOHZTKPQUHIDPG-JTQLQIEISA-N 1 2 212.293 1.612 20 30 BDEDLO C#C[C@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC000234043659 259666682 /nfs/dbraw/zinc/66/66/82/259666682.db2.gz MRWAOOXMIAEQSS-MRVPVSSYSA-N 1 2 215.260 1.187 20 30 BDEDLO CCC[C@](C)([NH2+]CCCC#N)C(=O)OC ZINC000109802842 385487798 /nfs/dbraw/zinc/48/77/98/385487798.db2.gz MLNJOOJBHIJVHD-NSHDSACASA-N 1 2 212.293 1.612 20 30 BDEDLO N#CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCCCC1 ZINC000493110082 385522090 /nfs/dbraw/zinc/52/20/90/385522090.db2.gz YRIVNLWAUJNGIE-SNAWJCMRSA-N 1 2 244.298 1.766 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361043791 385522343 /nfs/dbraw/zinc/52/23/43/385522343.db2.gz FZVJLQHXNMKKDN-LLVKDONJSA-N 1 2 230.311 1.865 20 30 BDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000361043791 385522347 /nfs/dbraw/zinc/52/23/47/385522347.db2.gz FZVJLQHXNMKKDN-LLVKDONJSA-N 1 2 230.311 1.865 20 30 BDEDLO C[C@@H](C#N)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000521142878 385613086 /nfs/dbraw/zinc/61/30/86/385613086.db2.gz RTOVYVDWBVCUMZ-JTQLQIEISA-N 1 2 242.282 1.153 20 30 BDEDLO C#CC[N@@H+](Cc1nc(COC)no1)C1CCCC1 ZINC000182454142 385768747 /nfs/dbraw/zinc/76/87/47/385768747.db2.gz CLEJDLILRGRRSG-UHFFFAOYSA-N 1 2 249.314 1.594 20 30 BDEDLO C#CC[N@H+](Cc1nc(COC)no1)C1CCCC1 ZINC000182454142 385768751 /nfs/dbraw/zinc/76/87/51/385768751.db2.gz CLEJDLILRGRRSG-UHFFFAOYSA-N 1 2 249.314 1.594 20 30 BDEDLO Cc1cc(N2CCC(=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000644874647 385799863 /nfs/dbraw/zinc/79/98/63/385799863.db2.gz JILDNZPRKLOJEA-VIFPVBQESA-N 1 2 229.283 1.677 20 30 BDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000187025803 385825198 /nfs/dbraw/zinc/82/51/98/385825198.db2.gz DRPGPMARPADWBO-NSHDSACASA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000187025803 385825206 /nfs/dbraw/zinc/82/52/06/385825206.db2.gz DRPGPMARPADWBO-NSHDSACASA-N 1 2 243.310 1.221 20 30 BDEDLO CC[N@H+](CCC#N)CCc1cscn1 ZINC000295119085 385973529 /nfs/dbraw/zinc/97/35/29/385973529.db2.gz WNCDVIKUCOUZKN-UHFFFAOYSA-N 1 2 209.318 1.921 20 30 BDEDLO CC[N@@H+](CCC#N)CCc1cscn1 ZINC000295119085 385973531 /nfs/dbraw/zinc/97/35/31/385973531.db2.gz WNCDVIKUCOUZKN-UHFFFAOYSA-N 1 2 209.318 1.921 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345099670 385998005 /nfs/dbraw/zinc/99/80/05/385998005.db2.gz QCUGMBZUNNUKMF-UHFFFAOYSA-N 1 2 208.261 1.014 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccoc1 ZINC000345099670 385998013 /nfs/dbraw/zinc/99/80/13/385998013.db2.gz QCUGMBZUNNUKMF-UHFFFAOYSA-N 1 2 208.261 1.014 20 30 BDEDLO C#CC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000301374423 533157724 /nfs/dbraw/zinc/15/77/24/533157724.db2.gz RNALMFQBMBJUFE-UHFFFAOYSA-N 1 2 235.718 1.490 20 30 BDEDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cccc(C#N)c1 ZINC000182103572 386221793 /nfs/dbraw/zinc/22/17/93/386221793.db2.gz JGUWQJVMTAWFSH-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000574998935 386276521 /nfs/dbraw/zinc/27/65/21/386276521.db2.gz CKTXGIUYAXPCFI-UHFFFAOYSA-N 1 2 247.298 1.337 20 30 BDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000574998935 386276528 /nfs/dbraw/zinc/27/65/28/386276528.db2.gz CKTXGIUYAXPCFI-UHFFFAOYSA-N 1 2 247.298 1.337 20 30 BDEDLO C[C@]1(F)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000347372727 386370997 /nfs/dbraw/zinc/37/09/97/386370997.db2.gz KFPPSRLSAHWGSC-MNOVXSKESA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@]1(F)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000347372727 386371005 /nfs/dbraw/zinc/37/10/05/386371005.db2.gz KFPPSRLSAHWGSC-MNOVXSKESA-N 1 2 209.268 1.864 20 30 BDEDLO Cc1cc(NC[C@H]2CCC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000398996919 386411203 /nfs/dbraw/zinc/41/12/03/386411203.db2.gz PYKJPHVPWJRGJG-AAEUAGOBSA-N 1 2 245.326 1.647 20 30 BDEDLO C#CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119054046 533170191 /nfs/dbraw/zinc/17/01/91/533170191.db2.gz KRXMCJVAKLZENL-RYUDHWBXSA-N 1 2 246.314 1.109 20 30 BDEDLO CC#CC[NH2+]C(CC)(CC)C(=O)OCC ZINC000336757332 386583461 /nfs/dbraw/zinc/58/34/61/386583461.db2.gz JEOBVZSFUUWCCC-UHFFFAOYSA-N 1 2 211.305 1.721 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000339756003 386592100 /nfs/dbraw/zinc/59/21/00/386592100.db2.gz ITPWLQOCWRZVIV-LBPRGKRZSA-N 1 2 222.332 1.200 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000339756003 386592106 /nfs/dbraw/zinc/59/21/06/386592106.db2.gz ITPWLQOCWRZVIV-LBPRGKRZSA-N 1 2 222.332 1.200 20 30 BDEDLO Cc1cc(NCCC[C@@H](C)O)c(C#N)c[nH+]1 ZINC000399008602 386550467 /nfs/dbraw/zinc/55/04/67/386550467.db2.gz BOBZOAUXOLZUQE-SNVBAGLBSA-N 1 2 219.288 1.257 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000644938015 386626278 /nfs/dbraw/zinc/62/62/78/386626278.db2.gz SCMLBJWOSSRVLN-GHMZBOCLSA-N 1 2 248.330 1.424 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000644938015 386626284 /nfs/dbraw/zinc/62/62/84/386626284.db2.gz SCMLBJWOSSRVLN-GHMZBOCLSA-N 1 2 248.330 1.424 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CCn2c[nH+]cc2C1 ZINC000294652761 386683495 /nfs/dbraw/zinc/68/34/95/386683495.db2.gz KHBWKYXZPIAKPL-UHFFFAOYSA-N 1 2 241.241 1.437 20 30 BDEDLO CC[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000330565749 386791657 /nfs/dbraw/zinc/79/16/57/386791657.db2.gz KIYHPNGFJIKQPQ-SECBINFHSA-N 1 2 224.308 1.564 20 30 BDEDLO COc1cc(C#N)ccc1Cn1cc[nH+]c1 ZINC000121283712 386816392 /nfs/dbraw/zinc/81/63/92/386816392.db2.gz VJULSSJJHGWWTA-UHFFFAOYSA-N 1 2 213.240 1.812 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccnc1 ZINC000330623894 386822867 /nfs/dbraw/zinc/82/28/67/386822867.db2.gz QIQFCCUOFPDCEX-NSHDSACASA-N 1 2 249.314 1.107 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccnc1 ZINC000330623894 386822872 /nfs/dbraw/zinc/82/28/72/386822872.db2.gz QIQFCCUOFPDCEX-NSHDSACASA-N 1 2 249.314 1.107 20 30 BDEDLO CC(C)[C@@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000330797327 386889665 /nfs/dbraw/zinc/88/96/65/386889665.db2.gz ARCIMWWXDGVTLV-JTQLQIEISA-N 1 2 238.335 1.716 20 30 BDEDLO CCN(CCC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000514942859 387309705 /nfs/dbraw/zinc/30/97/05/387309705.db2.gz UOSUVMVHHHMBKK-LLVKDONJSA-N 1 2 234.303 1.596 20 30 BDEDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160563747 387287383 /nfs/dbraw/zinc/28/73/83/387287383.db2.gz GJUVTWOORWOYAC-UHFFFAOYSA-N 1 2 249.289 1.217 20 30 BDEDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160563747 387287387 /nfs/dbraw/zinc/28/73/87/387287387.db2.gz GJUVTWOORWOYAC-UHFFFAOYSA-N 1 2 249.289 1.217 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000514911802 387306097 /nfs/dbraw/zinc/30/60/97/387306097.db2.gz FKOQGHYVWXXJSB-MNOVXSKESA-N 1 2 249.314 1.770 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(OC)nc1C ZINC000572375790 387354061 /nfs/dbraw/zinc/35/40/61/387354061.db2.gz WXBHKFPRQXJAAF-LLVKDONJSA-N 1 2 234.303 1.576 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nncn1C ZINC000515111875 387338239 /nfs/dbraw/zinc/33/82/39/387338239.db2.gz ZBUVMFDBECAYHL-JTQLQIEISA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nncn1C ZINC000515111875 387338245 /nfs/dbraw/zinc/33/82/45/387338245.db2.gz ZBUVMFDBECAYHL-JTQLQIEISA-N 1 2 206.293 1.356 20 30 BDEDLO C=CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000265318477 387394191 /nfs/dbraw/zinc/39/41/91/387394191.db2.gz HOKWPYATKQFERH-SNVBAGLBSA-N 1 2 207.277 1.354 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000269728886 387423252 /nfs/dbraw/zinc/42/32/52/387423252.db2.gz ZVMGFVWLXFYUPT-SECBINFHSA-N 1 2 248.779 1.292 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000277028415 387527706 /nfs/dbraw/zinc/52/77/06/387527706.db2.gz RVUIVLCFTDCVCA-JTQLQIEISA-N 1 2 241.294 1.699 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000277028415 387527711 /nfs/dbraw/zinc/52/77/11/387527711.db2.gz RVUIVLCFTDCVCA-JTQLQIEISA-N 1 2 241.294 1.699 20 30 BDEDLO CC#CCCCC(=O)NCCNc1cccc[nH+]1 ZINC000274388826 387471137 /nfs/dbraw/zinc/47/11/37/387471137.db2.gz OZRQULDYCMEUDN-UHFFFAOYSA-N 1 2 245.326 1.803 20 30 BDEDLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000104072708 387476630 /nfs/dbraw/zinc/47/66/30/387476630.db2.gz XKEBYLKXTUMXAT-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000104072708 387476635 /nfs/dbraw/zinc/47/66/35/387476635.db2.gz XKEBYLKXTUMXAT-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO CCC[C@H](C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000527240539 387548505 /nfs/dbraw/zinc/54/85/05/387548505.db2.gz XJRLAYKBJCGXMA-SECBINFHSA-N 1 2 220.276 1.151 20 30 BDEDLO CCC[C@H](C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000527240539 387548509 /nfs/dbraw/zinc/54/85/09/387548509.db2.gz XJRLAYKBJCGXMA-SECBINFHSA-N 1 2 220.276 1.151 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000376973086 387684640 /nfs/dbraw/zinc/68/46/40/387684640.db2.gz FWUPNTBMDPRBAV-VIFPVBQESA-N 1 2 246.314 1.323 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000376973086 387684645 /nfs/dbraw/zinc/68/46/45/387684645.db2.gz FWUPNTBMDPRBAV-VIFPVBQESA-N 1 2 246.314 1.323 20 30 BDEDLO CO[C@H](CNc1cc(C)[nH+]cc1C#N)C1CC1 ZINC000399497326 387743145 /nfs/dbraw/zinc/74/31/45/387743145.db2.gz ILUUHVRXWHQZQR-CYBMUJFWSA-N 1 2 231.299 1.521 20 30 BDEDLO COC[C@@H]1C[N@H+](CC2(C#N)CCC2)CCO1 ZINC000450437308 387754692 /nfs/dbraw/zinc/75/46/92/387754692.db2.gz SMJLKWRKSADSRA-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO COC[C@@H]1C[N@@H+](CC2(C#N)CCC2)CCO1 ZINC000450437308 387754697 /nfs/dbraw/zinc/75/46/97/387754697.db2.gz SMJLKWRKSADSRA-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cnccc1C#N ZINC000131113150 387786412 /nfs/dbraw/zinc/78/64/12/387786412.db2.gz LVGZYGFWSSBOGN-SNVBAGLBSA-N 1 2 227.271 1.650 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179517369 387928535 /nfs/dbraw/zinc/92/85/35/387928535.db2.gz UIUOSFKNUNEIOX-NSHDSACASA-N 1 2 230.315 1.495 20 30 BDEDLO C#CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179517369 387928539 /nfs/dbraw/zinc/92/85/39/387928539.db2.gz UIUOSFKNUNEIOX-NSHDSACASA-N 1 2 230.315 1.495 20 30 BDEDLO CN(C)c1noc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000446796112 388039339 /nfs/dbraw/zinc/03/93/39/388039339.db2.gz QIFFHUUZINUYQK-VHSXEESVSA-N 1 2 249.318 1.308 20 30 BDEDLO C#CC[N@@H+](CCCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000117879592 388092229 /nfs/dbraw/zinc/09/22/29/388092229.db2.gz CJWVJJUEGNKJOH-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CCCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000117879592 388092232 /nfs/dbraw/zinc/09/22/32/388092232.db2.gz CJWVJJUEGNKJOH-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO C=CCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646261430 388173164 /nfs/dbraw/zinc/17/31/64/388173164.db2.gz IWORAFVCXIVHBX-UHFFFAOYSA-N 1 2 205.261 1.261 20 30 BDEDLO C=CCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646261430 388173167 /nfs/dbraw/zinc/17/31/67/388173167.db2.gz IWORAFVCXIVHBX-UHFFFAOYSA-N 1 2 205.261 1.261 20 30 BDEDLO C=C(CC)CNC(=O)NCc1[nH+]ccn1C ZINC000454530978 388121899 /nfs/dbraw/zinc/12/18/99/388121899.db2.gz SNKMZFMYDAUKDG-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C)c1C ZINC000490915106 388259540 /nfs/dbraw/zinc/25/95/40/388259540.db2.gz LXPLULAQMFIWEF-UHFFFAOYSA-N 1 2 215.300 1.187 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn(C)c1C ZINC000490915106 388259541 /nfs/dbraw/zinc/25/95/41/388259541.db2.gz LXPLULAQMFIWEF-UHFFFAOYSA-N 1 2 215.300 1.187 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c(C)noc1C ZINC000490690387 388247718 /nfs/dbraw/zinc/24/77/18/388247718.db2.gz RHTKCVKHMILLDA-UHFFFAOYSA-N 1 2 216.284 1.750 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c(C)noc1C ZINC000490690387 388247720 /nfs/dbraw/zinc/24/77/20/388247720.db2.gz RHTKCVKHMILLDA-UHFFFAOYSA-N 1 2 216.284 1.750 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000491285309 388282376 /nfs/dbraw/zinc/28/23/76/388282376.db2.gz CFGRPZWCMOWENJ-JSGCOSHPSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000491285309 388282377 /nfs/dbraw/zinc/28/23/77/388282377.db2.gz CFGRPZWCMOWENJ-JSGCOSHPSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1N(C)C ZINC000491296474 388283363 /nfs/dbraw/zinc/28/33/63/388283363.db2.gz MFBKOVCVTJHGKV-CQSZACIVSA-N 1 2 244.338 1.587 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1N(C)C ZINC000491296474 388283364 /nfs/dbraw/zinc/28/33/64/388283364.db2.gz MFBKOVCVTJHGKV-CQSZACIVSA-N 1 2 244.338 1.587 20 30 BDEDLO N#CC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451620768 388284670 /nfs/dbraw/zinc/28/46/70/388284670.db2.gz QUMNEXDGAHTVQZ-NEPJUHHUSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451620768 388284671 /nfs/dbraw/zinc/28/46/71/388284671.db2.gz QUMNEXDGAHTVQZ-NEPJUHHUSA-N 1 2 220.316 1.791 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000491373305 388289504 /nfs/dbraw/zinc/28/95/04/388289504.db2.gz MSGWKJKZBVSRGO-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000491373305 388289506 /nfs/dbraw/zinc/28/95/06/388289506.db2.gz MSGWKJKZBVSRGO-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC000491376061 388289988 /nfs/dbraw/zinc/28/99/88/388289988.db2.gz YKJXAPPCEPWUBO-CYBMUJFWSA-N 1 2 205.301 1.821 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC000491376061 388289989 /nfs/dbraw/zinc/28/99/89/388289989.db2.gz YKJXAPPCEPWUBO-CYBMUJFWSA-N 1 2 205.301 1.821 20 30 BDEDLO C#CCN(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000491620200 388305389 /nfs/dbraw/zinc/30/53/89/388305389.db2.gz GTEGFXDVRVMQBY-VOTSOKGWSA-N 1 2 217.272 1.008 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000491656755 388308526 /nfs/dbraw/zinc/30/85/26/388308526.db2.gz IOVIJSSIINYGIY-LBPRGKRZSA-N 1 2 244.342 1.925 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000491656755 388308527 /nfs/dbraw/zinc/30/85/27/388308527.db2.gz IOVIJSSIINYGIY-LBPRGKRZSA-N 1 2 244.342 1.925 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000491706268 388313274 /nfs/dbraw/zinc/31/32/74/388313274.db2.gz LQBSHSDHVDTRAJ-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000491706268 388313275 /nfs/dbraw/zinc/31/32/75/388313275.db2.gz LQBSHSDHVDTRAJ-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@@H]1COCCN1c1cc(CC)[nH+]c(C)n1 ZINC000491707524 388313532 /nfs/dbraw/zinc/31/35/32/388313532.db2.gz YGGJADTZJZVXCD-GFCCVEGCSA-N 1 2 231.299 1.186 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000491725857 388315120 /nfs/dbraw/zinc/31/51/20/388315120.db2.gz FHVCAKNVBYHFEE-LBPRGKRZSA-N 1 2 242.322 1.449 20 30 BDEDLO C#CCNC(=O)[C@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000491725857 388315121 /nfs/dbraw/zinc/31/51/21/388315121.db2.gz FHVCAKNVBYHFEE-LBPRGKRZSA-N 1 2 242.322 1.449 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000491725766 388315142 /nfs/dbraw/zinc/31/51/42/388315142.db2.gz BWKLZJPCCSRHKU-JTQLQIEISA-N 1 2 234.274 1.718 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000491725766 388315143 /nfs/dbraw/zinc/31/51/43/388315143.db2.gz BWKLZJPCCSRHKU-JTQLQIEISA-N 1 2 234.274 1.718 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491728026 388315431 /nfs/dbraw/zinc/31/54/31/388315431.db2.gz HZKUEKFRPZZJMF-GHMZBOCLSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491728026 388315432 /nfs/dbraw/zinc/31/54/32/388315432.db2.gz HZKUEKFRPZZJMF-GHMZBOCLSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@H](CC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491733743 388316127 /nfs/dbraw/zinc/31/61/27/388316127.db2.gz AVEVIWXQUZLXBB-SNVBAGLBSA-N 1 2 242.282 1.868 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(C)[nH+]c(CC)n1 ZINC000491746748 388317364 /nfs/dbraw/zinc/31/73/64/388317364.db2.gz YVRGZNQXXWJRFK-JTQLQIEISA-N 1 2 203.289 1.805 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000491788350 388321172 /nfs/dbraw/zinc/32/11/72/388321172.db2.gz WYZCJRNZSVJTOP-SECBINFHSA-N 1 2 247.323 1.512 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000491788350 388321173 /nfs/dbraw/zinc/32/11/73/388321173.db2.gz WYZCJRNZSVJTOP-SECBINFHSA-N 1 2 247.323 1.512 20 30 BDEDLO C#C[C@@H](NC(=O)/C=C\c1[nH+]ccn1CC)C(C)C ZINC000490962298 388262638 /nfs/dbraw/zinc/26/26/38/388262638.db2.gz MITSKTNLDFTWLZ-QDZRJHCZSA-N 1 2 245.326 1.690 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C)CC)Cc1ccccc1 ZINC000491071656 388268119 /nfs/dbraw/zinc/26/81/19/388268119.db2.gz MPNAAMWPWQAJJH-UHFFFAOYSA-N 1 2 244.338 1.600 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C)CC)Cc1ccccc1 ZINC000491071656 388268120 /nfs/dbraw/zinc/26/81/20/388268120.db2.gz MPNAAMWPWQAJJH-UHFFFAOYSA-N 1 2 244.338 1.600 20 30 BDEDLO C#C[C@H](CC)NC(=O)Nc1cc[nH+]cc1C ZINC000491191294 388275869 /nfs/dbraw/zinc/27/58/69/388275869.db2.gz BZFUWKMDXSKLGY-SNVBAGLBSA-N 1 2 217.272 1.345 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000556122931 388350188 /nfs/dbraw/zinc/35/01/88/388350188.db2.gz MKSHAFOEFWZWAJ-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000556122931 388350191 /nfs/dbraw/zinc/35/01/91/388350191.db2.gz MKSHAFOEFWZWAJ-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO N#CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCC1 ZINC000524421180 388358454 /nfs/dbraw/zinc/35/84/54/388358454.db2.gz VWVMYAQNJVJGHK-UHFFFAOYSA-N 1 2 244.298 1.350 20 30 BDEDLO Cc1cc(C#N)ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000122419939 388391425 /nfs/dbraw/zinc/39/14/25/388391425.db2.gz NQYFXTRTRYJZAR-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO C=CCC(CC=C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000177117801 388475514 /nfs/dbraw/zinc/47/55/14/388475514.db2.gz JKHIRDKZFWPRHF-UHFFFAOYSA-N 1 2 233.315 1.837 20 30 BDEDLO C[N@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000177191344 388477184 /nfs/dbraw/zinc/47/71/84/388477184.db2.gz VHALAMUEUDLGGT-UHFFFAOYSA-N 1 2 241.294 1.874 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000177191344 388477188 /nfs/dbraw/zinc/47/71/88/388477188.db2.gz VHALAMUEUDLGGT-UHFFFAOYSA-N 1 2 241.294 1.874 20 30 BDEDLO Cc1cc(N(C)C[C@@H]2COCCO2)c(C#N)c[nH+]1 ZINC000596457379 388415966 /nfs/dbraw/zinc/41/59/66/388415966.db2.gz NQWMKPOXQFOQCV-GFCCVEGCSA-N 1 2 247.298 1.113 20 30 BDEDLO C/C(Cl)=C/C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000528517981 388541004 /nfs/dbraw/zinc/54/10/04/388541004.db2.gz JCJIRWIQHGZWNE-KMKOMSMNSA-N 1 2 241.722 1.187 20 30 BDEDLO C[C@@H](CNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000298304330 388606962 /nfs/dbraw/zinc/60/69/62/388606962.db2.gz NEWYLVAWCKMYHB-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO Cc1ccc(CCNc2nccnc2C#N)c[nH+]1 ZINC000301299561 388610749 /nfs/dbraw/zinc/61/07/49/388610749.db2.gz ZIMJGLUROTZASH-UHFFFAOYSA-N 1 2 239.282 1.706 20 30 BDEDLO CCC[N@@H+](CC#N)CCCSCC#N ZINC000080628947 388560982 /nfs/dbraw/zinc/56/09/82/388560982.db2.gz NYVUQKXCJMXZLM-UHFFFAOYSA-N 1 2 211.334 1.869 20 30 BDEDLO CCC[N@H+](CC#N)CCCSCC#N ZINC000080628947 388560984 /nfs/dbraw/zinc/56/09/84/388560984.db2.gz NYVUQKXCJMXZLM-UHFFFAOYSA-N 1 2 211.334 1.869 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000192227335 388677496 /nfs/dbraw/zinc/67/74/96/388677496.db2.gz QAFFAIOVHWAJIE-UHFFFAOYSA-N 1 2 222.332 1.246 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000192227335 388677499 /nfs/dbraw/zinc/67/74/99/388677499.db2.gz QAFFAIOVHWAJIE-UHFFFAOYSA-N 1 2 222.332 1.246 20 30 BDEDLO Cc1ccc(N(C)Cc2[nH+]ccn2C)nc1C#N ZINC000302710163 388625775 /nfs/dbraw/zinc/62/57/75/388625775.db2.gz LBUTXCCMZIIDAH-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO Cc1ccnc(NCCc2cn(C)c[nH+]2)c1C#N ZINC000313480933 388684426 /nfs/dbraw/zinc/68/44/26/388684426.db2.gz GXIICDSRQBCDSI-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccon1 ZINC000359705606 388631179 /nfs/dbraw/zinc/63/11/79/388631179.db2.gz JGWDOMVSTYTDQO-SECBINFHSA-N 1 2 230.271 1.736 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368329512 388654615 /nfs/dbraw/zinc/65/46/15/388654615.db2.gz KINLOKSXVHRLOR-QWHCGFSZSA-N 1 2 214.268 1.531 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368329512 388654617 /nfs/dbraw/zinc/65/46/17/388654617.db2.gz KINLOKSXVHRLOR-QWHCGFSZSA-N 1 2 214.268 1.531 20 30 BDEDLO CC1(C)CN(C[NH+]2CCC(C#N)CC2)C(=O)O1 ZINC000124041765 388659849 /nfs/dbraw/zinc/65/98/49/388659849.db2.gz XYKREODSLHPXCS-UHFFFAOYSA-N 1 2 237.303 1.410 20 30 BDEDLO Cn1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1C#N ZINC000276802516 388742842 /nfs/dbraw/zinc/74/28/42/388742842.db2.gz WAHSJRPGTDMABB-KBPBESRZSA-N 1 2 245.326 1.650 20 30 BDEDLO Cn1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1C#N ZINC000276802516 388742844 /nfs/dbraw/zinc/74/28/44/388742844.db2.gz WAHSJRPGTDMABB-KBPBESRZSA-N 1 2 245.326 1.650 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)CC(C)(C)CO ZINC000449419797 388749070 /nfs/dbraw/zinc/74/90/70/388749070.db2.gz IBVJMFCWFIYOJR-UHFFFAOYSA-N 1 2 239.344 1.465 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)CC(C)(C)CO ZINC000449419797 388749072 /nfs/dbraw/zinc/74/90/72/388749072.db2.gz IBVJMFCWFIYOJR-UHFFFAOYSA-N 1 2 239.344 1.465 20 30 BDEDLO C=CCN(CC=C)c1[nH+]cnc2c1cnn2C ZINC000192929776 388690484 /nfs/dbraw/zinc/69/04/84/388690484.db2.gz YCAXHHBXIOMUFV-UHFFFAOYSA-N 1 2 229.287 1.542 20 30 BDEDLO N#CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126752225 388700328 /nfs/dbraw/zinc/70/03/28/388700328.db2.gz PUKZAUNHFKODEU-UHFFFAOYSA-N 1 2 226.239 1.126 20 30 BDEDLO Cc1cc(N[C@H]2CCCOCC2)c(C#N)c[nH+]1 ZINC000333221398 388812461 /nfs/dbraw/zinc/81/24/61/388812461.db2.gz ABGZTAGBGNZGEV-LBPRGKRZSA-N 1 2 231.299 1.665 20 30 BDEDLO C[N@H+](Cc1nnc2n1CCC2)[C@H]1CC[C@H](C#N)C1 ZINC000555380245 388848308 /nfs/dbraw/zinc/84/83/08/388848308.db2.gz NVCAEXQDDLUZIZ-QWRGUYRKSA-N 1 2 245.330 1.348 20 30 BDEDLO C[N@@H+](Cc1nnc2n1CCC2)[C@H]1CC[C@H](C#N)C1 ZINC000555380245 388848314 /nfs/dbraw/zinc/84/83/14/388848314.db2.gz NVCAEXQDDLUZIZ-QWRGUYRKSA-N 1 2 245.330 1.348 20 30 BDEDLO CCCC[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565050636 388911151 /nfs/dbraw/zinc/91/11/51/388911151.db2.gz HLZRYKJMFXKOON-WCQYABFASA-N 1 2 239.363 1.773 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C1CC1 ZINC000565180933 388922688 /nfs/dbraw/zinc/92/26/88/388922688.db2.gz KHKSZXZXDPZKIY-GZMMTYOYSA-N 1 2 232.287 1.007 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C1CC1 ZINC000565180933 388922686 /nfs/dbraw/zinc/92/26/86/388922686.db2.gz KHKSZXZXDPZKIY-GZMMTYOYSA-N 1 2 232.287 1.007 20 30 BDEDLO C#C[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)C ZINC000288039007 533261706 /nfs/dbraw/zinc/26/17/06/533261706.db2.gz CNRICLCPTOBSNQ-SNVBAGLBSA-N 1 2 219.288 1.496 20 30 BDEDLO Cc1nc(N2CCn3c[nH+]cc3C2)ccc1C#N ZINC000291785234 132218247 /nfs/dbraw/zinc/21/82/47/132218247.db2.gz CUGXPSCYKXBGOD-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C#N)cn1 ZINC000345674751 133784396 /nfs/dbraw/zinc/78/43/96/133784396.db2.gz YNLJRQVJTHHJQF-UHFFFAOYSA-N 1 2 213.244 1.313 20 30 BDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000330308625 134001166 /nfs/dbraw/zinc/00/11/66/134001166.db2.gz MIMWUWTVAVLRNN-VHSXEESVSA-N 1 2 235.287 1.333 20 30 BDEDLO C=CCOCC[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332436202 134004998 /nfs/dbraw/zinc/00/49/98/134004998.db2.gz WCVSPRILAQBOII-NSHDSACASA-N 1 2 237.303 1.718 20 30 BDEDLO C=CCOCC[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332436202 134004999 /nfs/dbraw/zinc/00/49/99/134004999.db2.gz WCVSPRILAQBOII-NSHDSACASA-N 1 2 237.303 1.718 20 30 BDEDLO N#CC1(C[NH+]2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000335939159 134013579 /nfs/dbraw/zinc/01/35/79/134013579.db2.gz IVTIIIINPPOFRH-UHFFFAOYSA-N 1 2 248.248 1.679 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000352096708 134063028 /nfs/dbraw/zinc/06/30/28/134063028.db2.gz IPTZYXCCNKHQPS-SNVBAGLBSA-N 1 2 243.314 1.560 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000352096708 134063029 /nfs/dbraw/zinc/06/30/29/134063029.db2.gz IPTZYXCCNKHQPS-SNVBAGLBSA-N 1 2 243.314 1.560 20 30 BDEDLO Cc1ccc(Cn2ccnc2C#N)c(C)[nH+]1 ZINC000336081994 134075611 /nfs/dbraw/zinc/07/56/11/134075611.db2.gz HTSPIUFYIZAMQK-UHFFFAOYSA-N 1 2 212.256 1.815 20 30 BDEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C#N)cs1 ZINC000336164109 134112156 /nfs/dbraw/zinc/11/21/56/134112156.db2.gz VCWNZDGTVJAXHL-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C#N)cs1 ZINC000336164109 134112157 /nfs/dbraw/zinc/11/21/57/134112157.db2.gz VCWNZDGTVJAXHL-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO CCN(CCC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000354470704 134168315 /nfs/dbraw/zinc/16/83/15/134168315.db2.gz OTHSMMHIAZHJFB-UHFFFAOYSA-N 1 2 220.276 1.104 20 30 BDEDLO Cn1c[nH+]cc1Cc1noc(C2(C#N)CCC2)n1 ZINC000357980768 134186418 /nfs/dbraw/zinc/18/64/18/134186418.db2.gz VSVDIPYIUZZGJK-UHFFFAOYSA-N 1 2 243.270 1.339 20 30 BDEDLO CC#CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000361247778 134204321 /nfs/dbraw/zinc/20/43/21/134204321.db2.gz ZGAQKEAQVZADIP-UHFFFAOYSA-N 1 2 246.314 1.206 20 30 BDEDLO COCC[C@H]1COCC[N@@H+]1CC1(C#N)CC1 ZINC000361519341 134206409 /nfs/dbraw/zinc/20/64/09/134206409.db2.gz NSNYNHJXUOGUJA-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO COCC[C@H]1COCC[N@H+]1CC1(C#N)CC1 ZINC000361519341 134206410 /nfs/dbraw/zinc/20/64/10/134206410.db2.gz NSNYNHJXUOGUJA-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000368140116 134217627 /nfs/dbraw/zinc/21/76/27/134217627.db2.gz YPYYAKKPQFRZDF-CYBMUJFWSA-N 1 2 247.342 1.813 20 30 BDEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000368140116 134217628 /nfs/dbraw/zinc/21/76/28/134217628.db2.gz YPYYAKKPQFRZDF-CYBMUJFWSA-N 1 2 247.342 1.813 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368880996 134220639 /nfs/dbraw/zinc/22/06/39/134220639.db2.gz WKYMZBRAXZHMQC-QWRGUYRKSA-N 1 2 246.314 1.206 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368822099 134220735 /nfs/dbraw/zinc/22/07/35/134220735.db2.gz KGUZBUHTDRYSQQ-LBPRGKRZSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368822099 134220736 /nfs/dbraw/zinc/22/07/36/134220736.db2.gz KGUZBUHTDRYSQQ-LBPRGKRZSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000373465336 134234506 /nfs/dbraw/zinc/23/45/06/134234506.db2.gz KISDTQUMNOLNON-UHFFFAOYSA-N 1 2 240.266 1.402 20 30 BDEDLO C=CCCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374367383 134236699 /nfs/dbraw/zinc/23/66/99/134236699.db2.gz VQSLNQYPCVFCFT-ZDUSSCGKSA-N 1 2 245.326 1.521 20 30 BDEDLO N#CCC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374540244 134237058 /nfs/dbraw/zinc/23/70/58/134237058.db2.gz WMBGRMLRJZMJMV-HNNXBMFYSA-N 1 2 244.338 1.926 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374540244 134237059 /nfs/dbraw/zinc/23/70/59/134237059.db2.gz WMBGRMLRJZMJMV-HNNXBMFYSA-N 1 2 244.338 1.926 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1 ZINC000304913202 134238852 /nfs/dbraw/zinc/23/88/52/134238852.db2.gz WTBLDUPDZFZGSS-CHWSQXEVSA-N 1 2 248.326 1.660 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000304913202 134238853 /nfs/dbraw/zinc/23/88/53/134238853.db2.gz WTBLDUPDZFZGSS-CHWSQXEVSA-N 1 2 248.326 1.660 20 30 BDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H](C#N)CCC#N ZINC000305780772 134242683 /nfs/dbraw/zinc/24/26/83/134242683.db2.gz TYBSCYNUHCWOJX-BDAKNGLRSA-N 1 2 249.236 1.285 20 30 BDEDLO C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H](C#N)CCC#N ZINC000305780772 134242684 /nfs/dbraw/zinc/24/26/84/134242684.db2.gz TYBSCYNUHCWOJX-BDAKNGLRSA-N 1 2 249.236 1.285 20 30 BDEDLO C=CCCC(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377453322 134243989 /nfs/dbraw/zinc/24/39/89/134243989.db2.gz VEFLTNXXGHUHAE-UHFFFAOYSA-N 1 2 243.270 1.567 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCNC(=O)CC2)c1F ZINC000223532046 134340315 /nfs/dbraw/zinc/34/03/15/134340315.db2.gz CZCNZXKYRUUZHW-UHFFFAOYSA-N 1 2 247.273 1.019 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCNC(=O)CC2)c1F ZINC000223532046 134340316 /nfs/dbraw/zinc/34/03/16/134340316.db2.gz CZCNZXKYRUUZHW-UHFFFAOYSA-N 1 2 247.273 1.019 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1ncnn1CC(C)C ZINC000183117075 134348893 /nfs/dbraw/zinc/34/88/93/134348893.db2.gz BFJUEMHJLDLNPY-UHFFFAOYSA-N 1 2 222.336 1.942 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1ncnn1CC(C)C ZINC000183117075 134348894 /nfs/dbraw/zinc/34/88/94/134348894.db2.gz BFJUEMHJLDLNPY-UHFFFAOYSA-N 1 2 222.336 1.942 20 30 BDEDLO C=C(C)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000092892579 134436587 /nfs/dbraw/zinc/43/65/87/134436587.db2.gz DKFKXKCIRNNUQA-UHFFFAOYSA-N 1 2 220.272 1.908 20 30 BDEDLO N#CCCNCc1[nH+]ccn1CC(F)(F)F ZINC000309513311 134444272 /nfs/dbraw/zinc/44/42/72/134444272.db2.gz QIVXRCXZHAOHIK-UHFFFAOYSA-N 1 2 232.209 1.449 20 30 BDEDLO NC(CCO)=[NH+]OCc1c(F)cccc1Cl ZINC000136073904 134784604 /nfs/dbraw/zinc/78/46/04/134784604.db2.gz DFSMGIGPEKSSOE-UHFFFAOYSA-N 1 2 246.669 1.650 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](CC)C[C@@H](C)C#N)C1=O ZINC000337132905 135002083 /nfs/dbraw/zinc/00/20/83/135002083.db2.gz KNAJCDOPYKPJTL-RYUDHWBXSA-N 1 2 235.331 1.255 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](CC)C[C@@H](C)C#N)C1=O ZINC000337132905 135002084 /nfs/dbraw/zinc/00/20/84/135002084.db2.gz KNAJCDOPYKPJTL-RYUDHWBXSA-N 1 2 235.331 1.255 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)CC2(C#N)CC2)C1=O ZINC000337227636 135007250 /nfs/dbraw/zinc/00/72/50/135007250.db2.gz QITCAUQLQQXSHX-LLVKDONJSA-N 1 2 233.315 1.009 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC2(C#N)CC2)C1=O ZINC000337227636 135007251 /nfs/dbraw/zinc/00/72/51/135007251.db2.gz QITCAUQLQQXSHX-LLVKDONJSA-N 1 2 233.315 1.009 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000338348875 135035605 /nfs/dbraw/zinc/03/56/05/135035605.db2.gz MJTHGPXWPUSNTM-LLVKDONJSA-N 1 2 243.347 1.635 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249924756 135047139 /nfs/dbraw/zinc/04/71/39/135047139.db2.gz BQUNOZDCQRVYIO-VXGBXAGGSA-N 1 2 239.363 1.725 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249924756 135047140 /nfs/dbraw/zinc/04/71/40/135047140.db2.gz BQUNOZDCQRVYIO-VXGBXAGGSA-N 1 2 239.363 1.725 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000339750453 135080212 /nfs/dbraw/zinc/08/02/12/135080212.db2.gz CUIRJSNNXJUUMF-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000339750453 135080215 /nfs/dbraw/zinc/08/02/15/135080215.db2.gz CUIRJSNNXJUUMF-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCCC#N ZINC000113004138 135088375 /nfs/dbraw/zinc/08/83/75/135088375.db2.gz KGKKISIGUDNWAG-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCCC#N ZINC000113004138 135088376 /nfs/dbraw/zinc/08/83/76/135088376.db2.gz KGKKISIGUDNWAG-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCCC#N ZINC000264127547 135134307 /nfs/dbraw/zinc/13/43/07/135134307.db2.gz NISKIVBPNLLODM-LLVKDONJSA-N 1 2 249.318 1.265 20 30 BDEDLO N#CC1(C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000336629139 135177041 /nfs/dbraw/zinc/17/70/41/135177041.db2.gz BOGNQZBBZMZLBU-VIFPVBQESA-N 1 2 207.277 1.680 20 30 BDEDLO N#CC1(C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000336629139 135177043 /nfs/dbraw/zinc/17/70/43/135177043.db2.gz BOGNQZBBZMZLBU-VIFPVBQESA-N 1 2 207.277 1.680 20 30 BDEDLO Oc1ccc(/C=[NH+]/C[C@@H]2CCOC2)c(O)c1O ZINC000298447651 135199109 /nfs/dbraw/zinc/19/91/09/135199109.db2.gz XDJWNLMWSRXWGM-UVDXRHSJSA-N 1 2 237.255 1.259 20 30 BDEDLO N#CCC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000298887911 135201287 /nfs/dbraw/zinc/20/12/87/135201287.db2.gz KVZQUHBSHZLSKC-NSHDSACASA-N 1 2 208.236 1.362 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC000121311560 135222000 /nfs/dbraw/zinc/22/20/00/135222000.db2.gz KDKRYHBYECSXNS-UHFFFAOYSA-N 1 2 225.317 1.224 20 30 BDEDLO C=CC[N@H+](C)CC(=O)N(C)c1nccs1 ZINC000121311560 135222002 /nfs/dbraw/zinc/22/20/02/135222002.db2.gz KDKRYHBYECSXNS-UHFFFAOYSA-N 1 2 225.317 1.224 20 30 BDEDLO CCN(Cc1[nH+]cc(C)n1C)C[C@H](C)C#N ZINC000342792218 135319428 /nfs/dbraw/zinc/31/94/28/135319428.db2.gz PPXDWIHGTKXVOL-SNVBAGLBSA-N 1 2 220.320 1.710 20 30 BDEDLO CCN(CCC#N)Cc1[nH+]cc(C)n1C ZINC000342793680 135319898 /nfs/dbraw/zinc/31/98/98/135319898.db2.gz RTIJYRCXUDSXRV-UHFFFAOYSA-N 1 2 206.293 1.464 20 30 BDEDLO Cc1c[nH+]c(CN(CCC#N)CC2CC2)n1C ZINC000342799075 135320363 /nfs/dbraw/zinc/32/03/63/135320363.db2.gz MWSUSNCXCANMRD-UHFFFAOYSA-N 1 2 232.331 1.854 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000334308096 135349818 /nfs/dbraw/zinc/34/98/18/135349818.db2.gz FFZKJJMWACVYSP-GHMZBOCLSA-N 1 2 206.289 1.543 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000334308096 135349820 /nfs/dbraw/zinc/34/98/20/135349820.db2.gz FFZKJJMWACVYSP-GHMZBOCLSA-N 1 2 206.289 1.543 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1ccnc(OC)n1 ZINC000294947084 135379185 /nfs/dbraw/zinc/37/91/85/135379185.db2.gz CZZSKDJRVVNNNL-UHFFFAOYSA-N 1 2 213.668 1.327 20 30 BDEDLO N#Cc1csc(CN2CCn3c[nH+]cc3C2)c1 ZINC000335324828 136051258 /nfs/dbraw/zinc/05/12/58/136051258.db2.gz DCYVSKNYGHBKGB-UHFFFAOYSA-N 1 2 244.323 1.832 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335557088 136099789 /nfs/dbraw/zinc/09/97/89/136099789.db2.gz FRIPXOKHINKCJD-SNVBAGLBSA-N 1 2 219.288 1.090 20 30 BDEDLO N#CC[C@@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000591975584 397939803 /nfs/dbraw/zinc/93/98/03/397939803.db2.gz HMJIDYYUNCVDOB-CYBMUJFWSA-N 1 2 242.282 1.418 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000320187906 397961948 /nfs/dbraw/zinc/96/19/48/397961948.db2.gz UGZZFHFZCVENNV-SNVBAGLBSA-N 1 2 207.277 1.524 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000591014898 397920437 /nfs/dbraw/zinc/92/04/37/397920437.db2.gz FJKDDPYMIQOBLZ-DTWKUNHWSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000591014898 397920441 /nfs/dbraw/zinc/92/04/41/397920441.db2.gz FJKDDPYMIQOBLZ-DTWKUNHWSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000591014897 397920502 /nfs/dbraw/zinc/92/05/02/397920502.db2.gz FJKDDPYMIQOBLZ-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000591014897 397920504 /nfs/dbraw/zinc/92/05/04/397920504.db2.gz FJKDDPYMIQOBLZ-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)on1 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168294521 /nfs/dbraw/zinc/29/45/21/168294521.db2.gz YBFOIUNXEOGYJZ-WDEREUQCSA-N 1 2 239.363 1.771 20 30 BDEDLO C=CC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000661384935 411765629 /nfs/dbraw/zinc/76/56/29/411765629.db2.gz MEPHHWRFMZVRGD-LLVKDONJSA-N 1 2 220.320 1.635 20 30 BDEDLO C=CC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000661384935 411765631 /nfs/dbraw/zinc/76/56/31/411765631.db2.gz MEPHHWRFMZVRGD-LLVKDONJSA-N 1 2 220.320 1.635 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662371307 412128134 /nfs/dbraw/zinc/12/81/34/412128134.db2.gz HUFKJXBOOFULES-KOLCDFICSA-N 1 2 235.274 1.279 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662371307 412128137 /nfs/dbraw/zinc/12/81/37/412128137.db2.gz HUFKJXBOOFULES-KOLCDFICSA-N 1 2 235.274 1.279 20 30 BDEDLO C[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000102749174 173072397 /nfs/dbraw/zinc/07/23/97/173072397.db2.gz JEWBLWPKSXIGKI-UHFFFAOYSA-N 1 2 235.312 1.007 20 30 BDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000179335589 173306104 /nfs/dbraw/zinc/30/61/04/173306104.db2.gz JOMZUZJJVXSHES-GFCCVEGCSA-N 1 2 247.298 1.252 20 30 BDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000179335589 173306105 /nfs/dbraw/zinc/30/61/05/173306105.db2.gz JOMZUZJJVXSHES-GFCCVEGCSA-N 1 2 247.298 1.252 20 30 BDEDLO COCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178388626 174222920 /nfs/dbraw/zinc/22/29/20/174222920.db2.gz FQZCUQDMFFQBOG-UHFFFAOYSA-N 1 2 233.315 1.834 20 30 BDEDLO COCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178388626 174222923 /nfs/dbraw/zinc/22/29/23/174222923.db2.gz FQZCUQDMFFQBOG-UHFFFAOYSA-N 1 2 233.315 1.834 20 30 BDEDLO COc1cc[nH+]cc1Cn1cnc(C#N)c1C#N ZINC000310978120 175373477 /nfs/dbraw/zinc/37/34/77/175373477.db2.gz FKSUPUYQTBKPTR-UHFFFAOYSA-N 1 2 239.238 1.078 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccccc1C#N ZINC000372384857 176050360 /nfs/dbraw/zinc/05/03/60/176050360.db2.gz MYEWOHYEJAVYJZ-LLVKDONJSA-N 1 2 243.310 1.269 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccccc1C#N ZINC000372384857 176050362 /nfs/dbraw/zinc/05/03/62/176050362.db2.gz MYEWOHYEJAVYJZ-LLVKDONJSA-N 1 2 243.310 1.269 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000179862680 176303480 /nfs/dbraw/zinc/30/34/80/176303480.db2.gz IOSGRYQIEXZQAJ-SECBINFHSA-N 1 2 206.245 1.372 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000179862680 176303481 /nfs/dbraw/zinc/30/34/81/176303481.db2.gz IOSGRYQIEXZQAJ-SECBINFHSA-N 1 2 206.245 1.372 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191862319 177261957 /nfs/dbraw/zinc/26/19/57/177261957.db2.gz JUWQCZRNJQZPOQ-JTQLQIEISA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191862319 177261958 /nfs/dbraw/zinc/26/19/58/177261958.db2.gz JUWQCZRNJQZPOQ-JTQLQIEISA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@H]1COCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356100255 177288923 /nfs/dbraw/zinc/28/89/23/177288923.db2.gz AJJHMGWVDFWXGO-SECBINFHSA-N 1 2 237.328 1.483 20 30 BDEDLO C[C@H]1COCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356100255 177288925 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/nfs/dbraw/zinc/01/88/20/323018820.db2.gz COUNDHOPEDNKKC-UHFFFAOYSA-N 1 2 243.310 1.708 20 30 BDEDLO CNC(=O)CCC[N@H+](CCC#N)Cc1ccco1 ZINC000562441990 323020028 /nfs/dbraw/zinc/02/00/28/323020028.db2.gz JTQZUQXRETUREI-UHFFFAOYSA-N 1 2 249.314 1.521 20 30 BDEDLO CNC(=O)CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000562441990 323020029 /nfs/dbraw/zinc/02/00/29/323020029.db2.gz JTQZUQXRETUREI-UHFFFAOYSA-N 1 2 249.314 1.521 20 30 BDEDLO Cn1ccnc1[C@@H]1CC[N@H+](CCC#N)C1 ZINC000569713104 323038359 /nfs/dbraw/zinc/03/83/59/323038359.db2.gz IKGNVSMRWOTARF-SNVBAGLBSA-N 1 2 204.277 1.123 20 30 BDEDLO Cn1ccnc1[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000569713104 323038360 /nfs/dbraw/zinc/03/83/60/323038360.db2.gz IKGNVSMRWOTARF-SNVBAGLBSA-N 1 2 204.277 1.123 20 30 BDEDLO CC1(C)C[NH+](CC(=O)NCC2(C#N)CCC2)C1 ZINC000569823714 323041553 /nfs/dbraw/zinc/04/15/53/323041553.db2.gz BUNMNHNENASXRJ-UHFFFAOYSA-N 1 2 235.331 1.138 20 30 BDEDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)CCC#N ZINC000570847535 323072561 /nfs/dbraw/zinc/07/25/61/323072561.db2.gz HVAXBJWXUNNTCT-SNVBAGLBSA-N 1 2 221.308 1.329 20 30 BDEDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)CCC#N ZINC000570847535 323072562 /nfs/dbraw/zinc/07/25/62/323072562.db2.gz HVAXBJWXUNNTCT-SNVBAGLBSA-N 1 2 221.308 1.329 20 30 BDEDLO CS[C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220387 323104656 /nfs/dbraw/zinc/10/46/56/323104656.db2.gz MHKHKHGSGDUZII-GXSJLCMTSA-N 1 2 243.376 1.088 20 30 BDEDLO CCOc1cccc(C[NH2+]C[C@H](C)C#N)n1 ZINC000309903356 323121602 /nfs/dbraw/zinc/12/16/02/323121602.db2.gz IVRLZSWHVCCCTL-SNVBAGLBSA-N 1 2 219.288 1.730 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563539804 323130032 /nfs/dbraw/zinc/13/00/32/323130032.db2.gz XFUODAZLOPYIMD-MNOVXSKESA-N 1 2 234.303 1.643 20 30 BDEDLO Cc1cc(NC(=O)NC[C@H](C)C#N)c(C)c[nH+]1 ZINC000536618630 323198658 /nfs/dbraw/zinc/19/86/58/323198658.db2.gz MWMPBSXGRJLPRO-MRVPVSSYSA-N 1 2 232.287 1.402 20 30 BDEDLO CC1CC(C#N)(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000532323509 323246812 /nfs/dbraw/zinc/24/68/12/323246812.db2.gz FACDIUUEJKVSMY-UHFFFAOYSA-N 1 2 244.298 1.206 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000121360717 324012683 /nfs/dbraw/zinc/01/26/83/324012683.db2.gz PQRMGWVXFFNEBF-UHFFFAOYSA-N 1 2 225.317 1.508 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000121360717 324012686 /nfs/dbraw/zinc/01/26/86/324012686.db2.gz PQRMGWVXFFNEBF-UHFFFAOYSA-N 1 2 225.317 1.508 20 30 BDEDLO C#CCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000491745279 324159232 /nfs/dbraw/zinc/15/92/32/324159232.db2.gz YETBUVRZHDRBKQ-UHFFFAOYSA-N 1 2 228.299 1.261 20 30 BDEDLO N#CCC[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000572512811 324165373 /nfs/dbraw/zinc/16/53/73/324165373.db2.gz JUNCDRBSYWHDKW-SNVBAGLBSA-N 1 2 206.220 1.762 20 30 BDEDLO Cc1occc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564147002 324177644 /nfs/dbraw/zinc/17/76/44/324177644.db2.gz XCMKYTREVXPQFT-GFCCVEGCSA-N 1 2 235.287 1.162 20 30 BDEDLO Cc1cc(NC(=O)NCCCC#N)c(C)c[nH+]1 ZINC000542406000 325024643 /nfs/dbraw/zinc/02/46/43/325024643.db2.gz XRAVETGBLRLFLO-UHFFFAOYSA-N 1 2 232.287 1.546 20 30 BDEDLO CCN(C)C(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000130488360 325057537 /nfs/dbraw/zinc/05/75/37/325057537.db2.gz BAQHHJFHEJWCQI-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO CCN(C)C(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000130488360 325057539 /nfs/dbraw/zinc/05/75/39/325057539.db2.gz BAQHHJFHEJWCQI-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO CCc1nnc(C[NH+]2CCC(CC#N)CC2)o1 ZINC000542883631 325060078 /nfs/dbraw/zinc/06/00/78/325060078.db2.gz UVQHKSNQCBDFTA-UHFFFAOYSA-N 1 2 234.303 1.758 20 30 BDEDLO O[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135044365 325390370 /nfs/dbraw/zinc/39/03/70/325390370.db2.gz HYMDAWIIKAMPLU-LBPRGKRZSA-N 1 2 235.714 1.758 20 30 BDEDLO O[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135044365 325390371 /nfs/dbraw/zinc/39/03/71/325390371.db2.gz HYMDAWIIKAMPLU-LBPRGKRZSA-N 1 2 235.714 1.758 20 30 BDEDLO C=CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000548616198 325468705 /nfs/dbraw/zinc/46/87/05/325468705.db2.gz QSMOLAHGSUJTON-UHFFFAOYSA-N 1 2 243.310 1.830 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000565308963 325892372 /nfs/dbraw/zinc/89/23/72/325892372.db2.gz WYYDZTDAVFLYBT-SCRDCRAPSA-N 1 2 249.358 1.383 20 30 BDEDLO CC#CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000154535757 326149351 /nfs/dbraw/zinc/14/93/51/326149351.db2.gz BIRJIZUJLHRRRW-UHFFFAOYSA-N 1 2 239.278 1.625 20 30 BDEDLO CCc1cc(=O)[nH]c(C[NH2+][C@H](CC)CC#N)n1 ZINC000567364272 326175056 /nfs/dbraw/zinc/17/50/56/326175056.db2.gz DQSTUGYJGCRXSU-SECBINFHSA-N 1 2 234.303 1.526 20 30 BDEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995206 326293918 /nfs/dbraw/zinc/29/39/18/326293918.db2.gz DTEHJVFZHHXVEJ-NQBHXWOUSA-N 1 2 237.347 1.383 20 30 BDEDLO C=C(C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682533297 487979648 /nfs/dbraw/zinc/97/96/48/487979648.db2.gz FBPSGMWWTSQYIW-SNVBAGLBSA-N 1 2 219.288 1.138 20 30 BDEDLO C=CC[N@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000602916838 488003011 /nfs/dbraw/zinc/00/30/11/488003011.db2.gz RJDLPICLCYMQNK-LBPRGKRZSA-N 1 2 227.304 1.217 20 30 BDEDLO C=CC[N@@H+]1CCCC[C@]1(COC)C(=O)OC ZINC000602916838 488003014 /nfs/dbraw/zinc/00/30/14/488003014.db2.gz RJDLPICLCYMQNK-LBPRGKRZSA-N 1 2 227.304 1.217 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000491683658 488037568 /nfs/dbraw/zinc/03/75/68/488037568.db2.gz ZZWGARSTCVDNAP-VIFPVBQESA-N 1 2 237.324 1.988 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1ccsc1C(=O)OC ZINC000491683658 488037569 /nfs/dbraw/zinc/03/75/69/488037569.db2.gz ZZWGARSTCVDNAP-VIFPVBQESA-N 1 2 237.324 1.988 20 30 BDEDLO C=C1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667601544 488056317 /nfs/dbraw/zinc/05/63/17/488056317.db2.gz DNSJDPMHHVZXQV-UHFFFAOYSA-N 1 2 205.305 1.881 20 30 BDEDLO C=CCN(C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081271 488068120 /nfs/dbraw/zinc/06/81/20/488068120.db2.gz CFRHJOUXJALMTA-UHFFFAOYSA-N 1 2 234.303 1.219 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677730044 488108774 /nfs/dbraw/zinc/10/87/74/488108774.db2.gz AKSNLVRBJIATAM-SECBINFHSA-N 1 2 244.285 1.408 20 30 BDEDLO COCC#CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000677817316 488131776 /nfs/dbraw/zinc/13/17/76/488131776.db2.gz OEBQYEIXILBKBV-GFCCVEGCSA-N 1 2 218.300 1.515 20 30 BDEDLO COCC#CC[N@H+]1CCn2cccc2[C@H]1C ZINC000677817316 488131777 /nfs/dbraw/zinc/13/17/77/488131777.db2.gz OEBQYEIXILBKBV-GFCCVEGCSA-N 1 2 218.300 1.515 20 30 BDEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)NC ZINC000668790689 487542530 /nfs/dbraw/zinc/54/25/30/487542530.db2.gz RRZDWZMQSWTDAR-UHFFFAOYSA-N 1 2 248.326 1.429 20 30 BDEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)NC ZINC000668790689 487542534 /nfs/dbraw/zinc/54/25/34/487542534.db2.gz RRZDWZMQSWTDAR-UHFFFAOYSA-N 1 2 248.326 1.429 20 30 BDEDLO CC#CCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149748 488165540 /nfs/dbraw/zinc/16/55/40/488165540.db2.gz WRJMMQDOTHBVSP-GFCCVEGCSA-N 1 2 245.326 1.508 20 30 BDEDLO C=CCN(c1cc(-n2cc[nH+]c2)ncn1)C1CC1 ZINC000678483030 488260481 /nfs/dbraw/zinc/26/04/81/488260481.db2.gz RRUFRUFYZCCIAN-UHFFFAOYSA-N 1 2 241.298 1.817 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000592133313 490127934 /nfs/dbraw/zinc/12/79/34/490127934.db2.gz PACVAKGDMJKRDJ-GHMZBOCLSA-N 1 2 227.304 1.213 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000592133313 490127932 /nfs/dbraw/zinc/12/79/32/490127932.db2.gz PACVAKGDMJKRDJ-GHMZBOCLSA-N 1 2 227.304 1.213 20 30 BDEDLO N#CCCOCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405113364 490269106 /nfs/dbraw/zinc/26/91/06/490269106.db2.gz POYKXWUBOJEBQP-UHFFFAOYSA-N 1 2 241.294 1.804 20 30 BDEDLO N#CCCOCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405113364 490269110 /nfs/dbraw/zinc/26/91/10/490269110.db2.gz POYKXWUBOJEBQP-UHFFFAOYSA-N 1 2 241.294 1.804 20 30 BDEDLO C=CC[C@@H]([NH2+]C1CC2(CC2(F)F)C1)C(=O)OC ZINC001332065874 974939454 /nfs/dbraw/zinc/93/94/54/974939454.db2.gz SLSHVUKHWPHFHC-INWMGODYSA-N 1 2 245.269 1.882 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000273816451 536058300 /nfs/dbraw/zinc/05/83/00/536058300.db2.gz CACPILYXHVGPHV-LLVKDONJSA-N 1 2 233.319 1.324 20 30 BDEDLO C[C@H](C#N)CN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493514978 534286940 /nfs/dbraw/zinc/28/69/40/534286940.db2.gz LFSDKIDFIVONFA-UMCURTJPSA-N 1 2 244.298 1.574 20 30 BDEDLO C=CC[C@@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000358530618 534319944 /nfs/dbraw/zinc/31/99/44/534319944.db2.gz RQDJXZOYZBNKEJ-VIFPVBQESA-N 1 2 232.287 1.615 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000087595203 536314438 /nfs/dbraw/zinc/31/44/38/536314438.db2.gz WSBCAXGJTCPIBA-JTQLQIEISA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000087595203 536314440 /nfs/dbraw/zinc/31/44/40/536314440.db2.gz WSBCAXGJTCPIBA-JTQLQIEISA-N 1 2 244.360 1.045 20 30 BDEDLO C=C1CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000334171162 534463577 /nfs/dbraw/zinc/46/35/77/534463577.db2.gz ANIGPGMXCCTMOB-UHFFFAOYSA-N 1 2 231.299 1.094 20 30 BDEDLO C=CC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC000373862072 534528948 /nfs/dbraw/zinc/52/89/48/534528948.db2.gz DZBAEPGBTXVOBM-UHFFFAOYSA-N 1 2 248.330 1.206 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358390723 534612922 /nfs/dbraw/zinc/61/29/22/534612922.db2.gz HLLOKZKIHYJDCR-YGRLFVJLSA-N 1 2 247.342 1.986 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358390723 534612929 /nfs/dbraw/zinc/61/29/29/534612929.db2.gz HLLOKZKIHYJDCR-YGRLFVJLSA-N 1 2 247.342 1.986 20 30 BDEDLO C=CCCC[NH2+][C@](C)(COC)C(=O)OC ZINC000182610083 534735592 /nfs/dbraw/zinc/73/55/92/534735592.db2.gz UJUYBVMIALVRBU-LLVKDONJSA-N 1 2 215.293 1.120 20 30 BDEDLO C=CC[NH+](CC=C)Cc1nc(CC)cc(=O)[nH]1 ZINC000120986367 534829088 /nfs/dbraw/zinc/82/90/88/534829088.db2.gz HKZOLGOYVYMDPN-UHFFFAOYSA-N 1 2 233.315 1.919 20 30 BDEDLO C=CC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189556447 534853496 /nfs/dbraw/zinc/85/34/96/534853496.db2.gz IQRQHVBEQSRUBF-SNVBAGLBSA-N 1 2 220.320 1.964 20 30 BDEDLO C=CC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189556447 534853497 /nfs/dbraw/zinc/85/34/97/534853497.db2.gz IQRQHVBEQSRUBF-SNVBAGLBSA-N 1 2 220.320 1.964 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)OC ZINC000361110913 534880620 /nfs/dbraw/zinc/88/06/20/534880620.db2.gz RQRMUKTYHUGCCJ-JQWIXIFHSA-N 1 2 241.331 1.509 20 30 BDEDLO C=C(Cl)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495800288 526884816 /nfs/dbraw/zinc/88/48/16/526884816.db2.gz TWZKEGUKLPFXGL-UHFFFAOYSA-N 1 2 246.738 1.902 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858248 527034458 /nfs/dbraw/zinc/03/44/58/527034458.db2.gz FPBIZHFAUZUIFB-VQCYPWCPSA-N 1 2 219.288 1.894 20 30 BDEDLO C=CCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493477536 527200394 /nfs/dbraw/zinc/20/03/94/527200394.db2.gz GBVFZJXAGOYCBA-AATRIKPKSA-N 1 2 205.261 1.505 20 30 BDEDLO C=CCCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492764625 527202162 /nfs/dbraw/zinc/20/21/62/527202162.db2.gz PUKWCDUXJYPYCW-FPLPWBNLSA-N 1 2 233.315 1.999 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)NCc1[nH+]ccn1CC ZINC000491806870 527254849 /nfs/dbraw/zinc/25/48/49/527254849.db2.gz RGZACXMDZFLFBS-NSHDSACASA-N 1 2 248.330 1.504 20 30 BDEDLO CCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493660197 528351068 /nfs/dbraw/zinc/35/10/68/528351068.db2.gz UHMIMWOXGKEONJ-PLNGDYQASA-N 1 2 218.260 1.185 20 30 BDEDLO CCOC(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000492795545 528993497 /nfs/dbraw/zinc/99/34/97/528993497.db2.gz UWIQTQFRHVKRJU-NSHDSACASA-N 1 2 239.319 1.453 20 30 BDEDLO CC(C)[C@H](NC(=O)CCCC#N)c1[nH]cc[nH+]1 ZINC000293313246 535076545 /nfs/dbraw/zinc/07/65/45/535076545.db2.gz NLRDUJGLVDJMBI-NSHDSACASA-N 1 2 234.303 1.917 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NC1C[NH+](C(C)C)C1 ZINC000332053787 535969393 /nfs/dbraw/zinc/96/93/93/535969393.db2.gz MPRLBZALYJFPKT-LBPRGKRZSA-N 1 2 223.320 1.135 20 30 BDEDLO C[N@H+](CCC#N)CCc1ccccc1[N+](=O)[O-] ZINC000062726626 536299124 /nfs/dbraw/zinc/29/91/24/536299124.db2.gz HRYZWRRGKLGOTE-UHFFFAOYSA-N 1 2 233.271 1.983 20 30 BDEDLO C[N@@H+](CCC#N)CCc1ccccc1[N+](=O)[O-] ZINC000062726626 536299127 /nfs/dbraw/zinc/29/91/27/536299127.db2.gz HRYZWRRGKLGOTE-UHFFFAOYSA-N 1 2 233.271 1.983 20 30 BDEDLO C[N@H+](CCC#N)[C@H]1Cc2ccccc2[C@H]1O ZINC000252735062 536301388 /nfs/dbraw/zinc/30/13/88/536301388.db2.gz HKXZNYLHXMLXQF-QWHCGFSZSA-N 1 2 216.284 1.490 20 30 BDEDLO C[N@@H+](CCC#N)[C@H]1Cc2ccccc2[C@H]1O ZINC000252735062 536301391 /nfs/dbraw/zinc/30/13/91/536301391.db2.gz HKXZNYLHXMLXQF-QWHCGFSZSA-N 1 2 216.284 1.490 20 30 BDEDLO COc1cc(C[NH2+]CCC#N)cc(OC)c1O ZINC000020200109 536795856 /nfs/dbraw/zinc/79/58/56/536795856.db2.gz LTXAUSFPCJHGCI-UHFFFAOYSA-N 1 2 236.271 1.413 20 30 BDEDLO c1[nH+]c2n(c1CN=Nc1cccnn1)CCC2 ZINC000853309321 588731825 /nfs/dbraw/zinc/73/18/25/588731825.db2.gz NPFQZIXHBGBXGF-UHFFFAOYSA-N 1 2 228.259 1.065 20 30 BDEDLO COc1nccnc1N=NCc1[nH]c(C)c(C)[nH+]1 ZINC000853334134 588734344 /nfs/dbraw/zinc/73/43/44/588734344.db2.gz QQTMEHIABROKKO-UHFFFAOYSA-N 1 2 246.274 1.271 20 30 BDEDLO CC[C@H](C)NN=Cc1c[nH+]c2n1CCC2 ZINC000853337281 588734762 /nfs/dbraw/zinc/73/47/62/588734762.db2.gz FSFDMQBREHZWJN-VIFPVBQESA-N 1 2 206.293 1.551 20 30 BDEDLO C(=NOC1CCC1)c1c[nH+]c2n1CCC2 ZINC000853348927 588736747 /nfs/dbraw/zinc/73/67/47/588736747.db2.gz QJXKHXDWHKRUSD-UHFFFAOYSA-N 1 2 205.261 1.732 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cn1nc(C)oc1=O ZINC000853498326 588746415 /nfs/dbraw/zinc/74/64/15/588746415.db2.gz NDKSUIBOCXMGOL-UHFFFAOYSA-N 1 2 239.319 1.780 20 30 BDEDLO C=CCCCCC[N@H+](C)Cn1nc(C)oc1=O ZINC000853498326 588746416 /nfs/dbraw/zinc/74/64/16/588746416.db2.gz NDKSUIBOCXMGOL-UHFFFAOYSA-N 1 2 239.319 1.780 20 30 BDEDLO N#Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)nn1 ZINC000853650886 588752383 /nfs/dbraw/zinc/75/23/83/588752383.db2.gz MVGNLJMSTVEKHR-SECBINFHSA-N 1 2 226.243 1.102 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000854699009 588803150 /nfs/dbraw/zinc/80/31/50/588803150.db2.gz NJUMWWBBIWLDTN-FZMZJTMJSA-N 1 2 245.326 1.364 20 30 BDEDLO C=C(C)CONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000855026472 588820739 /nfs/dbraw/zinc/82/07/39/588820739.db2.gz GDHWUEIFZLLDTI-NXEZZACHSA-N 1 2 235.287 1.148 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000890549437 582471844 /nfs/dbraw/zinc/47/18/44/582471844.db2.gz MTEGGIUBZKTKIP-LLVKDONJSA-N 1 2 233.315 1.692 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000890557548 582477298 /nfs/dbraw/zinc/47/72/98/582477298.db2.gz BCOBGMJDJPZLIW-LBPRGKRZSA-N 1 2 233.315 1.840 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000844006755 582566805 /nfs/dbraw/zinc/56/68/05/582566805.db2.gz ZQWHYPPPUUBRGS-LBPRGKRZSA-N 1 2 245.326 1.225 20 30 BDEDLO C=CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC000855686661 588844985 /nfs/dbraw/zinc/84/49/85/588844985.db2.gz QBNAKGYTXOVGRX-UHFFFAOYSA-N 1 2 249.314 1.194 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000891558489 582696733 /nfs/dbraw/zinc/69/67/33/582696733.db2.gz LLVKQJHOTIKVLL-GFCCVEGCSA-N 1 2 246.314 1.080 20 30 BDEDLO CN1CC[C@H]([N@H+](C)Cc2csc(C#N)c2)C1=O ZINC000892080580 582787309 /nfs/dbraw/zinc/78/73/09/582787309.db2.gz IVHJOVVMMVNKTE-NSHDSACASA-N 1 2 249.339 1.282 20 30 BDEDLO CN1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1=O ZINC000892080580 582787311 /nfs/dbraw/zinc/78/73/11/582787311.db2.gz IVHJOVVMMVNKTE-NSHDSACASA-N 1 2 249.339 1.282 20 30 BDEDLO C#CCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892526360 582906658 /nfs/dbraw/zinc/90/66/58/582906658.db2.gz IQDCYVDNAIVSHJ-JTQLQIEISA-N 1 2 234.303 1.095 20 30 BDEDLO C#CCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892526360 582906659 /nfs/dbraw/zinc/90/66/59/582906659.db2.gz IQDCYVDNAIVSHJ-JTQLQIEISA-N 1 2 234.303 1.095 20 30 BDEDLO C[C@H](NC(=O)C#CC1CC1)c1[nH+]ccn1C ZINC000856280633 588867039 /nfs/dbraw/zinc/86/70/39/588867039.db2.gz VVKDIFRWTNJPRN-VIFPVBQESA-N 1 2 217.272 1.011 20 30 BDEDLO C=CC[C@@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893161629 583059799 /nfs/dbraw/zinc/05/97/99/583059799.db2.gz CSSQDYQRXRWJOG-ZJUUUORDSA-N 1 2 222.288 1.484 20 30 BDEDLO Cc1ccc(CCC=NN(C)C[C@@H](C)O)c[nH+]1 ZINC000841652168 583079830 /nfs/dbraw/zinc/07/98/30/583079830.db2.gz VBEHOZIPOQVZJK-GFCCVEGCSA-N 1 2 235.331 1.621 20 30 BDEDLO C#CCN(C)c1cc(CC)[nH+]c(CC)n1 ZINC000893443766 583144691 /nfs/dbraw/zinc/14/46/91/583144691.db2.gz UQXOUJRROMOUTQ-UHFFFAOYSA-N 1 2 203.289 1.671 20 30 BDEDLO C#C[C@H](C)N(C)c1cc[nH+]c(N(C)[C@@H](C)C#C)n1 ZINC000893527902 583157911 /nfs/dbraw/zinc/15/79/11/583157911.db2.gz RGXVMNQCIIJWIA-RYUDHWBXSA-N 1 2 242.326 1.392 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccnn1C1CCC1 ZINC000893544059 583160156 /nfs/dbraw/zinc/16/01/56/583160156.db2.gz IYVPZBXHRJCYIS-SNVBAGLBSA-N 1 2 218.304 1.857 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000893545961 583161420 /nfs/dbraw/zinc/16/14/20/583161420.db2.gz YZNZCTOEZCMIAL-LLVKDONJSA-N 1 2 232.331 1.932 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(OC)c1F)C1CC1 ZINC000893612924 583173435 /nfs/dbraw/zinc/17/34/35/583173435.db2.gz VRNOZJLENNHDFB-UHFFFAOYSA-N 1 2 234.274 1.827 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(OC)c1F)C1CC1 ZINC000893612924 583173438 /nfs/dbraw/zinc/17/34/38/583173438.db2.gz VRNOZJLENNHDFB-UHFFFAOYSA-N 1 2 234.274 1.827 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cn(C)nc1Cl ZINC000857038662 588883413 /nfs/dbraw/zinc/88/34/13/588883413.db2.gz BEKJQPOYMNXROG-ZETCQYMHSA-N 1 2 212.684 1.323 20 30 BDEDLO Cc1nn(C)c(C[NH2+]CCC#N)c1Cl ZINC000894081737 583294702 /nfs/dbraw/zinc/29/47/02/583294702.db2.gz BGKQJHMJTWMFSW-UHFFFAOYSA-N 1 2 212.684 1.385 20 30 BDEDLO CCOc1cncc(C=NNc2[nH+]ccn2C)c1 ZINC000857210180 588893180 /nfs/dbraw/zinc/89/31/80/588893180.db2.gz WLMRHYLTXAFRPJ-UHFFFAOYSA-N 1 2 245.286 1.660 20 30 BDEDLO CC[C@H](NC(=O)c1coc(C#N)c1)c1[nH]cc[nH+]1 ZINC000867459039 583352898 /nfs/dbraw/zinc/35/28/98/583352898.db2.gz QBRHBRPRQAEBFW-JTQLQIEISA-N 1 2 244.254 1.755 20 30 BDEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000857280682 588902568 /nfs/dbraw/zinc/90/25/68/588902568.db2.gz NJAXCZHCEKCVRW-WDEREUQCSA-N 1 2 249.314 1.119 20 30 BDEDLO C#CC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894350161 583432887 /nfs/dbraw/zinc/43/28/87/583432887.db2.gz RLCAUQCXEWESEO-LBPRGKRZSA-N 1 2 240.310 1.969 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894384788 583442437 /nfs/dbraw/zinc/44/24/37/583442437.db2.gz VWXFEBHCWUZXOB-SSDOTTSWSA-N 1 2 207.302 1.527 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000894737506 583514664 /nfs/dbraw/zinc/51/46/64/583514664.db2.gz AIFMGCXUIVHCLN-ZETCQYMHSA-N 1 2 224.285 1.041 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894829111 583527248 /nfs/dbraw/zinc/52/72/48/583527248.db2.gz XBNQJNUTFWGLQH-NWDGAFQWSA-N 1 2 248.326 1.975 20 30 BDEDLO C=C1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000895078472 583581578 /nfs/dbraw/zinc/58/15/78/583581578.db2.gz VVVVSAGPIUFPRW-NSHDSACASA-N 1 2 246.314 1.690 20 30 BDEDLO C#CC[C@H]1CCN(c2cccc([C@@H](C)O)[nH+]2)C1 ZINC000895192057 583621715 /nfs/dbraw/zinc/62/17/15/583621715.db2.gz WYINVWSQJGSVDH-NEPJUHHUSA-N 1 2 230.311 1.985 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2[nH+]ccn2C)o1 ZINC000727255095 583625035 /nfs/dbraw/zinc/62/50/35/583625035.db2.gz IVHMFBXMONHQDW-UHFFFAOYSA-N 1 2 230.231 1.034 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1ncccc1Cl ZINC000727255049 583625140 /nfs/dbraw/zinc/62/51/40/583625140.db2.gz IEFUXIGJAARZSK-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO Cc1noc2ncc(C[NH+]3CC(CC#N)C3)cc12 ZINC000895253991 583633898 /nfs/dbraw/zinc/63/38/98/583633898.db2.gz NFJVVKOENUXLBN-UHFFFAOYSA-N 1 2 242.282 1.877 20 30 BDEDLO N#CCC1C[NH+](Cc2cnn(CCF)c2)C1 ZINC000895343596 583654954 /nfs/dbraw/zinc/65/49/54/583654954.db2.gz GELCODVVGAOTIO-UHFFFAOYSA-N 1 2 222.267 1.198 20 30 BDEDLO COc1ccc(C[NH+]2CC(CC#N)C2)nc1 ZINC000895342964 583654944 /nfs/dbraw/zinc/65/49/44/583654944.db2.gz CIHXTNCENLIIRS-UHFFFAOYSA-N 1 2 217.272 1.436 20 30 BDEDLO C#CC[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895391569 583664001 /nfs/dbraw/zinc/66/40/01/583664001.db2.gz ZMESGKWHLIHAIA-GFCCVEGCSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC[C@@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895391569 583664003 /nfs/dbraw/zinc/66/40/03/583664003.db2.gz ZMESGKWHLIHAIA-GFCCVEGCSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000857922352 588924354 /nfs/dbraw/zinc/92/43/54/588924354.db2.gz HXDOHVCCSRNNSY-JTQLQIEISA-N 1 2 214.268 1.462 20 30 BDEDLO C#CC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000857922352 588924356 /nfs/dbraw/zinc/92/43/56/588924356.db2.gz HXDOHVCCSRNNSY-JTQLQIEISA-N 1 2 214.268 1.462 20 30 BDEDLO C#CC[N@H+](Cc1cccc(C#N)n1)C1CSC1 ZINC000895814206 583733667 /nfs/dbraw/zinc/73/36/67/583733667.db2.gz OLKUFVIRCKBASU-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C#CC[N@@H+](Cc1cccc(C#N)n1)C1CSC1 ZINC000895814206 583733668 /nfs/dbraw/zinc/73/36/68/583733668.db2.gz OLKUFVIRCKBASU-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C#CC[N@H+](Cc1cncnc1)C1CSC1 ZINC000895814458 583734000 /nfs/dbraw/zinc/73/40/00/583734000.db2.gz RMQJSHAPZSUZJD-UHFFFAOYSA-N 1 2 219.313 1.027 20 30 BDEDLO C#CC[N@@H+](Cc1cncnc1)C1CSC1 ZINC000895814458 583734001 /nfs/dbraw/zinc/73/40/01/583734001.db2.gz RMQJSHAPZSUZJD-UHFFFAOYSA-N 1 2 219.313 1.027 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(CO)o1)C1CSC1 ZINC000895814100 583734256 /nfs/dbraw/zinc/73/42/56/583734256.db2.gz LZCQAFVDHVTWLI-UHFFFAOYSA-N 1 2 237.324 1.323 20 30 BDEDLO C#CC[N@H+](Cc1ccc(CO)o1)C1CSC1 ZINC000895814100 583734258 /nfs/dbraw/zinc/73/42/58/583734258.db2.gz LZCQAFVDHVTWLI-UHFFFAOYSA-N 1 2 237.324 1.323 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977896 588926787 /nfs/dbraw/zinc/92/67/87/588926787.db2.gz IXQGHEHOJJCMQR-SKDRFNHKSA-N 1 2 232.287 1.384 20 30 BDEDLO C#CCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981253 588928225 /nfs/dbraw/zinc/92/82/25/588928225.db2.gz YNYCAYKIHBSLGX-LLVKDONJSA-N 1 2 231.299 1.638 20 30 BDEDLO N#CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCC1 ZINC000857992395 588930206 /nfs/dbraw/zinc/93/02/06/588930206.db2.gz XBVYBDDAYGZZJE-SNVBAGLBSA-N 1 2 244.298 1.528 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H](C)C#N)CCN2 ZINC000857997327 588930388 /nfs/dbraw/zinc/93/03/88/588930388.db2.gz KDXDBGHXPLHULM-VIFPVBQESA-N 1 2 230.271 1.308 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN1CCC[C@H](C#N)C1 ZINC000896500737 583806904 /nfs/dbraw/zinc/80/69/04/583806904.db2.gz JONZQUBSADHFBT-LLVKDONJSA-N 1 2 230.315 1.708 20 30 BDEDLO C#CC1(O)CCN(c2cc[nH+]c(CC)n2)CC1 ZINC000896766230 583831893 /nfs/dbraw/zinc/83/18/93/583831893.db2.gz YMAJGXDYJVODSW-UHFFFAOYSA-N 1 2 231.299 1.004 20 30 BDEDLO Cc1[nH]c(CNC(=O)C2(C#N)CCC2)[nH+]c1C ZINC000896919612 583855838 /nfs/dbraw/zinc/85/58/38/583855838.db2.gz UVODPTUQYVVNNJ-UHFFFAOYSA-N 1 2 232.287 1.337 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000897166012 583886555 /nfs/dbraw/zinc/88/65/55/583886555.db2.gz GZANPYJTTLTJEM-UHFFFAOYSA-N 1 2 239.282 1.056 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000897166012 583886557 /nfs/dbraw/zinc/88/65/57/583886557.db2.gz GZANPYJTTLTJEM-UHFFFAOYSA-N 1 2 239.282 1.056 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(OC)cnc1F ZINC000897169075 583888494 /nfs/dbraw/zinc/88/84/94/583888494.db2.gz LKWMXNNASFBYOY-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(OC)cnc1F ZINC000897169075 583888496 /nfs/dbraw/zinc/88/84/96/583888496.db2.gz LKWMXNNASFBYOY-UHFFFAOYSA-N 1 2 222.263 1.684 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CCC)nn1)C(C)C ZINC000897171411 583889151 /nfs/dbraw/zinc/88/91/51/583889151.db2.gz YMBIJWJSYZRWQG-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO C#CC[N@H+](Cc1cn(CCC)nn1)C(C)C ZINC000897171411 583889153 /nfs/dbraw/zinc/88/91/53/583889153.db2.gz YMBIJWJSYZRWQG-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO N#CCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728928221 583937151 /nfs/dbraw/zinc/93/71/51/583937151.db2.gz QOKBYOUIKZVTLV-SNVBAGLBSA-N 1 2 210.277 1.127 20 30 BDEDLO N#CCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728928221 583937154 /nfs/dbraw/zinc/93/71/54/583937154.db2.gz QOKBYOUIKZVTLV-SNVBAGLBSA-N 1 2 210.277 1.127 20 30 BDEDLO C#CC1(O)C[NH+](Cc2cccc(CC)c2O)C1 ZINC000898144137 584086533 /nfs/dbraw/zinc/08/65/33/584086533.db2.gz CBCIHWMXEJZMER-UHFFFAOYSA-N 1 2 231.295 1.135 20 30 BDEDLO C#CC1(O)CN(Cc2[nH+]ccc3c2CCCC3)C1 ZINC000898147298 584087226 /nfs/dbraw/zinc/08/72/26/584087226.db2.gz OAAYKXZHESJKJF-UHFFFAOYSA-N 1 2 242.322 1.140 20 30 BDEDLO CC(C)(C#N)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898488356 584139788 /nfs/dbraw/zinc/13/97/88/584139788.db2.gz GJSXLKXLRNCOAF-JTQLQIEISA-N 1 2 241.310 1.086 20 30 BDEDLO CC(C)(C#N)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898488356 584139790 /nfs/dbraw/zinc/13/97/90/584139790.db2.gz GJSXLKXLRNCOAF-JTQLQIEISA-N 1 2 241.310 1.086 20 30 BDEDLO C=C(C)CN(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898615177 584147369 /nfs/dbraw/zinc/14/73/69/584147369.db2.gz CEHFPISXRANWSC-UHFFFAOYSA-N 1 2 222.292 1.138 20 30 BDEDLO C#C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)C(C)(C)C ZINC000898619352 584148036 /nfs/dbraw/zinc/14/80/36/584148036.db2.gz DXTDAQUMNVSYMN-LLVKDONJSA-N 1 2 248.330 1.267 20 30 BDEDLO C#CC[C@@H]1C(=O)N(CCCn2cc[nH+]c2)N=C1C ZINC000899356653 584202593 /nfs/dbraw/zinc/20/25/93/584202593.db2.gz OVIUELBNTKPDOR-LBPRGKRZSA-N 1 2 244.298 1.131 20 30 BDEDLO CCn1c[nH+]c(/C=C2/C(=O)c3nccn3[C@@H]2C)c1 ZINC000899392226 584210950 /nfs/dbraw/zinc/21/09/50/584210950.db2.gz OXBXRNBSMOYLAM-VKRGWIQLSA-N 1 2 242.282 1.940 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000899900011 584248338 /nfs/dbraw/zinc/24/83/38/584248338.db2.gz GBDPUNLRPZBSHU-ZDUSSCGKSA-N 1 2 221.275 1.601 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000899900868 584249473 /nfs/dbraw/zinc/24/94/73/584249473.db2.gz XERKOXNYSUEODR-AWEZNQCLSA-N 1 2 247.338 1.915 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000899901406 584250329 /nfs/dbraw/zinc/25/03/29/584250329.db2.gz KDTLHJRFAGUJEJ-CYBMUJFWSA-N 1 2 233.311 1.607 20 30 BDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900737772 584347436 /nfs/dbraw/zinc/34/74/36/584347436.db2.gz ZFTAYECVOYDHGB-ZWNOBZJWSA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900737772 584347437 /nfs/dbraw/zinc/34/74/37/584347437.db2.gz ZFTAYECVOYDHGB-ZWNOBZJWSA-N 1 2 246.314 1.541 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cccc[nH+]1 ZINC000858857152 588977794 /nfs/dbraw/zinc/97/77/94/588977794.db2.gz ZJDWIIHMBRXJIZ-NSHDSACASA-N 1 2 204.273 1.922 20 30 BDEDLO COCC(C)(C)C=[NH+]n1nnc2c1CCCC2 ZINC000901331034 584425167 /nfs/dbraw/zinc/42/51/67/584425167.db2.gz IISHNLHQYKNJSG-UHFFFAOYSA-N 1 2 236.319 1.663 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)C1CCOCC1 ZINC000901331944 584425234 /nfs/dbraw/zinc/42/52/34/584425234.db2.gz YFCJRIQMSDXFRV-UHFFFAOYSA-N 1 2 234.303 1.417 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@H]1CCOC1 ZINC000901333684 584425977 /nfs/dbraw/zinc/42/59/77/584425977.db2.gz KFOCLVAVQSWICP-SECBINFHSA-N 1 2 220.276 1.027 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@]1(C)CCCCO1)C(=O)OC ZINC000901606904 584468905 /nfs/dbraw/zinc/46/89/05/584468905.db2.gz YACFIJIKXVRGLO-WCQYABFASA-N 1 2 241.331 1.653 20 30 BDEDLO C#CCCO[NH+]=C(N)Cc1ccccc1F ZINC000902623826 584640328 /nfs/dbraw/zinc/64/03/28/584640328.db2.gz YEEWXSOHFYAJSV-UHFFFAOYSA-N 1 2 220.247 1.890 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)cs1)CN1CCC1=O ZINC000902621463 584645435 /nfs/dbraw/zinc/64/54/35/584645435.db2.gz JXKYXVHQJVZHOX-UHFFFAOYSA-N 1 2 235.312 1.241 20 30 BDEDLO C[N@H+](Cc1cc(C#N)cs1)CN1CCC1=O ZINC000902621463 584645437 /nfs/dbraw/zinc/64/54/37/584645437.db2.gz JXKYXVHQJVZHOX-UHFFFAOYSA-N 1 2 235.312 1.241 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903002778 584716329 /nfs/dbraw/zinc/71/63/29/584716329.db2.gz HGHCTVPIBXQMKK-LBPRGKRZSA-N 1 2 240.322 1.621 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903002778 584716331 /nfs/dbraw/zinc/71/63/31/584716331.db2.gz HGHCTVPIBXQMKK-LBPRGKRZSA-N 1 2 240.322 1.621 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020219 584720775 /nfs/dbraw/zinc/72/07/75/584720775.db2.gz WOIVIIIRJFBURC-JTQLQIEISA-N 1 2 238.722 1.715 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020219 584720776 /nfs/dbraw/zinc/72/07/76/584720776.db2.gz WOIVIIIRJFBURC-JTQLQIEISA-N 1 2 238.722 1.715 20 30 BDEDLO C=CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831732235 584910923 /nfs/dbraw/zinc/91/09/23/584910923.db2.gz FGRONYVTKFMSRQ-SNVBAGLBSA-N 1 2 221.304 1.813 20 30 BDEDLO C#CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000753958259 584911558 /nfs/dbraw/zinc/91/15/58/584911558.db2.gz JPVPVTFFAXPLRO-UHFFFAOYSA-N 1 2 244.294 1.091 20 30 BDEDLO O=C1c2ccccc2C(=O)C1=Cc1[nH]cc[nH+]1 ZINC000731155464 584922873 /nfs/dbraw/zinc/92/28/73/584922873.db2.gz HIOMXPGGLNWAEU-UHFFFAOYSA-N 1 2 224.219 1.872 20 30 BDEDLO C=CCC(CC=C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109395 585023795 /nfs/dbraw/zinc/02/37/95/585023795.db2.gz AARSTEZOHQPTOS-UHFFFAOYSA-N 1 2 233.315 1.805 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCCC12CCC2)C(=O)OC ZINC000839167520 585095218 /nfs/dbraw/zinc/09/52/18/585095218.db2.gz FSKYVLZUDNHFIK-NWDGAFQWSA-N 1 2 235.327 1.864 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C(=O)OC ZINC000839167484 585095294 /nfs/dbraw/zinc/09/52/94/585095294.db2.gz FCZSGTWGCBOIFF-NWDGAFQWSA-N 1 2 225.332 1.966 20 30 BDEDLO C#CC[C@H]([NH2+]CC1(C)CCC1)C(=O)OC ZINC000839168672 585095733 /nfs/dbraw/zinc/09/57/33/585095733.db2.gz MTMTXVHNIHJJBE-JTQLQIEISA-N 1 2 209.289 1.331 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000839169608 585095997 /nfs/dbraw/zinc/09/59/97/585095997.db2.gz UDQKMUCYTOATAF-AVGNSLFASA-N 1 2 237.343 1.967 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1cccs1 ZINC000839196983 585098746 /nfs/dbraw/zinc/09/87/46/585098746.db2.gz XJXIFTLWDDZBRD-NSHDSACASA-N 1 2 221.325 1.625 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1cccs1 ZINC000839196983 585098747 /nfs/dbraw/zinc/09/87/47/585098747.db2.gz XJXIFTLWDDZBRD-NSHDSACASA-N 1 2 221.325 1.625 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1cccs1 ZINC000839196981 585098926 /nfs/dbraw/zinc/09/89/26/585098926.db2.gz XJXIFTLWDDZBRD-LLVKDONJSA-N 1 2 221.325 1.625 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1cccs1 ZINC000839196981 585098927 /nfs/dbraw/zinc/09/89/27/585098927.db2.gz XJXIFTLWDDZBRD-LLVKDONJSA-N 1 2 221.325 1.625 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccccn2)no1 ZINC000746456665 585168381 /nfs/dbraw/zinc/16/83/81/585168381.db2.gz DNVICXPABCBIIW-UHFFFAOYSA-N 1 2 242.282 1.587 20 30 BDEDLO C#CC[N@H+](CC)Cc1nc(-c2ccccn2)no1 ZINC000746456665 585168382 /nfs/dbraw/zinc/16/83/82/585168382.db2.gz DNVICXPABCBIIW-UHFFFAOYSA-N 1 2 242.282 1.587 20 30 BDEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)CC[N@@H+]1C ZINC000748351513 585191547 /nfs/dbraw/zinc/19/15/47/585191547.db2.gz WFTPEDDQDZQJEM-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)CC[N@H+]1C ZINC000748351513 585191548 /nfs/dbraw/zinc/19/15/48/585191548.db2.gz WFTPEDDQDZQJEM-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C#Cc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000748404635 585192472 /nfs/dbraw/zinc/19/24/72/585192472.db2.gz BLTWNBNYJSAFNE-UHFFFAOYSA-N 1 2 240.266 1.024 20 30 BDEDLO C#CCN(CC)C(=O)CCCn1cc[nH+]c1 ZINC000748630508 585194555 /nfs/dbraw/zinc/19/45/55/585194555.db2.gz MQWBQYVLOIZHDA-UHFFFAOYSA-N 1 2 219.288 1.145 20 30 BDEDLO Cn1c[nH+]cc1CON=C(N)c1cccs1 ZINC000753117825 585253781 /nfs/dbraw/zinc/25/37/81/585253781.db2.gz LPQHQOWILMYULF-UHFFFAOYSA-N 1 2 236.300 1.319 20 30 BDEDLO C1CCC(N=NC2=[NH+][C@H]3CCCC[C@H]3N2)C1 ZINC000753931582 585272137 /nfs/dbraw/zinc/27/21/37/585272137.db2.gz ZZQLFYUJZVNMBW-PHIMTYICSA-N 1 2 220.320 1.776 20 30 BDEDLO CCC(COC)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934383 585272179 /nfs/dbraw/zinc/27/21/79/585272179.db2.gz IDVHWZYFFNJELT-QWRGUYRKSA-N 1 2 238.335 1.259 20 30 BDEDLO CO[C@H](C)C(C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753937005 585272494 /nfs/dbraw/zinc/27/24/94/585272494.db2.gz XWKBPAMOLFKNFU-GMTAPVOTSA-N 1 2 238.335 1.257 20 30 BDEDLO C#CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000753953167 585272967 /nfs/dbraw/zinc/27/29/67/585272967.db2.gz YMBLSONOBJMSMX-UHFFFAOYSA-N 1 2 237.328 1.557 20 30 BDEDLO C#CC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000753969492 585273994 /nfs/dbraw/zinc/27/39/94/585273994.db2.gz ANMWRAHBBKDBDH-UHFFFAOYSA-N 1 2 243.310 1.321 20 30 BDEDLO C=CCOCCCC(=O)OCc1c[nH+]cn1C ZINC000754686194 585289309 /nfs/dbraw/zinc/28/93/09/585289309.db2.gz ZGZSJTOCJBFLGB-UHFFFAOYSA-N 1 2 238.287 1.446 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1ccccn1 ZINC000755519379 585301217 /nfs/dbraw/zinc/30/12/17/585301217.db2.gz KNMIFHAYBHGSSA-UHFFFAOYSA-N 1 2 215.260 1.744 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1ccc(Cl)nc1 ZINC000755753594 585305643 /nfs/dbraw/zinc/30/56/43/585305643.db2.gz LQDVIBQVJZSTAS-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO COc1cc(C)nc(N=NCc2[nH]c[nH+]c2C)n1 ZINC000755753314 585305665 /nfs/dbraw/zinc/30/56/65/585305665.db2.gz ONGJEJRYGAPVMB-UHFFFAOYSA-N 1 2 246.274 1.271 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NOCC(F)(F)F ZINC000755799614 585307232 /nfs/dbraw/zinc/30/72/32/585307232.db2.gz YZGYUYZBMBPOCW-UHFFFAOYSA-N 1 2 207.155 1.631 20 30 BDEDLO C=C(Cl)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000839606041 585331827 /nfs/dbraw/zinc/33/18/27/585331827.db2.gz ZLPKUDDDJQDMBF-GFCCVEGCSA-N 1 2 241.718 1.942 20 30 BDEDLO C#CCNC(=O)C[N@@H+](CC)Cc1occc1C ZINC000839660937 585334345 /nfs/dbraw/zinc/33/43/45/585334345.db2.gz IBRULAXCOGWXHD-UHFFFAOYSA-N 1 2 234.299 1.159 20 30 BDEDLO C#CCNC(=O)C[N@H+](CC)Cc1occc1C ZINC000839660937 585334346 /nfs/dbraw/zinc/33/43/46/585334346.db2.gz IBRULAXCOGWXHD-UHFFFAOYSA-N 1 2 234.299 1.159 20 30 BDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCF)CC1 ZINC000759349293 585370787 /nfs/dbraw/zinc/37/07/87/585370787.db2.gz YQOSSLGKUIMQMI-LLVKDONJSA-N 1 2 213.300 1.122 20 30 BDEDLO C#CCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000760261372 585388098 /nfs/dbraw/zinc/38/80/98/585388098.db2.gz KQJNMDYWIGFSDR-ZDUSSCGKSA-N 1 2 245.326 1.850 20 30 BDEDLO C#CCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000760843802 585399057 /nfs/dbraw/zinc/39/90/57/585399057.db2.gz PISMZUOHQIEHLM-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000760843802 585399058 /nfs/dbraw/zinc/39/90/58/585399058.db2.gz PISMZUOHQIEHLM-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000760843795 585399180 /nfs/dbraw/zinc/39/91/80/585399180.db2.gz PISMZUOHQIEHLM-BDAKNGLRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000760843795 585399181 /nfs/dbraw/zinc/39/91/81/585399181.db2.gz PISMZUOHQIEHLM-BDAKNGLRSA-N 1 2 221.222 1.661 20 30 BDEDLO CN1CCC(=[NH+]n2cnc3ccccc32)C1=O ZINC000761786398 585418656 /nfs/dbraw/zinc/41/86/56/585418656.db2.gz ONNXOSXXXLSDPR-UHFFFAOYSA-N 1 2 228.255 1.103 20 30 BDEDLO CC(C)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761833641 585419825 /nfs/dbraw/zinc/41/98/25/585419825.db2.gz BZIQZCZBWUSUKC-UHFFFAOYSA-N 1 2 230.275 1.716 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C)n(C)n1)C1CC1 ZINC000763955241 585457877 /nfs/dbraw/zinc/45/78/77/585457877.db2.gz KTDQSSVXCFQPNO-UHFFFAOYSA-N 1 2 203.289 1.326 20 30 BDEDLO C#CC[N@H+](Cc1cc(C)n(C)n1)C1CC1 ZINC000763955241 585457878 /nfs/dbraw/zinc/45/78/78/585457878.db2.gz KTDQSSVXCFQPNO-UHFFFAOYSA-N 1 2 203.289 1.326 20 30 BDEDLO CC#CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000764459397 585466097 /nfs/dbraw/zinc/46/60/97/585466097.db2.gz GOQKQXDBVJJRHB-UHFFFAOYSA-N 1 2 217.272 1.070 20 30 BDEDLO c1c[nH+]c(CN=Nc2ncnc3ccsc32)[nH]1 ZINC000764834815 585475344 /nfs/dbraw/zinc/47/53/44/585475344.db2.gz HKNZSBSLYNHBHE-UHFFFAOYSA-N 1 2 244.283 1.860 20 30 BDEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)NCCC#N ZINC000768735445 585542357 /nfs/dbraw/zinc/54/23/57/585542357.db2.gz UKIIZTCVPDHIIM-LLVKDONJSA-N 1 2 246.314 1.104 20 30 BDEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)NCCC#N ZINC000768735445 585542358 /nfs/dbraw/zinc/54/23/58/585542358.db2.gz UKIIZTCVPDHIIM-LLVKDONJSA-N 1 2 246.314 1.104 20 30 BDEDLO CC(=NN1CC[NH+](C)CC1)C1SC=CC1=O ZINC000769766109 585563146 /nfs/dbraw/zinc/56/31/46/585563146.db2.gz KQOPPKOAIZHOPY-UHFFFAOYSA-N 1 2 239.344 1.425 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000769975708 585567992 /nfs/dbraw/zinc/56/79/92/585567992.db2.gz IYGNUOZTXVSRAS-JTQLQIEISA-N 1 2 242.282 1.585 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000769975708 585567993 /nfs/dbraw/zinc/56/79/93/585567993.db2.gz IYGNUOZTXVSRAS-JTQLQIEISA-N 1 2 242.282 1.585 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000769977511 585568355 /nfs/dbraw/zinc/56/83/55/585568355.db2.gz GYPPJMOSOPCQTB-SNVBAGLBSA-N 1 2 218.300 1.768 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000769977511 585568356 /nfs/dbraw/zinc/56/83/56/585568356.db2.gz GYPPJMOSOPCQTB-SNVBAGLBSA-N 1 2 218.300 1.768 20 30 BDEDLO CCCNN=Cc1cccc2[nH+]ccn21 ZINC000771098664 585590285 /nfs/dbraw/zinc/59/02/85/585590285.db2.gz SRDFMXKIQDXJMI-UHFFFAOYSA-N 1 2 202.261 1.668 20 30 BDEDLO c1cn2c(cccc2CN=Nc2ncccn2)[nH+]1 ZINC000771097670 585590405 /nfs/dbraw/zinc/59/04/05/585590405.db2.gz OEEACZKRMJYJEK-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO C#CCCO[NH+]=C(N)Cc1cccnc1 ZINC000771673320 585598957 /nfs/dbraw/zinc/59/89/57/585598957.db2.gz GZYHNXMCGPIQRE-UHFFFAOYSA-N 1 2 203.245 1.146 20 30 BDEDLO C=CCOCCCC(=O)OCCn1cc[nH+]c1 ZINC000771981972 585606135 /nfs/dbraw/zinc/60/61/35/585606135.db2.gz WPAXHMIJSUNQRX-UHFFFAOYSA-N 1 2 238.287 1.409 20 30 BDEDLO N#Cc1ccc(C(=O)OCCn2cc[nH+]c2)s1 ZINC000771995327 585606404 /nfs/dbraw/zinc/60/64/04/585606404.db2.gz RHAAADHDCVDXLN-UHFFFAOYSA-N 1 2 247.279 1.673 20 30 BDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC#N ZINC000772352024 585613092 /nfs/dbraw/zinc/61/30/92/585613092.db2.gz WQHPPLZIHFPORD-JTQLQIEISA-N 1 2 234.303 1.328 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccn1CC)[C@H]1CCCO1 ZINC000775343879 585676219 /nfs/dbraw/zinc/67/62/19/585676219.db2.gz ZBAHYPCFPNDXAH-NWDGAFQWSA-N 1 2 233.315 1.173 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1coc(C2CC2)n1)[C@H]1CCCO1 ZINC000775343850 585676340 /nfs/dbraw/zinc/67/63/40/585676340.db2.gz YNDGRVCMGXGLRC-CHWSQXEVSA-N 1 2 246.310 1.822 20 30 BDEDLO COCC#CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000775680140 585682949 /nfs/dbraw/zinc/68/29/49/585682949.db2.gz AEOWQYWOZXMSHT-LLVKDONJSA-N 1 2 242.319 1.196 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccn(C(C)C)n1)[C@@H]1CCCO1 ZINC000775787904 585684680 /nfs/dbraw/zinc/68/46/80/585684680.db2.gz BOFJHEYKUGMWIC-KGLIPLIRSA-N 1 2 247.342 1.734 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(C)o1)[C@H]1CCCO1 ZINC000775801956 585685416 /nfs/dbraw/zinc/68/54/16/585685416.db2.gz ZYHFZEFFFQQSIV-DVVUODLYSA-N 1 2 235.287 1.209 20 30 BDEDLO C#CC(C)(C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000776305752 585695255 /nfs/dbraw/zinc/69/52/55/585695255.db2.gz OWBNLZAKYGERDK-UHFFFAOYSA-N 1 2 217.272 1.345 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000777541774 585714583 /nfs/dbraw/zinc/71/45/83/585714583.db2.gz ROLTXQSALYBQGR-LBPRGKRZSA-N 1 2 224.304 1.237 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000777541774 585714584 /nfs/dbraw/zinc/71/45/84/585714584.db2.gz ROLTXQSALYBQGR-LBPRGKRZSA-N 1 2 224.304 1.237 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000778162539 585726868 /nfs/dbraw/zinc/72/68/68/585726868.db2.gz UQSXVHYGIKRMKZ-UHFFFAOYSA-N 1 2 242.326 1.944 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000778162539 585726869 /nfs/dbraw/zinc/72/68/69/585726869.db2.gz UQSXVHYGIKRMKZ-UHFFFAOYSA-N 1 2 242.326 1.944 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)CN1CCCC1=O ZINC000778585861 585737777 /nfs/dbraw/zinc/73/77/77/585737777.db2.gz VTNILLNEEAEQPX-UHFFFAOYSA-N 1 2 248.326 1.890 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)CN1CCCC1=O ZINC000778585861 585737778 /nfs/dbraw/zinc/73/77/78/585737778.db2.gz VTNILLNEEAEQPX-UHFFFAOYSA-N 1 2 248.326 1.890 20 30 BDEDLO C#CCCCCCC(=O)NCCn1cc[nH+]c1 ZINC000779742859 585760522 /nfs/dbraw/zinc/76/05/22/585760522.db2.gz MJRIIICUYNHLRJ-UHFFFAOYSA-N 1 2 233.315 1.583 20 30 BDEDLO CC1(C#N)CC[NH+](CN2CCSC2=O)CC1 ZINC000779878578 585769403 /nfs/dbraw/zinc/76/94/03/585769403.db2.gz BHYSWRMUWXVKHV-UHFFFAOYSA-N 1 2 239.344 1.738 20 30 BDEDLO C#CCCCCCC(=O)Nc1cc[nH+]cc1O ZINC000780495442 585779449 /nfs/dbraw/zinc/77/94/49/585779449.db2.gz NZIAYMBZROYNDK-UHFFFAOYSA-N 1 2 232.283 1.731 20 30 BDEDLO Cc1cc(Nc2cnn(CC#N)c2)nc(C)[nH+]1 ZINC000780536816 585780286 /nfs/dbraw/zinc/78/02/86/585780286.db2.gz WYDWTIFHEDWIRJ-UHFFFAOYSA-N 1 2 228.259 1.557 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(C)=C(/C)CC)CC1 ZINC000780941752 585786769 /nfs/dbraw/zinc/78/67/69/585786769.db2.gz ZZSKPGNKONURLF-SEYXRHQNSA-N 1 2 234.343 1.510 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000781189113 585792832 /nfs/dbraw/zinc/79/28/32/585792832.db2.gz WWCCVGJNXGSNLY-MNOVXSKESA-N 1 2 224.304 1.706 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000781189113 585792833 /nfs/dbraw/zinc/79/28/33/585792833.db2.gz WWCCVGJNXGSNLY-MNOVXSKESA-N 1 2 224.304 1.706 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000781613881 585800688 /nfs/dbraw/zinc/80/06/88/585800688.db2.gz GYTXNCILZPKXSR-ZDUSSCGKSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783645037 585839107 /nfs/dbraw/zinc/83/91/07/585839107.db2.gz LOZOHRSKWPYDFS-UHFFFAOYSA-N 1 2 245.326 1.535 20 30 BDEDLO C#CCNC(=S)Nc1cc(N(C)C)cc[nH+]1 ZINC000783762709 585842276 /nfs/dbraw/zinc/84/22/76/585842276.db2.gz MLFFRYMVNCFPCL-UHFFFAOYSA-N 1 2 234.328 1.067 20 30 BDEDLO C(=Nn1cnnc1)c1cc(-n2cc[nH+]c2)cs1 ZINC000783772907 585842881 /nfs/dbraw/zinc/84/28/81/585842881.db2.gz UBVAMIPGMQLYQF-UHFFFAOYSA-N 1 2 244.283 1.408 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000784049393 585848156 /nfs/dbraw/zinc/84/81/56/585848156.db2.gz DVNBGDUAFMDJNX-JTQLQIEISA-N 1 2 247.298 1.786 20 30 BDEDLO Cc1cc(N2CCC[C@@](C)(C#N)C2)nc(N)[nH+]1 ZINC000784205911 585852920 /nfs/dbraw/zinc/85/29/20/585852920.db2.gz QVTNBAMJKZGCRE-LBPRGKRZSA-N 1 2 231.303 1.497 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nonc1C ZINC000785997710 585885009 /nfs/dbraw/zinc/88/50/09/585885009.db2.gz QVWQBADTNRWOTO-JTQLQIEISA-N 1 2 207.277 1.919 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nonc1C ZINC000785997710 585885010 /nfs/dbraw/zinc/88/50/10/585885010.db2.gz QVWQBADTNRWOTO-JTQLQIEISA-N 1 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BDEDLO C#CC[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000792298848 585999347 /nfs/dbraw/zinc/99/93/47/585999347.db2.gz VGLVTNYSARHRDD-UHFFFAOYSA-N 1 2 246.339 1.609 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000792301232 585999416 /nfs/dbraw/zinc/99/94/16/585999416.db2.gz FJMSQSYESISQNA-UHFFFAOYSA-N 1 2 228.255 1.197 20 30 BDEDLO C#CC[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000792301232 585999417 /nfs/dbraw/zinc/99/94/17/585999417.db2.gz FJMSQSYESISQNA-UHFFFAOYSA-N 1 2 228.255 1.197 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)c1c[nH]c(C#N)c1 ZINC000793256860 586015404 /nfs/dbraw/zinc/01/54/04/586015404.db2.gz DTMUUMMEDHFBFN-UHFFFAOYSA-N 1 2 244.254 1.019 20 30 BDEDLO C#CCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000793500035 586021188 /nfs/dbraw/zinc/02/11/88/586021188.db2.gz BTRDPBLRUWWNNF-UHFFFAOYSA-N 1 2 241.294 1.635 20 30 BDEDLO COc1ccc(N=NCc2cn(C)c[nH+]2)nc1 ZINC000794537114 586042654 /nfs/dbraw/zinc/04/26/54/586042654.db2.gz VLZMOZMRBJUHJO-UHFFFAOYSA-N 1 2 231.259 1.270 20 30 BDEDLO Cn1cc2c(n1)CCCC2=NNc1[nH+]ccn1C ZINC000794541868 586042898 /nfs/dbraw/zinc/04/28/98/586042898.db2.gz VDDWJRFACYNFNJ-UHFFFAOYSA-N 1 2 244.302 1.306 20 30 BDEDLO COCCN(C)N=C(C)c1cn(C)c(C)[nH+]1 ZINC000794964021 586058513 /nfs/dbraw/zinc/05/85/13/586058513.db2.gz VJPVCUDVQWUVIR-UHFFFAOYSA-N 1 2 224.308 1.031 20 30 BDEDLO CC(N=Nc1ncccc1F)c1[nH]cc[nH+]1 ZINC000794989922 586062040 /nfs/dbraw/zinc/06/20/40/586062040.db2.gz JMLOVWRNPIATIL-UHFFFAOYSA-N 1 2 219.223 1.780 20 30 BDEDLO COCCCON=C(C)c1cn(C)c(C)[nH+]1 ZINC000795045962 586067179 /nfs/dbraw/zinc/06/71/79/586067179.db2.gz YPFPACNPMKZPDZ-UHFFFAOYSA-N 1 2 225.292 1.506 20 30 BDEDLO N#Cc1cc(C(=O)OCCn2cc[nH+]c2)ccn1 ZINC000795970575 586095261 /nfs/dbraw/zinc/09/52/61/586095261.db2.gz NXWNPSOPMNJXNJ-UHFFFAOYSA-N 1 2 242.238 1.007 20 30 BDEDLO Cc1ccc2c(N[NH2+][C@H](C)CO)csc2c1 ZINC000797786215 586131270 /nfs/dbraw/zinc/13/12/70/586131270.db2.gz LXWNSEGLTSCWGY-SECBINFHSA-N 1 2 236.340 1.775 20 30 BDEDLO C#C[C@H](NC(=O)CCCn1cc[nH+]c1)C(C)C ZINC000799046013 586155222 /nfs/dbraw/zinc/15/52/22/586155222.db2.gz AWAZQVFCALTGPA-LBPRGKRZSA-N 1 2 233.315 1.437 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cn1 ZINC000799303132 586170176 /nfs/dbraw/zinc/17/01/76/586170176.db2.gz CIJBMAONUZMLGT-GFCCVEGCSA-N 1 2 237.278 1.490 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cn1 ZINC000799303132 586170178 /nfs/dbraw/zinc/17/01/78/586170178.db2.gz CIJBMAONUZMLGT-GFCCVEGCSA-N 1 2 237.278 1.490 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859336059 589032845 /nfs/dbraw/zinc/03/28/45/589032845.db2.gz JWVBNSHWRWNYRO-SNVBAGLBSA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859336059 589032847 /nfs/dbraw/zinc/03/28/47/589032847.db2.gz JWVBNSHWRWNYRO-SNVBAGLBSA-N 1 2 237.734 1.919 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000800383794 586214397 /nfs/dbraw/zinc/21/43/97/586214397.db2.gz CZWWWAIYJQFZBT-YPMHNXCESA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000800383794 586214398 /nfs/dbraw/zinc/21/43/98/586214398.db2.gz CZWWWAIYJQFZBT-YPMHNXCESA-N 1 2 246.310 1.599 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2cnccn2)cn1C ZINC000800809948 586230853 /nfs/dbraw/zinc/23/08/53/586230853.db2.gz ISTMUWMVUBXELM-UHFFFAOYSA-N 1 2 230.275 1.355 20 30 BDEDLO COCCON=C(C)c1cn(C)c(C)[nH+]1 ZINC000800814371 586231800 /nfs/dbraw/zinc/23/18/00/586231800.db2.gz ULWYHBIDGJAWIM-UHFFFAOYSA-N 1 2 211.265 1.116 20 30 BDEDLO CC[C@H](C)NN=C(C)c1cn(C)c(C)[nH+]1 ZINC000800817394 586232857 /nfs/dbraw/zinc/23/28/57/586232857.db2.gz ZJEPFXIYSXMMJB-QMMMGPOBSA-N 1 2 208.309 1.841 20 30 BDEDLO CC(=NNCC(C)(C)CO)c1cn(C)c(C)[nH+]1 ZINC000800817482 586233190 /nfs/dbraw/zinc/23/31/90/586233190.db2.gz NOYDWXFSERTNTB-UHFFFAOYSA-N 1 2 238.335 1.061 20 30 BDEDLO C=CC[N@H+](CN1C(=O)CC2(CCC2)C1=O)C1CC1 ZINC000840043824 586392637 /nfs/dbraw/zinc/39/26/37/586392637.db2.gz SEVOWWWEKSYTPK-UHFFFAOYSA-N 1 2 248.326 1.524 20 30 BDEDLO C=CC[N@@H+](CN1C(=O)CC2(CCC2)C1=O)C1CC1 ZINC000840043824 586392638 /nfs/dbraw/zinc/39/26/38/586392638.db2.gz SEVOWWWEKSYTPK-UHFFFAOYSA-N 1 2 248.326 1.524 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840050031 586399421 /nfs/dbraw/zinc/39/94/21/586399421.db2.gz WQFROMGTFMAZOV-WDEREUQCSA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840050031 586399424 /nfs/dbraw/zinc/39/94/24/586399424.db2.gz WQFROMGTFMAZOV-WDEREUQCSA-N 1 2 208.305 1.320 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000806288990 586408383 /nfs/dbraw/zinc/40/83/83/586408383.db2.gz BKSRIOARBRYVGE-JTQLQIEISA-N 1 2 242.282 1.868 20 30 BDEDLO C#C[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000806289260 586408590 /nfs/dbraw/zinc/40/85/90/586408590.db2.gz IVWOPZIZATXOPE-SECBINFHSA-N 1 2 228.255 1.478 20 30 BDEDLO C#CCC(CC#C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000806822310 586419068 /nfs/dbraw/zinc/41/90/68/586419068.db2.gz ZLLBZIATNNTJBT-UHFFFAOYSA-N 1 2 229.283 1.031 20 30 BDEDLO Nc1ccc(CN=Nc2ccc(Cl)nn2)c[nH+]1 ZINC000807945179 586452638 /nfs/dbraw/zinc/45/26/38/586452638.db2.gz GSDYPCSDNVFSJV-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2ccc(N)nc2)nc1 ZINC000807969739 586453890 /nfs/dbraw/zinc/45/38/90/586453890.db2.gz XEZXWRWJWSOEOJ-UHFFFAOYSA-N 1 2 227.271 1.813 20 30 BDEDLO CN(C)c1ccc(C=[NH+]Nc2ncn[nH]2)cc1F ZINC000807997428 586456825 /nfs/dbraw/zinc/45/68/25/586456825.db2.gz LVRUHWGJASCCHI-UHFFFAOYSA-N 1 2 248.265 1.456 20 30 BDEDLO CN(C)c1ccc(C=[NH+]Nc2nnc[nH]2)cc1F ZINC000807997428 586456826 /nfs/dbraw/zinc/45/68/26/586456826.db2.gz LVRUHWGJASCCHI-UHFFFAOYSA-N 1 2 248.265 1.456 20 30 BDEDLO C#Cc1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000809629324 586509872 /nfs/dbraw/zinc/50/98/72/586509872.db2.gz MIWSRCVELTVWEX-UHFFFAOYSA-N 1 2 226.283 1.086 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000809683693 586512444 /nfs/dbraw/zinc/51/24/44/586512444.db2.gz KOAAAFAEIBABDI-NSHDSACASA-N 1 2 226.283 1.379 20 30 BDEDLO Cc1nonc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000809744551 586516861 /nfs/dbraw/zinc/51/68/61/586516861.db2.gz QJOJVQCTWUGYTE-UHFFFAOYSA-N 1 2 242.282 1.848 20 30 BDEDLO C#Cc1ccccc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000810386026 586538673 /nfs/dbraw/zinc/53/86/73/586538673.db2.gz JOEJZUGOOQYXQX-UHFFFAOYSA-N 1 2 239.278 1.250 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)CCCCCC#N ZINC000810756630 586546422 /nfs/dbraw/zinc/54/64/22/586546422.db2.gz QTLUWENOUXKWIU-UHFFFAOYSA-N 1 2 234.303 1.510 20 30 BDEDLO Oc1ccc(/C=[NH+]/CCCCF)c(O)c1O ZINC000812444265 586577358 /nfs/dbraw/zinc/57/73/58/586577358.db2.gz BKNMNXKAHATLIY-NTUHNPAUSA-N 1 2 227.235 1.972 20 30 BDEDLO Oc1ccc(/C=[NH+]\CCCCF)c(O)c1O ZINC000812444266 586577496 /nfs/dbraw/zinc/57/74/96/586577496.db2.gz BKNMNXKAHATLIY-QPEQYQDCSA-N 1 2 227.235 1.972 20 30 BDEDLO C#CCCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000840271672 586588893 /nfs/dbraw/zinc/58/88/93/586588893.db2.gz XBPUKTJYOFHGFT-JTQLQIEISA-N 1 2 234.303 1.095 20 30 BDEDLO C#CCCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000840271672 586588894 /nfs/dbraw/zinc/58/88/94/586588894.db2.gz XBPUKTJYOFHGFT-JTQLQIEISA-N 1 2 234.303 1.095 20 30 BDEDLO C=C(C)CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661125 586589115 /nfs/dbraw/zinc/58/91/15/586589115.db2.gz LURODDFASZXULK-SNVBAGLBSA-N 1 2 228.292 1.114 20 30 BDEDLO C=C(C)CCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661817 586589258 /nfs/dbraw/zinc/58/92/58/586589258.db2.gz PKVPBVXMOFVVIW-NSHDSACASA-N 1 2 242.319 1.504 20 30 BDEDLO CC(=[NH+]O[C@@H]1CCCCO1)c1ccc(N)nc1 ZINC000814887769 586643529 /nfs/dbraw/zinc/64/35/29/586643529.db2.gz MLBMUIWNAUBKLM-GFCCVEGCSA-N 1 2 235.287 1.931 20 30 BDEDLO CC#CC[N@H+](C)Cc1cn(C)nc1C(F)F ZINC000815284451 586677583 /nfs/dbraw/zinc/67/75/83/586677583.db2.gz VDILHDBNWMAREV-UHFFFAOYSA-N 1 2 227.258 1.813 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cn(C)nc1C(F)F ZINC000815284451 586677584 /nfs/dbraw/zinc/67/75/84/586677584.db2.gz VDILHDBNWMAREV-UHFFFAOYSA-N 1 2 227.258 1.813 20 30 BDEDLO C=CCC(F)(F)C(=O)Nc1cc[nH+]cc1O ZINC000815881511 586695891 /nfs/dbraw/zinc/69/58/91/586695891.db2.gz QDHHYWNYILUDAR-UHFFFAOYSA-N 1 2 228.198 1.359 20 30 BDEDLO C#Cc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816839067 586767380 /nfs/dbraw/zinc/76/73/80/586767380.db2.gz TUSSDETUYVDVLL-UHFFFAOYSA-N 1 2 225.251 1.572 20 30 BDEDLO c1c[nH+]c2c(c1)CCC(=NN[C@@H]1CCOC1)CC2 ZINC000817328017 586794484 /nfs/dbraw/zinc/79/44/84/586794484.db2.gz VDTSHCCUXHZNDZ-CYBMUJFWSA-N 1 2 245.326 1.695 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@@H]1CCOC1 ZINC000819809986 586996463 /nfs/dbraw/zinc/99/64/63/586996463.db2.gz URYDATGYIMDRAG-SNVBAGLBSA-N 1 2 222.292 1.176 20 30 BDEDLO Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)c(C#N)c[nH+]1 ZINC000819928349 587002582 /nfs/dbraw/zinc/00/25/82/587002582.db2.gz ISRHFJRVIOWUDK-WCQYABFASA-N 1 2 229.283 1.080 20 30 BDEDLO C#C[C@H](C)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000820401026 587046499 /nfs/dbraw/zinc/04/64/99/587046499.db2.gz UTHMERKVZWJJGG-GUBZILKMSA-N 1 2 232.287 1.210 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)CO ZINC000820619265 587059491 /nfs/dbraw/zinc/05/94/91/587059491.db2.gz GKCQGPPPGXTOLG-NSHDSACASA-N 1 2 234.299 1.667 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2nonc2c1 ZINC000821368616 587112770 /nfs/dbraw/zinc/11/27/70/587112770.db2.gz PMPXQKLUSCROMK-SECBINFHSA-N 1 2 230.271 1.814 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000821368616 587112772 /nfs/dbraw/zinc/11/27/72/587112772.db2.gz PMPXQKLUSCROMK-SECBINFHSA-N 1 2 230.271 1.814 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821598177 587131656 /nfs/dbraw/zinc/13/16/56/587131656.db2.gz UAPMXZJJFBYCHQ-UHFFFAOYSA-N 1 2 242.286 1.212 20 30 BDEDLO C#C[C@H](CCC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000822396873 587165604 /nfs/dbraw/zinc/16/56/04/587165604.db2.gz OAYMDRJIHSBHKJ-SNVBAGLBSA-N 1 2 233.315 1.433 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822407048 587166440 /nfs/dbraw/zinc/16/64/40/587166440.db2.gz LRJWYDQYTMFZPN-OLZOCXBDSA-N 1 2 247.342 1.998 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836152 587241630 /nfs/dbraw/zinc/24/16/30/587241630.db2.gz FBYJQIZVDNSATI-LLVKDONJSA-N 1 2 232.283 1.675 20 30 BDEDLO CCn1nc(C)c(C[NH+]2CCC(CC#N)CC2)n1 ZINC000824135659 587257549 /nfs/dbraw/zinc/25/75/49/587257549.db2.gz QMEDFKAYLBXGHI-UHFFFAOYSA-N 1 2 247.346 1.732 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(F)ncc1F ZINC000824282199 587264351 /nfs/dbraw/zinc/26/43/51/587264351.db2.gz QSJGRUGOXQQXJN-UHFFFAOYSA-N 1 2 242.269 1.994 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(F)ncc1F ZINC000824282199 587264352 /nfs/dbraw/zinc/26/43/52/587264352.db2.gz QSJGRUGOXQQXJN-UHFFFAOYSA-N 1 2 242.269 1.994 20 30 BDEDLO COc1ccc(C[NH2+]C(CF)CF)cc1C#N ZINC000824554584 587275887 /nfs/dbraw/zinc/27/58/87/587275887.db2.gz HVULUQZDQAKTMX-UHFFFAOYSA-N 1 2 240.253 1.964 20 30 BDEDLO C=CCN(CC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000824610260 587279531 /nfs/dbraw/zinc/27/95/31/587279531.db2.gz KKNKVARFQGBUMW-UHFFFAOYSA-N 1 2 247.220 1.529 20 30 BDEDLO CC(C)(C)CN(CCC#N)C(=O)Cc1[nH]cc[nH+]1 ZINC000826578131 587355683 /nfs/dbraw/zinc/35/56/83/587355683.db2.gz VRORVHALYDLOAS-UHFFFAOYSA-N 1 2 248.330 1.741 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](O)CCC ZINC000827515985 587385785 /nfs/dbraw/zinc/38/57/85/587385785.db2.gz LCAJMGHXTYHFJR-LLVKDONJSA-N 1 2 229.320 1.199 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](O)CCC ZINC000827515985 587385787 /nfs/dbraw/zinc/38/57/87/587385787.db2.gz LCAJMGHXTYHFJR-LLVKDONJSA-N 1 2 229.320 1.199 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829302829 587491734 /nfs/dbraw/zinc/49/17/34/587491734.db2.gz MMJVRZDJGNWIJO-JTQLQIEISA-N 1 2 233.764 1.947 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829302829 587491736 /nfs/dbraw/zinc/49/17/36/587491736.db2.gz MMJVRZDJGNWIJO-JTQLQIEISA-N 1 2 233.764 1.947 20 30 BDEDLO C=CCCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829451354 587498016 /nfs/dbraw/zinc/49/80/16/587498016.db2.gz IAPOGVSFJHAZTB-UHFFFAOYSA-N 1 2 234.303 1.233 20 30 BDEDLO C=CCCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829451354 587498018 /nfs/dbraw/zinc/49/80/18/587498018.db2.gz IAPOGVSFJHAZTB-UHFFFAOYSA-N 1 2 234.303 1.233 20 30 BDEDLO C#C[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000836407638 587832706 /nfs/dbraw/zinc/83/27/06/587832706.db2.gz QODMIKRLBWNAPC-SNVBAGLBSA-N 1 2 231.299 1.519 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)C#CC1CC1 ZINC000837400984 587870592 /nfs/dbraw/zinc/87/05/92/587870592.db2.gz AJYAVIYSBPQRIZ-UHFFFAOYSA-N 1 2 200.241 1.164 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)C#CC(C)(C)C ZINC000837669715 587889475 /nfs/dbraw/zinc/88/94/75/587889475.db2.gz ZNDIJPVHFBMCSJ-UHFFFAOYSA-N 1 2 246.310 1.756 20 30 BDEDLO CC(C)(C=NOC/C=C/Cl)[NH+]1CCOCC1 ZINC000841639449 587965218 /nfs/dbraw/zinc/96/52/18/587965218.db2.gz RAZAWXMTMMJIBE-VEFQMGLTSA-N 1 2 246.738 1.852 20 30 BDEDLO C=CCOCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000842033643 587991615 /nfs/dbraw/zinc/99/16/15/587991615.db2.gz TUJZYBUUSKDABO-NSHDSACASA-N 1 2 244.335 1.749 20 30 BDEDLO C=CCC[N@@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842603478 588045524 /nfs/dbraw/zinc/04/55/24/588045524.db2.gz UAPLNMIEBBLDQY-UHFFFAOYSA-N 1 2 238.335 1.093 20 30 BDEDLO C=CCC[N@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842603478 588045526 /nfs/dbraw/zinc/04/55/26/588045526.db2.gz UAPLNMIEBBLDQY-UHFFFAOYSA-N 1 2 238.335 1.093 20 30 BDEDLO Oc1ccccc1/C=[NH+]\CC[C@]1(O)CCOC1 ZINC000844269297 588178103 /nfs/dbraw/zinc/17/81/03/588178103.db2.gz BICUANFKXZMHGL-GFAPJHNFSA-N 1 2 235.283 1.353 20 30 BDEDLO CC/C(C)=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844528722 588200877 /nfs/dbraw/zinc/20/08/77/588200877.db2.gz XKGJXTMRJQTAJE-UMAGTOLTSA-N 1 2 223.320 1.303 20 30 BDEDLO C#CCCc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000844850027 588218522 /nfs/dbraw/zinc/21/85/22/588218522.db2.gz NEVWIGRDHLIFKJ-JTQLQIEISA-N 1 2 230.271 1.636 20 30 BDEDLO C[C@@H](CC(=O)O[C@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000845479179 588229986 /nfs/dbraw/zinc/22/99/86/588229986.db2.gz JTKQDHXEVPKAHR-GXSJLCMTSA-N 1 2 233.271 1.680 20 30 BDEDLO C[C@H](CC(=O)O[C@@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000845479181 588230017 /nfs/dbraw/zinc/23/00/17/588230017.db2.gz JTKQDHXEVPKAHR-KOLCDFICSA-N 1 2 233.271 1.680 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000845500870 588231088 /nfs/dbraw/zinc/23/10/88/588231088.db2.gz PAPZEAGQUJBFOZ-HDJSIYSDSA-N 1 2 248.370 1.590 20 30 BDEDLO C=CCONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846247990 588262533 /nfs/dbraw/zinc/26/25/33/588262533.db2.gz BXHMPUGPHOBUMA-SECBINFHSA-N 1 2 209.249 1.068 20 30 BDEDLO C=CC1CC[NH+](Cc2cnsn2)CC1 ZINC000846803733 588289165 /nfs/dbraw/zinc/28/91/65/588289165.db2.gz RPHRHDIVSXIUSA-UHFFFAOYSA-N 1 2 209.318 1.936 20 30 BDEDLO CCN1C[C@H](C[N@H+](C)[C@H](C)CC#N)OC1=O ZINC000846816524 588290085 /nfs/dbraw/zinc/29/00/85/588290085.db2.gz XUOHJGALHJAZQB-ZJUUUORDSA-N 1 2 225.292 1.061 20 30 BDEDLO CCN1C[C@H](C[N@@H+](C)[C@H](C)CC#N)OC1=O ZINC000846816524 588290086 /nfs/dbraw/zinc/29/00/86/588290086.db2.gz XUOHJGALHJAZQB-ZJUUUORDSA-N 1 2 225.292 1.061 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CCC=C)nn1)C1CC1 ZINC000846856707 588293601 /nfs/dbraw/zinc/29/36/01/588293601.db2.gz ROMIQGRHQWIGEC-UHFFFAOYSA-N 1 2 230.315 1.452 20 30 BDEDLO C#CC[N@H+](Cc1cn(CCC=C)nn1)C1CC1 ZINC000846856707 588293602 /nfs/dbraw/zinc/29/36/02/588293602.db2.gz ROMIQGRHQWIGEC-UHFFFAOYSA-N 1 2 230.315 1.452 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000847038885 588304696 /nfs/dbraw/zinc/30/46/96/588304696.db2.gz ZEBJJNWHCYXOOJ-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000847038885 588304697 /nfs/dbraw/zinc/30/46/97/588304697.db2.gz ZEBJJNWHCYXOOJ-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000847116985 588306788 /nfs/dbraw/zinc/30/67/88/588306788.db2.gz QPEYRDHZXFPTEF-GHMZBOCLSA-N 1 2 245.326 1.289 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000847116985 588306789 /nfs/dbraw/zinc/30/67/89/588306789.db2.gz QPEYRDHZXFPTEF-GHMZBOCLSA-N 1 2 245.326 1.289 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)CCCCC#N ZINC000847654614 588323769 /nfs/dbraw/zinc/32/37/69/588323769.db2.gz QUOPWZXTHFLLMY-UHFFFAOYSA-N 1 2 221.260 1.547 20 30 BDEDLO C[C@H]1OCC(=NNCCCn2cc[nH+]c2)[C@H]1C ZINC000848416148 588380839 /nfs/dbraw/zinc/38/08/39/588380839.db2.gz ARMQSSMYHNYGII-WDEREUQCSA-N 1 2 236.319 1.274 20 30 BDEDLO C[C@@H]1C[C@H]1CN=NCCCn1cc[nH+]c1 ZINC000848418347 588381997 /nfs/dbraw/zinc/38/19/97/588381997.db2.gz MJLNOSXTDQKEHM-MNOVXSKESA-N 1 2 206.293 1.505 20 30 BDEDLO Cc1cc(C)c(C=NNCCCn2cc[nH+]c2)[nH]1 ZINC000848418301 588382440 /nfs/dbraw/zinc/38/24/40/588382440.db2.gz KXNMCAFGSWWGDS-UHFFFAOYSA-N 1 2 245.330 1.842 20 30 BDEDLO Cc1ccc(C=NNCCCn2cc[nH+]c2)o1 ZINC000848417603 588382624 /nfs/dbraw/zinc/38/26/24/588382624.db2.gz BWBVPTPMUGSILZ-UHFFFAOYSA-N 1 2 232.287 1.798 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1CCCn2ccnc21)[C@@H]1CCCO1 ZINC000848545435 588395122 /nfs/dbraw/zinc/39/51/22/588395122.db2.gz FRNIZJXKJJOJGH-XQQFMLRXSA-N 1 2 245.326 1.488 20 30 BDEDLO N#Cc1nccc(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000848675786 588405064 /nfs/dbraw/zinc/40/50/64/588405064.db2.gz DFGLROPIQHEWSR-VIFPVBQESA-N 1 2 240.270 1.413 20 30 BDEDLO C#C[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000848750393 588411284 /nfs/dbraw/zinc/41/12/84/588411284.db2.gz FPWXWTSVQGDCCB-LLVKDONJSA-N 1 2 242.326 1.901 20 30 BDEDLO C#C[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000848750393 588411285 /nfs/dbraw/zinc/41/12/85/588411285.db2.gz FPWXWTSVQGDCCB-LLVKDONJSA-N 1 2 242.326 1.901 20 30 BDEDLO Cn1c(Cl)ncc1C[NH+]1CCC(C#N)CC1 ZINC000848886641 588417263 /nfs/dbraw/zinc/41/72/63/588417263.db2.gz YTKVBRUDIJSKDW-UHFFFAOYSA-N 1 2 238.722 1.809 20 30 BDEDLO Cn1c(Cl)ncc1C[NH2+]CC(C)(C)C#N ZINC000848901766 588418777 /nfs/dbraw/zinc/41/87/77/588418777.db2.gz BWEDCOICNPBBGJ-UHFFFAOYSA-N 1 2 226.711 1.713 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)c1ccccn1 ZINC000851741287 588621282 /nfs/dbraw/zinc/62/12/82/588621282.db2.gz DAIXIDRJEJFLEE-AAEUAGOBSA-N 1 2 233.315 1.597 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)c1ccccn1 ZINC000851741287 588621283 /nfs/dbraw/zinc/62/12/83/588621283.db2.gz DAIXIDRJEJFLEE-AAEUAGOBSA-N 1 2 233.315 1.597 20 30 BDEDLO N#CC[N@@H+](C[C@H]1CCC(=O)O1)C1CCCC1 ZINC000851778533 588627148 /nfs/dbraw/zinc/62/71/48/588627148.db2.gz HEKRGLCJBOGAHB-LLVKDONJSA-N 1 2 222.288 1.460 20 30 BDEDLO N#CC[N@H+](C[C@H]1CCC(=O)O1)C1CCCC1 ZINC000851778533 588627149 /nfs/dbraw/zinc/62/71/49/588627149.db2.gz HEKRGLCJBOGAHB-LLVKDONJSA-N 1 2 222.288 1.460 20 30 BDEDLO C#CCOCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000851805356 588631307 /nfs/dbraw/zinc/63/13/07/588631307.db2.gz AOXMLAPFPAQAFM-CYBMUJFWSA-N 1 2 235.283 1.303 20 30 BDEDLO C#CCOCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000851805356 588631308 /nfs/dbraw/zinc/63/13/08/588631308.db2.gz AOXMLAPFPAQAFM-CYBMUJFWSA-N 1 2 235.283 1.303 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cc(C2CC2)no1)[C@@H]1CCCO1 ZINC000851949197 588646997 /nfs/dbraw/zinc/64/69/97/588646997.db2.gz BIVDPKFTYGVFIX-JSGCOSHPSA-N 1 2 246.310 1.822 20 30 BDEDLO CC1(C#N)C[NH+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000852003833 588654381 /nfs/dbraw/zinc/65/43/81/588654381.db2.gz MQEQYMHTHFYTPC-SNVBAGLBSA-N 1 2 224.304 1.373 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(C)o1 ZINC000852099738 588662651 /nfs/dbraw/zinc/66/26/51/588662651.db2.gz PKHTXDRALGEDDS-KCJUWKMLSA-N 1 2 207.277 1.831 20 30 BDEDLO C=CCCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000852360777 588679815 /nfs/dbraw/zinc/67/98/15/588679815.db2.gz MAEHJMLSIMHXMA-VIFPVBQESA-N 1 2 220.276 1.203 20 30 BDEDLO C=CC[N@H+]([C@H](C)COC)[C@H](C)C(=O)OCCC ZINC000852358330 588679914 /nfs/dbraw/zinc/67/99/14/588679914.db2.gz QCVLSUMSWMUTCP-VXGBXAGGSA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@@H+]([C@H](C)COC)[C@H](C)C(=O)OCCC ZINC000852358330 588679915 /nfs/dbraw/zinc/67/99/15/588679915.db2.gz QCVLSUMSWMUTCP-VXGBXAGGSA-N 1 2 243.347 1.851 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688202 588696312 /nfs/dbraw/zinc/69/63/12/588696312.db2.gz ZIULNPGCEUVAJC-AAEUAGOBSA-N 1 2 249.314 1.205 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688202 588696313 /nfs/dbraw/zinc/69/63/13/588696313.db2.gz ZIULNPGCEUVAJC-AAEUAGOBSA-N 1 2 249.314 1.205 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000861340805 589161351 /nfs/dbraw/zinc/16/13/51/589161351.db2.gz KMTWGXYRVQPFJS-NEPJUHHUSA-N 1 2 245.326 1.234 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cnc(C)o1)[C@@H]1CCCO1 ZINC000862330763 589201200 /nfs/dbraw/zinc/20/12/00/589201200.db2.gz DJPMNFKSGCPETD-NEPJUHHUSA-N 1 2 220.272 1.253 20 30 BDEDLO CC[C@H]1CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000119258363 589254650 /nfs/dbraw/zinc/25/46/50/589254650.db2.gz CANOLTSPBVYHQQ-NSHDSACASA-N 1 2 235.331 1.438 20 30 BDEDLO C#CCN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863118110 589259896 /nfs/dbraw/zinc/25/98/96/589259896.db2.gz NLKMIZVWFJXDMJ-UHFFFAOYSA-N 1 2 237.253 1.588 20 30 BDEDLO CC(C)(O)CNN=Cc1cccc2[nH+]ccn21 ZINC000863137581 589262089 /nfs/dbraw/zinc/26/20/89/589262089.db2.gz DFTDFDJNPKYRNY-UHFFFAOYSA-N 1 2 232.287 1.029 20 30 BDEDLO COCC(=[NH+]n1cccn1)C1CCCC1 ZINC000863164526 589266571 /nfs/dbraw/zinc/26/65/71/589266571.db2.gz MGUHFSOCAMNTSQ-UHFFFAOYSA-N 1 2 207.277 1.924 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000120089899 589375653 /nfs/dbraw/zinc/37/56/53/589375653.db2.gz QKYUCMLAYWONMK-UHFFFAOYSA-N 1 2 246.354 1.200 20 30 BDEDLO N#CCCNc1cc[nH+]cc1C(F)(F)F ZINC000865732372 589458833 /nfs/dbraw/zinc/45/88/33/589458833.db2.gz AAXKCDNKLRAQPY-UHFFFAOYSA-N 1 2 215.178 1.848 20 30 BDEDLO C[C@H](CC(N)=O)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866287546 589484345 /nfs/dbraw/zinc/48/43/45/589484345.db2.gz OFSVOPVDHDLYBI-RKDXNWHRSA-N 1 2 247.298 1.178 20 30 BDEDLO C[C@H]([NH2+]CCCCO)c1cccc(C#N)c1O ZINC000866348432 589487503 /nfs/dbraw/zinc/48/75/03/589487503.db2.gz BHUBBIMLGUJZIL-JTQLQIEISA-N 1 2 234.299 1.687 20 30 BDEDLO C[C@@H]([NH2+]C/C=C/CO)c1cccc(C#N)c1O ZINC000866386350 589489267 /nfs/dbraw/zinc/48/92/67/589489267.db2.gz CSTXSHUXYNNWFC-VMZHVLLKSA-N 1 2 232.283 1.463 20 30 BDEDLO CC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866388724 589489415 /nfs/dbraw/zinc/48/94/15/589489415.db2.gz FXCRSZSNMJVHRJ-GXSJLCMTSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@H]([NH2+]CC1COC1)c1cccc(C#N)c1O ZINC000866399807 589490313 /nfs/dbraw/zinc/49/03/13/589490313.db2.gz VVIBOWDJYQLFBQ-VIFPVBQESA-N 1 2 232.283 1.561 20 30 BDEDLO C#CCCOC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000867756906 589533496 /nfs/dbraw/zinc/53/34/96/589533496.db2.gz QPMZOJPAXGOUBS-UHFFFAOYSA-N 1 2 207.233 1.001 20 30 BDEDLO N#CCCNC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867874123 589538290 /nfs/dbraw/zinc/53/82/90/589538290.db2.gz YCYAWXXGANFMNF-UHFFFAOYSA-N 1 2 246.245 1.046 20 30 BDEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccnn1C ZINC000871925621 589833098 /nfs/dbraw/zinc/83/30/98/589833098.db2.gz CZZCTDSPFQXXFQ-MNOVXSKESA-N 1 2 231.303 1.514 20 30 BDEDLO c1[nH+]c(CN=Nc2cccnn2)cn1C1CC1 ZINC000872352747 589916221 /nfs/dbraw/zinc/91/62/21/589916221.db2.gz FJRKJGDZLAIIDJ-UHFFFAOYSA-N 1 2 228.259 1.454 20 30 BDEDLO Cc1cc(N=NCc2cn(C3CC3)c[nH+]2)ncn1 ZINC000872351502 589916245 /nfs/dbraw/zinc/91/62/45/589916245.db2.gz GNVDDLSNGZQTQJ-UHFFFAOYSA-N 1 2 242.286 1.762 20 30 BDEDLO c1cnn(N=C2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000872393109 589932167 /nfs/dbraw/zinc/93/21/67/589932167.db2.gz LFCVYJJIFXZBGH-NSHDSACASA-N 1 2 236.344 1.298 20 30 BDEDLO c1cnn(N=C2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000872393109 589932168 /nfs/dbraw/zinc/93/21/68/589932168.db2.gz LFCVYJJIFXZBGH-NSHDSACASA-N 1 2 236.344 1.298 20 30 BDEDLO c1cnn([NH+]=C2CCCN3CCSC[C@@H]23)c1 ZINC000872393109 589932169 /nfs/dbraw/zinc/93/21/69/589932169.db2.gz LFCVYJJIFXZBGH-NSHDSACASA-N 1 2 236.344 1.298 20 30 BDEDLO C(=NN1CCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000872396794 589934055 /nfs/dbraw/zinc/93/40/55/589934055.db2.gz HNZULZOELWQDEV-UHFFFAOYSA-N 1 2 232.312 1.973 20 30 BDEDLO C=CC[N@H+](CN1C[C@H]2CCCCN2C1=O)C1CC1 ZINC000872595493 589955124 /nfs/dbraw/zinc/95/51/24/589955124.db2.gz MADZZGFOSZTBNM-CYBMUJFWSA-N 1 2 249.358 1.884 20 30 BDEDLO C=CC[N@@H+](CN1C[C@H]2CCCCN2C1=O)C1CC1 ZINC000872595493 589955126 /nfs/dbraw/zinc/95/51/26/589955126.db2.gz MADZZGFOSZTBNM-CYBMUJFWSA-N 1 2 249.358 1.884 20 30 BDEDLO N#CCC[NH2+]Cc1cncc(Br)c1 ZINC000124973261 590106619 /nfs/dbraw/zinc/10/66/19/590106619.db2.gz CDWMFYQYBPAQCG-UHFFFAOYSA-N 1 2 240.104 1.847 20 30 BDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCOCC1 ZINC000876509801 590205714 /nfs/dbraw/zinc/20/57/14/590205714.db2.gz KTQNNYDSVFNFEO-UHFFFAOYSA-N 1 2 245.326 1.456 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876618027 590222391 /nfs/dbraw/zinc/22/23/91/590222391.db2.gz YSQOYJNFZXJOSC-SNVBAGLBSA-N 1 2 243.314 1.560 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876618027 590222392 /nfs/dbraw/zinc/22/23/92/590222392.db2.gz YSQOYJNFZXJOSC-SNVBAGLBSA-N 1 2 243.314 1.560 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876690967 590231411 /nfs/dbraw/zinc/23/14/11/590231411.db2.gz WOJONBLHZWOBPT-SNVBAGLBSA-N 1 2 243.314 1.702 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876690967 590231412 /nfs/dbraw/zinc/23/14/12/590231412.db2.gz WOJONBLHZWOBPT-SNVBAGLBSA-N 1 2 243.314 1.702 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000876734418 590234533 /nfs/dbraw/zinc/23/45/33/590234533.db2.gz SEOFVFGNGRMFEU-JSGCOSHPSA-N 1 2 246.358 1.598 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000876734418 590234534 /nfs/dbraw/zinc/23/45/34/590234534.db2.gz SEOFVFGNGRMFEU-JSGCOSHPSA-N 1 2 246.358 1.598 20 30 BDEDLO C#Cc1cccc(C[NH2+]Cc2ncnn2CC)c1 ZINC000877575133 590363364 /nfs/dbraw/zinc/36/33/64/590363364.db2.gz ICFPIXCSNIHXKZ-UHFFFAOYSA-N 1 2 240.310 1.569 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1c(C)cccc1O)C(=O)OC ZINC000877583366 590366268 /nfs/dbraw/zinc/36/62/68/590366268.db2.gz PMKFFXJGTLVKDC-LBPRGKRZSA-N 1 2 247.294 1.355 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OC ZINC000877583212 590366866 /nfs/dbraw/zinc/36/68/66/590366866.db2.gz MRWGMUJLYUHENZ-QWRGUYRKSA-N 1 2 222.288 1.081 20 30 BDEDLO C#CC[C@H]([NH2+]CC1(C)CCCC1)C(=O)OC ZINC000877582537 590366893 /nfs/dbraw/zinc/36/68/93/590366893.db2.gz AEVXQVAIWDMNBY-NSHDSACASA-N 1 2 223.316 1.721 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000877897808 590442483 /nfs/dbraw/zinc/44/24/83/590442483.db2.gz QZWBSWTXXCSBCB-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000877897808 590442484 /nfs/dbraw/zinc/44/24/84/590442484.db2.gz QZWBSWTXXCSBCB-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccco1 ZINC000877906270 590444135 /nfs/dbraw/zinc/44/41/35/590444135.db2.gz MHRJFAFAAVFZGR-LLVKDONJSA-N 1 2 223.272 1.829 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccco1 ZINC000877906270 590444137 /nfs/dbraw/zinc/44/41/37/590444137.db2.gz MHRJFAFAAVFZGR-LLVKDONJSA-N 1 2 223.272 1.829 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000877958049 590457124 /nfs/dbraw/zinc/45/71/24/590457124.db2.gz QYKYMOBXUQAHEW-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000877958049 590457126 /nfs/dbraw/zinc/45/71/26/590457126.db2.gz QYKYMOBXUQAHEW-GHMZBOCLSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C#N)CC1 ZINC000878016678 590473268 /nfs/dbraw/zinc/47/32/68/590473268.db2.gz RGDCEHIQGNLZHB-NSHDSACASA-N 1 2 222.288 1.340 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878382779 590557064 /nfs/dbraw/zinc/55/70/64/590557064.db2.gz GJUFMDDKFQFLPT-UHFFFAOYSA-N 1 2 249.314 1.263 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878382779 590557065 /nfs/dbraw/zinc/55/70/65/590557065.db2.gz GJUFMDDKFQFLPT-UHFFFAOYSA-N 1 2 249.314 1.263 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000878383512 590557657 /nfs/dbraw/zinc/55/76/57/590557657.db2.gz RMLWFXVHPWKTSO-GMTAPVOTSA-N 1 2 229.295 1.784 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000878383512 590557658 /nfs/dbraw/zinc/55/76/58/590557658.db2.gz RMLWFXVHPWKTSO-GMTAPVOTSA-N 1 2 229.295 1.784 20 30 BDEDLO N#CCC1(C[N@@H+]2CCO[C@@H](C(F)F)C2)CC1 ZINC000878561248 590591805 /nfs/dbraw/zinc/59/18/05/590591805.db2.gz LYQMJSCMSKCWHO-SECBINFHSA-N 1 2 230.258 1.646 20 30 BDEDLO N#CCC1(C[N@H+]2CCO[C@@H](C(F)F)C2)CC1 ZINC000878561248 590591806 /nfs/dbraw/zinc/59/18/06/590591806.db2.gz LYQMJSCMSKCWHO-SECBINFHSA-N 1 2 230.258 1.646 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](CC=C)C(=O)OC ZINC000878661856 590605351 /nfs/dbraw/zinc/60/53/51/590605351.db2.gz IVVXMSYNZILHQQ-CMPLNLGQSA-N 1 2 209.289 1.496 20 30 BDEDLO C#CC[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000878907777 590645547 /nfs/dbraw/zinc/64/55/47/590645547.db2.gz CRQUCNCEHFEWON-NSHDSACASA-N 1 2 247.298 1.204 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879309097 590734911 /nfs/dbraw/zinc/73/49/11/590734911.db2.gz UIYVBLKUPUNRDQ-PWGYGRHZSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879309097 590734913 /nfs/dbraw/zinc/73/49/13/590734913.db2.gz UIYVBLKUPUNRDQ-PWGYGRHZSA-N 1 2 236.315 1.730 20 30 BDEDLO CCC[C@H](C)[N@@H+](CC#N)CCC(=O)OC ZINC000879471931 590775744 /nfs/dbraw/zinc/77/57/44/590775744.db2.gz KDUSNLFSQXCMSY-JTQLQIEISA-N 1 2 212.293 1.564 20 30 BDEDLO CCC[C@H](C)[N@H+](CC#N)CCC(=O)OC ZINC000879471931 590775747 /nfs/dbraw/zinc/77/57/47/590775747.db2.gz KDUSNLFSQXCMSY-JTQLQIEISA-N 1 2 212.293 1.564 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)OC ZINC000880516394 591084032 /nfs/dbraw/zinc/08/40/32/591084032.db2.gz XGHIUCNAUWQHKR-WZRBSPASSA-N 1 2 239.315 1.405 20 30 BDEDLO C=C(Cl)Cn1cc(C[NH2+]CC#CC)nn1 ZINC000881426411 591203074 /nfs/dbraw/zinc/20/30/74/591203074.db2.gz GCWPOKOLJXKLPR-UHFFFAOYSA-N 1 2 224.695 1.144 20 30 BDEDLO C=C(Cl)Cn1cc[nH+]c1CN1CCOCC1 ZINC000883002267 591504497 /nfs/dbraw/zinc/50/44/97/591504497.db2.gz BMQCLHHFNBTFND-UHFFFAOYSA-N 1 2 241.722 1.468 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000883005034 591505909 /nfs/dbraw/zinc/50/59/09/591505909.db2.gz CWSMCRXXIUOECK-NSHDSACASA-N 1 2 221.304 1.778 20 30 BDEDLO C#CCNC(=O)CSc1[nH+]cc2ccccn21 ZINC000027667318 591658381 /nfs/dbraw/zinc/65/83/81/591658381.db2.gz PRXCECXJJABSAU-UHFFFAOYSA-N 1 2 245.307 1.176 20 30 BDEDLO COC(C[N@H+](CCC#N)CCC(C)C)OC ZINC000136777694 592150198 /nfs/dbraw/zinc/15/01/98/592150198.db2.gz KOPDTHQAMWMRMZ-UHFFFAOYSA-N 1 2 228.336 1.867 20 30 BDEDLO COC(C[N@@H+](CCC#N)CCC(C)C)OC ZINC000136777694 592150200 /nfs/dbraw/zinc/15/02/00/592150200.db2.gz KOPDTHQAMWMRMZ-UHFFFAOYSA-N 1 2 228.336 1.867 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCCn2nncc2C1 ZINC000886460924 592228150 /nfs/dbraw/zinc/22/81/50/592228150.db2.gz CEPKMSJZCQJYJG-LLVKDONJSA-N 1 2 218.304 1.286 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCCn2nncc2C1 ZINC000886460924 592228152 /nfs/dbraw/zinc/22/81/52/592228152.db2.gz CEPKMSJZCQJYJG-LLVKDONJSA-N 1 2 218.304 1.286 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886950511 592401471 /nfs/dbraw/zinc/40/14/71/592401471.db2.gz MNIBYVILZAMCKM-QWRGUYRKSA-N 1 2 227.304 1.263 20 30 BDEDLO COC(=O)[C@H]1CSCC[N@@H+]1CCCCC#N ZINC000887071922 592434750 /nfs/dbraw/zinc/43/47/50/592434750.db2.gz FLNRQGFZUIQJBQ-SNVBAGLBSA-N 1 2 242.344 1.271 20 30 BDEDLO COC(=O)[C@H]1CSCC[N@H+]1CCCCC#N ZINC000887071922 592434752 /nfs/dbraw/zinc/43/47/52/592434752.db2.gz FLNRQGFZUIQJBQ-SNVBAGLBSA-N 1 2 242.344 1.271 20 30 BDEDLO C#CCC1([NH2+]Cc2noc(C)n2)CCOCC1 ZINC000887125995 592447611 /nfs/dbraw/zinc/44/76/11/592447611.db2.gz RSNZEVYQRVDDBM-UHFFFAOYSA-N 1 2 235.287 1.040 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)C(=O)OC ZINC000887310561 592478751 /nfs/dbraw/zinc/47/87/51/592478751.db2.gz JPVWHTLQWSJMKR-ADEWGFFLSA-N 1 2 241.331 1.507 20 30 BDEDLO C[N@H+](Cc1ccc(N)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000931477538 634503007 /nfs/dbraw/zinc/50/30/07/634503007.db2.gz YHWHWKJXUVNBJJ-VXGBXAGGSA-N 1 2 230.315 1.788 20 30 BDEDLO C[N@@H+](Cc1ccc(N)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000931477538 634503016 /nfs/dbraw/zinc/50/30/16/634503016.db2.gz YHWHWKJXUVNBJJ-VXGBXAGGSA-N 1 2 230.315 1.788 20 30 BDEDLO COC[C@@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000933328224 631259903 /nfs/dbraw/zinc/25/99/03/631259903.db2.gz VRDRSEHPQNAFIB-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO COC[C@@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000933328224 631259906 /nfs/dbraw/zinc/25/99/06/631259906.db2.gz VRDRSEHPQNAFIB-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCCC2)C1 ZINC000949555560 631384947 /nfs/dbraw/zinc/38/49/47/631384947.db2.gz WJPARUWIIHOHHI-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000934012277 631588699 /nfs/dbraw/zinc/58/86/99/631588699.db2.gz PSUNVCCWCJZSME-NSHDSACASA-N 1 2 247.254 1.033 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000934012277 631588706 /nfs/dbraw/zinc/58/87/06/631588706.db2.gz PSUNVCCWCJZSME-NSHDSACASA-N 1 2 247.254 1.033 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(COC)no1 ZINC000934460913 631852990 /nfs/dbraw/zinc/85/29/90/631852990.db2.gz KYUCDSRKJNYGCL-VHSXEESVSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(COC)no1 ZINC000934460913 631852994 /nfs/dbraw/zinc/85/29/94/631852994.db2.gz KYUCDSRKJNYGCL-VHSXEESVSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000934472815 631866819 /nfs/dbraw/zinc/86/68/19/631866819.db2.gz VIEAEWXRVBBRDR-LLVKDONJSA-N 1 2 248.330 1.317 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000934472815 631866823 /nfs/dbraw/zinc/86/68/23/631866823.db2.gz VIEAEWXRVBBRDR-LLVKDONJSA-N 1 2 248.330 1.317 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccco1 ZINC000934510052 631890468 /nfs/dbraw/zinc/89/04/68/631890468.db2.gz GKCAGUNYUMWZDC-GFCCVEGCSA-N 1 2 246.310 1.384 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000934510052 631890471 /nfs/dbraw/zinc/89/04/71/631890471.db2.gz GKCAGUNYUMWZDC-GFCCVEGCSA-N 1 2 246.310 1.384 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC000934513953 631896839 /nfs/dbraw/zinc/89/68/39/631896839.db2.gz DCZYSRHRYJYYGR-NSHDSACASA-N 1 2 231.299 1.478 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC000934513953 631896841 /nfs/dbraw/zinc/89/68/41/631896841.db2.gz DCZYSRHRYJYYGR-NSHDSACASA-N 1 2 231.299 1.478 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000155035204 632103859 /nfs/dbraw/zinc/10/38/59/632103859.db2.gz BFKHPXHKSBTYRH-NSHDSACASA-N 1 2 210.321 1.710 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000155035204 632103868 /nfs/dbraw/zinc/10/38/68/632103868.db2.gz BFKHPXHKSBTYRH-NSHDSACASA-N 1 2 210.321 1.710 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000949730124 632411283 /nfs/dbraw/zinc/41/12/83/632411283.db2.gz YRUAYSYHUHCIHB-LBPRGKRZSA-N 1 2 242.338 1.701 20 30 BDEDLO Cn1ncc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000309643226 633216363 /nfs/dbraw/zinc/21/63/63/633216363.db2.gz PHQJPUZPINXCOT-UHFFFAOYSA-N 1 2 233.300 1.038 20 30 BDEDLO C#CCOc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000054179795 636046649 /nfs/dbraw/zinc/04/66/49/636046649.db2.gz RWQYLUOMUZVRBO-GFCCVEGCSA-N 1 2 228.295 1.948 20 30 BDEDLO C#CCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000192322473 636051305 /nfs/dbraw/zinc/05/13/05/636051305.db2.gz CSMIMRJIGCEXDC-UHFFFAOYSA-N 1 2 246.314 1.139 20 30 BDEDLO C#CCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000192322473 636051310 /nfs/dbraw/zinc/05/13/10/636051310.db2.gz CSMIMRJIGCEXDC-UHFFFAOYSA-N 1 2 246.314 1.139 20 30 BDEDLO CCC(CC)C[N@H+](CCC#N)Cn1cnnc1 ZINC000182583976 633951440 /nfs/dbraw/zinc/95/14/40/633951440.db2.gz HTRIEKXDSINJGP-UHFFFAOYSA-N 1 2 235.335 1.887 20 30 BDEDLO CCC(CC)C[N@@H+](CCC#N)Cn1cnnc1 ZINC000182583976 633951445 /nfs/dbraw/zinc/95/14/45/633951445.db2.gz HTRIEKXDSINJGP-UHFFFAOYSA-N 1 2 235.335 1.887 20 30 BDEDLO NC(=[NH+]OCCOCC(F)F)c1ccccc1 ZINC000189165528 634170066 /nfs/dbraw/zinc/17/00/66/634170066.db2.gz PMNCUMCOYHHPTN-UHFFFAOYSA-N 1 2 244.241 1.605 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C#N)C1 ZINC000928215641 635831431 /nfs/dbraw/zinc/83/14/31/635831431.db2.gz AWHDFDBMUQSNEP-WDEREUQCSA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C#N)C1 ZINC000928215641 635831435 /nfs/dbraw/zinc/83/14/35/635831435.db2.gz AWHDFDBMUQSNEP-WDEREUQCSA-N 1 2 246.314 1.350 20 30 BDEDLO N#CC[C@@H](NC(=O)C[NH+]1CCCC1)C(F)(F)F ZINC000928812060 636379982 /nfs/dbraw/zinc/37/99/82/636379982.db2.gz MPKFKNCLICLTPV-MRVPVSSYSA-N 1 2 249.236 1.043 20 30 BDEDLO C#C[C@@H]1CCCCN1c1cc(N(C)C)[nH+]cn1 ZINC000897360455 636421924 /nfs/dbraw/zinc/42/19/24/636421924.db2.gz HILCPPZIPOHFRM-LLVKDONJSA-N 1 2 230.315 1.535 20 30 BDEDLO C#C[C@@H]1CCCCN1c1cc(N(C)C)nc[nH+]1 ZINC000897360455 636421942 /nfs/dbraw/zinc/42/19/42/636421942.db2.gz HILCPPZIPOHFRM-LLVKDONJSA-N 1 2 230.315 1.535 20 30 BDEDLO C=CCCCN(CC)c1nc(C)[nH+]c(N)n1 ZINC000897399268 636587118 /nfs/dbraw/zinc/58/71/18/636587118.db2.gz GCFZQMRMYPFTMR-UHFFFAOYSA-N 1 2 221.308 1.555 20 30 BDEDLO C#C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC000897653640 636833719 /nfs/dbraw/zinc/83/37/19/636833719.db2.gz VIJQUJGFOJYRKX-GFCCVEGCSA-N 1 2 247.342 1.701 20 30 BDEDLO C#CCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907732 637064431 /nfs/dbraw/zinc/06/44/31/637064431.db2.gz XHRCHVNJEKTHTH-UHFFFAOYSA-N 1 2 233.315 1.538 20 30 BDEDLO Cc1c(C(=O)/C=C/c2c[nH+]cn2C)cnn1C ZINC000901487880 637256037 /nfs/dbraw/zinc/25/60/37/637256037.db2.gz BNKTUHURIBJNKJ-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ncnn2[C@H]1C ZINC000905085688 637585563 /nfs/dbraw/zinc/58/55/63/637585563.db2.gz PARWWPSTCNPGKF-HDPPJLHVSA-N 1 2 243.270 1.335 20 30 BDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1C1CC1)C(C)C ZINC000905747768 637897292 /nfs/dbraw/zinc/89/72/92/637897292.db2.gz CBJZAYABLHFWQI-ZDUSSCGKSA-N 1 2 248.370 1.935 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1C1CC1)C(C)C ZINC000905747768 637897294 /nfs/dbraw/zinc/89/72/94/637897294.db2.gz CBJZAYABLHFWQI-ZDUSSCGKSA-N 1 2 248.370 1.935 20 30 BDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@H]1C1CC1)C(C)C ZINC000905747767 637897539 /nfs/dbraw/zinc/89/75/39/637897539.db2.gz CBJZAYABLHFWQI-CYBMUJFWSA-N 1 2 248.370 1.935 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1C1CC1)C(C)C ZINC000905747767 637897545 /nfs/dbraw/zinc/89/75/45/637897545.db2.gz CBJZAYABLHFWQI-CYBMUJFWSA-N 1 2 248.370 1.935 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CC12CCC2)C(=O)OC ZINC000905775601 637907023 /nfs/dbraw/zinc/90/70/23/637907023.db2.gz BPBQTJJTMJCLPK-VHSXEESVSA-N 1 2 209.289 1.636 20 30 BDEDLO C#CC[C@@H](CCOC)[NH2+][C@@H](CC=C)C(=O)OC ZINC000905778146 637909229 /nfs/dbraw/zinc/90/92/29/637909229.db2.gz OVGVPCOIYOMJJU-RYUDHWBXSA-N 1 2 239.315 1.122 20 30 BDEDLO C=CCSCC[NH2+][C@H](CC=C)C(=O)OC ZINC000905761575 637915967 /nfs/dbraw/zinc/91/59/67/637915967.db2.gz HPHZALFXNHUNSD-SNVBAGLBSA-N 1 2 229.345 1.613 20 30 BDEDLO C=CC[C@H]([NH2+]CC(C)(C)OC)C(=O)OC ZINC000905761262 637917166 /nfs/dbraw/zinc/91/71/66/637917166.db2.gz NJFFALIIIVWROX-VIFPVBQESA-N 1 2 215.293 1.119 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H]1CCCCS1)C(=O)OC ZINC000905764395 637920460 /nfs/dbraw/zinc/92/04/60/637920460.db2.gz XQDNDBRQATVOOR-QWRGUYRKSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@@H]([NH2+]CCC1(F)CCC1)C(=O)OC ZINC000905768137 637923273 /nfs/dbraw/zinc/92/32/73/637923273.db2.gz SQMFJTGNJLKSEH-SNVBAGLBSA-N 1 2 229.295 1.976 20 30 BDEDLO C#CCN(C(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC000906270135 638122638 /nfs/dbraw/zinc/12/26/38/638122638.db2.gz VROPUGXYNZUAJF-UHFFFAOYSA-N 1 2 247.342 1.924 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000906287079 638132325 /nfs/dbraw/zinc/13/23/25/638132325.db2.gz ZYHGQTWREGVZRH-UHFFFAOYSA-N 1 2 206.293 1.621 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000906287079 638132331 /nfs/dbraw/zinc/13/23/31/638132331.db2.gz ZYHGQTWREGVZRH-UHFFFAOYSA-N 1 2 206.293 1.621 20 30 BDEDLO C=C(C)CNC(=O)CNc1cccc[nH+]1 ZINC000907521352 638396370 /nfs/dbraw/zinc/39/63/70/638396370.db2.gz YVBCATGTMNCHJC-UHFFFAOYSA-N 1 2 205.261 1.186 20 30 BDEDLO C#C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000908225756 638604318 /nfs/dbraw/zinc/60/43/18/638604318.db2.gz WKQFIYNCZYWJJP-JTQLQIEISA-N 1 2 219.288 1.116 20 30 BDEDLO CCc1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000930818383 639919061 /nfs/dbraw/zinc/91/90/61/639919061.db2.gz HCKPZDKZFUODMX-GFCCVEGCSA-N 1 2 235.287 1.087 20 30 BDEDLO CCc1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000930818383 639919066 /nfs/dbraw/zinc/91/90/66/639919066.db2.gz HCKPZDKZFUODMX-GFCCVEGCSA-N 1 2 235.287 1.087 20 30 BDEDLO C[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@](C)(C(F)F)O1 ZINC000931080075 640061041 /nfs/dbraw/zinc/06/10/41/640061041.db2.gz PMDPMHRICPVWJA-FXPVBKGRSA-N 1 2 248.273 1.005 20 30 BDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)C[C@](C)(C(F)F)O1 ZINC000931080075 640061046 /nfs/dbraw/zinc/06/10/46/640061046.db2.gz PMDPMHRICPVWJA-FXPVBKGRSA-N 1 2 248.273 1.005 20 30 BDEDLO C=CCCCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931235876 640107160 /nfs/dbraw/zinc/10/71/60/640107160.db2.gz JYIHEOHSPKJWLW-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C=CCCCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931235876 640107163 /nfs/dbraw/zinc/10/71/63/640107163.db2.gz JYIHEOHSPKJWLW-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000912983041 640260879 /nfs/dbraw/zinc/26/08/79/640260879.db2.gz SUKREDAVZVYMTI-GFCCVEGCSA-N 1 2 245.326 1.918 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148690 640441204 /nfs/dbraw/zinc/44/12/04/640441204.db2.gz RGNRZNLXDIKAMW-RYUDHWBXSA-N 1 2 248.326 1.708 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148690 640441208 /nfs/dbraw/zinc/44/12/08/640441208.db2.gz RGNRZNLXDIKAMW-RYUDHWBXSA-N 1 2 248.326 1.708 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030045791 640538395 /nfs/dbraw/zinc/53/83/95/640538395.db2.gz GMZAPJRMYNOLIX-UHFFFAOYSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2CCCCCC2)C1 ZINC001030150565 640633409 /nfs/dbraw/zinc/63/34/09/640633409.db2.gz VXUNHRPKYRBLHR-UHFFFAOYSA-N 1 2 248.370 1.781 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC001030198738 640675050 /nfs/dbraw/zinc/67/50/50/640675050.db2.gz PCSKSEAHWPDMKO-UHFFFAOYSA-N 1 2 244.285 1.408 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C=C2CCC2)C1 ZINC001030212349 640686479 /nfs/dbraw/zinc/68/64/79/640686479.db2.gz ZMHUNTIRXDNDJL-UHFFFAOYSA-N 1 2 206.289 1.083 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001030270854 640719998 /nfs/dbraw/zinc/71/99/98/640719998.db2.gz NDHVYRMOBWPMTK-UWVGGRQHSA-N 1 2 244.285 1.264 20 30 BDEDLO CCN(C#N)CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770154 640765173 /nfs/dbraw/zinc/76/51/73/640765173.db2.gz KQBXBYVGALRORB-UHFFFAOYSA-N 1 2 248.355 1.855 20 30 BDEDLO CCN(C#N)CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770154 640765179 /nfs/dbraw/zinc/76/51/79/640765179.db2.gz KQBXBYVGALRORB-UHFFFAOYSA-N 1 2 248.355 1.855 20 30 BDEDLO Oc1ccccc1/C=N\CC[NH+]1CCOCC1 ZINC000169486845 640854923 /nfs/dbraw/zinc/85/49/23/640854923.db2.gz RQCBAKUGXGHOGZ-KAMYIIQDSA-N 1 2 234.299 1.143 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001030510375 640891470 /nfs/dbraw/zinc/89/14/70/640891470.db2.gz RQLRPFFJVXERDK-ZDUSSCGKSA-N 1 2 246.354 1.557 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1ncnn1C(C)C ZINC000229959502 640996893 /nfs/dbraw/zinc/99/68/93/640996893.db2.gz XDGBATMLLHBXML-JTQLQIEISA-N 1 2 206.293 1.360 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1cccnc1)C(=O)OC ZINC000934225341 641104390 /nfs/dbraw/zinc/10/43/90/641104390.db2.gz BZHJHEKGBSMIGU-AAEUAGOBSA-N 1 2 248.326 1.720 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nc([C@H](C)OC)no1 ZINC000934466978 641161041 /nfs/dbraw/zinc/16/10/41/641161041.db2.gz WCNUJJJJYODWKP-UWVGGRQHSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc([C@H](C)OC)no1 ZINC000934466978 641161047 /nfs/dbraw/zinc/16/10/47/641161047.db2.gz WCNUJJJJYODWKP-UWVGGRQHSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC001030807041 641360073 /nfs/dbraw/zinc/36/00/73/641360073.db2.gz KKZGLYAEZSYAOK-NWDGAFQWSA-N 1 2 236.359 1.799 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001030806212 641361040 /nfs/dbraw/zinc/36/10/40/641361040.db2.gz YHROWFBPCIRSFD-ZDUSSCGKSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccnc2C)C1 ZINC001030875595 641394600 /nfs/dbraw/zinc/39/46/00/641394600.db2.gz VWYVISLJCOGWNL-UHFFFAOYSA-N 1 2 245.326 1.380 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001030910076 641417131 /nfs/dbraw/zinc/41/71/31/641417131.db2.gz LNMOOLWAGVSJBL-OCCSQVGLSA-N 1 2 248.370 1.636 20 30 BDEDLO CC1(C#N)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935773025 641478798 /nfs/dbraw/zinc/47/87/98/641478798.db2.gz JRXYZBHTTBJEKC-UHFFFAOYSA-N 1 2 240.266 1.549 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001031167441 641760509 /nfs/dbraw/zinc/76/05/09/641760509.db2.gz CSDNGJZRUFYHBF-OLZOCXBDSA-N 1 2 236.359 1.655 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]c(C)cc2C)CC1 ZINC000948892253 641832484 /nfs/dbraw/zinc/83/24/84/641832484.db2.gz HDSOOVBQRDNOJA-UHFFFAOYSA-N 1 2 247.342 1.575 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000948978476 641835798 /nfs/dbraw/zinc/83/57/98/641835798.db2.gz KVJZEJNKTGQSTD-MGPQQGTHSA-N 1 2 248.370 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CC2(C)CC2)CC1 ZINC000949347897 641837720 /nfs/dbraw/zinc/83/77/20/641837720.db2.gz MYNQEFIVPQLCJN-UHFFFAOYSA-N 1 2 222.332 1.507 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC2(C)C)C1 ZINC000949909075 641873487 /nfs/dbraw/zinc/87/34/87/641873487.db2.gz AUFZPNYRIRRLAM-LBPRGKRZSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000950373336 641917312 /nfs/dbraw/zinc/91/73/12/641917312.db2.gz SKCCSGMZDNYSLD-UHFFFAOYSA-N 1 2 246.301 1.608 20 30 BDEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCOCC2)cc1 ZINC000154496551 642110668 /nfs/dbraw/zinc/11/06/68/642110668.db2.gz SADSLBROYCRIHP-LBPRGKRZSA-N 1 2 246.310 1.810 20 30 BDEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(N)nc1)C1CC1 ZINC000930085543 642358151 /nfs/dbraw/zinc/35/81/51/642358151.db2.gz ADAFISQPEVXODM-JTQLQIEISA-N 1 2 230.315 1.788 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(N)nc1)C1CC1 ZINC000930085543 642358156 /nfs/dbraw/zinc/35/81/56/642358156.db2.gz ADAFISQPEVXODM-JTQLQIEISA-N 1 2 230.315 1.788 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnnn2CCCC)C1 ZINC000847024855 642410103 /nfs/dbraw/zinc/41/01/03/642410103.db2.gz ABERVVNEZITUIY-LBPRGKRZSA-N 1 2 247.346 1.318 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnnn2CCCC)C1 ZINC000847024855 642410111 /nfs/dbraw/zinc/41/01/11/642410111.db2.gz ABERVVNEZITUIY-LBPRGKRZSA-N 1 2 247.346 1.318 20 30 BDEDLO CC(C)C[N@H+](CCC#N)C[C@H](O)C(F)(F)F ZINC000068876988 642805306 /nfs/dbraw/zinc/80/53/06/642805306.db2.gz BGXCKAUYXNNAFH-VIFPVBQESA-N 1 2 238.253 1.781 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)C[C@H](O)C(F)(F)F ZINC000068876988 642805308 /nfs/dbraw/zinc/80/53/08/642805308.db2.gz BGXCKAUYXNNAFH-VIFPVBQESA-N 1 2 238.253 1.781 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001010221616 642855426 /nfs/dbraw/zinc/85/54/26/642855426.db2.gz WYLVGAZKKVAXTI-JTQLQIEISA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001010221616 642855428 /nfs/dbraw/zinc/85/54/28/642855428.db2.gz WYLVGAZKKVAXTI-JTQLQIEISA-N 1 2 230.739 1.585 20 30 BDEDLO C=CCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181631243 642890988 /nfs/dbraw/zinc/89/09/88/642890988.db2.gz CIGCBCSOWOIKFQ-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001017293623 642969427 /nfs/dbraw/zinc/96/94/27/642969427.db2.gz UDVRIRRHRWGBRF-PHIMTYICSA-N 1 2 240.322 1.596 20 30 BDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001017293623 642969435 /nfs/dbraw/zinc/96/94/35/642969435.db2.gz UDVRIRRHRWGBRF-PHIMTYICSA-N 1 2 240.322 1.596 20 30 BDEDLO C=C(Br)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000306150279 643305828 /nfs/dbraw/zinc/30/58/28/643305828.db2.gz FGVVKFNYCIXTAZ-VIFPVBQESA-N 1 2 248.164 1.988 20 30 BDEDLO C=C(Br)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000306150279 643305831 /nfs/dbraw/zinc/30/58/31/643305831.db2.gz FGVVKFNYCIXTAZ-VIFPVBQESA-N 1 2 248.164 1.988 20 30 BDEDLO CCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000082539834 643338250 /nfs/dbraw/zinc/33/82/50/643338250.db2.gz HUEHRIXWKSOXKQ-UHFFFAOYSA-N 1 2 224.260 1.361 20 30 BDEDLO C#CCC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000768141684 643457602 /nfs/dbraw/zinc/45/76/02/643457602.db2.gz AFQDLPXYGSZGOZ-UHFFFAOYSA-N 1 2 231.299 1.316 20 30 BDEDLO N#C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000921537834 643592279 /nfs/dbraw/zinc/59/22/79/643592279.db2.gz OFNWXFBHJCAQGF-LLVKDONJSA-N 1 2 232.287 1.151 20 30 BDEDLO CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004314411 644070453 /nfs/dbraw/zinc/07/04/53/644070453.db2.gz YLHJSHQSNCGUDU-ZDUSSCGKSA-N 1 2 249.358 1.623 20 30 BDEDLO CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004314411 644070458 /nfs/dbraw/zinc/07/04/58/644070458.db2.gz YLHJSHQSNCGUDU-ZDUSSCGKSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922853629 644121009 /nfs/dbraw/zinc/12/10/09/644121009.db2.gz FWSGAFQAZGWLEC-QMMMGPOBSA-N 1 2 219.244 1.257 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000951175849 644202176 /nfs/dbraw/zinc/20/21/76/644202176.db2.gz AGLQMRLSWIKMSX-OLZOCXBDSA-N 1 2 236.359 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccco2)CC1 ZINC000952356841 644375323 /nfs/dbraw/zinc/37/53/23/644375323.db2.gz GOWCWMCQROYERS-UHFFFAOYSA-N 1 2 234.299 1.152 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000957125610 644687094 /nfs/dbraw/zinc/68/70/94/644687094.db2.gz WNRHGSFLXAJQRL-UHFFFAOYSA-N 1 2 248.370 1.753 20 30 BDEDLO C=CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831732234 645130426 /nfs/dbraw/zinc/13/04/26/645130426.db2.gz FGRONYVTKFMSRQ-JTQLQIEISA-N 1 2 221.304 1.813 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000832291808 645133371 /nfs/dbraw/zinc/13/33/71/645133371.db2.gz QPYMJSQGZNSHLK-YUMQZZPRSA-N 1 2 243.656 1.984 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000832291808 645133386 /nfs/dbraw/zinc/13/33/86/645133386.db2.gz QPYMJSQGZNSHLK-YUMQZZPRSA-N 1 2 243.656 1.984 20 30 BDEDLO C=CCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845448331 645362745 /nfs/dbraw/zinc/36/27/45/645362745.db2.gz IPHZJJFCOGXNJM-UHFFFAOYSA-N 1 2 234.299 1.881 20 30 BDEDLO C=C(Cl)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845570771 645366325 /nfs/dbraw/zinc/36/63/25/645366325.db2.gz KBOIITNPCKULMJ-VIFPVBQESA-N 1 2 227.695 1.703 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC(=O)CC12CCC2 ZINC000847004355 645413419 /nfs/dbraw/zinc/41/34/19/645413419.db2.gz WJRZGMNQYMYJSF-NSHDSACASA-N 1 2 236.315 1.503 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC(=O)CC12CCC2 ZINC000847004355 645413427 /nfs/dbraw/zinc/41/34/27/645413427.db2.gz WJRZGMNQYMYJSF-NSHDSACASA-N 1 2 236.315 1.503 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000847017555 645418002 /nfs/dbraw/zinc/41/80/02/645418002.db2.gz COBKCFQEXIAILJ-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000847017555 645418011 /nfs/dbraw/zinc/41/80/11/645418011.db2.gz COBKCFQEXIAILJ-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430759 645479410 /nfs/dbraw/zinc/47/94/10/645479410.db2.gz BINQTYIFJOMQMS-SECBINFHSA-N 1 2 230.695 1.265 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430759 645479433 /nfs/dbraw/zinc/47/94/33/645479433.db2.gz BINQTYIFJOMQMS-SECBINFHSA-N 1 2 230.695 1.265 20 30 BDEDLO C#CCCOC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000859194761 645676324 /nfs/dbraw/zinc/67/63/24/645676324.db2.gz SLKOQPFOICNGFS-UHFFFAOYSA-N 1 2 232.283 1.948 20 30 BDEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000928210754 645711401 /nfs/dbraw/zinc/71/14/01/645711401.db2.gz AVUMJLLCUDXJFQ-HBNTYKKESA-N 1 2 244.298 1.275 20 30 BDEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000928210754 645711419 /nfs/dbraw/zinc/71/14/19/645711419.db2.gz AVUMJLLCUDXJFQ-HBNTYKKESA-N 1 2 244.298 1.275 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878705315 645823443 /nfs/dbraw/zinc/82/34/43/645823443.db2.gz UQFLAVVBRWTUAX-CHWSQXEVSA-N 1 2 237.343 1.668 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878705315 645823446 /nfs/dbraw/zinc/82/34/46/645823446.db2.gz UQFLAVVBRWTUAX-CHWSQXEVSA-N 1 2 237.343 1.668 20 30 BDEDLO CCOCCO[NH+]=C(N)Cc1ccccc1 ZINC000127786983 645828998 /nfs/dbraw/zinc/82/89/98/645828998.db2.gz OEFNZLKTQGPAFY-UHFFFAOYSA-N 1 2 222.288 1.554 20 30 BDEDLO C[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)CC#N ZINC000929254374 646035676 /nfs/dbraw/zinc/03/56/76/646035676.db2.gz JKCNFRNJXNDZJN-LLVKDONJSA-N 1 2 240.253 1.671 20 30 BDEDLO C[N@H+](Cc1ccc(F)cc1F)C[C@H](O)CC#N ZINC000929254374 646035679 /nfs/dbraw/zinc/03/56/79/646035679.db2.gz JKCNFRNJXNDZJN-LLVKDONJSA-N 1 2 240.253 1.671 20 30 BDEDLO C[N@H+](CC(N)=O)Cc1cc(Cl)cc(C#N)c1 ZINC000929260365 646042480 /nfs/dbraw/zinc/04/24/80/646042480.db2.gz BKKNZJTVUQVIQU-UHFFFAOYSA-N 1 2 237.690 1.129 20 30 BDEDLO C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(C#N)c1 ZINC000929260365 646042484 /nfs/dbraw/zinc/04/24/84/646042484.db2.gz BKKNZJTVUQVIQU-UHFFFAOYSA-N 1 2 237.690 1.129 20 30 BDEDLO CC(C)C[N@H+](CCC#N)C[C@H](O)CC#N ZINC000929688771 646242934 /nfs/dbraw/zinc/24/29/34/646242934.db2.gz WAZJSQALHKMJJE-LLVKDONJSA-N 1 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241.331 1.197 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc[nH+]cc1F ZINC000716399526 712558605 /nfs/dbraw/zinc/55/86/05/712558605.db2.gz ROQZHPKFNFOCFO-VIFPVBQESA-N 1 2 208.236 1.093 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000379928032 712631460 /nfs/dbraw/zinc/63/14/60/712631460.db2.gz UVEXNHZYTQEXDW-QWRGUYRKSA-N 1 2 207.277 1.151 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000379928032 712631461 /nfs/dbraw/zinc/63/14/61/712631461.db2.gz UVEXNHZYTQEXDW-QWRGUYRKSA-N 1 2 207.277 1.151 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](CCC(=O)C2CC2)C1 ZINC000932151677 712715574 /nfs/dbraw/zinc/71/55/74/712715574.db2.gz DZEFVQPHNCPJQQ-SNVBAGLBSA-N 1 2 206.289 1.591 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CCC(=O)C2CC2)C1 ZINC000932151677 712715575 /nfs/dbraw/zinc/71/55/75/712715575.db2.gz DZEFVQPHNCPJQQ-SNVBAGLBSA-N 1 2 206.289 1.591 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001038406064 710685833 /nfs/dbraw/zinc/68/58/33/710685833.db2.gz BLWUOUJMBOKCAI-STQMWFEESA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001038406064 710685837 /nfs/dbraw/zinc/68/58/37/710685837.db2.gz BLWUOUJMBOKCAI-STQMWFEESA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001038615969 710700214 /nfs/dbraw/zinc/70/02/14/710700214.db2.gz RXNZGJFCRFOOQJ-NEPJUHHUSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001038615969 710700217 /nfs/dbraw/zinc/70/02/17/710700217.db2.gz RXNZGJFCRFOOQJ-NEPJUHHUSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(C)c1 ZINC001038813034 710708464 /nfs/dbraw/zinc/70/84/64/710708464.db2.gz TXYANHVGJHRUFM-LBPRGKRZSA-N 1 2 248.351 1.494 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(C)c1 ZINC001038813034 710708465 /nfs/dbraw/zinc/70/84/65/710708465.db2.gz TXYANHVGJHRUFM-LBPRGKRZSA-N 1 2 248.351 1.494 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccoc2)C1 ZINC001042478692 710786348 /nfs/dbraw/zinc/78/63/48/710786348.db2.gz UNQSZBYEHDAAON-UHFFFAOYSA-N 1 2 232.283 1.059 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CCC2)C1 ZINC001042565454 710792752 /nfs/dbraw/zinc/79/27/52/710792752.db2.gz YSCLLIVOJNRMCZ-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001043810018 710814408 /nfs/dbraw/zinc/81/44/08/710814408.db2.gz UFVHXYSJDXCXCC-DGCLKSJQSA-N 1 2 236.359 1.751 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001043826027 710814864 /nfs/dbraw/zinc/81/48/64/710814864.db2.gz KUGGQNMLSOPXMW-UHFFFAOYSA-N 1 2 248.370 1.895 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@]2(C)CC)C1 ZINC001044116352 710819748 /nfs/dbraw/zinc/81/97/48/710819748.db2.gz JORLLEZRMPISSW-TZMCWYRMSA-N 1 2 236.359 1.751 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2[nH]cnc2C)C1 ZINC001044377627 710824989 /nfs/dbraw/zinc/82/49/89/710824989.db2.gz MVZPFMRGFFYHKG-UHFFFAOYSA-N 1 2 248.330 1.050 20 30 BDEDLO Cn1ccc(C[NH2+]Cc2cc(C#N)ccc2F)n1 ZINC000097604784 711458865 /nfs/dbraw/zinc/45/88/65/711458865.db2.gz NHPDOOWMWDQOET-UHFFFAOYSA-N 1 2 244.273 1.721 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccs1 ZINC001038036230 711470627 /nfs/dbraw/zinc/47/06/27/711470627.db2.gz PUXDSTWBEHDOBD-LLVKDONJSA-N 1 2 248.351 1.576 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccs1 ZINC001038036230 711470628 /nfs/dbraw/zinc/47/06/28/711470628.db2.gz PUXDSTWBEHDOBD-LLVKDONJSA-N 1 2 248.351 1.576 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000134158309 711488574 /nfs/dbraw/zinc/48/85/74/711488574.db2.gz BBASQLLDMOYFQQ-SNVBAGLBSA-N 1 2 230.739 1.730 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000134158309 711488577 /nfs/dbraw/zinc/48/85/77/711488577.db2.gz BBASQLLDMOYFQQ-SNVBAGLBSA-N 1 2 230.739 1.730 20 30 BDEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052073328 711603274 /nfs/dbraw/zinc/60/32/74/711603274.db2.gz PUWQMKGSTUUTHW-LLVKDONJSA-N 1 2 248.301 1.568 20 30 BDEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000052073328 711603276 /nfs/dbraw/zinc/60/32/76/711603276.db2.gz PUWQMKGSTUUTHW-LLVKDONJSA-N 1 2 248.301 1.568 20 30 BDEDLO C=CCC[N@@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000894531873 711771625 /nfs/dbraw/zinc/77/16/25/711771625.db2.gz GNMWHMLVLFJFNT-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO C=CCC[N@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000894531873 711771626 /nfs/dbraw/zinc/77/16/26/711771626.db2.gz GNMWHMLVLFJFNT-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO C=C(Cl)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896452747 711782126 /nfs/dbraw/zinc/78/21/26/711782126.db2.gz OXCKPJHPTKVHHX-UHFFFAOYSA-N 1 2 241.722 1.795 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038051973 711818082 /nfs/dbraw/zinc/81/80/82/711818082.db2.gz HWVOJZAIHXSHAF-OLZOCXBDSA-N 1 2 232.327 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038051973 711818083 /nfs/dbraw/zinc/81/80/83/711818083.db2.gz HWVOJZAIHXSHAF-OLZOCXBDSA-N 1 2 232.327 1.166 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001038056072 711822663 /nfs/dbraw/zinc/82/26/63/711822663.db2.gz NCJTWVAQKVWJAN-LBPRGKRZSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001038056072 711822664 /nfs/dbraw/zinc/82/26/64/711822664.db2.gz NCJTWVAQKVWJAN-LBPRGKRZSA-N 1 2 246.310 1.334 20 30 BDEDLO C#CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC000922216653 711960231 /nfs/dbraw/zinc/96/02/31/711960231.db2.gz VUMNORKEKMDIRE-UHFFFAOYSA-N 1 2 231.299 1.323 20 30 BDEDLO COc1cncc(C[NH2+]C[C@H](C)C#N)c1 ZINC000700091340 711986253 /nfs/dbraw/zinc/98/62/53/711986253.db2.gz GMGXCLAVDOBDCY-SECBINFHSA-N 1 2 205.261 1.339 20 30 BDEDLO CC[N@H+](CC(=O)OC)Cc1ccc(C)c(C#N)c1 ZINC000701858438 712031267 /nfs/dbraw/zinc/03/12/67/712031267.db2.gz SEPHRWZODQHISO-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C)c(C#N)c1 ZINC000701858438 712031268 /nfs/dbraw/zinc/03/12/68/712031268.db2.gz SEPHRWZODQHISO-UHFFFAOYSA-N 1 2 246.310 1.862 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CC2(CO1)CCOCC2 ZINC000712686557 712440233 /nfs/dbraw/zinc/44/02/33/712440233.db2.gz DLHHXNPNWWSZJX-GFCCVEGCSA-N 1 2 238.331 1.418 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CC2(CO1)CCOCC2 ZINC000712686557 712440235 /nfs/dbraw/zinc/44/02/35/712440235.db2.gz DLHHXNPNWWSZJX-GFCCVEGCSA-N 1 2 238.331 1.418 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715407211 712516980 /nfs/dbraw/zinc/51/69/80/712516980.db2.gz MSUNLFHFTNRQRD-RYUDHWBXSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2nonc2C)CC1 ZINC000717395517 712653860 /nfs/dbraw/zinc/65/38/60/712653860.db2.gz CZCPGHLXJKFPAG-UHFFFAOYSA-N 1 2 237.303 1.281 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2cnns2)CC1 ZINC000717395470 712653949 /nfs/dbraw/zinc/65/39/49/712653949.db2.gz BVDYTHUBKJARRZ-UHFFFAOYSA-N 1 2 239.344 1.441 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2nccc(C)n2)CC1 ZINC000717404201 712655583 /nfs/dbraw/zinc/65/55/83/712655583.db2.gz CPNWEAPNTHITAV-UHFFFAOYSA-N 1 2 247.342 1.688 20 30 BDEDLO C#CCC[C@@H](O)CNc1[nH+]cccc1OC ZINC000717903643 712732612 /nfs/dbraw/zinc/73/26/12/712732612.db2.gz LPAKCTVKEWDUOU-SNVBAGLBSA-N 1 2 220.272 1.276 20 30 BDEDLO C=CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248008519 721863687 /nfs/dbraw/zinc/86/36/87/721863687.db2.gz QJSSOHWYRIKOEC-UHFFFAOYSA-N 1 2 228.299 1.261 20 30 BDEDLO C=CC[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC001165032413 721869032 /nfs/dbraw/zinc/86/90/32/721869032.db2.gz REGQGTAHIKRNGB-UHFFFAOYSA-N 1 2 246.289 1.400 20 30 BDEDLO C=CC[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724742823 959355067 /nfs/dbraw/zinc/35/50/67/959355067.db2.gz CLILFXSBEWDIEO-UWVGGRQHSA-N 1 2 246.301 1.784 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CCCCC)C1 ZINC001268246597 961476985 /nfs/dbraw/zinc/47/69/85/961476985.db2.gz WXUWBKSEHBZJJN-UHFFFAOYSA-N 1 2 224.348 1.943 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@](C)(C=C)CC)C1 ZINC001269842648 962802803 /nfs/dbraw/zinc/80/28/03/962802803.db2.gz CJFPXKAUUYYKHW-OAHLLOKOSA-N 1 2 248.370 1.755 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(C2CC2)nc1 ZINC001203523066 966676277 /nfs/dbraw/zinc/67/62/77/966676277.db2.gz XAVNGTHZSHKSSI-VIFPVBQESA-N 1 2 216.288 1.746 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001252548997 968786489 /nfs/dbraw/zinc/78/64/89/968786489.db2.gz YOZURCNVJWZFTG-VHSXEESVSA-N 1 2 235.274 1.015 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001252548997 968786497 /nfs/dbraw/zinc/78/64/97/968786497.db2.gz YOZURCNVJWZFTG-VHSXEESVSA-N 1 2 235.274 1.015 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC001252579559 968833146 /nfs/dbraw/zinc/83/31/46/968833146.db2.gz WOBTYKARJNRMLO-CYBMUJFWSA-N 1 2 243.347 1.633 20 30 BDEDLO C=CCC[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252593341 968851038 /nfs/dbraw/zinc/85/10/38/968851038.db2.gz GUGMGQQJKBECRU-ZYHUDNBSSA-N 1 2 236.315 1.874 20 30 BDEDLO C#CC[NH+]1CCN(C[C@@H](C)C(F)(F)F)CC1 ZINC001208905759 969294640 /nfs/dbraw/zinc/29/46/40/969294640.db2.gz QRFMAPOQLSKHRZ-SNVBAGLBSA-N 1 2 234.265 1.436 20 30 BDEDLO C[N@@H+]1CCC[C@@H](NCc2ncc(C#N)s2)C1 ZINC001255475735 970206499 /nfs/dbraw/zinc/20/64/99/970206499.db2.gz UXMCAIBXILLPMT-SECBINFHSA-N 1 2 236.344 1.199 20 30 BDEDLO C[N@H+]1CCC[C@@H](NCc2ncc(C#N)s2)C1 ZINC001255475735 970206504 /nfs/dbraw/zinc/20/65/04/970206504.db2.gz UXMCAIBXILLPMT-SECBINFHSA-N 1 2 236.344 1.199 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC001113388882 970425886 /nfs/dbraw/zinc/42/58/86/970425886.db2.gz WSBRKJWSKMLCBA-UHFFFAOYSA-N 1 2 236.359 1.919 20 30 BDEDLO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](C#N)C2)C1 ZINC001256037807 970622955 /nfs/dbraw/zinc/62/29/55/970622955.db2.gz JIKMPUYQHATPKB-WDEREUQCSA-N 1 2 237.303 1.063 20 30 BDEDLO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](C#N)C2)C1 ZINC001256037807 970622962 /nfs/dbraw/zinc/62/29/62/970622962.db2.gz JIKMPUYQHATPKB-WDEREUQCSA-N 1 2 237.303 1.063 20 30 BDEDLO C=CC[NH+]1CCN(Cc2nnc(C)s2)CC1 ZINC001232245633 977975016 /nfs/dbraw/zinc/97/50/16/977975016.db2.gz KVGNHQGMHJPMFD-UHFFFAOYSA-N 1 2 238.360 1.150 20 30 BDEDLO Cc1nnn([NH+]=C[C@H]2CCCOCC2)c1C ZINC001336981884 978101540 /nfs/dbraw/zinc/10/15/40/978101540.db2.gz MECRSSOSQFFSFR-NSHDSACASA-N 1 2 222.292 1.546 20 30 BDEDLO N#CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC001179772117 978748056 /nfs/dbraw/zinc/74/80/56/978748056.db2.gz WHZNEUDCELIDSN-UHFFFAOYSA-N 1 2 202.261 1.357 20 30 BDEDLO C#CCN1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC001236592467 979671292 /nfs/dbraw/zinc/67/12/92/979671292.db2.gz APKVFSJOXJMIBU-UHFFFAOYSA-N 1 2 233.315 1.042 20 30 BDEDLO Cc1c[nH+]c(C)c(-n2cnc(C#N)c2N)c1 ZINC001203656658 980490671 /nfs/dbraw/zinc/49/06/71/980490671.db2.gz ZJGADOKMWIMHAX-UHFFFAOYSA-N 1 2 213.244 1.338 20 30 BDEDLO C=CCOCC(=O)Nc1c(C)c[nH+]cc1C ZINC001584251692 981860640 /nfs/dbraw/zinc/86/06/40/981860640.db2.gz RKUJAIKNAKOTJN-UHFFFAOYSA-N 1 2 220.272 1.261 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001588663362 983794564 /nfs/dbraw/zinc/79/45/64/983794564.db2.gz LSHOKKKAUPJMBI-GHMZBOCLSA-N 1 2 226.320 1.088 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001588663362 983794568 /nfs/dbraw/zinc/79/45/68/983794568.db2.gz LSHOKKKAUPJMBI-GHMZBOCLSA-N 1 2 226.320 1.088 20 30 BDEDLO Cc1ccc(CC[NH+]2CC(O)(CC#N)C2)cc1 ZINC001331674281 974784649 /nfs/dbraw/zinc/78/46/49/974784649.db2.gz NWRBAKPQJWFWTD-UHFFFAOYSA-N 1 2 230.311 1.498 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(C#N)CC1 ZINC001256953856 971025048 /nfs/dbraw/zinc/02/50/48/971025048.db2.gz PXZDQQBYFISIQU-RTBKNWGFSA-N 1 2 242.344 1.130 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001136637901 972219499 /nfs/dbraw/zinc/21/94/99/972219499.db2.gz HLNMQNPNTIWBIG-GRYCIOLGSA-N 1 2 244.298 1.206 20 30 BDEDLO SCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC001171000995 972225552 /nfs/dbraw/zinc/22/55/52/972225552.db2.gz MPGMPAKZNHKNGD-UHFFFAOYSA-N 1 2 238.360 1.809 20 30 BDEDLO SCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC001171000995 972225554 /nfs/dbraw/zinc/22/55/54/972225554.db2.gz MPGMPAKZNHKNGD-UHFFFAOYSA-N 1 2 238.360 1.809 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000316653172 972287489 /nfs/dbraw/zinc/28/74/89/972287489.db2.gz WBYDWJCYHKBHQH-VIFPVBQESA-N 1 2 222.292 1.257 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000316653172 972287495 /nfs/dbraw/zinc/28/74/95/972287495.db2.gz WBYDWJCYHKBHQH-VIFPVBQESA-N 1 2 222.292 1.257 20 30 BDEDLO C=CC1CCN(c2cc(N)nc[nH+]2)CC1 ZINC000706661798 958136639 /nfs/dbraw/zinc/13/66/39/958136639.db2.gz LXGIJOYIXMQVBK-UHFFFAOYSA-N 1 2 204.277 1.461 20 30 BDEDLO N#C[C@@H]1CC[C@@H](OCCn2cc[nH+]c2)C1 ZINC001222129234 972378231 /nfs/dbraw/zinc/37/82/31/972378231.db2.gz MYJUWARTVNVXSK-GHMZBOCLSA-N 1 2 205.261 1.592 20 30 BDEDLO C=C(C)C(=O)OC[C@H](C)OCCn1cc[nH+]c1 ZINC001222134560 972384113 /nfs/dbraw/zinc/38/41/13/972384113.db2.gz GBUITNXNWFSAIP-NSHDSACASA-N 1 2 238.287 1.408 20 30 BDEDLO C#C[C@H](CC(C)C)OCCn1cc[nH+]c1 ZINC001222139770 972389766 /nfs/dbraw/zinc/38/97/66/972389766.db2.gz WXRHEXBGMKCRRB-GFCCVEGCSA-N 1 2 206.289 1.948 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001327125999 972424810 /nfs/dbraw/zinc/42/48/10/972424810.db2.gz BHWJAZHUGWBFBA-NWDGAFQWSA-N 1 2 231.299 1.316 20 30 BDEDLO O=C(CCS)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001143986694 972444528 /nfs/dbraw/zinc/44/45/28/972444528.db2.gz WSNGRZARUHIWKZ-VIFPVBQESA-N 1 2 239.344 1.436 20 30 BDEDLO C=CC[C@H](C)C(=O)N(CC)C1C[NH+](C)C1 ZINC001144018255 972481861 /nfs/dbraw/zinc/48/18/61/972481861.db2.gz QWXHJXLUNDFLCA-JTQLQIEISA-N 1 2 210.321 1.361 20 30 BDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](F)CC)C1 ZINC001267687340 960202632 /nfs/dbraw/zinc/20/26/32/960202632.db2.gz CBNSZEBIIKEEKL-JTQLQIEISA-N 1 2 248.729 1.535 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001144029010 972509239 /nfs/dbraw/zinc/50/92/39/972509239.db2.gz OTUIHEVKYFXRPK-SNVBAGLBSA-N 1 2 221.304 1.291 20 30 BDEDLO C#CCCCCC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001481555086 961188789 /nfs/dbraw/zinc/18/87/89/961188789.db2.gz MEZYJYREKGJPKR-UHFFFAOYSA-N 1 2 248.370 1.947 20 30 BDEDLO C=C(C)CCC(=O)NCC1C[NH+](CCF)C1 ZINC001481627607 961354341 /nfs/dbraw/zinc/35/43/41/961354341.db2.gz VYMLTBTYRIJPCY-UHFFFAOYSA-N 1 2 228.311 1.360 20 30 BDEDLO C=CCCC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001268258078 961504326 /nfs/dbraw/zinc/50/43/26/961504326.db2.gz WJCUNBIOHJPXJY-UHFFFAOYSA-N 1 2 240.347 1.178 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCC ZINC001481667124 961536996 /nfs/dbraw/zinc/53/69/96/961536996.db2.gz KOIDTRUQQWVZQG-AVGNSLFASA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCC ZINC001481667124 961537020 /nfs/dbraw/zinc/53/70/20/961537020.db2.gz KOIDTRUQQWVZQG-AVGNSLFASA-N 1 2 234.343 1.341 20 30 BDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccccc1C#N)C2 ZINC001269401491 962656352 /nfs/dbraw/zinc/65/63/52/962656352.db2.gz XHEZBUNLHOBUHQ-UHFFFAOYSA-N 1 2 241.294 1.088 20 30 BDEDLO C[N@H+]1CCC12CN(C(=O)c1ccccc1C#N)C2 ZINC001269401491 962656359 /nfs/dbraw/zinc/65/63/59/962656359.db2.gz XHEZBUNLHOBUHQ-UHFFFAOYSA-N 1 2 241.294 1.088 20 30 BDEDLO N#Cc1cc(NCCCn2cc[nH+]c2)cnc1F ZINC001161688445 963223604 /nfs/dbraw/zinc/22/36/04/963223604.db2.gz RROUWEUOBJAUDV-UHFFFAOYSA-N 1 2 245.261 1.791 20 30 BDEDLO CC(C)Oc1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156320084 963310091 /nfs/dbraw/zinc/31/00/91/963310091.db2.gz PXAUASJCGUXKBB-NSHDSACASA-N 1 2 246.314 1.171 20 30 BDEDLO CC(C)(C)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncn1 ZINC001156327781 963311115 /nfs/dbraw/zinc/31/11/15/963311115.db2.gz LOAMHVMLVZCZGF-JTQLQIEISA-N 1 2 245.330 1.076 20 30 BDEDLO CN1C[C@H](Nc2cc(CC#N)cc[nH+]2)CCC1=O ZINC001156567734 963385483 /nfs/dbraw/zinc/38/54/83/963385483.db2.gz LESPJQWWOPSQAJ-LLVKDONJSA-N 1 2 244.298 1.180 20 30 BDEDLO Cc1[nH]c(CNC(=O)CCCC#N)[nH+]c1C ZINC000896910071 963521428 /nfs/dbraw/zinc/52/14/28/963521428.db2.gz LECNBIKDUVTXMZ-UHFFFAOYSA-N 1 2 220.276 1.337 20 30 BDEDLO C#CCN(CC#C)c1nc(N2CCCC2)cc[nH+]1 ZINC001157559224 963660867 /nfs/dbraw/zinc/66/08/67/963660867.db2.gz VMIJEJKWQIXRKD-UHFFFAOYSA-N 1 2 240.310 1.150 20 30 BDEDLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)ncc1C#N ZINC001158699921 963903753 /nfs/dbraw/zinc/90/37/53/963903753.db2.gz BFNLHMNJPIYJOX-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)ncc1C#N ZINC001158699921 963903757 /nfs/dbraw/zinc/90/37/57/963903757.db2.gz BFNLHMNJPIYJOX-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO C=C[C@@H](CO)Nc1nc(C)[nH+]c2c1CCC2 ZINC001158818308 963933064 /nfs/dbraw/zinc/93/30/64/963933064.db2.gz YFDZFPYGJZHGAW-VIFPVBQESA-N 1 2 219.288 1.233 20 30 BDEDLO N#CCc1cc(NC(=N)c2nccs2)cc[nH+]1 ZINC001168280479 964325675 /nfs/dbraw/zinc/32/56/75/964325675.db2.gz HBAVXMNYILOTNU-UHFFFAOYSA-N 1 2 243.295 1.464 20 30 BDEDLO CC(=O)NC[C@H](C)CNc1cc(CC#N)cc[nH+]1 ZINC001160654876 964380255 /nfs/dbraw/zinc/38/02/55/964380255.db2.gz CIIUHPCNHZVDKA-JTQLQIEISA-N 1 2 246.314 1.332 20 30 BDEDLO CCC1(CNc2[nH+]cccc2CC#N)COC1 ZINC001168326318 964454397 /nfs/dbraw/zinc/45/43/97/964454397.db2.gz DFTYWRARDQFGQT-UHFFFAOYSA-N 1 2 231.299 1.986 20 30 BDEDLO Cn1cnc(C#N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213029020 964503561 /nfs/dbraw/zinc/50/35/61/964503561.db2.gz DWOOKJOKSVBDSG-UHFFFAOYSA-N 1 2 238.254 1.912 20 30 BDEDLO CCCC[N@H+](CC(N)=O)Cc1cc(C#N)ccn1 ZINC001307413318 964549163 /nfs/dbraw/zinc/54/91/63/964549163.db2.gz MBYCZESEFSPHCP-UHFFFAOYSA-N 1 2 246.314 1.041 20 30 BDEDLO CCCC[N@@H+](CC(N)=O)Cc1cc(C#N)ccn1 ZINC001307413318 964549171 /nfs/dbraw/zinc/54/91/71/964549171.db2.gz MBYCZESEFSPHCP-UHFFFAOYSA-N 1 2 246.314 1.041 20 30 BDEDLO N#CC1(Nc2[nH+]ccc3c2CCN3)CCC1 ZINC001162308423 964921401 /nfs/dbraw/zinc/92/14/01/964921401.db2.gz HAZHFMCXCRCQPV-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO N#CCc1ccc(NC[C@H]2CCNC(=O)C2)[nH+]c1 ZINC001162324919 964931227 /nfs/dbraw/zinc/93/12/27/964931227.db2.gz QNCQSIALGJUDJQ-NSHDSACASA-N 1 2 244.298 1.086 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001483636159 965321632 /nfs/dbraw/zinc/32/16/32/965321632.db2.gz QQVKFGARKGCUGT-DSDFTUOUSA-N 1 2 220.316 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001483636159 965321647 /nfs/dbraw/zinc/32/16/47/965321647.db2.gz QQVKFGARKGCUGT-DSDFTUOUSA-N 1 2 220.316 1.166 20 30 BDEDLO CC(=O)C[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232673674 965395713 /nfs/dbraw/zinc/39/57/13/965395713.db2.gz KVJVIGCBOQWHAP-UHFFFAOYSA-N 1 2 218.256 1.285 20 30 BDEDLO CC(=O)C[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232673674 965395725 /nfs/dbraw/zinc/39/57/25/965395725.db2.gz KVJVIGCBOQWHAP-UHFFFAOYSA-N 1 2 218.256 1.285 20 30 BDEDLO C[C@]1(O)CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679204 965396308 /nfs/dbraw/zinc/39/63/08/965396308.db2.gz GZPFPDJIMYLUCP-AWEZNQCLSA-N 1 2 246.310 1.611 20 30 BDEDLO C[C@]1(O)CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679204 965396325 /nfs/dbraw/zinc/39/63/25/965396325.db2.gz GZPFPDJIMYLUCP-AWEZNQCLSA-N 1 2 246.310 1.611 20 30 BDEDLO Cc1ccc(C[NH+]2CC3(COC3)C2)c(C#N)c1 ZINC001232961656 965443540 /nfs/dbraw/zinc/44/35/40/965443540.db2.gz BWLYYQJQPVIVGZ-UHFFFAOYSA-N 1 2 228.295 1.699 20 30 BDEDLO C[C@H]1CN(c2cc(CC#N)cc[nH+]2)CC[C@@]1(C)O ZINC001164351128 965856603 /nfs/dbraw/zinc/85/66/03/965856603.db2.gz YZBZSDPXJUFWBV-SMDDNHRTSA-N 1 2 245.326 1.745 20 30 BDEDLO Cc1cnc(N2CC[NH2+]C[C@H]2C#N)cc1C ZINC001164661432 965943825 /nfs/dbraw/zinc/94/38/25/965943825.db2.gz LURPGZIGDMOJJZ-LLVKDONJSA-N 1 2 216.288 1.000 20 30 BDEDLO N#CCc1cc[nH+]c(N2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001165367243 966065965 /nfs/dbraw/zinc/06/59/65/966065965.db2.gz STPVFCDQKRCTKH-SDDRHHMPSA-N 1 2 231.274 1.942 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001167006043 966514496 /nfs/dbraw/zinc/51/44/96/966514496.db2.gz OIBFBHCKNXKEEG-LBPRGKRZSA-N 1 2 225.295 1.997 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cnn(CC(F)F)c1 ZINC001203523103 966673441 /nfs/dbraw/zinc/67/34/41/966673441.db2.gz YGUVULQGWXZZHW-QMMMGPOBSA-N 1 2 228.246 1.540 20 30 BDEDLO N#Cc1cccc(C[NH+]2CC(N3CC(F)C3)C2)c1 ZINC001203755147 966773394 /nfs/dbraw/zinc/77/33/94/966773394.db2.gz JUMKBCQTQAOSJE-UHFFFAOYSA-N 1 2 245.301 1.396 20 30 BDEDLO CCOC(=O)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001203905313 966816639 /nfs/dbraw/zinc/81/66/39/966816639.db2.gz ILMXIDAXMUMQGG-UHFFFAOYSA-N 1 2 244.294 1.553 20 30 BDEDLO Cn1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001204984961 967275837 /nfs/dbraw/zinc/27/58/37/967275837.db2.gz FWOOFGWIUCFNPJ-LLVKDONJSA-N 1 2 249.339 1.194 20 30 BDEDLO Cn1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001204984961 967275841 /nfs/dbraw/zinc/27/58/41/967275841.db2.gz FWOOFGWIUCFNPJ-LLVKDONJSA-N 1 2 249.339 1.194 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137838645 967910013 /nfs/dbraw/zinc/91/00/13/967910013.db2.gz FQMFXXJYUMRHLR-VIFPVBQESA-N 1 2 220.247 1.877 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137838645 967910035 /nfs/dbraw/zinc/91/00/35/967910035.db2.gz FQMFXXJYUMRHLR-VIFPVBQESA-N 1 2 220.247 1.877 20 30 BDEDLO Cc1cncc(C[NH+]2CC(CC#N)C2)c1 ZINC001207153712 968662697 /nfs/dbraw/zinc/66/26/97/968662697.db2.gz AWIDSPJEPHQTCF-UHFFFAOYSA-N 1 2 201.273 1.736 20 30 BDEDLO C=CCOC[C@@H](O)CNc1ccc(C)[nH+]c1C ZINC001252453078 968709088 /nfs/dbraw/zinc/70/90/88/968709088.db2.gz UDYWJSNOPLSRKV-LBPRGKRZSA-N 1 2 236.315 1.674 20 30 BDEDLO C=CCOC[C@H](O)C[N@H+]1Cc2cnc(C)cc2C1 ZINC001252469971 968725789 /nfs/dbraw/zinc/72/57/89/968725789.db2.gz FWSOSXGWHQORDZ-CQSZACIVSA-N 1 2 248.326 1.269 20 30 BDEDLO C=CCOC[C@H](O)C[N@@H+]1Cc2cnc(C)cc2C1 ZINC001252469971 968725796 /nfs/dbraw/zinc/72/57/96/968725796.db2.gz FWSOSXGWHQORDZ-CQSZACIVSA-N 1 2 248.326 1.269 20 30 BDEDLO C=C[C@@](C)(O)CNc1c[nH+]ccc1OCC ZINC001252543238 968779489 /nfs/dbraw/zinc/77/94/89/968779489.db2.gz PTBXTRVCTSDCGI-GFCCVEGCSA-N 1 2 222.288 1.829 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001085762015 968847402 /nfs/dbraw/zinc/84/74/02/968847402.db2.gz YWHRJIJWKKQEMB-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001085762015 968847406 /nfs/dbraw/zinc/84/74/06/968847406.db2.gz YWHRJIJWKKQEMB-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1CCn2c(C)ncc2C1 ZINC001252596558 968857528 /nfs/dbraw/zinc/85/75/28/968857528.db2.gz SHFALRNHKAJNBX-ZDUSSCGKSA-N 1 2 235.331 1.334 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1CCn2c(C)ncc2C1 ZINC001252596558 968857531 /nfs/dbraw/zinc/85/75/31/968857531.db2.gz SHFALRNHKAJNBX-ZDUSSCGKSA-N 1 2 235.331 1.334 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001252620737 968880539 /nfs/dbraw/zinc/88/05/39/968880539.db2.gz YYEIKNRZKSBDCV-MNOVXSKESA-N 1 2 229.320 1.245 20 30 BDEDLO C=C[C@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC001253566918 969236451 /nfs/dbraw/zinc/23/64/51/969236451.db2.gz IHMKIMBYKCSYMA-AWEZNQCLSA-N 1 2 230.311 1.949 20 30 BDEDLO C=C[C@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001253566918 969236460 /nfs/dbraw/zinc/23/64/60/969236460.db2.gz IHMKIMBYKCSYMA-AWEZNQCLSA-N 1 2 230.311 1.949 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001253602151 969296184 /nfs/dbraw/zinc/29/61/84/969296184.db2.gz CYSDGXHTVZVSHF-AXFHLTTASA-N 1 2 229.320 1.101 20 30 BDEDLO C[C@H]1CC(C[NH+]2CC(C#N)C2)C[C@H](C)O1 ZINC001209377653 969451457 /nfs/dbraw/zinc/45/14/57/969451457.db2.gz GXBSOFSKLNYAJY-UWVGGRQHSA-N 1 2 208.305 1.645 20 30 BDEDLO C[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1C#N)n1cc[nH+]c1 ZINC001329593595 969524673 /nfs/dbraw/zinc/52/46/73/969524673.db2.gz RCKINRVCUCOPRZ-UTUOFQBUSA-N 1 2 246.314 1.595 20 30 BDEDLO CCC(C#N)(CC)[NH2+]C1CCN(C(C)=O)CC1 ZINC001254421453 969615894 /nfs/dbraw/zinc/61/58/94/969615894.db2.gz RHPFPCJWEAHJAM-UHFFFAOYSA-N 1 2 237.347 1.669 20 30 BDEDLO CC#Cc1cncc(NC[C@H]2COCC[N@@H+]2C)c1 ZINC001169654858 969799233 /nfs/dbraw/zinc/79/92/33/969799233.db2.gz AKBBZHPWZKGMSO-AWEZNQCLSA-N 1 2 245.326 1.196 20 30 BDEDLO CC#Cc1cncc(NC[C@H]2COCC[N@H+]2C)c1 ZINC001169654858 969799238 /nfs/dbraw/zinc/79/92/38/969799238.db2.gz AKBBZHPWZKGMSO-AWEZNQCLSA-N 1 2 245.326 1.196 20 30 BDEDLO Cc1cccc(NC[C@@H]2COCC[N@H+]2C)c1C#N ZINC001169654573 969801806 /nfs/dbraw/zinc/80/18/06/969801806.db2.gz UWWFJYTYGGZLHA-GFCCVEGCSA-N 1 2 245.326 1.609 20 30 BDEDLO Cc1cccc(NC[C@@H]2COCC[N@@H+]2C)c1C#N ZINC001169654573 969801810 /nfs/dbraw/zinc/80/18/10/969801810.db2.gz UWWFJYTYGGZLHA-GFCCVEGCSA-N 1 2 245.326 1.609 20 30 BDEDLO Cc1nc(C#N)c(Nc2c[nH+]c(C)c(N)c2)o1 ZINC001210287130 969853809 /nfs/dbraw/zinc/85/38/09/969853809.db2.gz MAZCYZBVZKMYSZ-UHFFFAOYSA-N 1 2 229.243 1.884 20 30 BDEDLO Cc1[nH+]cc(Nc2cc(C#N)ccn2)cc1N ZINC001210286123 969854032 /nfs/dbraw/zinc/85/40/32/969854032.db2.gz WABKCGJXTFGCPO-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO C=C[C@@H](CO)Nc1cc[nH+]c(OCCOC)c1 ZINC001169784825 969857768 /nfs/dbraw/zinc/85/77/68/969857768.db2.gz VATXLZIMDTVJJW-JTQLQIEISA-N 1 2 238.287 1.066 20 30 BDEDLO N#CC1C[NH+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001169935494 969885859 /nfs/dbraw/zinc/88/58/59/969885859.db2.gz GAWAPCFJDBSGTI-LLVKDONJSA-N 1 2 222.288 1.127 20 30 BDEDLO CCCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001255311779 970076240 /nfs/dbraw/zinc/07/62/40/970076240.db2.gz GJVXTFYXTDRXFG-BDAKNGLRSA-N 1 2 219.350 1.626 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)OCC)CC1 ZINC001112658562 970133392 /nfs/dbraw/zinc/13/33/92/970133392.db2.gz KEKPWOCAYKBBJX-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO CC1(C#N)C[NH+]([C@@H]2CCOC(C)(C)C2)C1 ZINC001255537292 970306539 /nfs/dbraw/zinc/30/65/39/970306539.db2.gz UCHVWXUKQBWLNR-SNVBAGLBSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001113490776 970449619 /nfs/dbraw/zinc/44/96/19/970449619.db2.gz CGNJYJHFXUUUQE-UHFFFAOYSA-N 1 2 236.359 1.897 20 30 BDEDLO Cc1cc(CO[C@H]2CCN(CC#N)C2)cc(C)[nH+]1 ZINC001223426006 973067236 /nfs/dbraw/zinc/06/72/36/973067236.db2.gz XAGFJSUIKATKIW-AWEZNQCLSA-N 1 2 245.326 1.813 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001276890754 973069242 /nfs/dbraw/zinc/06/92/42/973069242.db2.gz DXMGIQYNXKWIBT-CYBMUJFWSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001276890754 973069257 /nfs/dbraw/zinc/06/92/57/973069257.db2.gz DXMGIQYNXKWIBT-CYBMUJFWSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2ccncc2C)C1 ZINC000720880742 973305308 /nfs/dbraw/zinc/30/53/08/973305308.db2.gz KENXLFKXXJUHTA-UHFFFAOYSA-N 1 2 218.300 1.513 20 30 BDEDLO C=CCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094327115 974066138 /nfs/dbraw/zinc/06/61/38/974066138.db2.gz DFCBZSFSHYXAIK-UHFFFAOYSA-N 1 2 248.330 1.669 20 30 BDEDLO CCCC[N@H+](CC#N)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172027601 974284561 /nfs/dbraw/zinc/28/45/61/974284561.db2.gz XJRUXAILYCNHOZ-CYBMUJFWSA-N 1 2 249.358 1.765 20 30 BDEDLO CCCC[N@@H+](CC#N)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172027601 974284564 /nfs/dbraw/zinc/28/45/64/974284564.db2.gz XJRUXAILYCNHOZ-CYBMUJFWSA-N 1 2 249.358 1.765 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OCC ZINC001330622661 974371239 /nfs/dbraw/zinc/37/12/39/974371239.db2.gz UJYZIGLKPABDJA-DGCLKSJQSA-N 1 2 243.347 1.899 20 30 BDEDLO CC[C@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233802 974476014 /nfs/dbraw/zinc/47/60/14/974476014.db2.gz MNQXTDUGUHAFPC-FGNRJIRKSA-N 1 2 206.289 1.754 20 30 BDEDLO CC[C@@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233803 974477708 /nfs/dbraw/zinc/47/77/08/974477708.db2.gz MNQXTDUGUHAFPC-YATPEIPISA-N 1 2 206.289 1.754 20 30 BDEDLO CC[C@H](C)OCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001172329875 974595706 /nfs/dbraw/zinc/59/57/06/974595706.db2.gz JGMVHMBIIVTFNZ-AVGNSLFASA-N 1 2 239.363 1.377 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172360304 974629035 /nfs/dbraw/zinc/62/90/35/974629035.db2.gz RPOYVBRGTBUXNN-ZDCRXTMVSA-N 1 2 245.388 1.872 20 30 BDEDLO CCOC(=O)C(F)(F)C[NH2+][C@@H](C)CCCC#N ZINC001172478302 974776752 /nfs/dbraw/zinc/77/67/52/974776752.db2.gz DRYYDOQQUCOGFH-VIFPVBQESA-N 1 2 248.273 1.857 20 30 BDEDLO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc(C#N)o1 ZINC001332011304 974917317 /nfs/dbraw/zinc/91/73/17/974917317.db2.gz MWAUNILKCNVTQT-UHFFFAOYSA-N 1 2 247.298 1.252 20 30 BDEDLO CC1(C)CC(=O)NCC[N@H+]1Cc1ccc(C#N)o1 ZINC001332011304 974917325 /nfs/dbraw/zinc/91/73/25/974917325.db2.gz MWAUNILKCNVTQT-UHFFFAOYSA-N 1 2 247.298 1.252 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)[C@H](C)C#N)CC1 ZINC001172808048 974942957 /nfs/dbraw/zinc/94/29/57/974942957.db2.gz QPNGPPSFGAWKJT-IJLUTSLNSA-N 1 2 238.331 1.952 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)[C@H](C)C#N)CC1 ZINC001172808048 974942964 /nfs/dbraw/zinc/94/29/64/974942964.db2.gz QPNGPPSFGAWKJT-IJLUTSLNSA-N 1 2 238.331 1.952 20 30 BDEDLO N#Cc1ccn2ncc(C[N@H+]3CC[C@@H](F)C3)c2c1 ZINC001249082308 975022363 /nfs/dbraw/zinc/02/23/63/975022363.db2.gz OGRYUUSYFBARED-GFCCVEGCSA-N 1 2 244.273 1.750 20 30 BDEDLO N#Cc1ccn2ncc(C[N@@H+]3CC[C@@H](F)C3)c2c1 ZINC001249082308 975022369 /nfs/dbraw/zinc/02/23/69/975022369.db2.gz OGRYUUSYFBARED-GFCCVEGCSA-N 1 2 244.273 1.750 20 30 BDEDLO N#Cc1ccn2ncc(C[N@H+]3CC[C@H](F)C3)c2c1 ZINC001249082309 975023103 /nfs/dbraw/zinc/02/31/03/975023103.db2.gz OGRYUUSYFBARED-LBPRGKRZSA-N 1 2 244.273 1.750 20 30 BDEDLO N#Cc1ccn2ncc(C[N@@H+]3CC[C@H](F)C3)c2c1 ZINC001249082309 975023108 /nfs/dbraw/zinc/02/31/08/975023108.db2.gz OGRYUUSYFBARED-LBPRGKRZSA-N 1 2 244.273 1.750 20 30 BDEDLO CC[NH+]1CC(Oc2cc(C#N)cc(C#N)c2)C1 ZINC001226896992 975139438 /nfs/dbraw/zinc/13/94/38/975139438.db2.gz VUOFHCIOBMTLKR-UHFFFAOYSA-N 1 2 227.267 1.513 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](CC)C1)C(=O)OC ZINC001173269509 975140201 /nfs/dbraw/zinc/14/02/01/975140201.db2.gz WIMUQRNUFIBVKL-UTUOFQBUSA-N 1 2 223.316 1.720 20 30 BDEDLO Cc1cccc(OC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001226919955 975151184 /nfs/dbraw/zinc/15/11/84/975151184.db2.gz HRWGWJINSVVIEW-GFCCVEGCSA-N 1 2 246.310 1.576 20 30 BDEDLO Cc1cccc(OC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001226919955 975151192 /nfs/dbraw/zinc/15/11/92/975151192.db2.gz HRWGWJINSVVIEW-GFCCVEGCSA-N 1 2 246.310 1.576 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)CSCC)C(=O)OC ZINC001173290115 975259326 /nfs/dbraw/zinc/25/93/26/975259326.db2.gz CZFKAULHWNEBPG-NXEZZACHSA-N 1 2 231.361 1.835 20 30 BDEDLO C=CCOC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001173321367 975266675 /nfs/dbraw/zinc/26/66/75/975266675.db2.gz JQYYHKUSZPDUHZ-MOKVOYLWSA-N 1 2 249.358 1.298 20 30 BDEDLO CC(C)[NH+]1CC(Oc2cc(O)ccc2C#N)C1 ZINC001228005818 975847249 /nfs/dbraw/zinc/84/72/49/975847249.db2.gz SMVJESDJPUXCEE-UHFFFAOYSA-N 1 2 232.283 1.735 20 30 BDEDLO C#CCN(CC#N)Cc1c[nH+]c2c(C)cccn12 ZINC001333811381 976094521 /nfs/dbraw/zinc/09/45/21/976094521.db2.gz FUFRTCAWOXIFSQ-UHFFFAOYSA-N 1 2 238.294 1.602 20 30 BDEDLO CC(=O)/C=C\c1ccc(OC2C[NH+](C)C2)cc1 ZINC001228492513 976257664 /nfs/dbraw/zinc/25/76/64/976257664.db2.gz ZZXHKCSESLLJFZ-ARJAWSKDSA-N 1 2 231.295 1.982 20 30 BDEDLO C#Cc1cc(Nc2cnn(CC3CC3)c2)cc[nH+]1 ZINC001174466684 976766096 /nfs/dbraw/zinc/76/60/96/976766096.db2.gz JWCGKCJOBWKUDK-UHFFFAOYSA-N 1 2 238.294 1.835 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC001335267978 976911304 /nfs/dbraw/zinc/91/13/04/976911304.db2.gz UGLRQLSVEZMURB-WDEREUQCSA-N 1 2 238.335 1.711 20 30 BDEDLO C#Cc1cc(Nc2ccc(NC)nc2F)cc[nH+]1 ZINC001203350530 977355567 /nfs/dbraw/zinc/35/55/67/977355567.db2.gz SUYYOHYWBKLHNI-UHFFFAOYSA-N 1 2 242.257 1.804 20 30 BDEDLO COc1cc(C#N)ccc1C[N@H+](C)CCF ZINC001231620468 977648209 /nfs/dbraw/zinc/64/82/09/977648209.db2.gz BQBUTKRHAKGZGO-UHFFFAOYSA-N 1 2 222.263 1.968 20 30 BDEDLO COc1cc(C#N)ccc1C[N@@H+](C)CCF ZINC001231620468 977648221 /nfs/dbraw/zinc/64/82/21/977648221.db2.gz BQBUTKRHAKGZGO-UHFFFAOYSA-N 1 2 222.263 1.968 20 30 BDEDLO COc1cc[nH+]c(CN(C)[C@H](C)C#N)c1 ZINC001231969636 977814983 /nfs/dbraw/zinc/81/49/83/977814983.db2.gz NRMAZQCNPMQBEB-SECBINFHSA-N 1 2 205.261 1.434 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cnc(F)cc2C)CC1 ZINC001231984249 977823200 /nfs/dbraw/zinc/82/32/00/977823200.db2.gz QSHYPLLOOSJHCU-UHFFFAOYSA-N 1 2 247.317 1.280 20 30 BDEDLO Cc1[nH]c(CN2CCCC[C@@H]2C#N)c[nH+]1 ZINC001232463134 978095102 /nfs/dbraw/zinc/09/51/02/978095102.db2.gz CLLUIRANMGAHMR-LLVKDONJSA-N 1 2 204.277 1.596 20 30 BDEDLO Cc1[nH]cc(CN2CCCC[C@@H]2C#N)[nH+]1 ZINC001232463134 978095105 /nfs/dbraw/zinc/09/51/05/978095105.db2.gz CLLUIRANMGAHMR-LLVKDONJSA-N 1 2 204.277 1.596 20 30 BDEDLO N#Cc1sccc1C(=O)NCCn1cc[nH+]c1 ZINC001595684462 978127256 /nfs/dbraw/zinc/12/72/56/978127256.db2.gz JCWZNUMDOYJJIN-UHFFFAOYSA-N 1 2 246.295 1.246 20 30 BDEDLO COC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232481849 978133361 /nfs/dbraw/zinc/13/33/61/978133361.db2.gz JMJZVRILLQRMEO-LBPRGKRZSA-N 1 2 217.272 1.174 20 30 BDEDLO COC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232481849 978133370 /nfs/dbraw/zinc/13/33/70/978133370.db2.gz JMJZVRILLQRMEO-LBPRGKRZSA-N 1 2 217.272 1.174 20 30 BDEDLO CC[N@H+](Cc1cc(C#N)ccn1)C1CN(C)C1 ZINC001232482000 978134647 /nfs/dbraw/zinc/13/46/47/978134647.db2.gz OQAAZOGGBMKKTN-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO CC[N@@H+](Cc1cc(C#N)ccn1)C1CN(C)C1 ZINC001232482000 978134652 /nfs/dbraw/zinc/13/46/52/978134652.db2.gz OQAAZOGGBMKKTN-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO N#C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001176826065 978194015 /nfs/dbraw/zinc/19/40/15/978194015.db2.gz FRYBZECZQKEZEB-GFCCVEGCSA-N 1 2 240.266 1.333 20 30 BDEDLO Cc1cc(F)cc(N2CC[C@](O)(CC#N)C2)[nH+]1 ZINC001337203993 978213864 /nfs/dbraw/zinc/21/38/64/978213864.db2.gz WNMNUUZRQSMGDU-GFCCVEGCSA-N 1 2 235.262 1.384 20 30 BDEDLO CCCCN(CC#N)C(=O)CCn1cc[nH+]c1 ZINC001176877943 978224586 /nfs/dbraw/zinc/22/45/86/978224586.db2.gz PSZFKYPICZUUIV-UHFFFAOYSA-N 1 2 234.303 1.425 20 30 BDEDLO C#CC1(NC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001176884251 978227974 /nfs/dbraw/zinc/22/79/74/978227974.db2.gz YRKNVRCOCRVTCC-UHFFFAOYSA-N 1 2 245.326 1.726 20 30 BDEDLO Cc1nc(C#N)c(NC(=O)CCn2cc[nH+]c2)o1 ZINC001176873439 978228358 /nfs/dbraw/zinc/22/83/58/978228358.db2.gz NSRLKUDVKSYOAT-UHFFFAOYSA-N 1 2 245.242 1.080 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)CC1COC1 ZINC001232678495 978239927 /nfs/dbraw/zinc/23/99/27/978239927.db2.gz HPLGEQDVYJOBQT-UHFFFAOYSA-N 1 2 232.283 1.342 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)CC1COC1 ZINC001232678495 978239940 /nfs/dbraw/zinc/23/99/40/978239940.db2.gz HPLGEQDVYJOBQT-UHFFFAOYSA-N 1 2 232.283 1.342 20 30 BDEDLO C[C@H](C(=O)N1CCC(C)(C#N)CC1)n1cc[nH+]c1 ZINC001337467934 978351963 /nfs/dbraw/zinc/35/19/63/978351963.db2.gz QZTCFLDFQOTREH-LLVKDONJSA-N 1 2 246.314 1.596 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(F)cnc2C)CC1 ZINC001232991229 978394300 /nfs/dbraw/zinc/39/43/00/978394300.db2.gz WKKFRWIQUTZXQU-UHFFFAOYSA-N 1 2 247.317 1.280 20 30 BDEDLO C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC001337708992 978467710 /nfs/dbraw/zinc/46/77/10/978467710.db2.gz VOLBWFLRDIYTFE-YPMHNXCESA-N 1 2 246.314 1.596 20 30 BDEDLO N#C[C@@H]1CCCN1Cc1cccc2[nH+]ccn21 ZINC001233360789 978573960 /nfs/dbraw/zinc/57/39/60/978573960.db2.gz FQPVXGBEYSLIKB-NSHDSACASA-N 1 2 226.283 1.822 20 30 BDEDLO N#CC1(C[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC001338265560 978645578 /nfs/dbraw/zinc/64/55/78/978645578.db2.gz VGDPLJKJHIXQBR-LLVKDONJSA-N 1 2 213.284 1.962 20 30 BDEDLO Cc1cc(C[NH2+]CC2(C#N)CCC2)[nH]n1 ZINC001179772134 978747744 /nfs/dbraw/zinc/74/77/44/978747744.db2.gz WVOAJONOOSOHSR-UHFFFAOYSA-N 1 2 204.277 1.502 20 30 BDEDLO CCCn1c[nH+]cc1CN(CC)CC#N ZINC001180153564 978836574 /nfs/dbraw/zinc/83/65/74/978836574.db2.gz IZJWUMJWXWVEMK-UHFFFAOYSA-N 1 2 206.293 1.639 20 30 BDEDLO C#CC1CC[NH+](Cc2ncc(F)cn2)CC1 ZINC001235015075 978953581 /nfs/dbraw/zinc/95/35/81/978953581.db2.gz CHJDZBWDWQVJSA-UHFFFAOYSA-N 1 2 219.263 1.461 20 30 BDEDLO CC(C)(S)CNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181280335 979032322 /nfs/dbraw/zinc/03/23/22/979032322.db2.gz XMMKKPUQYLHWKU-UHFFFAOYSA-N 1 2 239.344 1.031 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235665500 979114489 /nfs/dbraw/zinc/11/44/89/979114489.db2.gz LMLMOHDAECGLQY-ZDUSSCGKSA-N 1 2 246.354 1.343 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235665500 979114494 /nfs/dbraw/zinc/11/44/94/979114494.db2.gz LMLMOHDAECGLQY-ZDUSSCGKSA-N 1 2 246.354 1.343 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602803921 979242621 /nfs/dbraw/zinc/24/26/21/979242621.db2.gz INPJAVPURHTKCT-QWRGUYRKSA-N 1 2 249.314 1.239 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602803921 979242627 /nfs/dbraw/zinc/24/26/27/979242627.db2.gz INPJAVPURHTKCT-QWRGUYRKSA-N 1 2 249.314 1.239 20 30 BDEDLO C#CC(C)(C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001182634551 979569979 /nfs/dbraw/zinc/56/99/79/979569979.db2.gz XKDLIKYUVWAGHH-UHFFFAOYSA-N 1 2 228.295 1.590 20 30 BDEDLO C#CC(C)(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001182635604 979573097 /nfs/dbraw/zinc/57/30/97/979573097.db2.gz CCKCFBKLPUARHA-LLVKDONJSA-N 1 2 245.326 1.775 20 30 BDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(C#N)ccn1 ZINC001182830680 979652670 /nfs/dbraw/zinc/65/26/70/979652670.db2.gz VQRZFNUVTGNILN-NSHDSACASA-N 1 2 244.298 1.374 20 30 BDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(C#N)ccn1 ZINC001182830680 979652675 /nfs/dbraw/zinc/65/26/75/979652675.db2.gz VQRZFNUVTGNILN-NSHDSACASA-N 1 2 244.298 1.374 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236617507 979682295 /nfs/dbraw/zinc/68/22/95/979682295.db2.gz JOOXBPWMCACHFA-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236617507 979682298 /nfs/dbraw/zinc/68/22/98/979682298.db2.gz JOOXBPWMCACHFA-SNVBAGLBSA-N 1 2 235.718 1.975 20 30 BDEDLO N#Cc1cccc(C[NH2+]Cc2cnccn2)n1 ZINC001184313763 980000594 /nfs/dbraw/zinc/00/05/94/980000594.db2.gz AJZYYMLVZSKXIY-UHFFFAOYSA-N 1 2 225.255 1.033 20 30 BDEDLO CCC[N@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC001237695792 980027280 /nfs/dbraw/zinc/02/72/80/980027280.db2.gz PSUXYTCERRAWSW-UHFFFAOYSA-N 1 2 245.326 1.911 20 30 BDEDLO CCC[N@@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC001237695792 980027289 /nfs/dbraw/zinc/02/72/89/980027289.db2.gz PSUXYTCERRAWSW-UHFFFAOYSA-N 1 2 245.326 1.911 20 30 BDEDLO C=C(C)CN(CC)C(=O)CCc1[nH+]ccn1C ZINC001346271329 980803504 /nfs/dbraw/zinc/80/35/04/980803504.db2.gz GLCHIFPMPJHMGH-UHFFFAOYSA-N 1 2 235.331 1.777 20 30 BDEDLO C=C(C)CCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001346470777 980846841 /nfs/dbraw/zinc/84/68/41/980846841.db2.gz CZHNFBLHHCHCTL-UHFFFAOYSA-N 1 2 248.330 1.889 20 30 BDEDLO C#CCN(CC1CC1)C(=O)CCc1[nH+]ccn1C ZINC001346709568 980888897 /nfs/dbraw/zinc/88/88/97/980888897.db2.gz UTKQNHMNVZVTAI-UHFFFAOYSA-N 1 2 245.326 1.225 20 30 BDEDLO N#CCc1nccnc1-c1ccc2[nH+]ccn2c1 ZINC001240214002 981160656 /nfs/dbraw/zinc/16/06/56/981160656.db2.gz JAHNLPWAFDIBGV-UHFFFAOYSA-N 1 2 235.250 1.857 20 30 BDEDLO Cc1nc(-c2ccc3[nH+]ccn3c2)cnc1C#N ZINC001240216895 981167432 /nfs/dbraw/zinc/16/74/32/981167432.db2.gz REIUCZNKTZSUJV-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001348601297 981405291 /nfs/dbraw/zinc/40/52/91/981405291.db2.gz RGXXKFXIQHZKOM-LLVKDONJSA-N 1 2 233.315 1.127 20 30 BDEDLO Cc1cc(C#N)nc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496663 981417180 /nfs/dbraw/zinc/41/71/80/981417180.db2.gz PCGQNGKQEXJCPU-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C=CC(C)(C)CC(=O)NCCc1[nH+]ccn1C ZINC001349300214 981527276 /nfs/dbraw/zinc/52/72/76/981527276.db2.gz QOQGSEBFKJYEQQ-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO C=C(CC)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001349368247 981536421 /nfs/dbraw/zinc/53/64/21/981536421.db2.gz MKAMBSODIDTBJK-LLVKDONJSA-N 1 2 233.315 1.702 20 30 BDEDLO C#CCO[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001583150579 981801711 /nfs/dbraw/zinc/80/17/11/981801711.db2.gz NIAXXKZCZGRECH-JTQLQIEISA-N 1 2 243.266 1.311 20 30 BDEDLO C=C(C)c1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001240837026 981880288 /nfs/dbraw/zinc/88/02/88/981880288.db2.gz CYMMQSTVAQTBCV-UHFFFAOYSA-N 1 2 248.326 1.826 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001351239535 982243483 /nfs/dbraw/zinc/24/34/83/982243483.db2.gz WRDNBRPUWARCNK-SNVBAGLBSA-N 1 2 207.277 1.479 20 30 BDEDLO C#CC1(O)C[NH+](CCCSCC(C)C)C1 ZINC001198449228 982738387 /nfs/dbraw/zinc/73/83/87/982738387.db2.gz FYKQMSJWCMBEIY-UHFFFAOYSA-N 1 2 227.373 1.446 20 30 BDEDLO C=CCNC(=S)Nc1c[nH+]c(C)n1C ZINC001200282065 982800151 /nfs/dbraw/zinc/80/01/51/982800151.db2.gz IXLBBNJKZBICIQ-UHFFFAOYSA-N 1 2 210.306 1.201 20 30 BDEDLO C#CCOC[C@@H](O)CNc1c(C)cc[nH+]c1CC ZINC001251832127 982851358 /nfs/dbraw/zinc/85/13/58/982851358.db2.gz CQAVGJZMNZJZIF-LBPRGKRZSA-N 1 2 248.326 1.375 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1csc(-c2nn[nH]n2)c1 ZINC001589787615 982882768 /nfs/dbraw/zinc/88/27/68/982882768.db2.gz MJUFLXODBGJEPN-ZETCQYMHSA-N 1 2 248.315 1.320 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC001590419695 982945808 /nfs/dbraw/zinc/94/58/08/982945808.db2.gz PIBCAODZLYTLHB-QMMMGPOBSA-N 1 2 246.274 1.242 20 30 BDEDLO Cc1ccnc(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001201278839 983179333 /nfs/dbraw/zinc/17/93/33/983179333.db2.gz HMZHNVFOUGQIGK-UHFFFAOYSA-N 1 2 225.255 1.983 20 30 BDEDLO COc1ccnc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC001356622910 983647768 /nfs/dbraw/zinc/64/77/68/983647768.db2.gz VWNARJSGAQZPGA-NSHDSACASA-N 1 2 244.298 1.623 20 30 BDEDLO C=C/C(=[NH+]\COC)c1cnc(C)c(N)c1 ZINC001242407876 983710706 /nfs/dbraw/zinc/71/07/06/983710706.db2.gz WLXZJRNUHLCOCV-SDNWHVSQSA-N 1 2 205.261 1.551 20 30 BDEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]2S1 ZINC001202488686 983765839 /nfs/dbraw/zinc/76/58/39/983765839.db2.gz SFQKJSGXCWMKNG-ONGXEEELSA-N 1 2 239.340 1.297 20 30 BDEDLO O=C1C=C2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]2S1 ZINC001202488686 983765857 /nfs/dbraw/zinc/76/58/57/983765857.db2.gz SFQKJSGXCWMKNG-ONGXEEELSA-N 1 2 239.340 1.297 20 30 BDEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCOC3)CC[C@H]2S1 ZINC001202488674 983766284 /nfs/dbraw/zinc/76/62/84/983766284.db2.gz SFQKJSGXCWMKNG-GXSJLCMTSA-N 1 2 239.340 1.297 20 30 BDEDLO O=C1C=C2C[N@H+](C[C@@H]3CCOC3)CC[C@H]2S1 ZINC001202488674 983766293 /nfs/dbraw/zinc/76/62/93/983766293.db2.gz SFQKJSGXCWMKNG-GXSJLCMTSA-N 1 2 239.340 1.297 20 30 BDEDLO C=CCOC[C@H](O)CNc1cc[nH+]c(OC)c1 ZINC001252454498 983782457 /nfs/dbraw/zinc/78/24/57/983782457.db2.gz RLHQHKBGFMXIHB-LLVKDONJSA-N 1 2 238.287 1.066 20 30 BDEDLO C=C[C@](C)(O)CNc1cccc2[nH+]c(C)cn21 ZINC001252539277 983805811 /nfs/dbraw/zinc/80/58/11/983805811.db2.gz RTVKQYVJVSCASH-ZDUSSCGKSA-N 1 2 231.299 1.992 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001252556483 983816098 /nfs/dbraw/zinc/81/60/98/983816098.db2.gz CEZYDQLAWJXCOD-IUCAKERBSA-N 1 2 239.237 1.187 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001252556483 983816101 /nfs/dbraw/zinc/81/61/01/983816101.db2.gz CEZYDQLAWJXCOD-IUCAKERBSA-N 1 2 239.237 1.187 20 30 BDEDLO C=CCNC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001202577618 984083212 /nfs/dbraw/zinc/08/32/12/984083212.db2.gz DNCSCVMLRHJHSI-UHFFFAOYSA-N 1 2 234.303 1.278 20 30 BDEDLO C=C[C@@H]1CCCCN1c1[nH+]cnc2c1cnn2C ZINC000337935587 984271411 /nfs/dbraw/zinc/27/14/11/984271411.db2.gz JVQMRSDAQHIKLT-SNVBAGLBSA-N 1 2 243.314 1.908 20 30 BDEDLO C#C[C@H](CO)[NH2+]Cc1cccc(O)c1Cl ZINC000718183991 984402992 /nfs/dbraw/zinc/40/29/92/984402992.db2.gz JBJFLFWLOMBAGO-SECBINFHSA-N 1 2 225.675 1.129 20 30 BDEDLO Cn1c[nH+]cc1-c1ccnc2[nH]cc(C#N)c21 ZINC001243067250 984485903 /nfs/dbraw/zinc/48/59/03/984485903.db2.gz HKNQDPZOUNPVFL-UHFFFAOYSA-N 1 2 223.239 1.835 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)OC ZINC001275512485 984588089 /nfs/dbraw/zinc/58/80/89/984588089.db2.gz LALXMKYHPLDLFI-ZJUUUORDSA-N 1 2 248.754 1.210 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)OC ZINC001275512485 984588101 /nfs/dbraw/zinc/58/81/01/984588101.db2.gz LALXMKYHPLDLFI-ZJUUUORDSA-N 1 2 248.754 1.210 20 30 BDEDLO Cn1c[nH+]cc1-c1ccc(OCC#N)cc1 ZINC001243590256 985146122 /nfs/dbraw/zinc/14/61/22/985146122.db2.gz SDHDYGGMMPKSJU-UHFFFAOYSA-N 1 2 213.240 1.989 20 30 BDEDLO CCc1[nH]c(CNc2cc(C#N)nc(C)n2)c[nH+]1 ZINC001458663574 985342743 /nfs/dbraw/zinc/34/27/43/985342743.db2.gz BNOFZSXVNRHDLQ-UHFFFAOYSA-N 1 2 242.286 1.554 20 30 BDEDLO CCc1[nH]cc(CNc2cc(C#N)nc(C)n2)[nH+]1 ZINC001458663574 985342757 /nfs/dbraw/zinc/34/27/57/985342757.db2.gz BNOFZSXVNRHDLQ-UHFFFAOYSA-N 1 2 242.286 1.554 20 30 BDEDLO C=C/C(=[NH+]\COC)c1cc(F)ccc1N ZINC001244395463 986043743 /nfs/dbraw/zinc/04/37/43/986043743.db2.gz OLOLRUYOFQPWKZ-SDNWHVSQSA-N 1 2 208.236 1.987 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001258725240 986061745 /nfs/dbraw/zinc/06/17/45/986061745.db2.gz HRIOKNQHHFBATJ-ZYHUDNBSSA-N 1 2 227.304 1.263 20 30 BDEDLO C=C[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001253572065 986092972 /nfs/dbraw/zinc/09/29/72/986092972.db2.gz LAXXETSODFRZQQ-SNVBAGLBSA-N 1 2 203.245 1.293 20 30 BDEDLO C=C[C@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001253590996 986193986 /nfs/dbraw/zinc/19/39/86/986193986.db2.gz QBXXIZQOULVSCX-JTQLQIEISA-N 1 2 217.272 1.532 20 30 BDEDLO C=C[C@@H](O)CNC(=[NH2+])c1ncccc1OCCC ZINC001253610744 986284235 /nfs/dbraw/zinc/28/42/35/986284235.db2.gz XBZMHNSUAODLSW-SNVBAGLBSA-N 1 2 249.314 1.332 20 30 BDEDLO C=CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001465174067 986694706 /nfs/dbraw/zinc/69/47/06/986694706.db2.gz XAFRHTUHDGJFQN-MRVPVSSYSA-N 1 2 207.277 1.341 20 30 BDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001466646996 986818894 /nfs/dbraw/zinc/81/88/94/986818894.db2.gz KGBXJCAPTUJWRX-GFCCVEGCSA-N 1 2 243.310 1.149 20 30 BDEDLO CC[C@H](CC#N)N1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001255174409 986870630 /nfs/dbraw/zinc/87/06/30/986870630.db2.gz WPRIRPRENQBKQC-WDEREUQCSA-N 1 2 225.311 1.407 20 30 BDEDLO CC[C@H](CC#N)N1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001255174409 986870641 /nfs/dbraw/zinc/87/06/41/986870641.db2.gz WPRIRPRENQBKQC-WDEREUQCSA-N 1 2 225.311 1.407 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCOC[C@H]1C1CC1 ZINC001255178362 986872216 /nfs/dbraw/zinc/87/22/16/986872216.db2.gz FOTPYYVCNDMXOD-RYUDHWBXSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCOC[C@H]1C1CC1 ZINC001255178362 986872223 /nfs/dbraw/zinc/87/22/23/986872223.db2.gz FOTPYYVCNDMXOD-RYUDHWBXSA-N 1 2 208.305 1.789 20 30 BDEDLO C=C[C@@](C)(O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472094164 987175214 /nfs/dbraw/zinc/17/52/14/987175214.db2.gz LXKCWMQVDONQSZ-GFCCVEGCSA-N 1 2 237.303 1.086 20 30 BDEDLO C=C[C@@](C)(O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472094164 987175233 /nfs/dbraw/zinc/17/52/33/987175233.db2.gz LXKCWMQVDONQSZ-GFCCVEGCSA-N 1 2 237.303 1.086 20 30 BDEDLO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000694586982 987325987 /nfs/dbraw/zinc/32/59/87/987325987.db2.gz RILAFRPVUUUMPO-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)(C)OC(=O)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000694586982 987325993 /nfs/dbraw/zinc/32/59/93/987325993.db2.gz RILAFRPVUUUMPO-LLVKDONJSA-N 1 2 238.331 1.954 20 30 BDEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001473401692 987419731 /nfs/dbraw/zinc/41/97/31/987419731.db2.gz DFBFCWMUMGXNQT-ZETCQYMHSA-N 1 2 234.263 1.034 20 30 BDEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001473401692 987419735 /nfs/dbraw/zinc/41/97/35/987419735.db2.gz DFBFCWMUMGXNQT-ZETCQYMHSA-N 1 2 234.263 1.034 20 30 BDEDLO C[C@H](C(=O)NCCCCC#N)n1cc[nH+]c1 ZINC001115984560 987424485 /nfs/dbraw/zinc/42/44/85/987424485.db2.gz KMDSWDIWKSAWRO-SNVBAGLBSA-N 1 2 220.276 1.254 20 30 BDEDLO C=CCCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116633672 987652166 /nfs/dbraw/zinc/65/21/66/987652166.db2.gz CGXKZFWEHTVGIE-NSHDSACASA-N 1 2 221.304 1.917 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cccc(F)c1N ZINC001474250676 987667292 /nfs/dbraw/zinc/66/72/92/987667292.db2.gz JGBIVYQRQXARGK-MRVPVSSYSA-N 1 2 207.252 1.800 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C=C2CCC2)CC1 ZINC001480347269 987967232 /nfs/dbraw/zinc/96/72/32/987967232.db2.gz FMCUXPIILKOJAE-UHFFFAOYSA-N 1 2 232.327 1.264 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001480344457 987967815 /nfs/dbraw/zinc/96/78/15/987967815.db2.gz IRCIMHFOYWFPHC-LLVKDONJSA-N 1 2 222.332 1.363 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC1(C)C ZINC001480856265 988055722 /nfs/dbraw/zinc/05/57/22/988055722.db2.gz ZGJOTVKBZKUQQN-SNVBAGLBSA-N 1 2 244.766 1.833 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC1(C)C ZINC001480856265 988055738 /nfs/dbraw/zinc/05/57/38/988055738.db2.gz ZGJOTVKBZKUQQN-SNVBAGLBSA-N 1 2 244.766 1.833 20 30 BDEDLO N#C[C@@H]1CC[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C1 ZINC001246585923 988132446 /nfs/dbraw/zinc/13/24/46/988132446.db2.gz YRNFYLRDVONLGP-UTLUCORTSA-N 1 2 229.274 1.347 20 30 BDEDLO C#CCCCCc1nnc(C[NH+](C)C)o1 ZINC001322983592 988423161 /nfs/dbraw/zinc/42/31/61/988423161.db2.gz LPUTUKMCQPFMHZ-UHFFFAOYSA-N 1 2 207.277 1.477 20 30 BDEDLO C=CCSCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001323605463 988565221 /nfs/dbraw/zinc/56/52/21/988565221.db2.gz LMFJPHQWQYCLOA-SNVBAGLBSA-N 1 2 239.344 1.480 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCc1c[nH+]cn1C ZINC001517021197 989195078 /nfs/dbraw/zinc/19/50/78/989195078.db2.gz MGFKLRWBRLPPSJ-MNOVXSKESA-N 1 2 236.271 1.054 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1cn(CCC)nn1 ZINC001119606163 989227663 /nfs/dbraw/zinc/22/76/63/989227663.db2.gz KXFLSXWYCXVQDP-GHMZBOCLSA-N 1 2 238.335 1.540 20 30 BDEDLO Cc1nccc(C[NH2+]C[C@H](C#N)CCC#N)n1 ZINC001325891272 989299426 /nfs/dbraw/zinc/29/94/26/989299426.db2.gz LLQDCBVSRMCCNB-NSHDSACASA-N 1 2 229.287 1.318 20 30 BDEDLO C=C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001518859260 989347555 /nfs/dbraw/zinc/34/75/55/989347555.db2.gz LYXCEIMRGVBXKN-VIFPVBQESA-N 1 2 229.283 1.947 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(C(=O)OCC)n[nH]1 ZINC001326289393 989470519 /nfs/dbraw/zinc/47/05/19/989470519.db2.gz SYDHQUOXAJWFAE-UHFFFAOYSA-N 1 2 235.287 1.042 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(C(=O)OCC)n[nH]1 ZINC001326289393 989470526 /nfs/dbraw/zinc/47/05/26/989470526.db2.gz SYDHQUOXAJWFAE-UHFFFAOYSA-N 1 2 235.287 1.042 20 30 BDEDLO N#CC1(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)CC1 ZINC001120255633 989618788 /nfs/dbraw/zinc/61/87/88/989618788.db2.gz BGGZIUXGXMWJDR-LLVKDONJSA-N 1 2 243.314 1.267 20 30 BDEDLO N#CC1(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)CC1 ZINC001120255633 989618792 /nfs/dbraw/zinc/61/87/92/989618792.db2.gz BGGZIUXGXMWJDR-LLVKDONJSA-N 1 2 243.314 1.267 20 30 BDEDLO N#CCC1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001120832680 989910638 /nfs/dbraw/zinc/91/06/38/989910638.db2.gz JDJKUNNPMGQFRO-UHFFFAOYSA-N 1 2 217.276 1.189 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001123856823 990685439 /nfs/dbraw/zinc/68/54/39/990685439.db2.gz HPINTSUZCSNORX-GFCCVEGCSA-N 1 2 247.342 1.920 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cccc3nccnc23)C1 ZINC001138306108 990909941 /nfs/dbraw/zinc/90/99/41/990909941.db2.gz FHYQZQNKWIJPQF-NSHDSACASA-N 1 2 238.294 1.975 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc3nccnc23)C1 ZINC001138306108 990909949 /nfs/dbraw/zinc/90/99/49/990909949.db2.gz FHYQZQNKWIJPQF-NSHDSACASA-N 1 2 238.294 1.975 20 30 BDEDLO CCOC(=O)CCC[C@H](C)[N@H+](C)[C@H](C)C#N ZINC001258133516 991029663 /nfs/dbraw/zinc/02/96/63/991029663.db2.gz YGLZCROLERPQTM-WDEREUQCSA-N 1 2 226.320 1.952 20 30 BDEDLO CCOC(=O)CCC[C@H](C)[N@@H+](C)[C@H](C)C#N ZINC001258133516 991029680 /nfs/dbraw/zinc/02/96/80/991029680.db2.gz YGLZCROLERPQTM-WDEREUQCSA-N 1 2 226.320 1.952 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(Cl)ccn2)CC1 ZINC001139565961 991275103 /nfs/dbraw/zinc/27/51/03/991275103.db2.gz LGGALBMKFAVSQI-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)CCC(=O)OC)C(=O)OC ZINC001258352525 991282369 /nfs/dbraw/zinc/28/23/69/991282369.db2.gz GKIBABXWIWJRMV-ZJUUUORDSA-N 1 2 243.303 1.035 20 30 BDEDLO COC(=O)CC[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001258376094 991329196 /nfs/dbraw/zinc/32/91/96/991329196.db2.gz ZKHAFXMJIVEDQG-WDEREUQCSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)CC[C@H](C)[N@H+]1CCC[C@H](C#N)C1 ZINC001258376094 991329206 /nfs/dbraw/zinc/32/92/06/991329206.db2.gz ZKHAFXMJIVEDQG-WDEREUQCSA-N 1 2 224.304 1.564 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nccn1C ZINC001258392389 991348224 /nfs/dbraw/zinc/34/82/24/991348224.db2.gz XVBWTQKYMGQYGY-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=CCn1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC001139765302 991355924 /nfs/dbraw/zinc/35/59/24/991355924.db2.gz APDPNOCMFPQSCP-VXGBXAGGSA-N 1 2 235.331 1.678 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC001139771262 991365609 /nfs/dbraw/zinc/36/56/09/991365609.db2.gz VCNSXVRNXSYCDG-AWEZNQCLSA-N 1 2 247.342 1.680 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC001139771262 991365612 /nfs/dbraw/zinc/36/56/12/991365612.db2.gz VCNSXVRNXSYCDG-AWEZNQCLSA-N 1 2 247.342 1.680 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001139774814 991369187 /nfs/dbraw/zinc/36/91/87/991369187.db2.gz YEPZOGGTDCDNOP-ZDUSSCGKSA-N 1 2 233.315 1.623 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001139774814 991369192 /nfs/dbraw/zinc/36/91/92/991369192.db2.gz YEPZOGGTDCDNOP-ZDUSSCGKSA-N 1 2 233.315 1.623 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1c(C2CC2)cnn1C ZINC001560574892 991503317 /nfs/dbraw/zinc/50/33/17/991503317.db2.gz PQKOGJBSNCWBJM-VIFPVBQESA-N 1 2 218.304 1.689 20 30 BDEDLO C=CC(C)(C)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001318051880 991616941 /nfs/dbraw/zinc/61/69/41/991616941.db2.gz HFVYTHSZQZETIE-SNVBAGLBSA-N 1 2 240.347 1.034 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001258718217 991644762 /nfs/dbraw/zinc/64/47/62/991644762.db2.gz JSKVILVQFFUGPR-IUCAKERBSA-N 1 2 217.334 1.402 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)nc2)cn1 ZINC001140540722 991665267 /nfs/dbraw/zinc/66/52/67/991665267.db2.gz JMUMWDWAQNMUTF-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)nc2)cn1 ZINC001140540722 991665271 /nfs/dbraw/zinc/66/52/71/991665271.db2.gz JMUMWDWAQNMUTF-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO C[C@@H](CNC(=O)CC(C)(C)C#N)Cn1cc[nH+]c1 ZINC001565867990 991815403 /nfs/dbraw/zinc/81/54/03/991815403.db2.gz JUDACYSDINTGTL-NSHDSACASA-N 1 2 248.330 1.575 20 30 BDEDLO C#CC[N@H+](CC1CC1)CN1CC(C)(C)OC1=O ZINC001319705306 991940918 /nfs/dbraw/zinc/94/09/18/991940918.db2.gz IOOZBTUFNVVHNL-UHFFFAOYSA-N 1 2 236.315 1.520 20 30 BDEDLO C#CC[N@@H+](CC1CC1)CN1CC(C)(C)OC1=O ZINC001319705306 991940934 /nfs/dbraw/zinc/94/09/34/991940934.db2.gz IOOZBTUFNVVHNL-UHFFFAOYSA-N 1 2 236.315 1.520 20 30 BDEDLO CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001319966434 992047336 /nfs/dbraw/zinc/04/73/36/992047336.db2.gz LAZNLIQKKOKPIG-UHFFFAOYSA-N 1 2 245.326 1.468 20 30 BDEDLO CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001319966434 992047342 /nfs/dbraw/zinc/04/73/42/992047342.db2.gz LAZNLIQKKOKPIG-UHFFFAOYSA-N 1 2 245.326 1.468 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC001320156956 992117370 /nfs/dbraw/zinc/11/73/70/992117370.db2.gz RCULEILGPYSXJF-GFCCVEGCSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC001320156956 992117374 /nfs/dbraw/zinc/11/73/74/992117374.db2.gz RCULEILGPYSXJF-GFCCVEGCSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(CC)no2)C1 ZINC001320161457 992118608 /nfs/dbraw/zinc/11/86/08/992118608.db2.gz ZHGIANREIDZVRE-JTQLQIEISA-N 1 2 237.303 1.409 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(CC)no2)C1 ZINC001320161457 992118617 /nfs/dbraw/zinc/11/86/17/992118617.db2.gz ZHGIANREIDZVRE-JTQLQIEISA-N 1 2 237.303 1.409 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nnc(C)o1 ZINC001261360560 992271178 /nfs/dbraw/zinc/27/11/78/992271178.db2.gz PHNNSFCLJIESKK-SECBINFHSA-N 1 2 219.288 1.784 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nnc(C)o1 ZINC001261360560 992271190 /nfs/dbraw/zinc/27/11/90/992271190.db2.gz PHNNSFCLJIESKK-SECBINFHSA-N 1 2 219.288 1.784 20 30 BDEDLO CN1C[C@H](C[N@H+](C)[C@@H]2CCC[C@H]2C#N)OC1=O ZINC001262017758 992605132 /nfs/dbraw/zinc/60/51/32/992605132.db2.gz LEIXGMIYYIBWBJ-GARJFASQSA-N 1 2 237.303 1.061 20 30 BDEDLO CN1C[C@H](C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)OC1=O ZINC001262017758 992605138 /nfs/dbraw/zinc/60/51/38/992605138.db2.gz LEIXGMIYYIBWBJ-GARJFASQSA-N 1 2 237.303 1.061 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1nonc1C ZINC001262203624 992799312 /nfs/dbraw/zinc/79/93/12/992799312.db2.gz YRUMCNIAAXVXHN-CBAPKCEASA-N 1 2 211.265 1.230 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1cscn1 ZINC000379584827 993256521 /nfs/dbraw/zinc/25/65/21/993256521.db2.gz OTOGDCBXGHVBIW-RKDXNWHRSA-N 1 2 212.318 1.995 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccccc1C(=O)OC ZINC000383796311 993518595 /nfs/dbraw/zinc/51/85/95/993518595.db2.gz HYRKZAVZEJUIHO-UHFFFAOYSA-N 1 2 217.268 1.538 20 30 BDEDLO C#CC[N@H+](C)Cc1ccccc1C(=O)OC ZINC000383796311 993518609 /nfs/dbraw/zinc/51/86/09/993518609.db2.gz HYRKZAVZEJUIHO-UHFFFAOYSA-N 1 2 217.268 1.538 20 30 BDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCC)C1 ZINC001282683700 994246358 /nfs/dbraw/zinc/24/63/58/994246358.db2.gz YAUOHOYZKWGHLZ-JTQLQIEISA-N 1 2 244.766 1.976 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001334408159 994593580 /nfs/dbraw/zinc/59/35/80/994593580.db2.gz LOLNNRCMKFJITG-NSHDSACASA-N 1 2 247.342 1.774 20 30 BDEDLO Cc1cc(CNc2cncc(C#N)n2)cc(C)[nH+]1 ZINC001307144741 994606311 /nfs/dbraw/zinc/60/63/11/994606311.db2.gz CXCCUCDPEAMHFP-UHFFFAOYSA-N 1 2 239.282 1.972 20 30 BDEDLO C=C(C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001298203086 994909050 /nfs/dbraw/zinc/90/90/50/994909050.db2.gz BUCMEDJVKUHIJW-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302095988 995112766 /nfs/dbraw/zinc/11/27/66/995112766.db2.gz XUCCXXAOFJDZFN-UHFFFAOYSA-N 1 2 244.298 1.098 20 30 BDEDLO C#CCCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304108078 995188781 /nfs/dbraw/zinc/18/87/81/995188781.db2.gz PFGHEOOXNRVNGX-UHFFFAOYSA-N 1 2 233.315 1.953 20 30 BDEDLO C#CCCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304108078 995188785 /nfs/dbraw/zinc/18/87/85/995188785.db2.gz PFGHEOOXNRVNGX-UHFFFAOYSA-N 1 2 233.315 1.953 20 30 BDEDLO CCC#C[C@H](C)[N@H+](C)Cc1cnccn1 ZINC001307517352 995391959 /nfs/dbraw/zinc/39/19/59/995391959.db2.gz RPYCPFKWTSVTRL-NSHDSACASA-N 1 2 203.289 1.710 20 30 BDEDLO CCC#C[C@H](C)[N@@H+](C)Cc1cnccn1 ZINC001307517352 995391969 /nfs/dbraw/zinc/39/19/69/995391969.db2.gz RPYCPFKWTSVTRL-NSHDSACASA-N 1 2 203.289 1.710 20 30 BDEDLO CC(C)C[C@H](C(=O)N(C)CC#N)n1cc[nH+]c1 ZINC000602085942 349433582 /nfs/dbraw/zinc/43/35/82/349433582.db2.gz LJMHFIPNHKNESQ-LLVKDONJSA-N 1 2 234.303 1.452 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602070896 349439337 /nfs/dbraw/zinc/43/93/37/349439337.db2.gz JNBFIUKHWCJPMF-HBNTYKKESA-N 1 2 246.314 1.521 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602070896 349439339 /nfs/dbraw/zinc/43/93/39/349439339.db2.gz JNBFIUKHWCJPMF-HBNTYKKESA-N 1 2 246.314 1.521 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602094407 349447579 /nfs/dbraw/zinc/44/75/79/349447579.db2.gz SWBYVJRZEAGMBD-OPRDCNLKSA-N 1 2 232.287 1.274 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602094407 349447583 /nfs/dbraw/zinc/44/75/83/349447583.db2.gz SWBYVJRZEAGMBD-OPRDCNLKSA-N 1 2 232.287 1.274 20 30 BDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000602177525 349461125 /nfs/dbraw/zinc/46/11/25/349461125.db2.gz BCLYZQHXZQSSDJ-JMJZKYOTSA-N 1 2 244.298 1.416 20 30 BDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000602177525 349461128 /nfs/dbraw/zinc/46/11/28/349461128.db2.gz BCLYZQHXZQSSDJ-JMJZKYOTSA-N 1 2 244.298 1.416 20 30 BDEDLO C=CC[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000182663424 346809510 /nfs/dbraw/zinc/80/95/10/346809510.db2.gz NCDOJGGMCXMILP-JTQLQIEISA-N 1 2 231.299 1.922 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(CC)[C@H](C)C#N)[nH+]1 ZINC000602189149 349469763 /nfs/dbraw/zinc/46/97/63/349469763.db2.gz SHCLFLBSUKCNTQ-SECBINFHSA-N 1 2 234.303 1.275 20 30 BDEDLO CCc1c[nH]c(CC(=O)N2CC[C@](C)(C#N)C2)[nH+]1 ZINC000602190889 349470357 /nfs/dbraw/zinc/47/03/57/349470357.db2.gz YZRIAZFTOKSQDN-CYBMUJFWSA-N 1 2 246.314 1.277 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159431182 136214338 /nfs/dbraw/zinc/21/43/38/136214338.db2.gz RPAWYZMAEMCJBG-NSHDSACASA-N 1 2 203.289 1.612 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159431182 136214339 /nfs/dbraw/zinc/21/43/39/136214339.db2.gz RPAWYZMAEMCJBG-NSHDSACASA-N 1 2 203.289 1.612 20 30 BDEDLO Cc1c[nH+]ccc1CCN1CC(C)(C#N)C1 ZINC000576356514 365575712 /nfs/dbraw/zinc/57/57/12/365575712.db2.gz FRJHZHMHVMRZNY-UHFFFAOYSA-N 1 2 215.300 1.778 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)CC(C)(C)O1 ZINC000334195861 136223988 /nfs/dbraw/zinc/22/39/88/136223988.db2.gz MKHUQYXKALCQCJ-SNVBAGLBSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC(C)(C)O1 ZINC000334195861 136223989 /nfs/dbraw/zinc/22/39/89/136223989.db2.gz MKHUQYXKALCQCJ-SNVBAGLBSA-N 1 2 208.305 1.789 20 30 BDEDLO CCNC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000331321602 136226340 /nfs/dbraw/zinc/22/63/40/136226340.db2.gz KXTKRCQYZMWOQR-MRVPVSSYSA-N 1 2 210.281 1.630 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000576595929 365634539 /nfs/dbraw/zinc/63/45/39/365634539.db2.gz RNGJVBSUQLJCEP-QWRGUYRKSA-N 1 2 248.330 1.596 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000576595929 365634544 /nfs/dbraw/zinc/63/45/44/365634544.db2.gz RNGJVBSUQLJCEP-QWRGUYRKSA-N 1 2 248.330 1.596 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291221581 538947566 /nfs/dbraw/zinc/94/75/66/538947566.db2.gz GTAIFSJPQUZBND-SNVBAGLBSA-N 1 2 221.304 1.639 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291221571 538947493 /nfs/dbraw/zinc/94/74/93/538947493.db2.gz GTAIFSJPQUZBND-JTQLQIEISA-N 1 2 221.304 1.639 20 30 BDEDLO C[C@@H](C#N)CN(C)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602446748 349547785 /nfs/dbraw/zinc/54/77/85/349547785.db2.gz IXXJOINOPOJNLU-CMPLNLGQSA-N 1 2 232.331 1.963 20 30 BDEDLO CCN(CC#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602447892 349548726 /nfs/dbraw/zinc/54/87/26/349548726.db2.gz CIIIYIBZEWZQPN-LLVKDONJSA-N 1 2 218.304 1.717 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)C[C@@H](C)C#N)[nH]c1C ZINC000602448976 349550003 /nfs/dbraw/zinc/55/00/03/349550003.db2.gz XFYQFUJBGPQPEZ-VIFPVBQESA-N 1 2 249.314 1.701 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)C#N)[nH]c1C ZINC000602448976 349550005 /nfs/dbraw/zinc/55/00/05/349550005.db2.gz XFYQFUJBGPQPEZ-VIFPVBQESA-N 1 2 249.314 1.701 20 30 BDEDLO CC[N@@H+](Cc1cnc(C)o1)C[C@H](C)C#N ZINC000600112972 342671291 /nfs/dbraw/zinc/67/12/91/342671291.db2.gz PFXBLGCZMVDFBX-SECBINFHSA-N 1 2 207.277 1.965 20 30 BDEDLO CC[N@H+](Cc1cnc(C)o1)C[C@H](C)C#N ZINC000600112972 342671292 /nfs/dbraw/zinc/67/12/92/342671292.db2.gz PFXBLGCZMVDFBX-SECBINFHSA-N 1 2 207.277 1.965 20 30 BDEDLO Cc1[nH]c(CNCC2(C#N)CCC2)[nH+]c1C ZINC000600164079 342693938 /nfs/dbraw/zinc/69/39/38/342693938.db2.gz CHTPCLMYZYHAOL-UHFFFAOYSA-N 1 2 218.304 1.810 20 30 BDEDLO Cc1nc(C)c(C[NH+]2CC(CC#N)C2)o1 ZINC000600180233 342696899 /nfs/dbraw/zinc/69/68/99/342696899.db2.gz JDPUNJUFXDTHAR-UHFFFAOYSA-N 1 2 205.261 1.637 20 30 BDEDLO C[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000187235853 342775882 /nfs/dbraw/zinc/77/58/82/342775882.db2.gz IKGMXXDOYDZHRH-UHFFFAOYSA-N 1 2 247.273 1.085 20 30 BDEDLO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000042488914 342776972 /nfs/dbraw/zinc/77/69/72/342776972.db2.gz OKILQBLNJCJAHZ-VXGBXAGGSA-N 1 2 235.331 1.233 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000042488914 342776973 /nfs/dbraw/zinc/77/69/73/342776973.db2.gz OKILQBLNJCJAHZ-VXGBXAGGSA-N 1 2 235.331 1.233 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000607726399 342782280 /nfs/dbraw/zinc/78/22/80/342782280.db2.gz MABREUIUBAVRMH-UHFFFAOYSA-N 1 2 236.359 1.590 20 30 BDEDLO C=CCOc1ccccc1C[NH+]1CC(C)(O)C1 ZINC000639254083 398285641 /nfs/dbraw/zinc/28/56/41/398285641.db2.gz KDJRYNGOKXEPGL-UHFFFAOYSA-N 1 2 233.311 1.818 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(C2CC2)no1 ZINC000602608268 349632128 /nfs/dbraw/zinc/63/21/28/349632128.db2.gz SPVKFHZGJMEZCJ-MRVPVSSYSA-N 1 2 205.261 1.801 20 30 BDEDLO N#CCC[NH2+]Cc1cccc2c1OCO2 ZINC000036168225 342894027 /nfs/dbraw/zinc/89/40/27/342894027.db2.gz VFVCVFFXYPTZOO-UHFFFAOYSA-N 1 2 204.229 1.419 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC000584002543 342899580 /nfs/dbraw/zinc/89/95/80/342899580.db2.gz DQDWMKKFLJWHQH-NXEZZACHSA-N 1 2 247.302 1.085 20 30 BDEDLO CO[C@@H](C[NH+]1CC(C)(C#N)C1)C1CCOCC1 ZINC000602690263 349687629 /nfs/dbraw/zinc/68/76/29/349687629.db2.gz LODIHSHCFFGHCK-LBPRGKRZSA-N 1 2 238.331 1.273 20 30 BDEDLO C=C(C)C[C@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000602733664 349719092 /nfs/dbraw/zinc/71/90/92/349719092.db2.gz KNDVENNKRNNJQQ-AAEUAGOBSA-N 1 2 243.347 1.899 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602821209 349762030 /nfs/dbraw/zinc/76/20/30/349762030.db2.gz MUFSMOLGVPCDPH-SECBINFHSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602821209 349762033 /nfs/dbraw/zinc/76/20/33/349762033.db2.gz MUFSMOLGVPCDPH-SECBINFHSA-N 1 2 210.277 1.174 20 30 BDEDLO C=CC[N@@H+](C)Cc1cnc(C(=O)OCC)s1 ZINC000602810539 349754947 /nfs/dbraw/zinc/75/49/47/349754947.db2.gz GDIUNPZRKOXIHC-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO C=CC[N@H+](C)Cc1cnc(C(=O)OCC)s1 ZINC000602810539 349754951 /nfs/dbraw/zinc/75/49/51/349754951.db2.gz GDIUNPZRKOXIHC-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602861602 349772846 /nfs/dbraw/zinc/77/28/46/349772846.db2.gz GKEUJFMJMYMLQP-VIFPVBQESA-N 1 2 211.309 1.183 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(C)c1ccccc1 ZINC000602861007 349772852 /nfs/dbraw/zinc/77/28/52/349772852.db2.gz FBRCPWNEHBRPLG-NWDGAFQWSA-N 1 2 245.326 1.930 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCC1CCCCC1 ZINC000602860999 349772914 /nfs/dbraw/zinc/77/29/14/349772914.db2.gz FBPULJQICXBSFA-NSHDSACASA-N 1 2 237.347 1.575 20 30 BDEDLO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602862060 349773324 /nfs/dbraw/zinc/77/33/24/349773324.db2.gz KTMJZANNIDJCGQ-WDEREUQCSA-N 1 2 225.336 1.429 20 30 BDEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602832484 349768808 /nfs/dbraw/zinc/76/88/08/349768808.db2.gz NHNQIHRYFCIWMW-LBPRGKRZSA-N 1 2 249.358 1.621 20 30 BDEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602832484 349768812 /nfs/dbraw/zinc/76/88/12/349768812.db2.gz NHNQIHRYFCIWMW-LBPRGKRZSA-N 1 2 249.358 1.621 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](CCc2cnccn2)C1 ZINC000602807998 349770723 /nfs/dbraw/zinc/77/07/23/349770723.db2.gz XSGSOHNQFKGQDY-ZDUSSCGKSA-N 1 2 230.315 1.645 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2cnccn2)C1 ZINC000602807998 349770725 /nfs/dbraw/zinc/77/07/25/349770725.db2.gz XSGSOHNQFKGQDY-ZDUSSCGKSA-N 1 2 230.315 1.645 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000602860357 349771760 /nfs/dbraw/zinc/77/17/60/349771760.db2.gz BBHUHKHUEFEGSZ-LLVKDONJSA-N 1 2 248.330 1.221 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CC(C)(C)C#N ZINC000353431934 136265469 /nfs/dbraw/zinc/26/54/69/136265469.db2.gz MSLSHYCNHZGEJX-UHFFFAOYSA-N 1 2 220.276 1.308 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000177189950 346923559 /nfs/dbraw/zinc/92/35/59/346923559.db2.gz HQMGRNLOFROEIS-UHFFFAOYSA-N 1 2 249.270 1.819 20 30 BDEDLO C[N@H+](CCC#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000177189950 346923560 /nfs/dbraw/zinc/92/35/60/346923560.db2.gz HQMGRNLOFROEIS-UHFFFAOYSA-N 1 2 249.270 1.819 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359682507 136267361 /nfs/dbraw/zinc/26/73/61/136267361.db2.gz NHNNVCBGCNOJFV-VIFPVBQESA-N 1 2 223.276 1.007 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359682507 136267362 /nfs/dbraw/zinc/26/73/62/136267362.db2.gz NHNNVCBGCNOJFV-VIFPVBQESA-N 1 2 223.276 1.007 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000373795065 136269394 /nfs/dbraw/zinc/26/93/94/136269394.db2.gz CAUWFBQQATWYEG-ZDUSSCGKSA-N 1 2 238.331 1.560 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)C[C@]2(CCCOC2)O1 ZINC000373795065 136269395 /nfs/dbraw/zinc/26/93/95/136269395.db2.gz CAUWFBQQATWYEG-ZDUSSCGKSA-N 1 2 238.331 1.560 20 30 BDEDLO COC(=O)c1cccc(C[NH2+][C@H](C)CC#N)n1 ZINC000602868438 349798592 /nfs/dbraw/zinc/79/85/92/349798592.db2.gz BIXTUHJERHFLSF-SECBINFHSA-N 1 2 233.271 1.260 20 30 BDEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)CC#N ZINC000602866939 349798974 /nfs/dbraw/zinc/79/89/74/349798974.db2.gz AFWZFBJROSWJGE-JTQLQIEISA-N 1 2 229.283 1.959 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602865820 349798249 /nfs/dbraw/zinc/79/82/49/349798249.db2.gz ZJDRBLSLPXTCJX-GARJFASQSA-N 1 2 225.336 1.571 20 30 BDEDLO C=C(CC)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000576946769 365729765 /nfs/dbraw/zinc/72/97/65/365729765.db2.gz BCYOACCIKKGENE-NSHDSACASA-N 1 2 221.304 1.917 20 30 BDEDLO COC(=O)c1coc(C[NH2+]C[C@@H](C)C#N)c1 ZINC000126924288 343171435 /nfs/dbraw/zinc/17/14/35/343171435.db2.gz VAGFQCLUKYBVBW-QMMMGPOBSA-N 1 2 222.244 1.315 20 30 BDEDLO COCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186830662 136275575 /nfs/dbraw/zinc/27/55/75/136275575.db2.gz KTOMMPPLVNVKLA-UHFFFAOYSA-N 1 2 242.250 1.140 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nccs1 ZINC000602869843 349800781 /nfs/dbraw/zinc/80/07/81/349800781.db2.gz PQWXAHLHYAFMOJ-SFYZADRCSA-N 1 2 238.316 1.362 20 30 BDEDLO CC#CCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000274104308 136284672 /nfs/dbraw/zinc/28/46/72/136284672.db2.gz UAYWAHUMBLELMA-NSHDSACASA-N 1 2 226.320 1.750 20 30 BDEDLO C[C@@H](CNC(=O)CCCC#N)Cn1cc[nH+]c1 ZINC000291965298 136288974 /nfs/dbraw/zinc/28/89/74/136288974.db2.gz PLDUSOIMFSGSIT-NSHDSACASA-N 1 2 234.303 1.329 20 30 BDEDLO COc1ncc(C[NH2+][C@H](C)CC#N)c(C)n1 ZINC000602871983 349803609 /nfs/dbraw/zinc/80/36/09/349803609.db2.gz ZEIYEPJFEGQRRT-MRVPVSSYSA-N 1 2 220.276 1.185 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000602871544 349803690 /nfs/dbraw/zinc/80/36/90/349803690.db2.gz SSURKJQCMUHCHE-QMMMGPOBSA-N 1 2 242.300 1.075 20 30 BDEDLO N#Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348715235 136294103 /nfs/dbraw/zinc/29/41/03/136294103.db2.gz PIODIVCWUMBBHW-UHFFFAOYSA-N 1 2 233.246 1.979 20 30 BDEDLO CC[C@@H](Nc1cc(C#N)ncn1)c1[nH]cc[nH+]1 ZINC000310175804 343369064 /nfs/dbraw/zinc/36/90/64/343369064.db2.gz MFQHZFCHAKSGEW-SECBINFHSA-N 1 2 228.259 1.635 20 30 BDEDLO C=C(C)CCn1cc(C[NH2+]CC#CC)nn1 ZINC000641069719 362181471 /nfs/dbraw/zinc/18/14/71/362181471.db2.gz NDRXRWALTYCEGD-UHFFFAOYSA-N 1 2 218.304 1.357 20 30 BDEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335695040 136326589 /nfs/dbraw/zinc/32/65/89/136326589.db2.gz YIUDHHDNVUTQCX-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335695040 136326590 /nfs/dbraw/zinc/32/65/90/136326590.db2.gz YIUDHHDNVUTQCX-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO N#Cc1csc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000335684677 136329995 /nfs/dbraw/zinc/32/99/95/136329995.db2.gz SZOYYFLCZIHSEO-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO N#Cc1csc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000335684677 136329996 /nfs/dbraw/zinc/32/99/96/136329996.db2.gz SZOYYFLCZIHSEO-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCO)CCO2)c1 ZINC000367082517 136331845 /nfs/dbraw/zinc/33/18/45/136331845.db2.gz XMYFSOLCUDVXLG-AWEZNQCLSA-N 1 2 246.310 1.314 20 30 BDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCO)CCO2)c1 ZINC000367082517 136331846 /nfs/dbraw/zinc/33/18/46/136331846.db2.gz XMYFSOLCUDVXLG-AWEZNQCLSA-N 1 2 246.310 1.314 20 30 BDEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602896026 349812645 /nfs/dbraw/zinc/81/26/45/349812645.db2.gz FGFXTQKKGZCQNT-LLVKDONJSA-N 1 2 216.288 1.917 20 30 BDEDLO N#CCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602896026 349812648 /nfs/dbraw/zinc/81/26/48/349812648.db2.gz FGFXTQKKGZCQNT-LLVKDONJSA-N 1 2 216.288 1.917 20 30 BDEDLO Cc1ccnc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000616751311 343559731 /nfs/dbraw/zinc/55/97/31/343559731.db2.gz NPIWPUHQVYGFPA-NSHDSACASA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccnc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000616751311 343559734 /nfs/dbraw/zinc/55/97/34/343559734.db2.gz NPIWPUHQVYGFPA-NSHDSACASA-N 1 2 203.289 1.982 20 30 BDEDLO COCC[N@H+](CCC#N)CCn1cc(C)cn1 ZINC000379716819 343606666 /nfs/dbraw/zinc/60/66/66/343606666.db2.gz OIYIAMKSHDHEMY-UHFFFAOYSA-N 1 2 236.319 1.054 20 30 BDEDLO COCC[N@@H+](CCC#N)CCn1cc(C)cn1 ZINC000379716819 343606667 /nfs/dbraw/zinc/60/66/67/343606667.db2.gz OIYIAMKSHDHEMY-UHFFFAOYSA-N 1 2 236.319 1.054 20 30 BDEDLO COCC[N@H+](CCC#N)CCc1ccccn1 ZINC000071230891 343636799 /nfs/dbraw/zinc/63/67/99/343636799.db2.gz JWEOHIDEZCBYFN-UHFFFAOYSA-N 1 2 233.315 1.486 20 30 BDEDLO COCC[N@@H+](CCC#N)CCc1ccccn1 ZINC000071230891 343636801 /nfs/dbraw/zinc/63/68/01/343636801.db2.gz JWEOHIDEZCBYFN-UHFFFAOYSA-N 1 2 233.315 1.486 20 30 BDEDLO N#CCC[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924793 349820630 /nfs/dbraw/zinc/82/06/30/349820630.db2.gz QXFDOGHCRLMMHX-CHWSQXEVSA-N 1 2 232.283 1.024 20 30 BDEDLO N#CCC[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924793 349820631 /nfs/dbraw/zinc/82/06/31/349820631.db2.gz QXFDOGHCRLMMHX-CHWSQXEVSA-N 1 2 232.283 1.024 20 30 BDEDLO C#CC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273148614 166191224 /nfs/dbraw/zinc/19/12/24/166191224.db2.gz WJQVGISBAGDQQW-JTQLQIEISA-N 1 2 211.211 1.221 20 30 BDEDLO COc1cncc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602981956 349832703 /nfs/dbraw/zinc/83/27/03/349832703.db2.gz LSYDVVSEXWODGS-PWSUYJOCSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1cncc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602981956 349832704 /nfs/dbraw/zinc/83/27/04/349832704.db2.gz LSYDVVSEXWODGS-PWSUYJOCSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nn1 ZINC000602981874 349832963 /nfs/dbraw/zinc/83/29/63/349832963.db2.gz KPIQHZBMTVABQV-JQWIXIFHSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nn1 ZINC000602981874 349832965 /nfs/dbraw/zinc/83/29/65/349832965.db2.gz KPIQHZBMTVABQV-JQWIXIFHSA-N 1 2 246.314 1.609 20 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1.231 20 30 BDEDLO CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)C1CC1 ZINC000602977165 349841843 /nfs/dbraw/zinc/84/18/43/349841843.db2.gz YSPVWJZOZUUZLS-JQWIXIFHSA-N 1 2 235.331 1.231 20 30 BDEDLO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977143 349841909 /nfs/dbraw/zinc/84/19/09/349841909.db2.gz YLJNLVNCFRSUAK-VXGBXAGGSA-N 1 2 235.331 1.137 20 30 BDEDLO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977143 349841912 /nfs/dbraw/zinc/84/19/12/349841912.db2.gz YLJNLVNCFRSUAK-VXGBXAGGSA-N 1 2 235.331 1.137 20 30 BDEDLO Cn1nccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980327 349845156 /nfs/dbraw/zinc/84/51/56/349845156.db2.gz OUFOFMBHGLQGRB-PWSUYJOCSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1nccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980327 349845158 /nfs/dbraw/zinc/84/51/58/349845158.db2.gz OUFOFMBHGLQGRB-PWSUYJOCSA-N 1 2 218.304 1.544 20 30 BDEDLO C[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602980289 349845435 /nfs/dbraw/zinc/84/54/35/349845435.db2.gz 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QWBUFXALOFXWFJ-SNVBAGLBSA-N 1 2 211.305 1.906 20 30 BDEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000091980741 344452844 /nfs/dbraw/zinc/45/28/44/344452844.db2.gz BSGWJJRRPQLIDJ-JTQLQIEISA-N 1 2 220.272 1.762 20 30 BDEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000091980741 344452846 /nfs/dbraw/zinc/45/28/46/344452846.db2.gz BSGWJJRRPQLIDJ-JTQLQIEISA-N 1 2 220.272 1.762 20 30 BDEDLO Cn1ccc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000135518136 344530436 /nfs/dbraw/zinc/53/04/36/344530436.db2.gz QGTNWHQDFPVQNA-UHFFFAOYSA-N 1 2 216.244 1.175 20 30 BDEDLO C=C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)OC ZINC000381705714 344537928 /nfs/dbraw/zinc/53/79/28/344537928.db2.gz JFJBGOFUIRUKTR-AXFHLTTASA-N 1 2 227.304 1.119 20 30 BDEDLO C=CCOCCNc1cc(CO)cc[nH+]1 ZINC000641484375 362452510 /nfs/dbraw/zinc/45/25/10/362452510.db2.gz OVGRPZLOMKGIIM-UHFFFAOYSA-N 1 2 208.261 1.188 20 30 BDEDLO COCC#CC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626022664 344678078 /nfs/dbraw/zinc/67/80/78/344678078.db2.gz DQVRBRKBIPXJPD-UHFFFAOYSA-N 1 2 231.295 1.661 20 30 BDEDLO COCC#CC[N@H+]1Cc2cccc(OC)c2C1 ZINC000626022664 344678081 /nfs/dbraw/zinc/67/80/81/344678081.db2.gz DQVRBRKBIPXJPD-UHFFFAOYSA-N 1 2 231.295 1.661 20 30 BDEDLO COc1ccc(O)c(/C=[NH+]/CC2(C)COC2)c1 ZINC000112561718 344646311 /nfs/dbraw/zinc/64/63/11/344646311.db2.gz AYVACAOSAUZJIB-MKMNVTDBSA-N 1 2 235.283 1.856 20 30 BDEDLO COc1cccc(/C=[NH+]/CC2(C)COC2)c1O ZINC000112561683 344646477 /nfs/dbraw/zinc/64/64/77/344646477.db2.gz VWOXSTFHWSJEFZ-MKMNVTDBSA-N 1 2 235.283 1.856 20 30 BDEDLO NC(CCO)=[NH+]OCc1cccc(F)c1F ZINC000121320371 344920016 /nfs/dbraw/zinc/92/00/16/344920016.db2.gz VQMIQRSSESMKNJ-UHFFFAOYSA-N 1 2 230.214 1.136 20 30 BDEDLO Cc1nc(C)c(C(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000331180889 345046304 /nfs/dbraw/zinc/04/63/04/345046304.db2.gz MOVYPKZPFIGVQS-UHFFFAOYSA-N 1 2 234.259 1.828 20 30 BDEDLO CC#CCC[N@@H+](C)Cc1nc(CCOC)no1 ZINC000156062556 345118572 /nfs/dbraw/zinc/11/85/72/345118572.db2.gz NGBKIQIDGXOQOC-UHFFFAOYSA-N 1 2 237.303 1.104 20 30 BDEDLO CC#CCC[N@H+](C)Cc1nc(CCOC)no1 ZINC000156062556 345118574 /nfs/dbraw/zinc/11/85/74/345118574.db2.gz NGBKIQIDGXOQOC-UHFFFAOYSA-N 1 2 237.303 1.104 20 30 BDEDLO Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)c(C#N)c[nH+]1 ZINC000425256460 192086001 /nfs/dbraw/zinc/08/60/01/192086001.db2.gz BNBUZGHJPKLCNC-SRVKXCTJSA-N 1 2 245.326 1.909 20 30 BDEDLO Cc1cc(NCCCC2(O)CCC2)c(C#N)c[nH+]1 ZINC000425279646 192088114 /nfs/dbraw/zinc/08/81/14/192088114.db2.gz ITVSEMDLFXECGE-UHFFFAOYSA-N 1 2 245.326 1.791 20 30 BDEDLO CCCn1cc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000381349352 345437311 /nfs/dbraw/zinc/43/73/11/345437311.db2.gz BHNRBYPIEVCTQS-UHFFFAOYSA-N 1 2 218.304 1.686 20 30 BDEDLO N#CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000082275231 345500562 /nfs/dbraw/zinc/50/05/62/345500562.db2.gz XSTTZEBJTMYRFU-VIFPVBQESA-N 1 2 218.260 1.377 20 30 BDEDLO C[N@H+](C[C@H]1CCCC[C@@H]1O)C(C)(C)C#N ZINC000162499757 345719034 /nfs/dbraw/zinc/71/90/34/345719034.db2.gz YCKIUOJXMUPTBV-MNOVXSKESA-N 1 2 210.321 1.771 20 30 BDEDLO C[N@@H+](C[C@H]1CCCC[C@@H]1O)C(C)(C)C#N ZINC000162499757 345719036 /nfs/dbraw/zinc/71/90/36/345719036.db2.gz YCKIUOJXMUPTBV-MNOVXSKESA-N 1 2 210.321 1.771 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCOCC1 ZINC000363528006 345763787 /nfs/dbraw/zinc/76/37/87/345763787.db2.gz NVXVMSUYWJGPTO-NSHDSACASA-N 1 2 207.277 1.152 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCOCC1 ZINC000363528006 345763789 /nfs/dbraw/zinc/76/37/89/345763789.db2.gz NVXVMSUYWJGPTO-NSHDSACASA-N 1 2 207.277 1.152 20 30 BDEDLO Cc1nc(N2C[C@@H](C)N(CC#N)[C@H](C)C2)cc[nH+]1 ZINC000603403083 349938299 /nfs/dbraw/zinc/93/82/99/349938299.db2.gz UQAGHKTZQQHOOJ-GHMZBOCLSA-N 1 2 245.330 1.208 20 30 BDEDLO N#CC1(C[NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000331857530 346031360 /nfs/dbraw/zinc/03/13/60/346031360.db2.gz IDVKZOHJHWHYSM-JTQLQIEISA-N 1 2 222.313 1.675 20 30 BDEDLO C=CCCN(C)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635840062 346082991 /nfs/dbraw/zinc/08/29/91/346082991.db2.gz NZGNBUHXRJNBCC-UHFFFAOYSA-N 1 2 221.304 1.549 20 30 BDEDLO CC#CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635778183 346062901 /nfs/dbraw/zinc/06/29/01/346062901.db2.gz KTNUWNAPLAUZKI-NXEZZACHSA-N 1 2 217.272 1.043 20 30 BDEDLO CC#CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635778183 346062902 /nfs/dbraw/zinc/06/29/02/346062902.db2.gz KTNUWNAPLAUZKI-NXEZZACHSA-N 1 2 217.272 1.043 20 30 BDEDLO C=CCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636168553 346343313 /nfs/dbraw/zinc/34/33/13/346343313.db2.gz BQHOHCPKUDLLGY-UHFFFAOYSA-N 1 2 207.277 1.207 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]CCC#N)s1 ZINC000574911947 346410167 /nfs/dbraw/zinc/41/01/67/346410167.db2.gz JESYCJDWOJWZLG-UHFFFAOYSA-N 1 2 224.285 1.538 20 30 BDEDLO CC[N@H+](CCNC(=O)NC(C)C)C[C@@H](C)C#N ZINC000574914088 346409445 /nfs/dbraw/zinc/40/94/45/346409445.db2.gz XZGWGSLVQVUTPL-NSHDSACASA-N 1 2 240.351 1.176 20 30 BDEDLO CC[N@@H+](CCNC(=O)NC(C)C)C[C@@H](C)C#N ZINC000574914088 346409447 /nfs/dbraw/zinc/40/94/47/346409447.db2.gz XZGWGSLVQVUTPL-NSHDSACASA-N 1 2 240.351 1.176 20 30 BDEDLO C[N@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000170646064 346429539 /nfs/dbraw/zinc/42/95/39/346429539.db2.gz FHEVTRKPNLJOJN-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO C[N@@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000170646064 346429542 /nfs/dbraw/zinc/42/95/42/346429542.db2.gz FHEVTRKPNLJOJN-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ccon2)c(F)c1 ZINC000148797125 346445123 /nfs/dbraw/zinc/44/51/23/346445123.db2.gz QECPYFYRNKIGLL-UHFFFAOYSA-N 1 2 231.230 1.975 20 30 BDEDLO C=CC[N@@H+](CCC#N)Cc1ccn(C)c(=O)c1 ZINC000590001797 346760994 /nfs/dbraw/zinc/76/09/94/346760994.db2.gz XUBPTWUPVFHLJS-UHFFFAOYSA-N 1 2 231.299 1.287 20 30 BDEDLO C=CC[N@H+](CCC#N)Cc1ccn(C)c(=O)c1 ZINC000590001797 346760998 /nfs/dbraw/zinc/76/09/98/346760998.db2.gz XUBPTWUPVFHLJS-UHFFFAOYSA-N 1 2 231.299 1.287 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000589812186 346740481 /nfs/dbraw/zinc/74/04/81/346740481.db2.gz RLGCAGUVBAFHTG-CYBMUJFWSA-N 1 2 246.314 1.472 20 30 BDEDLO COCCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000183260575 347123440 /nfs/dbraw/zinc/12/34/40/347123440.db2.gz RYPPRTGQNVIOMH-UHFFFAOYSA-N 1 2 238.287 1.369 20 30 BDEDLO C=Cn1cc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000380079426 365865204 /nfs/dbraw/zinc/86/52/04/365865204.db2.gz GBFXYJNEVOEOAR-UHFFFAOYSA-N 1 2 202.261 1.377 20 30 BDEDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1CC1(C#N)CC1 ZINC000590184453 346788783 /nfs/dbraw/zinc/78/87/83/346788783.db2.gz PZONCCPNABPMQT-LBPRGKRZSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1CC1(C#N)CC1 ZINC000590184453 346788786 /nfs/dbraw/zinc/78/87/86/346788786.db2.gz PZONCCPNABPMQT-LBPRGKRZSA-N 1 2 249.358 1.527 20 30 BDEDLO C[C@H](C#N)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364045940 347246155 /nfs/dbraw/zinc/24/61/55/347246155.db2.gz OORUCIBGHRXNPY-DGCLKSJQSA-N 1 2 215.300 1.858 20 30 BDEDLO C[C@H](C#N)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364045940 347246158 /nfs/dbraw/zinc/24/61/58/347246158.db2.gz OORUCIBGHRXNPY-DGCLKSJQSA-N 1 2 215.300 1.858 20 30 BDEDLO CCC[C@@H](O)C[N@@H+](CCC#N)CCOC ZINC000590698209 347492624 /nfs/dbraw/zinc/49/26/24/347492624.db2.gz QSMYEGNVJCDZQM-LLVKDONJSA-N 1 2 214.309 1.009 20 30 BDEDLO CCC[C@@H](O)C[N@H+](CCC#N)CCOC ZINC000590698209 347492626 /nfs/dbraw/zinc/49/26/26/347492626.db2.gz QSMYEGNVJCDZQM-LLVKDONJSA-N 1 2 214.309 1.009 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccnc2N)C1 ZINC000590715630 347500241 /nfs/dbraw/zinc/50/02/41/347500241.db2.gz ZODQXFKGNPREPR-CYBMUJFWSA-N 1 2 230.315 1.789 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccnc2N)C1 ZINC000590715630 347500243 /nfs/dbraw/zinc/50/02/43/347500243.db2.gz ZODQXFKGNPREPR-CYBMUJFWSA-N 1 2 230.315 1.789 20 30 BDEDLO CCn1c[nH+]cc1CN1CC[C@@](F)(C#N)C1 ZINC000591356773 347644835 /nfs/dbraw/zinc/64/48/35/347644835.db2.gz GAIVPOYRTJJQJL-LLVKDONJSA-N 1 2 222.267 1.341 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(=O)OC ZINC000591375019 347649548 /nfs/dbraw/zinc/64/95/48/347649548.db2.gz SKORJJILWIEINM-DCAQKATOSA-N 1 2 222.288 1.386 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1(COC)CCC1)C(=O)OC ZINC000591374461 347649748 /nfs/dbraw/zinc/64/97/48/347649748.db2.gz HTVSOZFGRGIXFZ-LLVKDONJSA-N 1 2 241.331 1.510 20 30 BDEDLO CC[C@H](C)C[C@@H](CO)Nc1cc(C)[nH+]cc1C#N ZINC000591981667 347720619 /nfs/dbraw/zinc/72/06/19/347720619.db2.gz MTLQXMHGUJATJG-GWCFXTLKSA-N 1 2 247.342 1.893 20 30 BDEDLO CCC1(O)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592072036 347728510 /nfs/dbraw/zinc/72/85/10/347728510.db2.gz FQDKRBZLMOMDFF-UHFFFAOYSA-N 1 2 245.326 1.690 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCCOC1 ZINC000592123669 347737651 /nfs/dbraw/zinc/73/76/51/347737651.db2.gz XVAMMOSEELEVHI-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCCOC1 ZINC000592123669 347737653 /nfs/dbraw/zinc/73/76/53/347737653.db2.gz XVAMMOSEELEVHI-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150433 347741563 /nfs/dbraw/zinc/74/15/63/347741563.db2.gz CLKDTPSBMJUFBQ-ZYHUDNBSSA-N 1 2 235.287 1.395 20 30 BDEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150433 347741565 /nfs/dbraw/zinc/74/15/65/347741565.db2.gz CLKDTPSBMJUFBQ-ZYHUDNBSSA-N 1 2 235.287 1.395 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000592524024 347795056 /nfs/dbraw/zinc/79/50/56/347795056.db2.gz SRLVKFFAUHUYCV-NSHDSACASA-N 1 2 240.690 1.783 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000592524024 347795058 /nfs/dbraw/zinc/79/50/58/347795058.db2.gz SRLVKFFAUHUYCV-NSHDSACASA-N 1 2 240.690 1.783 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029290 347847379 /nfs/dbraw/zinc/84/73/79/347847379.db2.gz SQCXXCSPOGEIRP-NXEZZACHSA-N 1 2 249.318 1.382 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000593029290 347847380 /nfs/dbraw/zinc/84/73/80/347847380.db2.gz SQCXXCSPOGEIRP-NXEZZACHSA-N 1 2 249.318 1.382 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccoc1 ZINC000593154512 347866808 /nfs/dbraw/zinc/86/68/08/347866808.db2.gz ZMVBPOAYKRFNAB-CYBMUJFWSA-N 1 2 249.314 1.172 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000593442728 347891667 /nfs/dbraw/zinc/89/16/67/347891667.db2.gz ZMXQLKCLIHMESG-NSHDSACASA-N 1 2 246.314 1.596 20 30 BDEDLO CC(C)Oc1cc[nH+]c(Cn2ccnc2C#N)c1 ZINC000593422927 347895030 /nfs/dbraw/zinc/89/50/30/347895030.db2.gz QQPPMXGJKJNAMX-UHFFFAOYSA-N 1 2 242.282 1.985 20 30 BDEDLO CC[C@H](C#N)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000593482375 347896965 /nfs/dbraw/zinc/89/69/65/347896965.db2.gz XEVCIGSRAGTBFO-GHMZBOCLSA-N 1 2 234.303 1.185 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000593484592 347897292 /nfs/dbraw/zinc/89/72/92/347897292.db2.gz QDFULFZGLNUBNG-NSHDSACASA-N 1 2 248.330 1.705 20 30 BDEDLO C[C@H](CC(=O)NCC(C)(C)C#N)n1cc[nH+]c1 ZINC000593593386 347914938 /nfs/dbraw/zinc/91/49/38/347914938.db2.gz AUMRJMUGXLKIAD-SNVBAGLBSA-N 1 2 234.303 1.500 20 30 BDEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@H](COC)C(=O)OC)C1 ZINC000593625952 347917174 /nfs/dbraw/zinc/91/71/74/347917174.db2.gz QXIQHIOTVFLRFK-GRYCIOLGSA-N 1 2 241.331 1.509 20 30 BDEDLO CC[C@H](C#N)C(=O)NCCNc1cccc[nH+]1 ZINC000593894002 347957543 /nfs/dbraw/zinc/95/75/43/347957543.db2.gz QRLMGTAGGBUIJV-SNVBAGLBSA-N 1 2 232.287 1.159 20 30 BDEDLO C[C@H](O)C[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000594058888 347996291 /nfs/dbraw/zinc/99/62/91/347996291.db2.gz UHFFPEJLZAYSFV-JTQLQIEISA-N 1 2 231.299 1.298 20 30 BDEDLO C[C@H](O)C[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000594058888 347996293 /nfs/dbraw/zinc/99/62/93/347996293.db2.gz UHFFPEJLZAYSFV-JTQLQIEISA-N 1 2 231.299 1.298 20 30 BDEDLO C[C@H](O)C[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000594065495 347997204 /nfs/dbraw/zinc/99/72/04/347997204.db2.gz QUBPPHZGEZQDST-QMMMGPOBSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@H](O)C[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000594065495 347997208 /nfs/dbraw/zinc/99/72/08/347997208.db2.gz QUBPPHZGEZQDST-QMMMGPOBSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594253240 348026521 /nfs/dbraw/zinc/02/65/21/348026521.db2.gz OXHLXWIPYUYRQX-ZJUUUORDSA-N 1 2 234.303 1.206 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594253240 348026525 /nfs/dbraw/zinc/02/65/25/348026525.db2.gz OXHLXWIPYUYRQX-ZJUUUORDSA-N 1 2 234.303 1.206 20 30 BDEDLO Cn1c[nH+]cc1Cc1noc(CCCCC#N)n1 ZINC000594544405 348066896 /nfs/dbraw/zinc/06/68/96/348066896.db2.gz KMNAHKRVGVODBD-UHFFFAOYSA-N 1 2 245.286 1.630 20 30 BDEDLO CC1(C)C[NH+](CC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000594339702 348035837 /nfs/dbraw/zinc/03/58/37/348035837.db2.gz VBJRFWIILMHITO-CQSZACIVSA-N 1 2 249.358 1.480 20 30 BDEDLO C=C[C@@H]([NH2+]CCC1CC(OC)C1)C(=O)OC ZINC000594725201 348108388 /nfs/dbraw/zinc/10/83/88/348108388.db2.gz VOOAHHZIYBEXIK-VQXHTEKXSA-N 1 2 227.304 1.119 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594605466 348080500 /nfs/dbraw/zinc/08/05/00/348080500.db2.gz BAFKLPHWFRCRKT-SNVBAGLBSA-N 1 2 218.304 1.469 20 30 BDEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000389627637 537999924 /nfs/dbraw/zinc/99/99/24/537999924.db2.gz LBSJPPHCKQJAIU-IUCAKERBSA-N 1 2 207.277 1.831 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595333046 348229090 /nfs/dbraw/zinc/22/90/90/348229090.db2.gz MNOWOFOVJPKZIB-RWMBFGLXSA-N 1 2 249.358 1.669 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595333046 348229092 /nfs/dbraw/zinc/22/90/92/348229092.db2.gz MNOWOFOVJPKZIB-RWMBFGLXSA-N 1 2 249.358 1.669 20 30 BDEDLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc(C#N)cc1 ZINC000595547501 348267763 /nfs/dbraw/zinc/26/77/63/348267763.db2.gz PXHQRFROYCTGAC-UHFFFAOYSA-N 1 2 244.254 1.279 20 30 BDEDLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc(C#N)cc1 ZINC000595547501 348267764 /nfs/dbraw/zinc/26/77/64/348267764.db2.gz PXHQRFROYCTGAC-UHFFFAOYSA-N 1 2 244.254 1.279 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701254 348307591 /nfs/dbraw/zinc/30/75/91/348307591.db2.gz FGMOADVZBCOFBC-LBPRGKRZSA-N 1 2 247.273 1.212 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701254 348307594 /nfs/dbraw/zinc/30/75/94/348307594.db2.gz FGMOADVZBCOFBC-LBPRGKRZSA-N 1 2 247.273 1.212 20 30 BDEDLO CC[N@H+](CCC(=O)NC(C)C)[C@@H](C)C#N ZINC000595813416 348352731 /nfs/dbraw/zinc/35/27/31/348352731.db2.gz MOWUBBUXGDEDGN-JTQLQIEISA-N 1 2 211.309 1.135 20 30 BDEDLO CC[N@@H+](CCC(=O)NC(C)C)[C@@H](C)C#N ZINC000595813416 348352735 /nfs/dbraw/zinc/35/27/35/348352735.db2.gz MOWUBBUXGDEDGN-JTQLQIEISA-N 1 2 211.309 1.135 20 30 BDEDLO C[C@@H](C#N)[N@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000595720855 348327482 /nfs/dbraw/zinc/32/74/82/348327482.db2.gz MPUDGVVRNAZTOF-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000595720855 348327483 /nfs/dbraw/zinc/32/74/83/348327483.db2.gz MPUDGVVRNAZTOF-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)on1 ZINC000595833711 348367234 /nfs/dbraw/zinc/36/72/34/348367234.db2.gz IYGJLMRIOBSTFS-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)on1 ZINC000595833711 348367236 /nfs/dbraw/zinc/36/72/36/348367236.db2.gz IYGJLMRIOBSTFS-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000595835442 348368890 /nfs/dbraw/zinc/36/88/90/348368890.db2.gz PVKWDSKXUGTDQQ-CQSZACIVSA-N 1 2 249.358 1.625 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000595835442 348368894 /nfs/dbraw/zinc/36/88/94/348368894.db2.gz PVKWDSKXUGTDQQ-CQSZACIVSA-N 1 2 249.358 1.625 20 30 BDEDLO Cc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595839695 348373353 /nfs/dbraw/zinc/37/33/53/348373353.db2.gz IFJBDXZGQDQCEJ-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595839695 348373355 /nfs/dbraw/zinc/37/33/55/348373355.db2.gz IFJBDXZGQDQCEJ-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1nocc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840623 348374208 /nfs/dbraw/zinc/37/42/08/348374208.db2.gz CDUMHBIQNVZUIN-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1nocc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840623 348374211 /nfs/dbraw/zinc/37/42/11/348374211.db2.gz CDUMHBIQNVZUIN-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840634 348374369 /nfs/dbraw/zinc/37/43/69/348374369.db2.gz CFXHTJUPGUJWIP-WCQYABFASA-N 1 2 238.331 1.810 20 30 BDEDLO COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840634 348374370 /nfs/dbraw/zinc/37/43/70/348374370.db2.gz CFXHTJUPGUJWIP-WCQYABFASA-N 1 2 238.331 1.810 20 30 BDEDLO COc1cncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841062 348375283 /nfs/dbraw/zinc/37/52/83/348375283.db2.gz GSYHXXNDMVQSCZ-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cncc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841062 348375284 /nfs/dbraw/zinc/37/52/84/348375284.db2.gz GSYHXXNDMVQSCZ-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cc[nH+]c(CN2CC[C@@](C)(C#N)C2)c1 ZINC000595841379 348376329 /nfs/dbraw/zinc/37/63/29/348376329.db2.gz VMIKAFNTKLQWFM-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841725 348376602 /nfs/dbraw/zinc/37/66/02/348376602.db2.gz 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/nfs/dbraw/zinc/38/19/92/348381992.db2.gz RTWMCMDNWJZRLR-LBPRGKRZSA-N 1 2 218.304 1.427 20 30 BDEDLO Cc1nccn1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844258 348381994 /nfs/dbraw/zinc/38/19/94/348381994.db2.gz RTWMCMDNWJZRLR-LBPRGKRZSA-N 1 2 218.304 1.427 20 30 BDEDLO CC[N@H+](C[C@@H](O)CCOC(C)C)[C@@H](C)C#N ZINC000595819418 348359544 /nfs/dbraw/zinc/35/95/44/348359544.db2.gz ADLBDCIMUNFMDA-RYUDHWBXSA-N 1 2 228.336 1.396 20 30 BDEDLO CC[N@@H+](C[C@@H](O)CCOC(C)C)[C@@H](C)C#N ZINC000595819418 348359547 /nfs/dbraw/zinc/35/95/47/348359547.db2.gz ADLBDCIMUNFMDA-RYUDHWBXSA-N 1 2 228.336 1.396 20 30 BDEDLO CC1CCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595833023 348366314 /nfs/dbraw/zinc/36/63/14/348366314.db2.gz DZBXXHSENJCHKJ-CQSZACIVSA-N 1 2 249.358 1.480 20 30 BDEDLO CC1CCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595833023 348366317 /nfs/dbraw/zinc/36/63/17/348366317.db2.gz DZBXXHSENJCHKJ-CQSZACIVSA-N 1 2 249.358 1.480 20 30 BDEDLO CC12CC(C1)C[N@@H+]2Cc1nc(C#N)cs1 ZINC000595919600 348400911 /nfs/dbraw/zinc/40/09/11/348400911.db2.gz KRDVPCIVKCKQJT-UHFFFAOYSA-N 1 2 219.313 1.999 20 30 BDEDLO CC12CC(C1)C[N@H+]2Cc1nc(C#N)cs1 ZINC000595919600 348400912 /nfs/dbraw/zinc/40/09/12/348400912.db2.gz KRDVPCIVKCKQJT-UHFFFAOYSA-N 1 2 219.313 1.999 20 30 BDEDLO Cn1ncc(C#N)c1NCCCCn1cc[nH+]c1 ZINC000596186210 348455976 /nfs/dbraw/zinc/45/59/76/348455976.db2.gz RWKIGUJKKXFKFR-UHFFFAOYSA-N 1 2 244.302 1.381 20 30 BDEDLO C[C@H]1C[C@@H](Nc2cc(C#N)cnn2)c2[nH+]ccn21 ZINC000596257135 348476733 /nfs/dbraw/zinc/47/67/33/348476733.db2.gz MAONVTMDGCJKHN-WCBMZHEXSA-N 1 2 240.270 1.085 20 30 BDEDLO CNc1[nH+]cnc2c1cnn2CC1(CC#N)CC1 ZINC000596270627 348481401 /nfs/dbraw/zinc/48/14/01/348481401.db2.gz LORQPGPREZZTLO-UHFFFAOYSA-N 1 2 242.286 1.562 20 30 BDEDLO C[C@H](Nc1nccnc1C#N)c1[nH+]ccn1C ZINC000596541850 348583651 /nfs/dbraw/zinc/58/36/51/348583651.db2.gz GUCUGWKUULRXRS-QMMMGPOBSA-N 1 2 228.259 1.255 20 30 BDEDLO Cc1cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000596470214 348563574 /nfs/dbraw/zinc/56/35/74/348563574.db2.gz TYOSROAKUYSKKN-MSRIBSCDSA-N 1 2 245.326 1.715 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597036737 348646920 /nfs/dbraw/zinc/64/69/20/348646920.db2.gz XYJXKLREBDBZHP-MFKMUULPSA-N 1 2 246.314 1.254 20 30 BDEDLO C[C@H](C#N)CNCc1c[nH+]c2n1CCC2 ZINC000597084359 348655210 /nfs/dbraw/zinc/65/52/10/348655210.db2.gz YWQCFERGLXORMQ-SECBINFHSA-N 1 2 204.277 1.079 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnc2n1CCC2 ZINC000597084359 348655213 /nfs/dbraw/zinc/65/52/13/348655213.db2.gz YWQCFERGLXORMQ-SECBINFHSA-N 1 2 204.277 1.079 20 30 BDEDLO CC[C@@H](CC#N)NCc1c[nH+]c2n1CCC2 ZINC000597085353 348655818 /nfs/dbraw/zinc/65/58/18/348655818.db2.gz DKPYZGCYIWHXEF-JTQLQIEISA-N 1 2 218.304 1.611 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc2n1CCC2 ZINC000597085353 348655820 /nfs/dbraw/zinc/65/58/20/348655820.db2.gz DKPYZGCYIWHXEF-JTQLQIEISA-N 1 2 218.304 1.611 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccnn1CC1CC1 ZINC000597081700 348658466 /nfs/dbraw/zinc/65/84/66/348658466.db2.gz CTXADZUTFNANRH-JTQLQIEISA-N 1 2 218.304 1.542 20 30 BDEDLO N#CCC1C[NH+](Cc2cnc3ccccn23)C1 ZINC000597193617 348671363 /nfs/dbraw/zinc/67/13/63/348671363.db2.gz IPAUMABSZYDLNS-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO CC(C)n1cc[nH+]c1CN[C@H](C)CC#N ZINC000597082469 348658973 /nfs/dbraw/zinc/65/89/73/348658973.db2.gz KQGZILHREIJHCF-SNVBAGLBSA-N 1 2 206.293 1.856 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000597134945 348660723 /nfs/dbraw/zinc/66/07/23/348660723.db2.gz MGHLKHLGJKTUEN-RYUDHWBXSA-N 1 2 246.314 1.596 20 30 BDEDLO Cc1[nH+]cc(CN2CCC[C@@H](CC#N)C2)n1C ZINC000597175617 348669491 /nfs/dbraw/zinc/66/94/91/348669491.db2.gz BUAXGQFBIRPLJL-LBPRGKRZSA-N 1 2 232.331 1.854 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231334 348698432 /nfs/dbraw/zinc/69/84/32/348698432.db2.gz LAUTUWFUDPOONM-CYBMUJFWSA-N 1 2 232.331 1.718 20 30 BDEDLO CCc1nn(C)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231334 348698434 /nfs/dbraw/zinc/69/84/34/348698434.db2.gz LAUTUWFUDPOONM-CYBMUJFWSA-N 1 2 232.331 1.718 20 30 BDEDLO CCc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597231773 348699618 /nfs/dbraw/zinc/69/96/18/348699618.db2.gz OSGQDBQVMSSUMY-ZDUSSCGKSA-N 1 2 230.315 1.775 20 30 BDEDLO CCc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597231773 348699622 /nfs/dbraw/zinc/69/96/22/348699622.db2.gz OSGQDBQVMSSUMY-ZDUSSCGKSA-N 1 2 230.315 1.775 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)CC#N)CC2 ZINC000597491344 348750568 /nfs/dbraw/zinc/75/05/68/348750568.db2.gz DVFMURIXFXNAMO-VIFPVBQESA-N 1 2 232.287 1.084 20 30 BDEDLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C)C#N ZINC000598349480 348936272 /nfs/dbraw/zinc/93/62/72/348936272.db2.gz KYMWCBFOWFPHPH-QWRGUYRKSA-N 1 2 246.314 1.206 20 30 BDEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](C)C#N ZINC000598362019 348947754 /nfs/dbraw/zinc/94/77/54/348947754.db2.gz VGFCVHYROPKDGI-VIFPVBQESA-N 1 2 220.276 1.103 20 30 BDEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](C)C#N ZINC000598362019 348947756 /nfs/dbraw/zinc/94/77/56/348947756.db2.gz VGFCVHYROPKDGI-VIFPVBQESA-N 1 2 220.276 1.103 20 30 BDEDLO CC(C)(C(=O)NCC1(C#N)CC1)c1c[nH]c[nH+]1 ZINC000598698115 349018340 /nfs/dbraw/zinc/01/83/40/349018340.db2.gz MFCYWZFTIKAJTI-UHFFFAOYSA-N 1 2 232.287 1.107 20 30 BDEDLO CCOc1cncc(C[NH2+]C[C@@H](C)C#N)c1 ZINC000598673781 349019451 /nfs/dbraw/zinc/01/94/51/349019451.db2.gz KQPQDRYRVIITHV-JTQLQIEISA-N 1 2 219.288 1.730 20 30 BDEDLO N#CCC[C@H](C#N)CN1CCc2[nH+]c[nH]c2C1 ZINC000599430433 349188036 /nfs/dbraw/zinc/18/80/36/349188036.db2.gz REVIMCOGBNEANK-SNVBAGLBSA-N 1 2 229.287 1.211 20 30 BDEDLO COC[C@@]1(C)C[N@H+](CC2(C#N)CC2)CCO1 ZINC000599697761 349248341 /nfs/dbraw/zinc/24/83/41/349248341.db2.gz QAGIQHZXYDBFIP-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO COC[C@@]1(C)C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000599697761 349248344 /nfs/dbraw/zinc/24/83/44/349248344.db2.gz QAGIQHZXYDBFIP-LLVKDONJSA-N 1 2 224.304 1.027 20 30 BDEDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCC#N)[C@@H](C)C1 ZINC000599705801 349249510 /nfs/dbraw/zinc/24/95/10/349249510.db2.gz HYNWPIKFPCXYTD-JGPRNRPPSA-N 1 2 224.304 1.562 20 30 BDEDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCC#N)[C@@H](C)C1 ZINC000599705801 349249512 /nfs/dbraw/zinc/24/95/12/349249512.db2.gz HYNWPIKFPCXYTD-JGPRNRPPSA-N 1 2 224.304 1.562 20 30 BDEDLO C=CCOCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000382211367 349269329 /nfs/dbraw/zinc/26/93/29/349269329.db2.gz HEALHDXTRJMMKX-JTQLQIEISA-N 1 2 229.320 1.366 20 30 BDEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1(C#N)CCC1 ZINC000602080571 349430564 /nfs/dbraw/zinc/43/05/64/349430564.db2.gz NPOCAOKAPHRWPB-NXEZZACHSA-N 1 2 244.298 1.418 20 30 BDEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1(C#N)CCC1 ZINC000602080571 349430565 /nfs/dbraw/zinc/43/05/65/349430565.db2.gz NPOCAOKAPHRWPB-NXEZZACHSA-N 1 2 244.298 1.418 20 30 BDEDLO C=C(C)COCC[NH2+]Cc1cn[nH]c1C ZINC000131380794 191014094 /nfs/dbraw/zinc/01/40/94/191014094.db2.gz CPASQLCALLVYOX-UHFFFAOYSA-N 1 2 209.293 1.400 20 30 BDEDLO C=CCOCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000618522514 350118285 /nfs/dbraw/zinc/11/82/85/350118285.db2.gz KYRGRINAAVTGNU-UHFFFAOYSA-N 1 2 223.276 1.041 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000313816610 350165985 /nfs/dbraw/zinc/16/59/85/350165985.db2.gz UHAYYVXZMWHIAR-JHJVBQTASA-N 1 2 239.363 1.187 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000313816610 350165988 /nfs/dbraw/zinc/16/59/88/350165988.db2.gz UHAYYVXZMWHIAR-JHJVBQTASA-N 1 2 239.363 1.187 20 30 BDEDLO Cc1ncc(C[NH2+]CC(C)(C)C#N)cn1 ZINC000336733161 180151061 /nfs/dbraw/zinc/15/10/61/180151061.db2.gz MDLWRBPLGGYIEU-UHFFFAOYSA-N 1 2 204.277 1.424 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(C)n(C)n1 ZINC000336661852 350423833 /nfs/dbraw/zinc/42/38/33/350423833.db2.gz ATPPNWHQRKEUHX-UHFFFAOYSA-N 1 2 223.320 1.363 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(C)n(C)n1 ZINC000336661852 350423837 /nfs/dbraw/zinc/42/38/37/350423837.db2.gz ATPPNWHQRKEUHX-UHFFFAOYSA-N 1 2 223.320 1.363 20 30 BDEDLO C[C@@H](C#N)CN(Cc1[nH+]ccn1C)C1CC1 ZINC000336709305 350461426 /nfs/dbraw/zinc/46/14/26/350461426.db2.gz WPRURQTXZMMMSE-JTQLQIEISA-N 1 2 218.304 1.544 20 30 BDEDLO N#C[C@]1(F)CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000309533919 350707035 /nfs/dbraw/zinc/70/70/35/350707035.db2.gz DQOKNBKTFCNSOI-LLVKDONJSA-N 1 2 220.251 1.101 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc(C(N)=O)cs2)CC1 ZINC000309518982 350697234 /nfs/dbraw/zinc/69/72/34/350697234.db2.gz AVEKOCNATSMFJR-UHFFFAOYSA-N 1 2 235.312 1.240 20 30 BDEDLO CC[C@H](SC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577573037 365997655 /nfs/dbraw/zinc/99/76/55/365997655.db2.gz IHWZSIXOVBEQCA-GXSJLCMTSA-N 1 2 243.376 1.088 20 30 BDEDLO C=CCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000125345700 350733249 /nfs/dbraw/zinc/73/32/49/350733249.db2.gz BERNLJYGFLGMCT-VIFPVBQESA-N 1 2 207.277 1.943 20 30 BDEDLO CCC(C)(C)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906481 191132677 /nfs/dbraw/zinc/13/26/77/191132677.db2.gz DORCSQFHEJZFQB-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO C=CCOCCSc1nc(N)cc(C)[nH+]1 ZINC000292593960 351256950 /nfs/dbraw/zinc/25/69/50/351256950.db2.gz GZQRPHXNAJCQLR-UHFFFAOYSA-N 1 2 225.317 1.662 20 30 BDEDLO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC000336727833 351546947 /nfs/dbraw/zinc/54/69/47/351546947.db2.gz GUDRMRMREXJFSI-MXWKQRLJSA-N 1 2 224.304 1.610 20 30 BDEDLO N#CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275919283 351607381 /nfs/dbraw/zinc/60/73/81/351607381.db2.gz ZBIRFSCBGKYKGK-GFCCVEGCSA-N 1 2 241.298 1.787 20 30 BDEDLO N#CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC000276635714 351640688 /nfs/dbraw/zinc/64/06/88/351640688.db2.gz UFAZRKIOHBQCHC-UHFFFAOYSA-N 1 2 232.287 1.295 20 30 BDEDLO N#CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC000276635714 351640689 /nfs/dbraw/zinc/64/06/89/351640689.db2.gz UFAZRKIOHBQCHC-UHFFFAOYSA-N 1 2 232.287 1.295 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CC2(F)F)CC1 ZINC000405106339 351777236 /nfs/dbraw/zinc/77/72/36/351777236.db2.gz YLGGIENSWDOEKA-SECBINFHSA-N 1 2 245.269 1.835 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000280430416 351843533 /nfs/dbraw/zinc/84/35/33/351843533.db2.gz DKTGPHQJVCCJDB-JTQLQIEISA-N 1 2 220.276 1.007 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000280430416 351843535 /nfs/dbraw/zinc/84/35/35/351843535.db2.gz DKTGPHQJVCCJDB-JTQLQIEISA-N 1 2 220.276 1.007 20 30 BDEDLO N#CC1(CCCn2cc[nH+]c2)CCOCC1 ZINC000281006105 351870298 /nfs/dbraw/zinc/87/02/98/351870298.db2.gz NZONNNDMKTXSLD-UHFFFAOYSA-N 1 2 219.288 1.984 20 30 BDEDLO CC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405133721 351896385 /nfs/dbraw/zinc/89/63/85/351896385.db2.gz SLMQCPQKKHEUAG-LBPRGKRZSA-N 1 2 216.284 1.645 20 30 BDEDLO CC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405133721 351896386 /nfs/dbraw/zinc/89/63/86/351896386.db2.gz SLMQCPQKKHEUAG-LBPRGKRZSA-N 1 2 216.284 1.645 20 30 BDEDLO Cc1csc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000283908729 351986836 /nfs/dbraw/zinc/98/68/36/351986836.db2.gz DMOBEKPCLXTZKK-MRVPVSSYSA-N 1 2 241.316 1.419 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC000288590485 352156683 /nfs/dbraw/zinc/15/66/83/352156683.db2.gz LMAGSKKAYRSLEN-LLVKDONJSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC000288590485 352156684 /nfs/dbraw/zinc/15/66/84/352156684.db2.gz LMAGSKKAYRSLEN-LLVKDONJSA-N 1 2 233.315 1.506 20 30 BDEDLO COc1ccc(OC)c(C[NH2+]CCC#N)c1 ZINC000020199929 352141413 /nfs/dbraw/zinc/14/14/13/352141413.db2.gz ACBZPACDBZVVSZ-UHFFFAOYSA-N 1 2 220.272 1.707 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000290336799 352221297 /nfs/dbraw/zinc/22/12/97/352221297.db2.gz DEXPBUPWUYHXOW-SECBINFHSA-N 1 2 229.287 1.549 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000290336799 352221300 /nfs/dbraw/zinc/22/13/00/352221300.db2.gz DEXPBUPWUYHXOW-SECBINFHSA-N 1 2 229.287 1.549 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366677752 352222726 /nfs/dbraw/zinc/22/27/26/352222726.db2.gz FVFBGFUFFVJHHN-UWVGGRQHSA-N 1 2 235.274 1.015 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366677752 352222730 /nfs/dbraw/zinc/22/27/30/352222730.db2.gz FVFBGFUFFVJHHN-UWVGGRQHSA-N 1 2 235.274 1.015 20 30 BDEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ncccn1 ZINC000411166863 191166480 /nfs/dbraw/zinc/16/64/80/191166480.db2.gz VEHDYKJPPONECM-LLVKDONJSA-N 1 2 246.314 1.478 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ncc(C)o1 ZINC000189420099 166342466 /nfs/dbraw/zinc/34/24/66/166342466.db2.gz ZEYUQJCCBPTKJM-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ncc(C)o1 ZINC000189420099 166342467 /nfs/dbraw/zinc/34/24/67/166342467.db2.gz ZEYUQJCCBPTKJM-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO C=CC[N@H+](CCC#N)CCn1cccn1 ZINC000292270874 352311338 /nfs/dbraw/zinc/31/13/38/352311338.db2.gz SEOMCDWFFXAMJS-UHFFFAOYSA-N 1 2 204.277 1.285 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCn1cccn1 ZINC000292270874 352311341 /nfs/dbraw/zinc/31/13/41/352311341.db2.gz SEOMCDWFFXAMJS-UHFFFAOYSA-N 1 2 204.277 1.285 20 30 BDEDLO CCN(CC#N)CC[C@H](C)[N@H+](CC)CC#N 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C[C@@H](O)[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000412096045 191260011 /nfs/dbraw/zinc/26/00/11/191260011.db2.gz SHORCLQBEZWABN-UKRRQHHQSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000334417586 353101410 /nfs/dbraw/zinc/10/14/10/353101410.db2.gz OWKKNWRYRQAQBE-ZJUUUORDSA-N 1 2 232.287 1.623 20 30 BDEDLO C[C@](O)(CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000329298440 538108920 /nfs/dbraw/zinc/10/89/20/538108920.db2.gz UOFNIVHPQSBTJD-LBPRGKRZSA-N 1 2 237.303 1.460 20 30 BDEDLO C[C@](O)(CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000329298440 538108921 /nfs/dbraw/zinc/10/89/21/538108921.db2.gz UOFNIVHPQSBTJD-LBPRGKRZSA-N 1 2 237.303 1.460 20 30 BDEDLO CCCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330825020 353183740 /nfs/dbraw/zinc/18/37/40/353183740.db2.gz IGLNZUCFQBASAY-VXGBXAGGSA-N 1 2 247.346 1.778 20 30 BDEDLO C[C@H](CC#N)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330953849 353203855 /nfs/dbraw/zinc/20/38/55/353203855.db2.gz LZQTXRIDJBTUEB-MRVPVSSYSA-N 1 2 220.276 1.106 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CC#CC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000278529087 188267501 /nfs/dbraw/zinc/26/75/01/188267501.db2.gz DUVSVCKSHXKUBP-UHFFFAOYSA-N 1 2 225.723 1.837 20 30 BDEDLO CC#CC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000278529087 188267503 /nfs/dbraw/zinc/26/75/03/188267503.db2.gz DUVSVCKSHXKUBP-UHFFFAOYSA-N 1 2 225.723 1.837 20 30 BDEDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000053897070 188300962 /nfs/dbraw/zinc/30/09/62/188300962.db2.gz WLCPYSAJRFDCIP-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000053897070 188300964 /nfs/dbraw/zinc/30/09/64/188300964.db2.gz WLCPYSAJRFDCIP-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO C=CCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000264007986 188260161 /nfs/dbraw/zinc/26/01/61/188260161.db2.gz UMHMWSCAWMWOGV-UHFFFAOYSA-N 1 2 233.315 1.730 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCCn1cc[nH+]c1 ZINC000134872073 353514590 /nfs/dbraw/zinc/51/45/90/353514590.db2.gz RLUNQPAUYUYQFA-LBPRGKRZSA-N 1 2 221.304 1.602 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285364246 353533017 /nfs/dbraw/zinc/53/30/17/353533017.db2.gz MBMZLVAKMKMSNJ-GFCCVEGCSA-N 1 2 248.330 1.239 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285364246 353533019 /nfs/dbraw/zinc/53/30/19/353533019.db2.gz MBMZLVAKMKMSNJ-GFCCVEGCSA-N 1 2 248.330 1.239 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccns1 ZINC000639098363 353498308 /nfs/dbraw/zinc/49/83/08/353498308.db2.gz AJQVBNOBMILUCY-UHFFFAOYSA-N 1 2 212.318 1.778 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccns1 ZINC000639098363 353498312 /nfs/dbraw/zinc/49/83/12/353498312.db2.gz AJQVBNOBMILUCY-UHFFFAOYSA-N 1 2 212.318 1.778 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)C#N ZINC000492453970 324163790 /nfs/dbraw/zinc/16/37/90/324163790.db2.gz IAGGMGRWBBBABI-WAYWQWQTSA-N 1 2 232.287 1.335 20 30 BDEDLO C#CC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184592114 353684424 /nfs/dbraw/zinc/68/44/24/353684424.db2.gz ACOHLFRKLCJYKR-LLVKDONJSA-N 1 2 235.356 1.455 20 30 BDEDLO Cc1cc(N2CCC[C@H](O)CC2)c(C#N)c[nH+]1 ZINC000399026429 353687108 /nfs/dbraw/zinc/68/71/08/353687108.db2.gz HNRAUKAXOXEFJM-LBPRGKRZSA-N 1 2 231.299 1.613 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291528532 353694571 /nfs/dbraw/zinc/69/45/71/353694571.db2.gz KZGZLAWGYSIRNQ-LLVKDONJSA-N 1 2 248.330 1.763 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000294359887 353774772 /nfs/dbraw/zinc/77/47/72/353774772.db2.gz BOOPCYMTCYSJSR-SNVBAGLBSA-N 1 2 247.298 1.124 20 30 BDEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000296686209 353830832 /nfs/dbraw/zinc/83/08/32/353830832.db2.gz LRONAZHJUZMJBP-LLVKDONJSA-N 1 2 236.319 1.534 20 30 BDEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000296686209 353830833 /nfs/dbraw/zinc/83/08/33/353830833.db2.gz LRONAZHJUZMJBP-LLVKDONJSA-N 1 2 236.319 1.534 20 30 BDEDLO C#CCC(C)(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000185888997 353859555 /nfs/dbraw/zinc/85/95/55/353859555.db2.gz ZKOLNTMJHQATJS-UHFFFAOYSA-N 1 2 247.342 1.781 20 30 BDEDLO 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C=C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)OC ZINC000301045308 363373021 /nfs/dbraw/zinc/37/30/21/363373021.db2.gz NKRROCZSKNOSHE-MWLCHTKSSA-N 1 2 227.304 1.119 20 30 BDEDLO C=C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)OC ZINC000301045309 363372306 /nfs/dbraw/zinc/37/23/06/363372306.db2.gz NKRROCZSKNOSHE-ONGXEEELSA-N 1 2 227.304 1.119 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCOC3)o1 ZINC000293986012 181102973 /nfs/dbraw/zinc/10/29/73/181102973.db2.gz LIRSXANGCQSZTO-UHFFFAOYSA-N 1 2 218.256 1.374 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000344527788 354280080 /nfs/dbraw/zinc/28/00/80/354280080.db2.gz XENJVKQGYKBEMJ-LLVKDONJSA-N 1 2 233.315 1.528 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000093645438 181103596 /nfs/dbraw/zinc/10/35/96/181103596.db2.gz QTWLRWDHRHCAGL-CYBMUJFWSA-N 1 2 232.283 1.762 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000093645438 181103598 /nfs/dbraw/zinc/10/35/98/181103598.db2.gz QTWLRWDHRHCAGL-CYBMUJFWSA-N 1 2 232.283 1.762 20 30 BDEDLO 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C[C@@H]1CCC[C@](C#N)(NC(=O)Cn2cc[nH+]c2)C1 ZINC000073767091 368816069 /nfs/dbraw/zinc/81/60/69/368816069.db2.gz ZYWQGBWZXGCFTB-YPMHNXCESA-N 1 2 246.314 1.472 20 30 BDEDLO C=C[C@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000615960158 368791068 /nfs/dbraw/zinc/79/10/68/368791068.db2.gz JYOCDLBCLUJGSP-SKDRFNHKSA-N 1 2 237.303 1.017 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)CCc1c[nH+]cn1C ZINC000619433880 369353092 /nfs/dbraw/zinc/35/30/92/369353092.db2.gz IJCMOOXNECRGMG-LLVKDONJSA-N 1 2 248.330 1.407 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H](O)CCC(C)C ZINC000619510949 369452583 /nfs/dbraw/zinc/45/25/83/369452583.db2.gz BTPVHIZLOSHKBK-CYBMUJFWSA-N 1 2 242.363 1.646 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H](O)CCC(C)C ZINC000619510949 369452586 /nfs/dbraw/zinc/45/25/86/369452586.db2.gz BTPVHIZLOSHKBK-CYBMUJFWSA-N 1 2 242.363 1.646 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCO[C@H]1C(=C)C)C(=O)OC ZINC000619704525 369536928 /nfs/dbraw/zinc/53/69/28/369536928.db2.gz PEDBKGSTMNHNKU-WOPDTQHZSA-N 1 2 239.315 1.285 20 30 BDEDLO C=C[C@@H](C(=O)OC)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619717374 369547192 /nfs/dbraw/zinc/54/71/92/369547192.db2.gz FKLHAQGAOBJTDW-NEPJUHHUSA-N 1 2 249.314 1.248 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000619719823 369550260 /nfs/dbraw/zinc/55/02/60/369550260.db2.gz FZTGDFLYPILKBJ-HTQZYQBOSA-N 1 2 219.231 1.301 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000619719823 369550264 /nfs/dbraw/zinc/55/02/64/369550264.db2.gz FZTGDFLYPILKBJ-HTQZYQBOSA-N 1 2 219.231 1.301 20 30 BDEDLO CC(C)(F)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000601927482 369718616 /nfs/dbraw/zinc/71/86/16/369718616.db2.gz DXKFGYNXLGPTBR-LLVKDONJSA-N 1 2 249.289 1.422 20 30 BDEDLO Cc1nocc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602674939 369839986 /nfs/dbraw/zinc/83/99/86/369839986.db2.gz IFYZZSNIRPSHSL-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO CC1(O)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000602689116 369841673 /nfs/dbraw/zinc/84/16/73/369841673.db2.gz RIBFJKHNHUIJFW-UHFFFAOYSA-N 1 2 208.286 1.186 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](C)[C@@H](C)O1 ZINC000602629293 369829825 /nfs/dbraw/zinc/82/98/25/369829825.db2.gz MHOGZGMAPJQFLC-GRYCIOLGSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H](C)[C@@H](C)O1 ZINC000602629293 369829833 /nfs/dbraw/zinc/82/98/33/369829833.db2.gz MHOGZGMAPJQFLC-GRYCIOLGSA-N 1 2 245.326 1.951 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@H](C)CO1 ZINC000602701301 369844643 /nfs/dbraw/zinc/84/46/43/369844643.db2.gz YZFROOOZSMNHCE-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H](C)CO1 ZINC000602701301 369844646 /nfs/dbraw/zinc/84/46/46/369844646.db2.gz YZFROOOZSMNHCE-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO CO[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899525 369860918 /nfs/dbraw/zinc/86/09/18/369860918.db2.gz PPMDWGMQXRJYBL-SMDDNHRTSA-N 1 2 246.310 1.924 20 30 BDEDLO CO[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899525 369860929 /nfs/dbraw/zinc/86/09/29/369860929.db2.gz 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/nfs/dbraw/zinc/15/14/69/372151469.db2.gz GMKVQCBCAJTPQN-UHFFFAOYSA-N 1 2 217.696 1.578 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCC2(C1)OCCO2 ZINC000134050610 372151474 /nfs/dbraw/zinc/15/14/74/372151474.db2.gz GMKVQCBCAJTPQN-UHFFFAOYSA-N 1 2 217.696 1.578 20 30 BDEDLO C=C(C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633176125 373324124 /nfs/dbraw/zinc/32/41/24/373324124.db2.gz RPALYBMHGXWAKY-UHFFFAOYSA-N 1 2 208.265 1.127 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000633555129 373593234 /nfs/dbraw/zinc/59/32/34/373593234.db2.gz BDRCVQXKUUFYPQ-LLVKDONJSA-N 1 2 245.326 1.670 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@H](CO)CC2)c(C#N)c[nH+]1 ZINC000425227117 206020823 /nfs/dbraw/zinc/02/08/23/206020823.db2.gz AGGMLMHPNDBQNQ-AULYBMBSSA-N 1 2 245.326 1.647 20 30 BDEDLO CCn1ccc(CNc2cc(C)[nH+]cc2C#N)n1 ZINC000425265665 206021390 /nfs/dbraw/zinc/02/13/90/206021390.db2.gz FITDBYMEXDFFRY-UHFFFAOYSA-N 1 2 241.298 1.512 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@H+](C)[C@@H](C)CC#N)C1=O ZINC000179310260 134320255 /nfs/dbraw/zinc/32/02/55/134320255.db2.gz DGDGLLRCWHYWDC-NWDGAFQWSA-N 1 2 237.347 1.620 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@@H+](C)[C@@H](C)CC#N)C1=O ZINC000179310260 134320256 /nfs/dbraw/zinc/32/02/56/134320256.db2.gz DGDGLLRCWHYWDC-NWDGAFQWSA-N 1 2 237.347 1.620 20 30 BDEDLO C=C(Cl)C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000298757141 383986505 /nfs/dbraw/zinc/98/65/05/383986505.db2.gz WVRYDRIKYJTVDS-GFCCVEGCSA-N 1 2 238.718 1.729 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000334864574 383968322 /nfs/dbraw/zinc/96/83/22/383968322.db2.gz PZPYLXXGJDUEJP-SNVBAGLBSA-N 1 2 240.303 1.790 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000334864574 383968328 /nfs/dbraw/zinc/96/83/28/383968328.db2.gz PZPYLXXGJDUEJP-SNVBAGLBSA-N 1 2 240.303 1.790 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)[C@H]1CCOC1=O ZINC000298836255 384020907 /nfs/dbraw/zinc/02/09/07/384020907.db2.gz HPXGHLIVPQALBV-LBPRGKRZSA-N 1 2 235.283 1.626 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)[C@H]1CCOC1=O ZINC000298836255 384020912 /nfs/dbraw/zinc/02/09/12/384020912.db2.gz HPXGHLIVPQALBV-LBPRGKRZSA-N 1 2 235.283 1.626 20 30 BDEDLO COc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000234989145 384165275 /nfs/dbraw/zinc/16/52/75/384165275.db2.gz SSNGRMYJWGXLBD-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000234989145 384165278 /nfs/dbraw/zinc/16/52/78/384165278.db2.gz SSNGRMYJWGXLBD-LLVKDONJSA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000234987183 384165856 /nfs/dbraw/zinc/16/58/56/384165856.db2.gz GFWLZHJKZWUKJN-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000234987183 384165857 /nfs/dbraw/zinc/16/58/57/384165857.db2.gz GFWLZHJKZWUKJN-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO CCn1cc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000050539868 384241659 /nfs/dbraw/zinc/24/16/59/384241659.db2.gz CMJZBDCABGIITM-JTQLQIEISA-N 1 2 206.293 1.494 20 30 BDEDLO CCn1cc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000050539868 384241661 /nfs/dbraw/zinc/24/16/61/384241661.db2.gz CMJZBDCABGIITM-JTQLQIEISA-N 1 2 206.293 1.494 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC=C)CC=C ZINC000490678939 384312910 /nfs/dbraw/zinc/31/29/10/384312910.db2.gz PPLFJTXGKDDBHA-UHFFFAOYSA-N 1 2 244.338 1.146 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC=C)CC=C ZINC000490678939 384312915 /nfs/dbraw/zinc/31/29/15/384312915.db2.gz PPLFJTXGKDDBHA-UHFFFAOYSA-N 1 2 244.338 1.146 20 30 BDEDLO CC[C@H](NC(=O)c1ccc(C#N)o1)c1[nH]cc[nH+]1 ZINC000336795643 384284354 /nfs/dbraw/zinc/28/43/54/384284354.db2.gz MADXMVDBDNVCHZ-VIFPVBQESA-N 1 2 244.254 1.755 20 30 BDEDLO Cn1cc(CC[N@H+](CC#N)C2CCCC2)cn1 ZINC000077318379 384401374 /nfs/dbraw/zinc/40/13/74/384401374.db2.gz DKLNHVBGTDTSMG-UHFFFAOYSA-N 1 2 232.331 1.731 20 30 BDEDLO Cn1cc(CC[N@@H+](CC#N)C2CCCC2)cn1 ZINC000077318379 384401377 /nfs/dbraw/zinc/40/13/77/384401377.db2.gz DKLNHVBGTDTSMG-UHFFFAOYSA-N 1 2 232.331 1.731 20 30 BDEDLO C[C@@H]1C[C@@H]([NH2+]CCC#N)C(=O)N1c1ccccc1 ZINC000565536089 384425266 /nfs/dbraw/zinc/42/52/66/384425266.db2.gz UKCSLAKXKGMQIN-DGCLKSJQSA-N 1 2 243.310 1.684 20 30 BDEDLO C#CC[N@@H+](CC(=C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490925774 384502227 /nfs/dbraw/zinc/50/22/27/384502227.db2.gz YALJMSHPJFXHLA-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO C#CC[N@H+](CC(=C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490925774 384502232 /nfs/dbraw/zinc/50/22/32/384502232.db2.gz YALJMSHPJFXHLA-GFCCVEGCSA-N 1 2 241.356 1.075 20 30 BDEDLO N#Cc1cc(F)ccc1Cn1cc[nH+]c1 ZINC000103139411 384592878 /nfs/dbraw/zinc/59/28/78/384592878.db2.gz LUBFDEVIVYSFKS-UHFFFAOYSA-N 1 2 201.204 1.942 20 30 BDEDLO C[N@H+](Cc1ccc(CO)o1)CC(C)(C)C#N ZINC000556909878 384644070 /nfs/dbraw/zinc/64/40/70/384644070.db2.gz PRGHCJFLVRXDRX-UHFFFAOYSA-N 1 2 222.288 1.753 20 30 BDEDLO C[N@@H+](Cc1ccc(CO)o1)CC(C)(C)C#N ZINC000556909878 384644074 /nfs/dbraw/zinc/64/40/74/384644074.db2.gz PRGHCJFLVRXDRX-UHFFFAOYSA-N 1 2 222.288 1.753 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@]23CCOC3)n1 ZINC000356321527 384692294 /nfs/dbraw/zinc/69/22/94/384692294.db2.gz QFHOHXPQJUGSJI-LBPRGKRZSA-N 1 2 249.339 1.770 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@@]23CCOC3)n1 ZINC000356321527 384692301 /nfs/dbraw/zinc/69/23/01/384692301.db2.gz QFHOHXPQJUGSJI-LBPRGKRZSA-N 1 2 249.339 1.770 20 30 BDEDLO N#Cc1cccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000356327948 384729190 /nfs/dbraw/zinc/72/91/90/384729190.db2.gz ZBRQJWTXAPNZDX-UHFFFAOYSA-N 1 2 239.278 1.480 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2c[nH]nc2C)nn1 ZINC000643902069 384779184 /nfs/dbraw/zinc/77/91/84/384779184.db2.gz QEMHBLVQFZQZKB-VIFPVBQESA-N 1 2 246.318 1.346 20 30 BDEDLO N#CCC[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363639172 384765716 /nfs/dbraw/zinc/76/57/16/384765716.db2.gz MVVMUEJYMRBCOF-UHFFFAOYSA-N 1 2 246.314 1.123 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449668672 384874934 /nfs/dbraw/zinc/87/49/34/384874934.db2.gz WTBKJAAPTRCCPX-QJPTWQEYSA-N 1 2 238.331 1.998 20 30 BDEDLO CC[N@H+](CCC#N)Cc1c[nH]c(C(=O)OC)c1 ZINC000127659287 384930075 /nfs/dbraw/zinc/93/00/75/384930075.db2.gz VGXVWVHITKZSIU-UHFFFAOYSA-N 1 2 235.287 1.537 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1c[nH]c(C(=O)OC)c1 ZINC000127659287 384930078 /nfs/dbraw/zinc/93/00/78/384930078.db2.gz VGXVWVHITKZSIU-UHFFFAOYSA-N 1 2 235.287 1.537 20 30 BDEDLO C=CCOC[C@@H]([NH2+]C[C@H](C)CC)C(=O)OC ZINC000309993779 385008341 /nfs/dbraw/zinc/00/83/41/385008341.db2.gz BRXURKHDCNFMJN-GHMZBOCLSA-N 1 2 229.320 1.366 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(Br)cn1 ZINC000307415468 385014336 /nfs/dbraw/zinc/01/43/36/385014336.db2.gz IWCRLIVRUBPRRO-MRVPVSSYSA-N 1 2 242.120 1.557 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(Br)cn1 ZINC000307415468 385014345 /nfs/dbraw/zinc/01/43/45/385014345.db2.gz IWCRLIVRUBPRRO-MRVPVSSYSA-N 1 2 242.120 1.557 20 30 BDEDLO C#CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491523436 385095160 /nfs/dbraw/zinc/09/51/60/385095160.db2.gz FBMJXHQUDDPWNN-UHFFFAOYSA-N 1 2 217.272 1.131 20 30 BDEDLO N#CCCCCCC(=O)NCCn1cc[nH+]c1 ZINC000588285229 385199896 /nfs/dbraw/zinc/19/98/96/385199896.db2.gz WYTCVVRCXPZLLK-UHFFFAOYSA-N 1 2 234.303 1.473 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000491554560 385144840 /nfs/dbraw/zinc/14/48/40/385144840.db2.gz KDTGSMPHTYDUBN-VXGBXAGGSA-N 1 2 248.330 1.373 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000188472366 385180301 /nfs/dbraw/zinc/18/03/01/385180301.db2.gz JJKQRIMKAOMZQX-LBPRGKRZSA-N 1 2 221.304 1.671 20 30 BDEDLO CC#CCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000165882828 385204932 /nfs/dbraw/zinc/20/49/32/385204932.db2.gz PJCUAPRJQXKRGS-UHFFFAOYSA-N 1 2 220.247 1.794 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H](C)CCC ZINC000491268381 385289711 /nfs/dbraw/zinc/28/97/11/385289711.db2.gz ZCMWDRZJDQPJGP-CHWSQXEVSA-N 1 2 234.343 1.248 20 30 BDEDLO C#CCN(C(=O)/C=C\c1[nH+]ccn1CC)C1CC1 ZINC000491640113 385295224 /nfs/dbraw/zinc/29/52/24/385295224.db2.gz XLGULCXYQVQWLP-FPLPWBNLSA-N 1 2 243.310 1.540 20 30 BDEDLO COC[C@@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178307581 385352252 /nfs/dbraw/zinc/35/22/52/385352252.db2.gz OAKFLVFKFBZMLP-SECBINFHSA-N 1 2 238.287 1.367 20 30 BDEDLO Cc1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)oc1C ZINC000592152642 385567378 /nfs/dbraw/zinc/56/73/78/385567378.db2.gz ZIDOCDNAWWWLFD-LBPRGKRZSA-N 1 2 235.287 1.142 20 30 BDEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)oc1C ZINC000592152642 385567381 /nfs/dbraw/zinc/56/73/81/385567381.db2.gz ZIDOCDNAWWWLFD-LBPRGKRZSA-N 1 2 235.287 1.142 20 30 BDEDLO C=CCOC[C@@H]([NH2+]C1CC(C)C1)C(=O)OC ZINC000309466347 385595604 /nfs/dbraw/zinc/59/56/04/385595604.db2.gz PKUVYEKTKIMZER-VQXHTEKXSA-N 1 2 227.304 1.119 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCC(C)CC1)C1CC1 ZINC000491726991 385689706 /nfs/dbraw/zinc/68/97/06/385689706.db2.gz FFWQWEBGVQYVBH-UHFFFAOYSA-N 1 2 234.343 1.343 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCC(C)CC1)C1CC1 ZINC000491726991 385689712 /nfs/dbraw/zinc/68/97/12/385689712.db2.gz FFWQWEBGVQYVBH-UHFFFAOYSA-N 1 2 234.343 1.343 20 30 BDEDLO CC[N@H+](CCCC#N)[C@@H](C)CS(C)(=O)=O ZINC000112704027 385857229 /nfs/dbraw/zinc/85/72/29/385857229.db2.gz ZZESGQJGKOOTQK-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO CC[N@@H+](CCCC#N)[C@@H](C)CS(C)(=O)=O ZINC000112704027 385857233 /nfs/dbraw/zinc/85/72/33/385857233.db2.gz ZZESGQJGKOOTQK-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO Cc1noc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000361611940 385974876 /nfs/dbraw/zinc/97/48/76/385974876.db2.gz SJOJXDBPFTVKRL-QMMMGPOBSA-N 1 2 245.286 1.439 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000425492892 386176231 /nfs/dbraw/zinc/17/62/31/386176231.db2.gz OIOFEKPEPJNREF-RQJHMYQMSA-N 1 2 245.229 1.440 20 30 BDEDLO C#CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121217695 533159910 /nfs/dbraw/zinc/15/99/10/533159910.db2.gz LZWVZUVMMXYZFN-CQSZACIVSA-N 1 2 215.296 1.867 20 30 BDEDLO C#CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121217695 533159917 /nfs/dbraw/zinc/15/99/17/533159917.db2.gz LZWVZUVMMXYZFN-CQSZACIVSA-N 1 2 215.296 1.867 20 30 BDEDLO Cc1[nH]c2ccc(NC(=O)[C@H](C)C#N)cc2[nH+]1 ZINC000347078833 386217726 /nfs/dbraw/zinc/21/77/26/386217726.db2.gz VLIDVULDWDYEGA-SSDOTTSWSA-N 1 2 228.255 1.970 20 30 BDEDLO Cc1cc(NC[C@H](O)C(F)(F)F)c(C#N)c[nH+]1 ZINC000398988084 386322406 /nfs/dbraw/zinc/32/24/06/386322406.db2.gz IOHKIQMKOKRVCB-VIFPVBQESA-N 1 2 245.204 1.019 20 30 BDEDLO C[C@]1(F)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000347372729 386370468 /nfs/dbraw/zinc/37/04/68/386370468.db2.gz KFPPSRLSAHWGSC-QWRGUYRKSA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@]1(F)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000347372729 386370471 /nfs/dbraw/zinc/37/04/71/386370471.db2.gz KFPPSRLSAHWGSC-QWRGUYRKSA-N 1 2 209.268 1.864 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347464884 386415954 /nfs/dbraw/zinc/41/59/54/386415954.db2.gz UDOCXPDSPWYTOF-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO Cc1cc(N[C@@H](C)CCCCO)c(C#N)c[nH+]1 ZINC000399001329 386504268 /nfs/dbraw/zinc/50/42/68/386504268.db2.gz SICQNZMJJLLPJE-JTQLQIEISA-N 1 2 233.315 1.647 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000048376085 386575579 /nfs/dbraw/zinc/57/55/79/386575579.db2.gz RVTHXPHEXQVTEQ-UHFFFAOYSA-N 1 2 232.283 1.199 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000048376085 386575586 /nfs/dbraw/zinc/57/55/86/386575586.db2.gz RVTHXPHEXQVTEQ-UHFFFAOYSA-N 1 2 232.283 1.199 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000408413852 386551785 /nfs/dbraw/zinc/55/17/85/386551785.db2.gz FFFJIPDXMCCHMX-QWRGUYRKSA-N 1 2 246.314 1.206 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cnc(N(C)C)n1C ZINC000425318567 386555235 /nfs/dbraw/zinc/55/52/35/386555235.db2.gz AXBQHYVCUWDJRT-UHFFFAOYSA-N 1 2 234.347 1.660 20 30 BDEDLO C=CCN(CC=C)Cc1c[nH+]c(N(C)C)n1C ZINC000425318567 386555240 /nfs/dbraw/zinc/55/52/40/386555240.db2.gz AXBQHYVCUWDJRT-UHFFFAOYSA-N 1 2 234.347 1.660 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCN(C(=O)CC)C1 ZINC000644950723 386639708 /nfs/dbraw/zinc/63/97/08/386639708.db2.gz WGORFTIZOVSZFE-LLVKDONJSA-N 1 2 208.305 1.300 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCN(C(=O)CC)C1 ZINC000644950723 386639712 /nfs/dbraw/zinc/63/97/12/386639712.db2.gz WGORFTIZOVSZFE-LLVKDONJSA-N 1 2 208.305 1.300 20 30 BDEDLO Cc1ncoc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328925813 386654251 /nfs/dbraw/zinc/65/42/51/386654251.db2.gz DZNWOHSGRRODGL-MRVPVSSYSA-N 1 2 246.270 1.568 20 30 BDEDLO Cc1ncoc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328925813 386654257 /nfs/dbraw/zinc/65/42/57/386654257.db2.gz DZNWOHSGRRODGL-MRVPVSSYSA-N 1 2 246.270 1.568 20 30 BDEDLO CCN(Cc1c[nH+]cn1CC)C[C@H](C)C#N ZINC000417732405 386606577 /nfs/dbraw/zinc/60/65/77/386606577.db2.gz OYFXWFQNFHKIPG-LLVKDONJSA-N 1 2 220.320 1.885 20 30 BDEDLO Cc1noc(C)c1NC(=O)NCc1[nH+]ccn1C ZINC000330593907 386804432 /nfs/dbraw/zinc/80/44/32/386804432.db2.gz SPLLACNNZLQLTL-UHFFFAOYSA-N 1 2 249.274 1.551 20 30 BDEDLO Cc1ncc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000330311939 386921800 /nfs/dbraw/zinc/92/18/00/386921800.db2.gz OBJVDSLKPPQPCK-SECBINFHSA-N 1 2 245.286 1.234 20 30 BDEDLO C#CC[NH+]1CCN(c2cc(C)ncc2C#N)CC1 ZINC000399478273 386963595 /nfs/dbraw/zinc/96/35/95/386963595.db2.gz YGIOONXMRQVUMU-UHFFFAOYSA-N 1 2 240.310 1.017 20 30 BDEDLO Cc1cc(N[C@@H]2CC2(C)C)c(C#N)c[nH+]1 ZINC000399536517 386970741 /nfs/dbraw/zinc/97/07/41/386970741.db2.gz UTHOCBQZUGHCOG-LLVKDONJSA-N 1 2 201.273 1.894 20 30 BDEDLO Cc1cc(NC[C@H](O)C(C)C)c(C#N)c[nH+]1 ZINC000399163324 387011282 /nfs/dbraw/zinc/01/12/82/387011282.db2.gz FYPLZXLRWVNJKG-LBPRGKRZSA-N 1 2 219.288 1.112 20 30 BDEDLO Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399567050 387015654 /nfs/dbraw/zinc/01/56/54/387015654.db2.gz IOKXYIPUQCHSJW-NWDGAFQWSA-N 1 2 245.326 1.911 20 30 BDEDLO C=CCN(CCC#N)Cc1c[nH+]cn1CC ZINC000418077229 387088405 /nfs/dbraw/zinc/08/84/05/387088405.db2.gz HNSFQJOCLBZNFD-UHFFFAOYSA-N 1 2 218.304 1.805 20 30 BDEDLO N#C[C@H]1CCC[C@@H]([NH2+]CC(F)(F)CO)C1 ZINC000193296419 387192316 /nfs/dbraw/zinc/19/23/16/387192316.db2.gz PHJFATGCYIPYIJ-DTWKUNHWSA-N 1 2 218.247 1.286 20 30 BDEDLO COc1cccc(C[NH2+]CC2(C#N)CCC2)n1 ZINC000418138038 387175172 /nfs/dbraw/zinc/17/51/72/387175172.db2.gz FTSOEDOADBFXRS-UHFFFAOYSA-N 1 2 231.299 1.874 20 30 BDEDLO Cc1ocnc1CNc1cc(C)[nH+]cc1C#N ZINC000399471412 387139745 /nfs/dbraw/zinc/13/97/45/387139745.db2.gz YZAYVIOGTUYXAC-UHFFFAOYSA-N 1 2 228.255 1.592 20 30 BDEDLO CC1(C#N)C[NH+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000515308283 387364519 /nfs/dbraw/zinc/36/45/19/387364519.db2.gz IQQZPIQAPOBQGO-WDEREUQCSA-N 1 2 208.305 1.383 20 30 BDEDLO C#CC[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000315232983 387347669 /nfs/dbraw/zinc/34/76/69/387347669.db2.gz WRYYCSJWFOUTSB-ZETCQYMHSA-N 1 2 224.285 1.214 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000572393548 387383777 /nfs/dbraw/zinc/38/37/77/387383777.db2.gz OOISUNAUZPYEKJ-JQWIXIFHSA-N 1 2 243.314 1.300 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000273213392 387455246 /nfs/dbraw/zinc/45/52/46/387455246.db2.gz GYTKZUHLSDAFNE-NSHDSACASA-N 1 2 248.330 1.647 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000273213392 387455254 /nfs/dbraw/zinc/45/52/54/387455254.db2.gz GYTKZUHLSDAFNE-NSHDSACASA-N 1 2 248.330 1.647 20 30 BDEDLO C=CC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000265369605 387395325 /nfs/dbraw/zinc/39/53/25/387395325.db2.gz XLMAQQMJWJVFCB-VIFPVBQESA-N 1 2 222.292 1.184 20 30 BDEDLO C#CC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000266009696 387401327 /nfs/dbraw/zinc/40/13/27/387401327.db2.gz RHMQHKASVQBOGL-CYBMUJFWSA-N 1 2 229.327 1.393 20 30 BDEDLO CC#CC[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000274999041 387498067 /nfs/dbraw/zinc/49/80/67/387498067.db2.gz PJPGUVWBOYMOFG-QWRGUYRKSA-N 1 2 209.289 1.283 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000274999041 387498070 /nfs/dbraw/zinc/49/80/70/387498070.db2.gz PJPGUVWBOYMOFG-QWRGUYRKSA-N 1 2 209.289 1.283 20 30 BDEDLO C=C[C@](C)(CCOC)C(=O)NCc1[nH]cc[nH+]1 ZINC000275869590 387515455 /nfs/dbraw/zinc/51/54/55/387515455.db2.gz YUSAGZAICYGGJY-GFCCVEGCSA-N 1 2 237.303 1.255 20 30 BDEDLO C=C1CC[NH+](Cc2nnc(CC)[nH]2)CC1 ZINC000274687656 387490080 /nfs/dbraw/zinc/49/00/80/387490080.db2.gz ZAIWJABNJGHODG-UHFFFAOYSA-N 1 2 206.293 1.519 20 30 BDEDLO CC(C)N(CCC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000527530775 387602234 /nfs/dbraw/zinc/60/22/34/387602234.db2.gz PLAVBODTCRCDCR-UHFFFAOYSA-N 1 2 234.303 1.493 20 30 BDEDLO CC(C)N(CCC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000527530775 387602239 /nfs/dbraw/zinc/60/22/39/387602239.db2.gz PLAVBODTCRCDCR-UHFFFAOYSA-N 1 2 234.303 1.493 20 30 BDEDLO CC#CC[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000527535398 387629504 /nfs/dbraw/zinc/62/95/04/387629504.db2.gz LTQASXYUCUNRPF-UHFFFAOYSA-N 1 2 217.272 1.322 20 30 BDEDLO CC#CC[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000527535398 387629509 /nfs/dbraw/zinc/62/95/09/387629509.db2.gz LTQASXYUCUNRPF-UHFFFAOYSA-N 1 2 217.272 1.322 20 30 BDEDLO N#CC1(NC(=O)COc2cc[nH+]cc2)CCC1 ZINC000431502757 387713776 /nfs/dbraw/zinc/71/37/76/387713776.db2.gz RKKWSHIZXKORJT-UHFFFAOYSA-N 1 2 231.255 1.023 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ncnn1C ZINC000353179299 387739674 /nfs/dbraw/zinc/73/96/74/387739674.db2.gz FGSOWQSAGMTFLM-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442843116 387850041 /nfs/dbraw/zinc/85/00/41/387850041.db2.gz JFUVPRKVCXJEFC-MXWKQRLJSA-N 1 2 238.331 1.998 20 30 BDEDLO N#CCCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193857355 387866937 /nfs/dbraw/zinc/86/69/37/387866937.db2.gz WNLYCIRFNNSBKT-NSHDSACASA-N 1 2 218.304 1.893 20 30 BDEDLO N#CCCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193857355 387866942 /nfs/dbraw/zinc/86/69/42/387866942.db2.gz WNLYCIRFNNSBKT-NSHDSACASA-N 1 2 218.304 1.893 20 30 BDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCCC#N ZINC000433165649 387875067 /nfs/dbraw/zinc/87/50/67/387875067.db2.gz CPADBSKYACKLIW-QMTHXVAHSA-N 1 2 214.334 1.133 20 30 BDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCCC#N ZINC000433165649 387875069 /nfs/dbraw/zinc/87/50/69/387875069.db2.gz CPADBSKYACKLIW-QMTHXVAHSA-N 1 2 214.334 1.133 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533070937 387928719 /nfs/dbraw/zinc/92/87/19/387928719.db2.gz KXGOINUGQIEYCY-UHFFFAOYSA-N 1 2 246.310 1.053 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533070937 387928722 /nfs/dbraw/zinc/92/87/22/387928722.db2.gz KXGOINUGQIEYCY-UHFFFAOYSA-N 1 2 246.310 1.053 20 30 BDEDLO Cn1cc[nH+]c1CN1CCc2ccc(C#N)cc21 ZINC000270265466 387971706 /nfs/dbraw/zinc/97/17/06/387971706.db2.gz KMJVSBFIICCOLA-UHFFFAOYSA-N 1 2 238.294 1.854 20 30 BDEDLO COC[C@H]1C[N@H+](CC2(C#N)CC2)C[C@@H](C)O1 ZINC000439283973 387992481 /nfs/dbraw/zinc/99/24/81/387992481.db2.gz LATPHOOEILXGSC-GHMZBOCLSA-N 1 2 224.304 1.026 20 30 BDEDLO COC[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@@H](C)O1 ZINC000439283973 387992485 /nfs/dbraw/zinc/99/24/85/387992485.db2.gz LATPHOOEILXGSC-GHMZBOCLSA-N 1 2 224.304 1.026 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)N(CC)C(C)C)CC1 ZINC000119180548 388106950 /nfs/dbraw/zinc/10/69/50/388106950.db2.gz FTKDEGHJCSOWLT-UHFFFAOYSA-N 1 2 237.347 1.088 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccnc(OC)n1 ZINC000449281193 388167070 /nfs/dbraw/zinc/16/70/70/388167070.db2.gz CANYJKNHIXYKNV-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccnc(OC)n1 ZINC000449281193 388167075 /nfs/dbraw/zinc/16/70/75/388167075.db2.gz CANYJKNHIXYKNV-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO C=C(C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000454836607 388135849 /nfs/dbraw/zinc/13/58/49/388135849.db2.gz MTBZAPHFRMJJLN-NSHDSACASA-N 1 2 248.330 1.463 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000449659291 388249130 /nfs/dbraw/zinc/24/91/30/388249130.db2.gz VQSDVQOOUPJRMD-MNOVXSKESA-N 1 2 243.372 1.979 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)c1cccn1C ZINC000490840891 388256263 /nfs/dbraw/zinc/25/62/63/388256263.db2.gz QBKYKBQCKRZJCF-UHFFFAOYSA-N 1 2 204.273 1.163 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)c1cccn1C ZINC000490840891 388256264 /nfs/dbraw/zinc/25/62/64/388256264.db2.gz QBKYKBQCKRZJCF-UHFFFAOYSA-N 1 2 204.273 1.163 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnnn1C(C)(C)C ZINC000489458510 388215892 /nfs/dbraw/zinc/21/58/92/388215892.db2.gz DSWZPRJJXUHTBV-LLVKDONJSA-N 1 2 249.362 1.969 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000489458510 388215894 /nfs/dbraw/zinc/21/58/94/388215894.db2.gz DSWZPRJJXUHTBV-LLVKDONJSA-N 1 2 249.362 1.969 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000491297116 388283653 /nfs/dbraw/zinc/28/36/53/388283653.db2.gz OTQJWTOUGIICCS-KGLIPLIRSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000491297116 388283654 /nfs/dbraw/zinc/28/36/54/388283654.db2.gz OTQJWTOUGIICCS-KGLIPLIRSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000491308820 388284195 /nfs/dbraw/zinc/28/41/95/388284195.db2.gz WGBTWBAVHGTLJN-CHWSQXEVSA-N 1 2 248.370 1.589 20 30 BDEDLO C#CC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000491308820 388284197 /nfs/dbraw/zinc/28/41/97/388284197.db2.gz WGBTWBAVHGTLJN-CHWSQXEVSA-N 1 2 248.370 1.589 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(C(F)(F)F)n[nH]1 ZINC000491325319 388285532 /nfs/dbraw/zinc/28/55/32/388285532.db2.gz BNRDYNRLODQBSG-UHFFFAOYSA-N 1 2 231.221 1.884 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(C(F)(F)F)n[nH]1 ZINC000491325319 388285533 /nfs/dbraw/zinc/28/55/33/388285533.db2.gz BNRDYNRLODQBSG-UHFFFAOYSA-N 1 2 231.221 1.884 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccc(F)cn1 ZINC000491359921 388288246 /nfs/dbraw/zinc/28/82/46/388288246.db2.gz BXNNBIUVGIVSIM-CQSZACIVSA-N 1 2 246.285 1.213 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccc(F)cn1 ZINC000491359921 388288247 /nfs/dbraw/zinc/28/82/47/388288247.db2.gz BXNNBIUVGIVSIM-CQSZACIVSA-N 1 2 246.285 1.213 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nccc(OC)c1OC ZINC000491428271 388293737 /nfs/dbraw/zinc/29/37/37/388293737.db2.gz OAYZTXNRFBDFEN-JTQLQIEISA-N 1 2 234.299 1.552 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nccc(OC)c1OC ZINC000491428271 388293738 /nfs/dbraw/zinc/29/37/38/388293738.db2.gz OAYZTXNRFBDFEN-JTQLQIEISA-N 1 2 234.299 1.552 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000491474053 388297187 /nfs/dbraw/zinc/29/71/87/388297187.db2.gz JSFJLGOQLWJUNY-LBPRGKRZSA-N 1 2 248.330 1.326 20 30 BDEDLO CC#CCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451829966 388299301 /nfs/dbraw/zinc/29/93/01/388299301.db2.gz JAQXCLCVCZDNNR-SECBINFHSA-N 1 2 205.248 1.348 20 30 BDEDLO CC#CCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451829966 388299302 /nfs/dbraw/zinc/29/93/02/388299302.db2.gz JAQXCLCVCZDNNR-SECBINFHSA-N 1 2 205.248 1.348 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000491535954 388302072 /nfs/dbraw/zinc/30/20/72/388302072.db2.gz GKSGSRITGIJBFM-UHFFFAOYSA-N 1 2 234.274 1.638 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000491535954 388302073 /nfs/dbraw/zinc/30/20/73/388302073.db2.gz GKSGSRITGIJBFM-UHFFFAOYSA-N 1 2 234.274 1.638 20 30 BDEDLO C#C[C@H](CC)NC(=O)NCCCCn1cc[nH+]c1 ZINC000491536597 388302185 /nfs/dbraw/zinc/30/21/85/388302185.db2.gz KZUCCUGUMPYPOF-GFCCVEGCSA-N 1 2 248.330 1.374 20 30 BDEDLO C#CCN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000491628587 388306120 /nfs/dbraw/zinc/30/61/20/388306120.db2.gz NSQZWWAZAIDLAC-WAYWQWQTSA-N 1 2 215.256 1.047 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000491628215 388306186 /nfs/dbraw/zinc/30/61/86/388306186.db2.gz UYGYJHBHQKYOSP-KGLIPLIRSA-N 1 2 231.295 1.054 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000491628215 388306187 /nfs/dbraw/zinc/30/61/87/388306187.db2.gz UYGYJHBHQKYOSP-KGLIPLIRSA-N 1 2 231.295 1.054 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOCCC(C)C ZINC000491630719 388306504 /nfs/dbraw/zinc/30/65/04/388306504.db2.gz NKNMCRAZMXHZGI-CYBMUJFWSA-N 1 2 225.332 1.383 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOCCC(C)C ZINC000491630719 388306505 /nfs/dbraw/zinc/30/65/05/388306505.db2.gz NKNMCRAZMXHZGI-CYBMUJFWSA-N 1 2 225.332 1.383 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](CC)CC1=O ZINC000491644291 388307457 /nfs/dbraw/zinc/30/74/57/388307457.db2.gz JUPLKGBUWUHBME-MNOVXSKESA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](CC)CC1=O ZINC000491644291 388307458 /nfs/dbraw/zinc/30/74/58/388307458.db2.gz JUPLKGBUWUHBME-MNOVXSKESA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCSC(C)(C)C ZINC000491672084 388309795 /nfs/dbraw/zinc/30/97/95/388309795.db2.gz RJGZGTVISFTTFQ-NSHDSACASA-N 1 2 227.373 1.852 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCSC(C)(C)C ZINC000491672084 388309796 /nfs/dbraw/zinc/30/97/96/388309796.db2.gz RJGZGTVISFTTFQ-NSHDSACASA-N 1 2 227.373 1.852 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000491693015 388311481 /nfs/dbraw/zinc/31/14/81/388311481.db2.gz CHTVUJDBHXYRJF-GWCFXTLKSA-N 1 2 236.315 1.073 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@](C)(CC)C1=O ZINC000491693015 388311482 /nfs/dbraw/zinc/31/14/82/388311482.db2.gz CHTVUJDBHXYRJF-GWCFXTLKSA-N 1 2 236.315 1.073 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOCC1CCCC1 ZINC000491716232 388314349 /nfs/dbraw/zinc/31/43/49/388314349.db2.gz MOWIWVKYJYMDRL-CQSZACIVSA-N 1 2 237.343 1.527 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOCC1CCCC1 ZINC000491716232 388314350 /nfs/dbraw/zinc/31/43/50/388314350.db2.gz MOWIWVKYJYMDRL-CQSZACIVSA-N 1 2 237.343 1.527 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000491735608 388316033 /nfs/dbraw/zinc/31/60/33/388316033.db2.gz OVKFXOSJGAWFBP-RKDXNWHRSA-N 1 2 224.329 1.650 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000491735608 388316034 /nfs/dbraw/zinc/31/60/34/388316034.db2.gz OVKFXOSJGAWFBP-RKDXNWHRSA-N 1 2 224.329 1.650 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1ncnn1CC(F)F ZINC000491769327 388319121 /nfs/dbraw/zinc/31/91/21/388319121.db2.gz LCWPENKXBGRLNI-UHFFFAOYSA-N 1 2 242.273 1.387 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000491769327 388319122 /nfs/dbraw/zinc/31/91/22/388319122.db2.gz LCWPENKXBGRLNI-UHFFFAOYSA-N 1 2 242.273 1.387 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(F)cc1 ZINC000491817128 388323452 /nfs/dbraw/zinc/32/34/52/388323452.db2.gz USDCSQFXFOOGKY-CYBMUJFWSA-N 1 2 244.273 1.418 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000491096818 388269821 /nfs/dbraw/zinc/26/98/21/388269821.db2.gz WUDVAGSRYXRVTF-JTQLQIEISA-N 1 2 217.272 1.345 20 30 BDEDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(C#N)cc1 ZINC000134198046 388395982 /nfs/dbraw/zinc/39/59/82/388395982.db2.gz XMIMBWQAYMWTBR-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1cscn1 ZINC000649256210 388472513 /nfs/dbraw/zinc/47/25/13/388472513.db2.gz QSZDHHMXRMHWIE-JTQLQIEISA-N 1 2 212.318 1.512 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1cscn1 ZINC000649256210 388472514 /nfs/dbraw/zinc/47/25/14/388472514.db2.gz QSZDHHMXRMHWIE-JTQLQIEISA-N 1 2 212.318 1.512 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245544900 388422773 /nfs/dbraw/zinc/42/27/73/388422773.db2.gz SVOPYRVMEBJSNE-VHSXEESVSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245544900 388422774 /nfs/dbraw/zinc/42/27/74/388422774.db2.gz SVOPYRVMEBJSNE-VHSXEESVSA-N 1 2 220.272 1.760 20 30 BDEDLO CC#CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178774630 388505324 /nfs/dbraw/zinc/50/53/24/388505324.db2.gz ZFARBKGSQQJBDU-UHFFFAOYSA-N 1 2 246.329 1.967 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@]23CCOC3)n1 ZINC000356321526 388607678 /nfs/dbraw/zinc/60/76/78/388607678.db2.gz QFHOHXPQJUGSJI-GFCCVEGCSA-N 1 2 249.339 1.770 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@]23CCOC3)n1 ZINC000356321526 388607681 /nfs/dbraw/zinc/60/76/81/388607681.db2.gz QFHOHXPQJUGSJI-GFCCVEGCSA-N 1 2 249.339 1.770 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2ccncc2C#N)c2[nH+]ccn21 ZINC000520338302 388667885 /nfs/dbraw/zinc/66/78/85/388667885.db2.gz KJZPRWDORZALSK-BXKDBHETSA-N 1 2 239.282 1.690 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000192223011 388676346 /nfs/dbraw/zinc/67/63/46/388676346.db2.gz DRTFBMLNIIASCL-LLVKDONJSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000192223011 388676348 /nfs/dbraw/zinc/67/63/48/388676348.db2.gz DRTFBMLNIIASCL-LLVKDONJSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CC(C)C)C1CC1 ZINC000192222996 388676836 /nfs/dbraw/zinc/67/68/36/388676836.db2.gz NWMWLEKPQQFPJI-UHFFFAOYSA-N 1 2 222.332 1.198 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CC(C)C)C1CC1 ZINC000192222996 388676838 /nfs/dbraw/zinc/67/68/38/388676838.db2.gz NWMWLEKPQQFPJI-UHFFFAOYSA-N 1 2 222.332 1.198 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NCC1CCCCC1 ZINC000192226961 388677449 /nfs/dbraw/zinc/67/74/49/388677449.db2.gz VHRLJHPISNJQBR-UHFFFAOYSA-N 1 2 222.332 1.248 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NCC1CCCCC1 ZINC000192226961 388677451 /nfs/dbraw/zinc/67/74/51/388677451.db2.gz VHRLJHPISNJQBR-UHFFFAOYSA-N 1 2 222.332 1.248 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000551046562 388620161 /nfs/dbraw/zinc/62/01/61/388620161.db2.gz JGVGXVVNZGGYNF-GFCCVEGCSA-N 1 2 218.300 1.724 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000551046562 388620164 /nfs/dbraw/zinc/62/01/64/388620164.db2.gz JGVGXVVNZGGYNF-GFCCVEGCSA-N 1 2 218.300 1.724 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000521880886 388638434 /nfs/dbraw/zinc/63/84/34/388638434.db2.gz JEKJKJGYXYWABU-ZYHUDNBSSA-N 1 2 234.303 1.643 20 30 BDEDLO Cc1noc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000361611938 388638487 /nfs/dbraw/zinc/63/84/87/388638487.db2.gz SJOJXDBPFTVKRL-MRVPVSSYSA-N 1 2 245.286 1.439 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)o1)C1COC1 ZINC000449421841 388749967 /nfs/dbraw/zinc/74/99/67/388749967.db2.gz BXZOBFRWQZWCBV-UHFFFAOYSA-N 1 2 206.245 1.372 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)o1)C1COC1 ZINC000449421841 388749970 /nfs/dbraw/zinc/74/99/70/388749970.db2.gz BXZOBFRWQZWCBV-UHFFFAOYSA-N 1 2 206.245 1.372 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000193342081 388701744 /nfs/dbraw/zinc/70/17/44/388701744.db2.gz TYGCBUNZWALHMC-UHFFFAOYSA-N 1 2 235.258 1.757 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000193342081 388701747 /nfs/dbraw/zinc/70/17/47/388701747.db2.gz TYGCBUNZWALHMC-UHFFFAOYSA-N 1 2 235.258 1.757 20 30 BDEDLO CO[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425251925 388701818 /nfs/dbraw/zinc/70/18/18/388701818.db2.gz YQFXRBUQPAHBIH-BXUZGUMPSA-N 1 2 245.326 1.911 20 30 BDEDLO Cc1cc(NCC23CC(C2)CO3)c(C#N)c[nH+]1 ZINC000528185102 388705419 /nfs/dbraw/zinc/70/54/19/388705419.db2.gz JREKGVAWVJWFSI-UHFFFAOYSA-N 1 2 229.283 1.275 20 30 BDEDLO COc1cc[nH+]cc1CNc1ncccc1C#N ZINC000431476701 388731479 /nfs/dbraw/zinc/73/14/79/388731479.db2.gz JKHBQKVUAJALNL-UHFFFAOYSA-N 1 2 240.266 1.969 20 30 BDEDLO C#C[C@@H](CC)[NH2+][C@H](CCCC)C(=O)OC ZINC000233048901 388861977 /nfs/dbraw/zinc/86/19/77/388861977.db2.gz LUIHXBIZULCGIR-WDEREUQCSA-N 1 2 211.305 1.720 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493463116 533592522 /nfs/dbraw/zinc/59/25/22/533592522.db2.gz ZEOORENLDNGJJG-CDAZIORVSA-N 1 2 218.260 1.183 20 30 BDEDLO N#Cc1cc(N2CCn3c[nH+]cc3C2)ccn1 ZINC000290638520 132216929 /nfs/dbraw/zinc/21/69/29/132216929.db2.gz HRCZUQPZYIMJQH-UHFFFAOYSA-N 1 2 225.255 1.170 20 30 BDEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)O1 ZINC000330325902 134004151 /nfs/dbraw/zinc/00/41/51/134004151.db2.gz UWNRBRIXVFRZBC-OUAUKWLOSA-N 1 2 249.314 1.722 20 30 BDEDLO Cc1cn2cc(NC(=O)CC#N)ccc2[nH+]1 ZINC000336074687 134073047 /nfs/dbraw/zinc/07/30/47/134073047.db2.gz XFLTYNKDFFXMPN-UHFFFAOYSA-N 1 2 214.228 1.495 20 30 BDEDLO Cn1nccc1C1=CC[N@H+](CC2(C#N)CC2)CC1 ZINC000336440948 134147606 /nfs/dbraw/zinc/14/76/06/134147606.db2.gz SNJLEOOLZSQJFI-UHFFFAOYSA-N 1 2 242.326 1.813 20 30 BDEDLO Cn1nccc1C1=CC[N@@H+](CC2(C#N)CC2)CC1 ZINC000336440948 134147607 /nfs/dbraw/zinc/14/76/07/134147607.db2.gz SNJLEOOLZSQJFI-UHFFFAOYSA-N 1 2 242.326 1.813 20 30 BDEDLO N#CCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000336559673 134149599 /nfs/dbraw/zinc/14/95/99/134149599.db2.gz LASZPYRKEQBWIO-RYUDHWBXSA-N 1 2 220.316 1.934 20 30 BDEDLO N#CCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000336559673 134149600 /nfs/dbraw/zinc/14/96/00/134149600.db2.gz LASZPYRKEQBWIO-RYUDHWBXSA-N 1 2 220.316 1.934 20 30 BDEDLO CN(Cc1c[nH+]cn1C)CC(C)(C)C#N ZINC000354019356 134166064 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/nfs/dbraw/zinc/00/37/21/135003721.db2.gz WTAZNUADFRTTQD-CYBMUJFWSA-N 1 2 247.342 1.399 20 30 BDEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC(C)(C)O1 ZINC000112559939 135027008 /nfs/dbraw/zinc/02/70/08/135027008.db2.gz ZHYDCRBTCMEDHQ-NEPJUHHUSA-N 1 2 235.331 1.929 20 30 BDEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC(C)(C)O1 ZINC000112559939 135027010 /nfs/dbraw/zinc/02/70/10/135027010.db2.gz ZHYDCRBTCMEDHQ-NEPJUHHUSA-N 1 2 235.331 1.929 20 30 BDEDLO C=CCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000338567737 135040457 /nfs/dbraw/zinc/04/04/57/135040457.db2.gz BKCBEIKEOARCPY-LLVKDONJSA-N 1 2 236.340 1.797 20 30 BDEDLO C=CCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000338567737 135040458 /nfs/dbraw/zinc/04/04/58/135040458.db2.gz BKCBEIKEOARCPY-LLVKDONJSA-N 1 2 236.340 1.797 20 30 BDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CC(=O)C1 ZINC000330311547 135046949 /nfs/dbraw/zinc/04/69/49/135046949.db2.gz NWWNGVZBZWLYCT-VIFPVBQESA-N 1 2 233.271 1.134 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253102722 135121951 /nfs/dbraw/zinc/12/19/51/135121951.db2.gz YFNODHZZOLRXDS-UTUOFQBUSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253102722 135121952 /nfs/dbraw/zinc/12/19/52/135121952.db2.gz YFNODHZZOLRXDS-UTUOFQBUSA-N 1 2 208.305 1.525 20 30 BDEDLO N#CC1(NC(=O)c2ccc3[nH+]ccn3c2)CCC1 ZINC000264149662 135135885 /nfs/dbraw/zinc/13/58/85/135135885.db2.gz PVSZFUAFHXWZGZ-UHFFFAOYSA-N 1 2 240.266 1.510 20 30 BDEDLO CN(C)C(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000267100192 135152372 /nfs/dbraw/zinc/15/23/72/135152372.db2.gz TTWHGUSSNGRDQP-UHFFFAOYSA-N 1 2 249.314 1.474 20 30 BDEDLO CN(C)C(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000267100192 135152374 /nfs/dbraw/zinc/15/23/74/135152374.db2.gz TTWHGUSSNGRDQP-UHFFFAOYSA-N 1 2 249.314 1.474 20 30 BDEDLO CCN(CCC#N)c1[nH+]cnc2[nH]ccc21 ZINC000268067225 135157201 /nfs/dbraw/zinc/15/72/01/135157201.db2.gz CMRDDWABOAJXMM-UHFFFAOYSA-N 1 2 215.260 1.698 20 30 BDEDLO Cn1ccnc1C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000293732273 135183449 /nfs/dbraw/zinc/18/34/49/135183449.db2.gz GSVKNPFQEODATH-QWRGUYRKSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000293732273 135183452 /nfs/dbraw/zinc/18/34/52/135183452.db2.gz GSVKNPFQEODATH-QWRGUYRKSA-N 1 2 218.304 1.544 20 30 BDEDLO Cc1ccc2[nH+]cc(CN3CC(C)(C#N)C3)n2c1 ZINC000297469961 135195793 /nfs/dbraw/zinc/19/57/93/135195793.db2.gz RCPZHSRRNMUXDB-UHFFFAOYSA-N 1 2 240.310 1.988 20 30 BDEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCOC1 ZINC000298449956 135199232 /nfs/dbraw/zinc/19/92/32/135199232.db2.gz XLEUJAKTJYTJTR-SEEODLKFSA-N 1 2 205.257 1.848 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000299154622 135201892 /nfs/dbraw/zinc/20/18/92/135201892.db2.gz HHBONKJZQOLBRS-ZWNOBZJWSA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000299154622 135201893 /nfs/dbraw/zinc/20/18/93/135201893.db2.gz HHBONKJZQOLBRS-ZWNOBZJWSA-N 1 2 236.290 1.951 20 30 BDEDLO CC(C)OC[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000366733059 135239632 /nfs/dbraw/zinc/23/96/32/135239632.db2.gz IAGCLDNBQGYAHH-LBPRGKRZSA-N 1 2 226.320 1.416 20 30 BDEDLO CC(C)OC[C@@H]1C[N@@H+](CCCC#N)CCO1 ZINC000366733059 135239634 /nfs/dbraw/zinc/23/96/34/135239634.db2.gz IAGCLDNBQGYAHH-LBPRGKRZSA-N 1 2 226.320 1.416 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342649129 135306818 /nfs/dbraw/zinc/30/68/18/135306818.db2.gz WAZQIGKACDFORU-JTQLQIEISA-N 1 2 222.288 1.402 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342649129 135306819 /nfs/dbraw/zinc/30/68/19/135306819.db2.gz WAZQIGKACDFORU-JTQLQIEISA-N 1 2 222.288 1.402 20 30 BDEDLO Cc1c[nH+]c(CN(CC#N)C2CC2)n1C ZINC000342798773 135321295 /nfs/dbraw/zinc/32/12/95/135321295.db2.gz LLFFEVSZNUBTQS-UHFFFAOYSA-N 1 2 204.277 1.217 20 30 BDEDLO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ncn(C)n1 ZINC000275539611 135367480 /nfs/dbraw/zinc/36/74/80/135367480.db2.gz LNHSRVRLQLDFGH-SECBINFHSA-N 1 2 221.308 1.406 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000334398866 135388071 /nfs/dbraw/zinc/38/80/71/135388071.db2.gz DLCAWLHSQWNLOX-SNVBAGLBSA-N 1 2 240.266 1.970 20 30 BDEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000334426628 135398132 /nfs/dbraw/zinc/39/81/32/135398132.db2.gz VZFNJHVUOFDIQC-LBPRGKRZSA-N 1 2 235.331 1.976 20 30 BDEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000334426628 135398133 /nfs/dbraw/zinc/39/81/33/135398133.db2.gz VZFNJHVUOFDIQC-LBPRGKRZSA-N 1 2 235.331 1.976 20 30 BDEDLO C#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000291690890 135650114 /nfs/dbraw/zinc/65/01/14/135650114.db2.gz JAWXDHFLADJDLR-XUIVZRPNSA-N 1 2 231.299 1.587 20 30 BDEDLO C=CCOCCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000348044704 136029698 /nfs/dbraw/zinc/02/96/98/136029698.db2.gz HRPHKDWGYXUGKD-NHYWBVRUSA-N 1 2 231.361 1.032 20 30 BDEDLO C=CCOCCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000348044704 136029699 /nfs/dbraw/zinc/02/96/99/136029699.db2.gz HRPHKDWGYXUGKD-NHYWBVRUSA-N 1 2 231.361 1.032 20 30 BDEDLO CC#CC[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348412807 136077421 /nfs/dbraw/zinc/07/74/21/136077421.db2.gz VONJPANSDPZKLF-GFCCVEGCSA-N 1 2 232.331 1.112 20 30 BDEDLO CC#CC[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348412807 136077422 /nfs/dbraw/zinc/07/74/22/136077422.db2.gz VONJPANSDPZKLF-GFCCVEGCSA-N 1 2 232.331 1.112 20 30 BDEDLO C#C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000491277961 397800898 /nfs/dbraw/zinc/80/08/98/397800898.db2.gz QXBUIECXPWSSAS-SNVBAGLBSA-N 1 2 219.288 1.047 20 30 BDEDLO N#CCCN(CCn1cc[nH+]c1)Cc1ccco1 ZINC000153086256 397739626 /nfs/dbraw/zinc/73/96/26/397739626.db2.gz CURNVWPFKVCKSC-UHFFFAOYSA-N 1 2 244.298 1.892 20 30 BDEDLO CSC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444721699 397943486 /nfs/dbraw/zinc/94/34/86/397943486.db2.gz FRQJWNWZQSISLI-WDEREUQCSA-N 1 2 242.388 1.724 20 30 BDEDLO CSC[C@@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444721699 397943493 /nfs/dbraw/zinc/94/34/93/397943493.db2.gz FRQJWNWZQSISLI-WDEREUQCSA-N 1 2 242.388 1.724 20 30 BDEDLO C#C[C@H]1COCCN1c1cc[nH+]c(C(C)C)n1 ZINC000491264846 398034369 /nfs/dbraw/zinc/03/43/69/398034369.db2.gz IHOCGKPLIBQIKI-NSHDSACASA-N 1 2 231.299 1.438 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+]1CCCC(F)(F)C1 ZINC000649695072 398042749 /nfs/dbraw/zinc/04/27/49/398042749.db2.gz GLSOLXOGDRIZSX-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+]1CCCC(F)(F)C1 ZINC000649695072 398042752 /nfs/dbraw/zinc/04/27/52/398042752.db2.gz GLSOLXOGDRIZSX-SECBINFHSA-N 1 2 205.248 1.655 20 30 BDEDLO C=CC[NH2+][C@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000082581668 322908766 /nfs/dbraw/zinc/90/87/66/322908766.db2.gz IHSUNQWTSUIPCG-MNOVXSKESA-N 1 2 227.304 1.120 20 30 BDEDLO C[C@@H]1C[C@H]([NH2+]CCC#N)C(=O)N1c1ccccc1 ZINC000565536091 322915685 /nfs/dbraw/zinc/91/56/85/322915685.db2.gz UKCSLAKXKGMQIN-YPMHNXCESA-N 1 2 243.310 1.684 20 30 BDEDLO C#CCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000286663192 166149338 /nfs/dbraw/zinc/14/93/38/166149338.db2.gz FDKRNAREXPYXNQ-UHFFFAOYSA-N 1 2 233.319 1.706 20 30 BDEDLO C#CCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000286663192 166149342 /nfs/dbraw/zinc/14/93/42/166149342.db2.gz FDKRNAREXPYXNQ-UHFFFAOYSA-N 1 2 233.319 1.706 20 30 BDEDLO C#CCn1ccc(CN(CC)c2cccc[nH+]2)n1 ZINC000278930467 166207422 /nfs/dbraw/zinc/20/74/22/166207422.db2.gz VBRIDGWJHIMLLD-UHFFFAOYSA-N 1 2 240.310 1.938 20 30 BDEDLO C=CCCN(C)C(=O)NCc1[nH+]ccn1C ZINC000276048493 166252175 /nfs/dbraw/zinc/25/21/75/166252175.db2.gz HEZHNKHCLBBWMS-UHFFFAOYSA-N 1 2 222.292 1.138 20 30 BDEDLO C=CCCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276246084 166252346 /nfs/dbraw/zinc/25/23/46/166252346.db2.gz CUSGVZPAUBGECF-NSHDSACASA-N 1 2 236.319 1.489 20 30 BDEDLO C=CCCN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276246082 166252414 /nfs/dbraw/zinc/25/24/14/166252414.db2.gz CUSGVZPAUBGECF-LLVKDONJSA-N 1 2 236.319 1.489 20 30 BDEDLO C=CCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278907039 166260627 /nfs/dbraw/zinc/26/06/27/166260627.db2.gz SKGVEXJGMMUCEP-UHFFFAOYSA-N 1 2 230.262 1.551 20 30 BDEDLO C=CCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000278907039 166260631 /nfs/dbraw/zinc/26/06/31/166260631.db2.gz SKGVEXJGMMUCEP-UHFFFAOYSA-N 1 2 230.262 1.551 20 30 BDEDLO C=CCCOCCNc1[nH+]cnc2c1cnn2C ZINC000154917048 166270946 /nfs/dbraw/zinc/27/09/46/166270946.db2.gz YKLKZXZSHPVEGK-UHFFFAOYSA-N 1 2 247.302 1.368 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266995532 166275553 /nfs/dbraw/zinc/27/55/53/166275553.db2.gz WSJUPHOHEUVCEW-SNVBAGLBSA-N 1 2 237.303 1.316 20 30 BDEDLO C=CCN(C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000271575460 166308230 /nfs/dbraw/zinc/30/82/30/166308230.db2.gz QIVUCJWEAMQJCQ-UHFFFAOYSA-N 1 2 234.303 1.280 20 30 BDEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000267860582 166358428 /nfs/dbraw/zinc/35/84/28/166358428.db2.gz YGZICLIRBZEQON-CYBMUJFWSA-N 1 2 231.295 1.945 20 30 BDEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000267860582 166358430 /nfs/dbraw/zinc/35/84/30/166358430.db2.gz YGZICLIRBZEQON-CYBMUJFWSA-N 1 2 231.295 1.945 20 30 BDEDLO C=CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000042925674 166377362 /nfs/dbraw/zinc/37/73/62/166377362.db2.gz VZAJOXVXWWEDID-UHFFFAOYSA-N 1 2 234.303 1.369 20 30 BDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000336753428 166388649 /nfs/dbraw/zinc/38/86/49/166388649.db2.gz WIDWGDJUXBOGRF-BDAKNGLRSA-N 1 2 223.276 1.016 20 30 BDEDLO C=CC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651351703 410940349 /nfs/dbraw/zinc/94/03/49/410940349.db2.gz QOQNTWMQLRQZSP-LLVKDONJSA-N 1 2 247.342 1.843 20 30 BDEDLO C=CC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651351704 410940781 /nfs/dbraw/zinc/94/07/81/410940781.db2.gz QOQNTWMQLRQZSP-NSHDSACASA-N 1 2 247.342 1.843 20 30 BDEDLO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000653651123 411156590 /nfs/dbraw/zinc/15/65/90/411156590.db2.gz YGJGPAPVSRWWFF-PHIMTYICSA-N 1 2 220.320 1.837 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000653651123 411156593 /nfs/dbraw/zinc/15/65/93/411156593.db2.gz YGJGPAPVSRWWFF-PHIMTYICSA-N 1 2 220.320 1.837 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000049835379 411247000 /nfs/dbraw/zinc/24/70/00/411247000.db2.gz UGXDBFDOVVORST-UHFFFAOYSA-N 1 2 247.317 1.857 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000656681947 411321381 /nfs/dbraw/zinc/32/13/81/411321381.db2.gz NLPBPLUJBFISSC-DTWKUNHWSA-N 1 2 239.344 1.484 20 30 BDEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)n[nH]2)nn1 ZINC000657367931 411480249 /nfs/dbraw/zinc/48/02/49/411480249.db2.gz KZGHKPQKNXBOJE-UHFFFAOYSA-N 1 2 246.318 1.176 20 30 BDEDLO CCC#C[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000660582847 411604015 /nfs/dbraw/zinc/60/40/15/411604015.db2.gz YIRIKBJLYWKXAN-NSHDSACASA-N 1 2 203.289 1.501 20 30 BDEDLO CCC#C[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847292 411657452 /nfs/dbraw/zinc/65/74/52/411657452.db2.gz PGIRSXWIBXFFOT-QMMMGPOBSA-N 1 2 209.249 1.009 20 30 BDEDLO CCC#C[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847292 411657456 /nfs/dbraw/zinc/65/74/56/411657456.db2.gz PGIRSXWIBXFFOT-QMMMGPOBSA-N 1 2 209.249 1.009 20 30 BDEDLO C=CC[N@@H+](Cc1ncnn1CC)[C@@H](C)COC ZINC000661240125 411736102 /nfs/dbraw/zinc/73/61/02/411736102.db2.gz LYVLSPOMDROHIZ-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1ncnn1CC)[C@@H](C)COC ZINC000661240125 411736106 /nfs/dbraw/zinc/73/61/06/411736106.db2.gz LYVLSPOMDROHIZ-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO CCC#C[C@@H](C)[N@H+](C)Cc1nnc(C)o1 ZINC000661529528 411796923 /nfs/dbraw/zinc/79/69/23/411796923.db2.gz GHVUARAWXQGAIE-SECBINFHSA-N 1 2 207.277 1.612 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1nnc(C)o1 ZINC000661529528 411796925 /nfs/dbraw/zinc/79/69/25/411796925.db2.gz GHVUARAWXQGAIE-SECBINFHSA-N 1 2 207.277 1.612 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nccc(N)n1 ZINC000491788906 411848084 /nfs/dbraw/zinc/84/80/84/411848084.db2.gz SZZODLGHMMJEKJ-VIFPVBQESA-N 1 2 204.277 1.075 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nccc(N)n1 ZINC000491788906 411848089 /nfs/dbraw/zinc/84/80/89/411848089.db2.gz SZZODLGHMMJEKJ-VIFPVBQESA-N 1 2 204.277 1.075 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356123889 171092490 /nfs/dbraw/zinc/09/24/90/171092490.db2.gz JBYLOGNIYIOXNV-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356123889 171092492 /nfs/dbraw/zinc/09/24/92/171092492.db2.gz JBYLOGNIYIOXNV-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324285 171333887 /nfs/dbraw/zinc/33/38/87/171333887.db2.gz ZEMMCFQZCMVLDK-DCAQKATOSA-N 1 2 225.336 1.381 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324285 171333889 /nfs/dbraw/zinc/33/38/89/171333889.db2.gz ZEMMCFQZCMVLDK-DCAQKATOSA-N 1 2 225.336 1.381 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665105431 412096487 /nfs/dbraw/zinc/09/64/87/412096487.db2.gz NLFOOTNRBVKXAG-VXGBXAGGSA-N 1 2 245.326 1.724 20 30 BDEDLO N#Cc1ccc(NCCNc2cccc[nH+]2)nn1 ZINC000611239486 412270782 /nfs/dbraw/zinc/27/07/82/412270782.db2.gz BHJMMFXRQPZPSP-UHFFFAOYSA-N 1 2 240.270 1.267 20 30 BDEDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)o2)[nH]1 ZINC000270713888 172005646 /nfs/dbraw/zinc/00/56/46/172005646.db2.gz MDEJVJKDYFTYDE-QMMMGPOBSA-N 1 2 245.286 1.683 20 30 BDEDLO COCC1(C#N)CC[NH+](Cc2cc(C)on2)CC1 ZINC000341990743 174084041 /nfs/dbraw/zinc/08/40/41/174084041.db2.gz MWLLQMAQDPLOGZ-UHFFFAOYSA-N 1 2 249.314 1.735 20 30 BDEDLO COc1cc[nH+]c(Cn2ccnc2C#N)c1OC ZINC000188671885 175361648 /nfs/dbraw/zinc/36/16/48/175361648.db2.gz VOLZUYRMXSYTDK-UHFFFAOYSA-N 1 2 244.254 1.215 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1O ZINC000336266193 176176625 /nfs/dbraw/zinc/17/66/25/176176625.db2.gz GPJMMLQXVZCJIW-YGRLFVJLSA-N 1 2 248.301 1.900 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H]1O ZINC000336266193 176176626 /nfs/dbraw/zinc/17/66/26/176176626.db2.gz GPJMMLQXVZCJIW-YGRLFVJLSA-N 1 2 248.301 1.900 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC000168883404 176303766 /nfs/dbraw/zinc/30/37/66/176303766.db2.gz INGAJFMQXBHDJC-LLVKDONJSA-N 1 2 228.295 1.969 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC000168883404 176303767 /nfs/dbraw/zinc/30/37/67/176303767.db2.gz INGAJFMQXBHDJC-LLVKDONJSA-N 1 2 228.295 1.969 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1O ZINC000356417271 176312644 /nfs/dbraw/zinc/31/26/44/176312644.db2.gz QPPRTOIOZMGULC-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1O ZINC000356417271 176312646 /nfs/dbraw/zinc/31/26/46/176312646.db2.gz QPPRTOIOZMGULC-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H](O)[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356416129 177015894 /nfs/dbraw/zinc/01/58/94/177015894.db2.gz DJGCVOSKMDMJSD-IUCAKERBSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356416129 177015896 /nfs/dbraw/zinc/01/58/96/177015896.db2.gz DJGCVOSKMDMJSD-IUCAKERBSA-N 1 2 237.328 1.217 20 30 BDEDLO N#C[C@H]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493184810 226147419 /nfs/dbraw/zinc/14/74/19/226147419.db2.gz IBGHLDYGNCMSSU-FCVPOFOPSA-N 1 2 230.271 1.231 20 30 BDEDLO Cc1cc(NCCC[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000402172092 226366422 /nfs/dbraw/zinc/36/64/22/226366422.db2.gz VPJMYFFTJRSDEG-GFCCVEGCSA-N 1 2 245.326 1.912 20 30 BDEDLO Cc1cnc(CNc2cc(C)[nH+]cc2C#N)o1 ZINC000399476002 262784644 /nfs/dbraw/zinc/78/46/44/262784644.db2.gz CKPRFIWNLCXMBN-UHFFFAOYSA-N 1 2 228.255 1.592 20 30 BDEDLO Cc1cccc(CCNc2cc(C#N)ncn2)[nH+]1 ZINC000530429073 268051155 /nfs/dbraw/zinc/05/11/55/268051155.db2.gz HDMABTRNRYGPSA-UHFFFAOYSA-N 1 2 239.282 1.128 20 30 BDEDLO N#Cc1c(F)cccc1N1CC(n2cc[nH+]c2)C1 ZINC000531832818 268165682 /nfs/dbraw/zinc/16/56/82/268165682.db2.gz QTIGZMRRQYQUAN-UHFFFAOYSA-N 1 2 242.257 1.955 20 30 BDEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649883849 487813070 /nfs/dbraw/zinc/81/30/70/487813070.db2.gz DDOFHVVZJFVBHG-CYBMUJFWSA-N 1 2 233.315 1.207 20 30 BDEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649883849 487813077 /nfs/dbraw/zinc/81/30/77/487813077.db2.gz DDOFHVVZJFVBHG-CYBMUJFWSA-N 1 2 233.315 1.207 20 30 BDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000408158106 487817019 /nfs/dbraw/zinc/81/70/19/487817019.db2.gz IQDYDCAVMKEFGB-UHFFFAOYSA-N 1 2 238.331 1.954 20 30 BDEDLO C#CCOCC[N@@H+](CC(F)F)C(C)C ZINC000851817369 588633065 /nfs/dbraw/zinc/63/30/65/588633065.db2.gz DJXBKLIYFUXWMF-UHFFFAOYSA-N 1 2 205.248 1.612 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOC(F)F ZINC000852074641 588660069 /nfs/dbraw/zinc/66/00/69/588660069.db2.gz DNUWDXWBDSESTM-UHFFFAOYSA-N 1 2 204.220 1.627 20 30 BDEDLO CC[N@H+](CC[C@H]1CCOC1=O)[C@@H](C)C#N ZINC000852638440 588693481 /nfs/dbraw/zinc/69/34/81/588693481.db2.gz BZUNQMSIGXCXSY-UWVGGRQHSA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@@H+](CC[C@H]1CCOC1=O)[C@@H](C)C#N ZINC000852638440 588693482 /nfs/dbraw/zinc/69/34/82/588693482.db2.gz BZUNQMSIGXCXSY-UWVGGRQHSA-N 1 2 210.277 1.174 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](CC)C1CC1)C(=O)OC ZINC000877582643 590366413 /nfs/dbraw/zinc/36/64/13/590366413.db2.gz DAVARCQQUOCSKZ-MNOVXSKESA-N 1 2 209.289 1.330 20 30 BDEDLO C=CC[N@@H+](CCS(=O)(=O)CCC)C(C)C ZINC000919770906 642388053 /nfs/dbraw/zinc/38/80/53/642388053.db2.gz VJSAYQJBBZHAHE-UHFFFAOYSA-N 1 2 233.377 1.708 20 30 BDEDLO C=CC[N@H+](CCS(=O)(=O)CCC)C(C)C ZINC000919770906 642388063 /nfs/dbraw/zinc/38/80/63/642388063.db2.gz VJSAYQJBBZHAHE-UHFFFAOYSA-N 1 2 233.377 1.708 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676640629 487885710 /nfs/dbraw/zinc/88/57/10/487885710.db2.gz ZQHAWIHPVXKKOH-JTQLQIEISA-N 1 2 248.330 1.492 20 30 BDEDLO CC(C)(C(=O)N1CCC(C#N)CC1)c1c[nH+]c[nH]1 ZINC000562300893 323015450 /nfs/dbraw/zinc/01/54/50/323015450.db2.gz SKSGLEOUSWYTML-UHFFFAOYSA-N 1 2 246.314 1.449 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@]12C[C@H]1CCC2 ZINC000570573686 323063283 /nfs/dbraw/zinc/06/32/83/323063283.db2.gz QZOAVUUTIIQWCO-KGYLQXTDSA-N 1 2 235.331 1.137 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccccc1F ZINC000491626751 323081416 /nfs/dbraw/zinc/08/14/16/323081416.db2.gz LVLZHJLZEJYBKM-CYBMUJFWSA-N 1 2 233.286 1.702 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccccc1F ZINC000491626751 323081417 /nfs/dbraw/zinc/08/14/17/323081417.db2.gz LVLZHJLZEJYBKM-CYBMUJFWSA-N 1 2 233.286 1.702 20 30 BDEDLO CS[C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220388 323104616 /nfs/dbraw/zinc/10/46/16/323104616.db2.gz MHKHKHGSGDUZII-KOLCDFICSA-N 1 2 243.376 1.088 20 30 BDEDLO Cn1c[nH+]cc1CCNC(=O)C1(C#N)CCCC1 ZINC000401742817 323119296 /nfs/dbraw/zinc/11/92/96/323119296.db2.gz HYOCUMTVXSOERJ-UHFFFAOYSA-N 1 2 246.314 1.163 20 30 BDEDLO CC(C)(C#N)[NH+]1CCC(Cn2cccn2)CC1 ZINC000160972156 323141153 /nfs/dbraw/zinc/14/11/53/323141153.db2.gz VTFVGDAPPYLNGR-UHFFFAOYSA-N 1 2 232.331 1.897 20 30 BDEDLO C=CCC1(C(=O)NCCc2c[nH+]cn2C)CCC1 ZINC000571468716 323145750 /nfs/dbraw/zinc/14/57/50/323145750.db2.gz ZKSCGITXOVMARL-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC000571653469 323151216 /nfs/dbraw/zinc/15/12/16/323151216.db2.gz IOLIKAGRENWJHD-LLVKDONJSA-N 1 2 247.298 1.650 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000075886977 323173294 /nfs/dbraw/zinc/17/32/94/323173294.db2.gz KSHPCNJXXYLWPL-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO C=CC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000075886977 323173295 /nfs/dbraw/zinc/17/32/95/323173295.db2.gz KSHPCNJXXYLWPL-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO C[C@]1(CO)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000564537235 323178924 /nfs/dbraw/zinc/17/89/24/323178924.db2.gz RRZSUAALEYORBZ-LLVKDONJSA-N 1 2 237.328 1.362 20 30 BDEDLO C[C@]1(CO)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000564537235 323178925 /nfs/dbraw/zinc/17/89/25/323178925.db2.gz RRZSUAALEYORBZ-LLVKDONJSA-N 1 2 237.328 1.362 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000076186059 487959091 /nfs/dbraw/zinc/95/90/91/487959091.db2.gz DNRBVBVNMLVEEI-KBPBESRZSA-N 1 2 246.354 1.250 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000121417039 324011597 /nfs/dbraw/zinc/01/15/97/324011597.db2.gz QAZOSRQGCKJLMS-UHFFFAOYSA-N 1 2 229.283 1.615 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000121417039 324011600 /nfs/dbraw/zinc/01/16/00/324011600.db2.gz QAZOSRQGCKJLMS-UHFFFAOYSA-N 1 2 229.283 1.615 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491745602 324159463 /nfs/dbraw/zinc/15/94/63/324159463.db2.gz XUMWXTVXSMWRHW-SNVBAGLBSA-N 1 2 242.282 1.820 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccc(F)cn2)nn1 ZINC000529612016 324364946 /nfs/dbraw/zinc/36/49/46/324364946.db2.gz QTWKKPZPXGNWKB-UHFFFAOYSA-N 1 2 247.277 1.288 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000542691630 325042426 /nfs/dbraw/zinc/04/24/26/325042426.db2.gz ZAJBNVKXNPGMPJ-JTQLQIEISA-N 1 2 241.298 1.721 20 30 BDEDLO N#CCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000544123958 325131980 /nfs/dbraw/zinc/13/19/80/325131980.db2.gz WXOPFGHTBGFFSO-UHFFFAOYSA-N 1 2 227.271 1.180 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000075008693 325275261 /nfs/dbraw/zinc/27/52/61/325275261.db2.gz CYQBEHSQDQOAFS-UHFFFAOYSA-N 1 2 220.320 1.700 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000075008693 325275264 /nfs/dbraw/zinc/27/52/64/325275264.db2.gz CYQBEHSQDQOAFS-UHFFFAOYSA-N 1 2 220.320 1.700 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000134906342 325381960 /nfs/dbraw/zinc/38/19/60/325381960.db2.gz FHSXLPFCWIQITL-ZDUSSCGKSA-N 1 2 240.347 1.037 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCCc1c[nH+]cn1C ZINC000135177037 325398520 /nfs/dbraw/zinc/39/85/20/325398520.db2.gz CIEJHRGFEGDXKN-ZDUSSCGKSA-N 1 2 235.331 1.681 20 30 BDEDLO C=CCSCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000553221990 325681941 /nfs/dbraw/zinc/68/19/41/325681941.db2.gz XISZTGKXPDPLDD-UHFFFAOYSA-N 1 2 242.388 1.364 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000567592663 326225196 /nfs/dbraw/zinc/22/51/96/326225196.db2.gz BEMQTLCPOBKMQB-SFTQSGBHSA-N 1 2 249.358 1.383 20 30 BDEDLO C#CCC[NH2+][C@H](C(=O)OCC)[C@H](C)CC ZINC000273415099 326265260 /nfs/dbraw/zinc/26/52/60/326265260.db2.gz QWZPBXNASBJYNU-MNOVXSKESA-N 1 2 211.305 1.577 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC12CCCC2 ZINC000567995350 326293877 /nfs/dbraw/zinc/29/38/77/326293877.db2.gz IFATUTVSANUBAR-AAEUAGOBSA-N 1 2 249.358 1.527 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568209318 326326591 /nfs/dbraw/zinc/32/65/91/326326591.db2.gz USBPHRXLWLPDLI-ONGXEEELSA-N 1 2 234.303 1.253 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568209318 326326594 /nfs/dbraw/zinc/32/65/94/326326594.db2.gz USBPHRXLWLPDLI-ONGXEEELSA-N 1 2 234.303 1.253 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568209317 326326664 /nfs/dbraw/zinc/32/66/64/326326664.db2.gz USBPHRXLWLPDLI-KOLCDFICSA-N 1 2 234.303 1.253 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568209317 326326666 /nfs/dbraw/zinc/32/66/66/326326666.db2.gz USBPHRXLWLPDLI-KOLCDFICSA-N 1 2 234.303 1.253 20 30 BDEDLO CC[C@H](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573124197 326430983 /nfs/dbraw/zinc/43/09/83/326430983.db2.gz VFPOAXLZZQCQSB-LOWVWBTDSA-N 1 2 239.363 1.629 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682512478 487973222 /nfs/dbraw/zinc/97/32/22/487973222.db2.gz UFWOZCPFCACFJX-UWVGGRQHSA-N 1 2 219.288 1.136 20 30 BDEDLO COCC#CC[N@H+](C)Cc1ccccc1F ZINC000677133098 487979636 /nfs/dbraw/zinc/97/96/36/487979636.db2.gz HCPJQXLWJURBIM-UHFFFAOYSA-N 1 2 221.275 1.907 20 30 BDEDLO COCC#CC[N@@H+](C)Cc1ccccc1F ZINC000677133098 487979641 /nfs/dbraw/zinc/97/96/41/487979641.db2.gz HCPJQXLWJURBIM-UHFFFAOYSA-N 1 2 221.275 1.907 20 30 BDEDLO COCC#CC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000677480287 488050088 /nfs/dbraw/zinc/05/00/88/488050088.db2.gz WKOIBPSVAUWXAJ-UHFFFAOYSA-N 1 2 249.314 1.387 20 30 BDEDLO CN(Cc1[nH+]ccn1C)[C@H]1CCC[C@@H]1C#N ZINC000062251963 488067513 /nfs/dbraw/zinc/06/75/13/488067513.db2.gz HXDKNKKJXGDPMQ-MNOVXSKESA-N 1 2 218.304 1.544 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000628490770 487537199 /nfs/dbraw/zinc/53/71/99/487537199.db2.gz GJIKYYYUOJLZRO-LLVKDONJSA-N 1 2 233.315 1.387 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000683793303 488224327 /nfs/dbraw/zinc/22/43/27/488224327.db2.gz ZBMBMYDRWBAQMB-SNVBAGLBSA-N 1 2 235.287 1.654 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000683793303 488224329 /nfs/dbraw/zinc/22/43/29/488224329.db2.gz ZBMBMYDRWBAQMB-SNVBAGLBSA-N 1 2 235.287 1.654 20 30 BDEDLO C=CCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000684154577 488269582 /nfs/dbraw/zinc/26/95/82/488269582.db2.gz GZCWSSPDLSAIRM-LLVKDONJSA-N 1 2 233.315 1.528 20 30 BDEDLO N#CCC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000596432644 490175917 /nfs/dbraw/zinc/17/59/17/490175917.db2.gz INARRIACUXRTSH-UHFFFAOYSA-N 1 2 240.270 1.012 20 30 BDEDLO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)C(=O)OC ZINC000355678236 490264478 /nfs/dbraw/zinc/26/44/78/490264478.db2.gz ZBBYFXKFQOUBPA-CYBMUJFWSA-N 1 2 246.310 1.642 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000890554822 582474150 /nfs/dbraw/zinc/47/41/50/582474150.db2.gz XPPAXPPFAXAJQZ-SNVBAGLBSA-N 1 2 205.261 1.060 20 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231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373797320 534443628 /nfs/dbraw/zinc/44/36/28/534443628.db2.gz NRSGWWBGGFMFJU-QWRGUYRKSA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373797320 534443637 /nfs/dbraw/zinc/44/36/37/534443637.db2.gz NRSGWWBGGFMFJU-QWRGUYRKSA-N 1 2 231.723 1.619 20 30 BDEDLO C=C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336345460 534456615 /nfs/dbraw/zinc/45/66/15/534456615.db2.gz XGWYGFRJOJAEDG-LBPRGKRZSA-N 1 2 245.326 1.624 20 30 BDEDLO C=CC1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000336147805 534523949 /nfs/dbraw/zinc/52/39/49/534523949.db2.gz IEWKRRYWAVOLRF-UHFFFAOYSA-N 1 2 248.330 1.528 20 30 BDEDLO C=CCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178387830 534617999 /nfs/dbraw/zinc/61/79/99/534617999.db2.gz VHQOVAWKWQHXFD-UHFFFAOYSA-N 1 2 229.283 1.917 20 30 BDEDLO N#CCCN(CC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492828067 534636614 /nfs/dbraw/zinc/63/66/14/534636614.db2.gz YBNBVZCGMOBQTJ-PLNGDYQASA-N 1 2 244.298 1.575 20 30 BDEDLO C=CCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374674918 534653979 /nfs/dbraw/zinc/65/39/79/534653979.db2.gz BXQRMTAFCOGPEG-UHFFFAOYSA-N 1 2 233.315 1.890 20 30 BDEDLO C=CCCCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000354279335 534687555 /nfs/dbraw/zinc/68/75/55/534687555.db2.gz ACBQHOSLPJHZAJ-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C[C@H]1CCCCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000362840169 534699159 /nfs/dbraw/zinc/69/91/59/534699159.db2.gz RUSCAZJREUSMCI-NSHDSACASA-N 1 2 247.346 1.791 20 30 BDEDLO C=C[C@H]1CCCCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000362840169 534699164 /nfs/dbraw/zinc/69/91/64/534699164.db2.gz RUSCAZJREUSMCI-NSHDSACASA-N 1 2 247.346 1.791 20 30 BDEDLO C=CCCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372739322 534705209 /nfs/dbraw/zinc/70/52/09/534705209.db2.gz KJEVARKCGBFPKP-LBPRGKRZSA-N 1 2 247.342 1.870 20 30 BDEDLO C=CCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000367905969 534726055 /nfs/dbraw/zinc/72/60/55/534726055.db2.gz DDTHFOWLBGFMLD-UHFFFAOYSA-N 1 2 234.303 1.375 20 30 BDEDLO C=CCC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000338348878 534805868 /nfs/dbraw/zinc/80/58/68/534805868.db2.gz MJTHGPXWPUSNTM-NSHDSACASA-N 1 2 243.347 1.635 20 30 BDEDLO C=CCCc1csc([C@@H]2COCC[NH2+]2)n1 ZINC000261542965 534807652 /nfs/dbraw/zinc/80/76/52/534807652.db2.gz HJGMCTKYYCYUQL-JTQLQIEISA-N 1 2 224.329 1.923 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000340888116 534888703 /nfs/dbraw/zinc/88/87/03/534888703.db2.gz DUBGAPNANZWYMP-SNVBAGLBSA-N 1 2 233.315 1.372 20 30 BDEDLO CC(C)(C)[C@H](C#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493270717 526687233 /nfs/dbraw/zinc/68/72/33/526687233.db2.gz XWXPVQVMNLEZDF-MOVJSRMASA-N 1 2 232.287 1.477 20 30 BDEDLO C#CCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492445028 526731973 /nfs/dbraw/zinc/73/19/73/526731973.db2.gz GXVLCMYCRQVWLL-SREVYHEPSA-N 1 2 217.272 1.056 20 30 BDEDLO C#CCN(CC#C)Cc1c[nH+]cn1C(C)C ZINC000491670142 526846560 /nfs/dbraw/zinc/84/65/60/526846560.db2.gz LRLPEJBZAPOSNW-UHFFFAOYSA-N 1 2 215.300 1.532 20 30 BDEDLO C#CCN(CC#C)Cc1cn2ccccc2[nH+]1 ZINC000174526045 526847308 /nfs/dbraw/zinc/84/73/08/526847308.db2.gz XEJZVCCHENYWRC-UHFFFAOYSA-N 1 2 223.279 1.403 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c(C)nn(CC)c1C ZINC000490914278 526865007 /nfs/dbraw/zinc/86/50/07/526865007.db2.gz HCQJDBNRPINYPF-UHFFFAOYSA-N 1 2 243.354 1.978 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c(C)nn(CC)c1C ZINC000490914278 526865014 /nfs/dbraw/zinc/86/50/14/526865014.db2.gz HCQJDBNRPINYPF-UHFFFAOYSA-N 1 2 243.354 1.978 20 30 BDEDLO C#CCN(CC#CC)Cc1[nH+]ccn1C(C)C ZINC000490842140 526865884 /nfs/dbraw/zinc/86/58/84/526865884.db2.gz ZFQLFTQTWKKYSE-UHFFFAOYSA-N 1 2 229.327 1.923 20 30 BDEDLO C#CC[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491486301 526896889 /nfs/dbraw/zinc/89/68/89/526896889.db2.gz VBKUGAIXLIFUMR-UHFFFAOYSA-N 1 2 243.266 1.922 20 30 BDEDLO C#CC[N@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000491486301 526896896 /nfs/dbraw/zinc/89/68/96/526896896.db2.gz VBKUGAIXLIFUMR-UHFFFAOYSA-N 1 2 243.266 1.922 20 30 BDEDLO C#C[C@H](CCC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000491066501 527363450 /nfs/dbraw/zinc/36/34/50/527363450.db2.gz CPRMUOXWDNXENW-JYESYGNLSA-N 1 2 217.272 1.341 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493191993 528339520 /nfs/dbraw/zinc/33/95/20/528339520.db2.gz QETFWSNWLMQREC-CDAZIORVSA-N 1 2 218.260 1.087 20 30 BDEDLO CC[C@@H](C#N)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492641516 529266323 /nfs/dbraw/zinc/26/63/23/529266323.db2.gz CXIMSGHXSBGDFY-OMMCCPJFSA-N 1 2 232.287 1.335 20 30 BDEDLO CC(C)[C@H](NC(=O)[C@H](C)C#N)c1[nH]cc[nH+]1 ZINC000338883505 535104484 /nfs/dbraw/zinc/10/44/84/535104484.db2.gz PEEBBPOHAFCRCX-BDAKNGLRSA-N 1 2 220.276 1.383 20 30 BDEDLO CC[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000267391185 535812269 /nfs/dbraw/zinc/81/22/69/535812269.db2.gz HLGUESRYMWAADW-CYBMUJFWSA-N 1 2 233.315 1.568 20 30 BDEDLO CC[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000267391185 535812270 /nfs/dbraw/zinc/81/22/70/535812270.db2.gz HLGUESRYMWAADW-CYBMUJFWSA-N 1 2 233.315 1.568 20 30 BDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](C#N)CCC#N ZINC000305780773 536416172 /nfs/dbraw/zinc/41/61/72/536416172.db2.gz TYBSCYNUHCWOJX-DTWKUNHWSA-N 1 2 249.236 1.285 20 30 BDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H](C#N)CCC#N ZINC000305780773 536416173 /nfs/dbraw/zinc/41/61/73/536416173.db2.gz TYBSCYNUHCWOJX-DTWKUNHWSA-N 1 2 249.236 1.285 20 30 BDEDLO COc1cc(C#N)cc(OCc2c[nH+]cn2C)c1 ZINC000234991720 536878601 /nfs/dbraw/zinc/87/86/01/536878601.db2.gz KEQCODRLEFBRMU-UHFFFAOYSA-N 1 2 243.266 1.879 20 30 BDEDLO CO[C@H]1CCC[C@H]([NH+]2CC(C)(C#N)C2)C1 ZINC001172932435 974987607 /nfs/dbraw/zinc/98/76/07/974987607.db2.gz SEZWXSAPBKIXEN-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO CCN(CC#N)Cc1c(C)cc[nH+]c1N ZINC000893970019 583264057 /nfs/dbraw/zinc/26/40/57/583264057.db2.gz XCDOFXUJFKTQAI-UHFFFAOYSA-N 1 2 204.277 1.318 20 30 BDEDLO CCN(Cc1c(C)cc[nH+]c1N)C[C@H](C)C#N ZINC000893995806 583267608 /nfs/dbraw/zinc/26/76/08/583267608.db2.gz SRUSTCTUCYZSAS-SNVBAGLBSA-N 1 2 232.331 1.954 20 30 BDEDLO C=CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000111166592 588725337 /nfs/dbraw/zinc/72/53/37/588725337.db2.gz RSSKOMXUOIASQE-UHFFFAOYSA-N 1 2 236.275 1.647 20 30 BDEDLO C=C(C)CON=Cc1c[nH+]c2n1CCC2 ZINC000853368998 588738444 /nfs/dbraw/zinc/73/84/44/588738444.db2.gz FTPMYONCFJFGHC-UHFFFAOYSA-N 1 2 205.261 1.756 20 30 BDEDLO FC(F)(F)CNN=Cc1c[nH+]c2n1CCC2 ZINC000853333858 588734178 /nfs/dbraw/zinc/73/41/78/588734178.db2.gz KRQPHWMAJGIRFS-UHFFFAOYSA-N 1 2 232.209 1.315 20 30 BDEDLO CC[C@@H](C)NN=Cc1c[nH+]c2n1CCC2 ZINC000853337279 588734770 /nfs/dbraw/zinc/73/47/70/588734770.db2.gz FSFDMQBREHZWJN-SECBINFHSA-N 1 2 206.293 1.551 20 30 BDEDLO CCCn1nccc1C=NNc1[nH+]ccn1C ZINC000853339833 588735179 /nfs/dbraw/zinc/73/51/79/588735179.db2.gz BSBJHHSUNFSXSV-UHFFFAOYSA-N 1 2 232.291 1.473 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853526596 588747859 /nfs/dbraw/zinc/74/78/59/588747859.db2.gz UQJGQBGWADEFOU-JTQLQIEISA-N 1 2 249.274 1.374 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853526596 588747860 /nfs/dbraw/zinc/74/78/60/588747860.db2.gz UQJGQBGWADEFOU-JTQLQIEISA-N 1 2 249.274 1.374 20 30 BDEDLO C#CCOCCO[NH+]=C(N)COc1ccccc1 ZINC000853646071 588752027 /nfs/dbraw/zinc/75/20/27/588752027.db2.gz PEFATRDFSRQDBV-UHFFFAOYSA-N 1 2 248.282 1.214 20 30 BDEDLO C#C[C@H](Nc1cc[nH+]c(C)n1)C1CCOCC1 ZINC000853920929 588768974 /nfs/dbraw/zinc/76/89/74/588768974.db2.gz UWQCLQGLPGOEOH-LBPRGKRZSA-N 1 2 231.299 1.625 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854079022 588773925 /nfs/dbraw/zinc/77/39/25/588773925.db2.gz UHBXJBAHEQSQNN-VHSXEESVSA-N 1 2 232.287 1.039 20 30 BDEDLO CC(C)C#CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594947 588796432 /nfs/dbraw/zinc/79/64/32/588796432.db2.gz SKNYNISNDUXAHX-SECBINFHSA-N 1 2 205.261 1.246 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000854693366 588802224 /nfs/dbraw/zinc/80/22/24/588802224.db2.gz QWZVLBUXPBDVQB-GWCFXTLKSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000854693366 588802225 /nfs/dbraw/zinc/80/22/25/588802225.db2.gz QWZVLBUXPBDVQB-GWCFXTLKSA-N 1 2 233.315 1.506 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C#CC(C)C ZINC000854845407 588813205 /nfs/dbraw/zinc/81/32/05/588813205.db2.gz NFVUGSBMSKMHDE-LLVKDONJSA-N 1 2 233.315 1.740 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NOCCOC(C)C ZINC000812239141 582498781 /nfs/dbraw/zinc/49/87/81/582498781.db2.gz NKMSLMSHUMQQCT-UHFFFAOYSA-N 1 2 211.265 1.494 20 30 BDEDLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@H](C)C#N ZINC000890854444 582580770 /nfs/dbraw/zinc/58/07/70/582580770.db2.gz DYAJYSAHYJKPNT-SECBINFHSA-N 1 2 242.282 1.419 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000891266121 582645299 /nfs/dbraw/zinc/64/52/99/582645299.db2.gz GARGHCLXHYGKBY-VIFPVBQESA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000891266121 582645301 /nfs/dbraw/zinc/64/53/01/582645301.db2.gz GARGHCLXHYGKBY-VIFPVBQESA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000891266102 582645631 /nfs/dbraw/zinc/64/56/31/582645631.db2.gz FMXFHLNZYLHYEG-VIFPVBQESA-N 1 2 233.315 1.595 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000891266102 582645632 /nfs/dbraw/zinc/64/56/32/582645632.db2.gz FMXFHLNZYLHYEG-VIFPVBQESA-N 1 2 233.315 1.595 20 30 BDEDLO CC[N@@H+](Cc1c2c(nn1C)CCC2)C[C@@H](C)C#N ZINC000891716110 582713004 /nfs/dbraw/zinc/71/30/04/582713004.db2.gz LTIPISZQNDVAOC-NSHDSACASA-N 1 2 246.358 1.890 20 30 BDEDLO CC[N@H+](Cc1c2c(nn1C)CCC2)C[C@@H](C)C#N ZINC000891716110 582713007 /nfs/dbraw/zinc/71/30/07/582713007.db2.gz LTIPISZQNDVAOC-NSHDSACASA-N 1 2 246.358 1.890 20 30 BDEDLO C=CCCONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000856036288 588858227 /nfs/dbraw/zinc/85/82/27/588858227.db2.gz YTSVFNTVWYJGJL-SNVBAGLBSA-N 1 2 235.287 1.069 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1ncc(C)s1 ZINC000852751157 583016669 /nfs/dbraw/zinc/01/66/69/583016669.db2.gz RALGCMYLKRWWFP-UHFFFAOYSA-N 1 2 238.356 1.923 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1ncc(C)s1 ZINC000852751157 583016671 /nfs/dbraw/zinc/01/66/71/583016671.db2.gz RALGCMYLKRWWFP-UHFFFAOYSA-N 1 2 238.356 1.923 20 30 BDEDLO C[C@H]1CCCCN1[NH+]=Cc1cn(C)[nH]c1=O ZINC000853382134 583044167 /nfs/dbraw/zinc/04/41/67/583044167.db2.gz UCJRAWQCVGJJHK-VIFPVBQESA-N 1 2 222.292 1.334 20 30 BDEDLO Cc1cc(N)nc(N2CCC[C@@](C)(C#N)C2)[nH+]1 ZINC000893140844 583056409 /nfs/dbraw/zinc/05/64/09/583056409.db2.gz FBQDVACYVBUCLJ-LBPRGKRZSA-N 1 2 231.303 1.497 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cn(C)nc1Cl ZINC000856769839 588876002 /nfs/dbraw/zinc/87/60/02/588876002.db2.gz FBCDVKPFXKSMPK-UHFFFAOYSA-N 1 2 220.103 1.916 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1ccc(OC)cn1 ZINC000893350757 583118753 /nfs/dbraw/zinc/11/87/53/583118753.db2.gz KZBXCODYIOJVTC-UHFFFAOYSA-N 1 2 212.680 1.932 20 30 BDEDLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)[C@H](C)CC#N ZINC000893533325 583158296 /nfs/dbraw/zinc/15/82/96/583158296.db2.gz UULJXCKNSKGJSV-PSASIEDQSA-N 1 2 233.271 1.729 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893544840 583161015 /nfs/dbraw/zinc/16/10/15/583161015.db2.gz ODSMSDBCDOQNTP-SECBINFHSA-N 1 2 218.304 1.547 20 30 BDEDLO COc1nccc(C[NH2+]CC(C)(C)C#N)c1F ZINC000893550147 583162571 /nfs/dbraw/zinc/16/25/71/583162571.db2.gz BAWNUNXIHRTQSD-UHFFFAOYSA-N 1 2 237.278 1.869 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccn1C1CC1)[C@H]1CCCO1 ZINC000893676367 583195417 /nfs/dbraw/zinc/19/54/17/583195417.db2.gz KGKOSHDVAJHMGU-QWHCGFSZSA-N 1 2 245.326 1.488 20 30 BDEDLO CC(C)c1c[nH]c(CN2CCO[C@H](C#N)C2)[nH+]1 ZINC000894005238 583273316 /nfs/dbraw/zinc/27/33/16/583273316.db2.gz COQFVVYIHRYVFL-SNVBAGLBSA-N 1 2 234.303 1.257 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1[nH]nc(C)c1C ZINC000894033144 583277640 /nfs/dbraw/zinc/27/76/40/583277640.db2.gz ATMOZMYVFLQBFZ-UHFFFAOYSA-N 1 2 215.300 1.485 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1[nH]nc(C)c1C ZINC000894033144 583277642 /nfs/dbraw/zinc/27/76/42/583277642.db2.gz ATMOZMYVFLQBFZ-UHFFFAOYSA-N 1 2 215.300 1.485 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894112621 583308732 /nfs/dbraw/zinc/30/87/32/583308732.db2.gz IKEJBGRNCHEZAZ-MNOVXSKESA-N 1 2 236.315 1.874 20 30 BDEDLO C#C[C@H](CC)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000857191556 588892075 /nfs/dbraw/zinc/89/20/75/588892075.db2.gz PBIRLXMENWDCGK-SECBINFHSA-N 1 2 219.288 1.215 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)ccnc1N ZINC000894468762 583468426 /nfs/dbraw/zinc/46/84/26/583468426.db2.gz CPNXJVGEBKTCSQ-JTQLQIEISA-N 1 2 218.304 1.754 20 30 BDEDLO Cc1cc(C#N)nc(NC[C@@H]2COCC[N@H+]2C)c1 ZINC000894761151 583518452 /nfs/dbraw/zinc/51/84/52/583518452.db2.gz SDORZUXJAGZKLL-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(C#N)nc(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000894761151 583518453 /nfs/dbraw/zinc/51/84/53/583518453.db2.gz SDORZUXJAGZKLL-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO CC1(C#N)CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894821041 583525045 /nfs/dbraw/zinc/52/50/45/583525045.db2.gz AVEKERYJHYNNPZ-UHFFFAOYSA-N 1 2 216.288 1.563 20 30 BDEDLO C#CC[C@H]([NH2+]C1CC(SC)C1)C(=O)OC ZINC000894857968 583533002 /nfs/dbraw/zinc/53/30/02/583533002.db2.gz GQKJQJRNFFMSNP-RTBKNWGFSA-N 1 2 227.329 1.035 20 30 BDEDLO C=CC(C)(C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000894956101 583558959 /nfs/dbraw/zinc/55/89/59/583558959.db2.gz UWMIFWKITYQYTG-SECBINFHSA-N 1 2 248.330 1.531 20 30 BDEDLO C=CC(C)(C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000894956101 583558960 /nfs/dbraw/zinc/55/89/60/583558960.db2.gz UWMIFWKITYQYTG-SECBINFHSA-N 1 2 248.330 1.531 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cnccn1 ZINC000895025049 583570850 /nfs/dbraw/zinc/57/08/50/583570850.db2.gz GUJVOXHPXOGUAN-JTQLQIEISA-N 1 2 216.288 1.821 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895184824 583619278 /nfs/dbraw/zinc/61/92/78/583619278.db2.gz XCYVQXZFRVNANB-GFCCVEGCSA-N 1 2 217.316 1.872 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895184824 583619280 /nfs/dbraw/zinc/61/92/80/583619280.db2.gz XCYVQXZFRVNANB-GFCCVEGCSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC[C@H]1CCN(c2cccc([C@H](C)O)[nH+]2)C1 ZINC000895192059 583621633 /nfs/dbraw/zinc/62/16/33/583621633.db2.gz WYINVWSQJGSVDH-RYUDHWBXSA-N 1 2 230.311 1.985 20 30 BDEDLO C#CC[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000857880540 588920168 /nfs/dbraw/zinc/92/01/68/588920168.db2.gz KELWZVGCPFVJPR-UHFFFAOYSA-N 1 2 215.300 1.591 20 30 BDEDLO C#CC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000857880540 588920170 /nfs/dbraw/zinc/92/01/70/588920170.db2.gz KELWZVGCPFVJPR-UHFFFAOYSA-N 1 2 215.300 1.591 20 30 BDEDLO Cc1n[nH]c(C[NH+]2CCN(CCC#N)CC2)c1C ZINC000895461541 583677616 /nfs/dbraw/zinc/67/76/16/583677616.db2.gz MOLPMOVMRKOQCU-UHFFFAOYSA-N 1 2 247.346 1.058 20 30 BDEDLO C#CCC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857887371 588921327 /nfs/dbraw/zinc/92/13/27/588921327.db2.gz PZWCXGYCGWCRGP-UHFFFAOYSA-N 1 2 228.295 1.488 20 30 BDEDLO C#CCC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857887371 588921328 /nfs/dbraw/zinc/92/13/28/588921328.db2.gz PZWCXGYCGWCRGP-UHFFFAOYSA-N 1 2 228.295 1.488 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CCCOC1)C(=O)OCC ZINC000895597757 583695621 /nfs/dbraw/zinc/69/56/21/583695621.db2.gz KXLTWXQCWTWSIM-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO N#C[C@@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000895647990 583699334 /nfs/dbraw/zinc/69/93/34/583699334.db2.gz IDEPRTSPBARQKG-JTQLQIEISA-N 1 2 217.272 1.314 20 30 BDEDLO C#CCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857943964 588923994 /nfs/dbraw/zinc/92/39/94/588923994.db2.gz LQSOMPQWWSXCHX-NSHDSACASA-N 1 2 231.299 1.118 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000895835733 583736150 /nfs/dbraw/zinc/73/61/50/583736150.db2.gz NBIASBDGAQOOAX-UHFFFAOYSA-N 1 2 235.331 1.621 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CC#N)c[nH+]1 ZINC000895982386 583758359 /nfs/dbraw/zinc/75/83/59/583758359.db2.gz KIDFOCHGVNVJLT-SECBINFHSA-N 1 2 234.303 1.345 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)CCC)CC1 ZINC000727863136 583787421 /nfs/dbraw/zinc/78/74/21/583787421.db2.gz SHQCWIOBHAKDPF-OUKQBFOZSA-N 1 2 234.343 1.510 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858002066 588930408 /nfs/dbraw/zinc/93/04/08/588930408.db2.gz MDKJNRLQMJJHBT-SNVBAGLBSA-N 1 2 244.298 1.698 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896501611 583807446 /nfs/dbraw/zinc/80/74/46/583807446.db2.gz BEGXTQFTUUOOQA-NSHDSACASA-N 1 2 232.331 1.718 20 30 BDEDLO CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896501611 583807448 /nfs/dbraw/zinc/80/74/48/583807448.db2.gz BEGXTQFTUUOOQA-NSHDSACASA-N 1 2 232.331 1.718 20 30 BDEDLO C#CC1(O)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000896767854 583831942 /nfs/dbraw/zinc/83/19/42/583831942.db2.gz JDMCWNAHPMIEPF-UHFFFAOYSA-N 1 2 243.310 1.319 20 30 BDEDLO C=C(C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897445020 583985181 /nfs/dbraw/zinc/98/51/81/583985181.db2.gz ZAXUPSYBRVTHLO-UHFFFAOYSA-N 1 2 221.304 1.619 20 30 BDEDLO C[C@]1(C#N)C[N@H+](CC2CCSCC2)CCO1 ZINC000897586828 584022635 /nfs/dbraw/zinc/02/26/35/584022635.db2.gz WPWWDIGXMFLGSE-LBPRGKRZSA-N 1 2 240.372 1.744 20 30 BDEDLO C[C@]1(C#N)C[N@@H+](CC2CCSCC2)CCO1 ZINC000897586828 584022636 /nfs/dbraw/zinc/02/26/36/584022636.db2.gz WPWWDIGXMFLGSE-LBPRGKRZSA-N 1 2 240.372 1.744 20 30 BDEDLO CC(C)(C#N)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488357 584139997 /nfs/dbraw/zinc/13/99/97/584139997.db2.gz GJSXLKXLRNCOAF-SNVBAGLBSA-N 1 2 241.310 1.086 20 30 BDEDLO CC(C)(C#N)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488357 584139998 /nfs/dbraw/zinc/13/99/98/584139998.db2.gz GJSXLKXLRNCOAF-SNVBAGLBSA-N 1 2 241.310 1.086 20 30 BDEDLO C#C[C@H](NC(=O)NCc1cn(C)c[nH+]1)C(C)(C)C ZINC000898619354 584147862 /nfs/dbraw/zinc/14/78/62/584147862.db2.gz DXTDAQUMNVSYMN-NSHDSACASA-N 1 2 248.330 1.267 20 30 BDEDLO C#CCc1c(C)[nH]n(C2CC[NH+](CC)CC2)c1=O ZINC000899349746 584203429 /nfs/dbraw/zinc/20/34/29/584203429.db2.gz LOEVWTBQRQUQBS-ZDUSSCGKSA-N 1 2 247.342 1.328 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2ccn(C)n2)c1 ZINC000899386461 584208848 /nfs/dbraw/zinc/20/88/48/584208848.db2.gz BVPOXJOUPIFJLJ-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2cc(OC)no2)c1 ZINC000899378117 584209129 /nfs/dbraw/zinc/20/91/29/584209129.db2.gz NZFSBDYLUXNFEA-SNAWJCMRSA-N 1 2 247.254 1.796 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC000899900237 584249122 /nfs/dbraw/zinc/24/91/22/584249122.db2.gz MMNQXEWHCSWWMR-LBPRGKRZSA-N 1 2 225.332 1.304 20 30 BDEDLO C[C@]1(C#N)CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858633714 588972135 /nfs/dbraw/zinc/97/21/35/588972135.db2.gz BAHMXKIQGDAAFY-GFCCVEGCSA-N 1 2 217.272 1.314 20 30 BDEDLO N#CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC000900463278 584313881 /nfs/dbraw/zinc/31/38/81/584313881.db2.gz AZDJOWKTPRCTJE-UHFFFAOYSA-N 1 2 232.287 1.295 20 30 BDEDLO N#CC1(NC(=O)Cc2c[nH+]c[nH]2)CCCCC1 ZINC000900463278 584313883 /nfs/dbraw/zinc/31/38/83/584313883.db2.gz AZDJOWKTPRCTJE-UHFFFAOYSA-N 1 2 232.287 1.295 20 30 BDEDLO CCC[C@H](C#N)NC(=O)CNc1cccc[nH+]1 ZINC000900469104 584314482 /nfs/dbraw/zinc/31/44/82/584314482.db2.gz DBDVFZNSUQMVOY-SNVBAGLBSA-N 1 2 232.287 1.302 20 30 BDEDLO C=CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000900565649 584325814 /nfs/dbraw/zinc/32/58/14/584325814.db2.gz GMKIKRPDXNAFDL-UHFFFAOYSA-N 1 2 207.277 1.375 20 30 BDEDLO C#CC[C@H](COC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000858860843 588979758 /nfs/dbraw/zinc/97/97/58/588979758.db2.gz UXDRKYBIHDLRPV-SNVBAGLBSA-N 1 2 244.298 1.717 20 30 BDEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C)n(C)n1 ZINC000901505759 584455799 /nfs/dbraw/zinc/45/57/99/584455799.db2.gz GOJZZRBDEHCRML-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO Cn1c[nH+]cc1/C=C1/S/C(=N/C2CC2)NC1=O ZINC000901535820 584460216 /nfs/dbraw/zinc/46/02/16/584460216.db2.gz BAXXWKYCKFQESY-RUDMXATFSA-N 1 2 248.311 1.142 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(OC)no1 ZINC000901511998 584461250 /nfs/dbraw/zinc/46/12/50/584461250.db2.gz FNQXLHPZZBIBQX-SNAWJCMRSA-N 1 2 247.254 1.796 20 30 BDEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc2n(n1)CCCC2 ZINC000901561204 584462809 /nfs/dbraw/zinc/46/28/09/584462809.db2.gz MDBPGANVIFXSBI-SNAWJCMRSA-N 1 2 242.282 1.839 20 30 BDEDLO CCn1ccnc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000901557357 584462946 /nfs/dbraw/zinc/46/29/46/584462946.db2.gz QAZXBCLZVHSUCM-SNAWJCMRSA-N 1 2 230.271 1.533 20 30 BDEDLO CCn1c[nH+]cc1/C=C1\CCn2nccc2C1=O ZINC000901544438 584464010 /nfs/dbraw/zinc/46/40/10/584464010.db2.gz VOVQKAWAZFLSHA-JXMROGBWSA-N 1 2 242.282 1.770 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@]1(C)CCCCO1)C(=O)OC ZINC000901606905 584469036 /nfs/dbraw/zinc/46/90/36/584469036.db2.gz YACFIJIKXVRGLO-YPMHNXCESA-N 1 2 241.331 1.653 20 30 BDEDLO C=C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(=O)OC ZINC000901662291 584476868 /nfs/dbraw/zinc/47/68/68/584476868.db2.gz JGINDLDCUCOBOO-MSLYCWSTSA-N 1 2 239.315 1.261 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002153 584715899 /nfs/dbraw/zinc/71/58/99/584715899.db2.gz WXYAKZYQMPZKKW-VHSXEESVSA-N 1 2 214.284 1.111 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903002153 584715901 /nfs/dbraw/zinc/71/59/01/584715901.db2.gz WXYAKZYQMPZKKW-VHSXEESVSA-N 1 2 214.284 1.111 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1nccn1C ZINC000903106897 584728615 /nfs/dbraw/zinc/72/86/15/584728615.db2.gz YDVNGWFIXWPHEK-SECBINFHSA-N 1 2 204.277 1.374 20 30 BDEDLO C[C@@H](NCC1(C#N)CC1)c1[nH+]ccn1C ZINC000903106897 584728616 /nfs/dbraw/zinc/72/86/16/584728616.db2.gz YDVNGWFIXWPHEK-SECBINFHSA-N 1 2 204.277 1.374 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(Cl)n(C)n1 ZINC000859156967 589011570 /nfs/dbraw/zinc/01/15/70/589011570.db2.gz WNGXIKIZWQOTLP-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(Cl)n(C)n1 ZINC000859156967 589011571 /nfs/dbraw/zinc/01/15/71/589011571.db2.gz WNGXIKIZWQOTLP-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CCCOC(=O)NCc1c[nH+]c(C)cc1C ZINC000859182258 589015154 /nfs/dbraw/zinc/01/51/54/589015154.db2.gz LEVRTGFVWWAAAQ-UHFFFAOYSA-N 1 2 232.283 1.948 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000754128981 584913761 /nfs/dbraw/zinc/91/37/61/584913761.db2.gz XPEHTROKAPHCHG-NTZNESFSSA-N 1 2 219.332 1.315 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000754128981 584913762 /nfs/dbraw/zinc/91/37/62/584913762.db2.gz XPEHTROKAPHCHG-NTZNESFSSA-N 1 2 219.332 1.315 20 30 BDEDLO Cn1cc(C(=O)/C=C/c2[nH]cc[nH+]2)cn1 ZINC000731158509 584923088 /nfs/dbraw/zinc/92/30/88/584923088.db2.gz BRXSIJFIBHWEIY-NSCUHMNNSA-N 1 2 202.217 1.039 20 30 BDEDLO N#Cc1ccc(SCC[NH+]2CCOCC2)cc1 ZINC000731939650 584932159 /nfs/dbraw/zinc/93/21/59/584932159.db2.gz RPKDEVVIVGYADH-UHFFFAOYSA-N 1 2 248.351 1.983 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnccc1C ZINC000732074285 584933474 /nfs/dbraw/zinc/93/34/74/584933474.db2.gz NJEWKVPTYZFQHD-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnccc1C ZINC000732074285 584933475 /nfs/dbraw/zinc/93/34/75/584933475.db2.gz NJEWKVPTYZFQHD-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO C#Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000732092433 584933880 /nfs/dbraw/zinc/93/38/80/584933880.db2.gz FZYQUZSDMFMJLD-UHFFFAOYSA-N 1 2 240.266 1.058 20 30 BDEDLO C=CCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732359644 584936299 /nfs/dbraw/zinc/93/62/99/584936299.db2.gz YVPVRKKUSZITOG-UHFFFAOYSA-N 1 2 230.267 1.914 20 30 BDEDLO CCCC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732668489 584939772 /nfs/dbraw/zinc/93/97/72/584939772.db2.gz LRQHGTPCIAPVRG-LBPRGKRZSA-N 1 2 207.321 1.459 20 30 BDEDLO CCCC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732668489 584939773 /nfs/dbraw/zinc/93/97/73/584939773.db2.gz LRQHGTPCIAPVRG-LBPRGKRZSA-N 1 2 207.321 1.459 20 30 BDEDLO CCCC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000732668481 584939815 /nfs/dbraw/zinc/93/98/15/584939815.db2.gz LRQHGTPCIAPVRG-GFCCVEGCSA-N 1 2 207.321 1.459 20 30 BDEDLO CCCC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000732668481 584939816 /nfs/dbraw/zinc/93/98/16/584939816.db2.gz LRQHGTPCIAPVRG-GFCCVEGCSA-N 1 2 207.321 1.459 20 30 BDEDLO C[C@]1(C/[NH+]=C/c2cccc(O)c2O)CCOC1 ZINC000733081232 584942938 /nfs/dbraw/zinc/94/29/38/584942938.db2.gz RMDYLVBLAVFCLU-PFLCFFIHSA-N 1 2 235.283 1.943 20 30 BDEDLO Cc1ccc(NN=Cc2c[nH+]cn2C)nc1 ZINC000755689249 584974728 /nfs/dbraw/zinc/97/47/28/584974728.db2.gz NSYIRTHNGJLJPA-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)C(=O)OC ZINC000839167191 585095538 /nfs/dbraw/zinc/09/55/38/585095538.db2.gz COJWQRPIZDSRLZ-WOPDTQHZSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000839166952 585095540 /nfs/dbraw/zinc/09/55/40/585095540.db2.gz BJACFDCOBODZEE-XQQFMLRXSA-N 1 2 237.343 1.967 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000839168264 585095714 /nfs/dbraw/zinc/09/57/14/585095714.db2.gz KIYRHKWHCZARGZ-SNVBAGLBSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CCC=C)C(=O)OC ZINC000839167994 585095864 /nfs/dbraw/zinc/09/58/64/585095864.db2.gz HTHOBSJGFPNNOW-GHMZBOCLSA-N 1 2 209.289 1.496 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OC ZINC000839170293 585095942 /nfs/dbraw/zinc/09/59/42/585095942.db2.gz YIMLLMWHEYRPPV-VXGBXAGGSA-N 1 2 221.300 1.640 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](CC)CCC=C)C(=O)OC ZINC000839169230 585096005 /nfs/dbraw/zinc/09/60/05/585096005.db2.gz QCOZCSFUBYRSKW-NWDGAFQWSA-N 1 2 223.316 1.886 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@H](C)CC=C)C(=O)OC ZINC000839170147 585096080 /nfs/dbraw/zinc/09/60/80/585096080.db2.gz YFGDUTLEKPNJLF-UTUOFQBUSA-N 1 2 223.316 1.742 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](CC)CCC=C)C(=O)OC ZINC000839169232 585096163 /nfs/dbraw/zinc/09/61/63/585096163.db2.gz QCOZCSFUBYRSKW-VXGBXAGGSA-N 1 2 223.316 1.886 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000839169142 585096177 /nfs/dbraw/zinc/09/61/77/585096177.db2.gz QPRWFWYMXZJVTD-NOOOWODRSA-N 1 2 239.315 1.097 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CCC)CCC ZINC000743852817 585140798 /nfs/dbraw/zinc/14/07/98/585140798.db2.gz HPAIKBLUTGOHKP-UHFFFAOYSA-N 1 2 248.370 1.594 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CCC)CCC ZINC000743852817 585140799 /nfs/dbraw/zinc/14/07/99/585140799.db2.gz HPAIKBLUTGOHKP-UHFFFAOYSA-N 1 2 248.370 1.594 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC000744418980 585150065 /nfs/dbraw/zinc/15/00/65/585150065.db2.gz CELUPPAFQJOATH-GFCCVEGCSA-N 1 2 234.343 1.200 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC000744425620 585150515 /nfs/dbraw/zinc/15/05/15/585150515.db2.gz XXEUGDBFSOVJAW-VAWYXSNFSA-N 1 2 232.327 1.120 20 30 BDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@@H+]1C ZINC000752809916 585250392 /nfs/dbraw/zinc/25/03/92/585250392.db2.gz ZLZWOMQSJYSQKF-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@H+]1C ZINC000752809916 585250393 /nfs/dbraw/zinc/25/03/93/585250393.db2.gz ZLZWOMQSJYSQKF-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C#C[C@H](CC)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000752939580 585251503 /nfs/dbraw/zinc/25/15/03/585251503.db2.gz JCBYQPSZYCVJOF-SNVBAGLBSA-N 1 2 227.271 1.486 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000753606025 585263657 /nfs/dbraw/zinc/26/36/57/585263657.db2.gz KUXPRARRPAYCFW-UHFFFAOYSA-N 1 2 246.354 1.654 20 30 BDEDLO C1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C1 ZINC000753931583 585272098 /nfs/dbraw/zinc/27/20/98/585272098.db2.gz ZZQLFYUJZVNMBW-QWRGUYRKSA-N 1 2 220.320 1.776 20 30 BDEDLO CCOCC(C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753932876 585272230 /nfs/dbraw/zinc/27/22/30/585272230.db2.gz AWTOUBHHXAVMEB-GHMZBOCLSA-N 1 2 238.335 1.259 20 30 BDEDLO C#C[C@H](CC)NC(=O)CCCn1cc[nH+]c1 ZINC000754389355 585283668 /nfs/dbraw/zinc/28/36/68/585283668.db2.gz BAXIBCAMPKONJD-LLVKDONJSA-N 1 2 219.288 1.191 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCc1ccccc1 ZINC000755565826 585301622 /nfs/dbraw/zinc/30/16/22/585301622.db2.gz WRHIFCOAVODTJT-UHFFFAOYSA-N 1 2 214.272 1.842 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1nccnc1Cl ZINC000755716152 585304748 /nfs/dbraw/zinc/30/47/48/585304748.db2.gz CMEHIGSAVUSZDI-UHFFFAOYSA-N 1 2 236.666 1.608 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NO[C@H]1CCCCO1 ZINC000755820747 585308086 /nfs/dbraw/zinc/30/80/86/585308086.db2.gz YJJOFHRRFUNQNN-JTQLQIEISA-N 1 2 209.249 1.595 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(OCC)cn1 ZINC000755962737 585311558 /nfs/dbraw/zinc/31/15/58/585311558.db2.gz WXYDYFDTCXISAD-UHFFFAOYSA-N 1 2 242.322 1.939 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OCC)cn1 ZINC000755962737 585311559 /nfs/dbraw/zinc/31/15/59/585311559.db2.gz WXYDYFDTCXISAD-UHFFFAOYSA-N 1 2 242.322 1.939 20 30 BDEDLO C=C(Cl)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000839577097 585330620 /nfs/dbraw/zinc/33/06/20/585330620.db2.gz ANIMCBLRCQCNMJ-ZETCQYMHSA-N 1 2 227.699 1.411 20 30 BDEDLO Cc1ccn(C[NH+]2C3CCC2CC3)c(=O)c1C#N ZINC000758186256 585351331 /nfs/dbraw/zinc/35/13/31/585351331.db2.gz MPJSUYQQSJCSQB-UHFFFAOYSA-N 1 2 243.310 1.613 20 30 BDEDLO COc1ccc(C#N)cc1NCc1[nH+]ccn1C ZINC000758414056 585355817 /nfs/dbraw/zinc/35/58/17/585355817.db2.gz PPSHLEFONNKKHE-UHFFFAOYSA-N 1 2 242.282 1.912 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cnn(C(C)(C)C)c1 ZINC000790303048 585413270 /nfs/dbraw/zinc/41/32/70/585413270.db2.gz PVDBPRCZMPCCBS-UHFFFAOYSA-N 1 2 246.318 1.818 20 30 BDEDLO C=CCCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000761402447 585415024 /nfs/dbraw/zinc/41/50/24/585415024.db2.gz KHPJNXOAHSGRJK-GFCCVEGCSA-N 1 2 239.315 1.549 20 30 BDEDLO C=CCCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000761402447 585415025 /nfs/dbraw/zinc/41/50/25/585415025.db2.gz KHPJNXOAHSGRJK-GFCCVEGCSA-N 1 2 239.315 1.549 20 30 BDEDLO C[C@@H]1C[C@H]1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854858 585420489 /nfs/dbraw/zinc/42/04/89/585420489.db2.gz IDSYTUTVEFFKIO-ZJUUUORDSA-N 1 2 242.286 1.716 20 30 BDEDLO C[C@@H](CO)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000769894138 585566356 /nfs/dbraw/zinc/56/63/56/585566356.db2.gz UTMXRHKSNCAIIO-GHMZBOCLSA-N 1 2 210.321 1.629 20 30 BDEDLO C[C@@H](CO)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000769894138 585566357 /nfs/dbraw/zinc/56/63/57/585566357.db2.gz UTMXRHKSNCAIIO-GHMZBOCLSA-N 1 2 210.321 1.629 20 30 BDEDLO COCC#CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000775680141 585683115 /nfs/dbraw/zinc/68/31/15/585683115.db2.gz AEOWQYWOZXMSHT-NSHDSACASA-N 1 2 242.319 1.196 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C)c(C)o1)[C@@H]1CCCO1 ZINC000775793450 585685141 /nfs/dbraw/zinc/68/51/41/585685141.db2.gz KVNWEKDRFZIPFW-RYUDHWBXSA-N 1 2 234.299 1.562 20 30 BDEDLO COc1cccc(N=NCc2[nH]cc[nH+]2)n1 ZINC000779819042 585767085 /nfs/dbraw/zinc/76/70/85/585767085.db2.gz HDCNZOPRTNVAGD-UHFFFAOYSA-N 1 2 217.232 1.259 20 30 BDEDLO C[C@H](C#N)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780093661 585772407 /nfs/dbraw/zinc/77/24/07/585772407.db2.gz ZGZKAVAUYSLJHP-ZYHUDNBSSA-N 1 2 232.283 1.745 20 30 BDEDLO C#CCCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000780535095 585780086 /nfs/dbraw/zinc/78/00/86/585780086.db2.gz CKGLORGJEJJNAB-UHFFFAOYSA-N 1 2 219.288 1.610 20 30 BDEDLO C#CCCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000780535095 585780087 /nfs/dbraw/zinc/78/00/87/585780087.db2.gz CKGLORGJEJJNAB-UHFFFAOYSA-N 1 2 219.288 1.610 20 30 BDEDLO Cc1ccc(F)c(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781594932 585799872 /nfs/dbraw/zinc/79/98/72/585799872.db2.gz LOOVEHOARFCYOB-UHFFFAOYSA-N 1 2 245.261 1.952 20 30 BDEDLO CN(C)c1cc(C[N@H+](C)CCC#N)ccn1 ZINC000782175813 585809755 /nfs/dbraw/zinc/80/97/55/585809755.db2.gz NAGIFVMMVZNSLC-UHFFFAOYSA-N 1 2 218.304 1.493 20 30 BDEDLO CN(C)c1cc(C[N@@H+](C)CCC#N)ccn1 ZINC000782175813 585809756 /nfs/dbraw/zinc/80/97/56/585809756.db2.gz NAGIFVMMVZNSLC-UHFFFAOYSA-N 1 2 218.304 1.493 20 30 BDEDLO Cn1c[nH+]cc1C=NNCCC(C)(C)C ZINC000782903090 585825752 /nfs/dbraw/zinc/82/57/52/585825752.db2.gz PFAOUZJEBXBNDR-UHFFFAOYSA-N 1 2 208.309 1.780 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(C#N)c(C)c1 ZINC000783040522 585827349 /nfs/dbraw/zinc/82/73/49/585827349.db2.gz SKEBCCLVGPAGGN-JTQLQIEISA-N 1 2 247.298 1.900 20 30 BDEDLO C=CCC[N@@H+](C)CN1c2ccccc2C(=O)C1=O ZINC000786101649 585887454 /nfs/dbraw/zinc/88/74/54/585887454.db2.gz HZIBEWOVMPYWOM-UHFFFAOYSA-N 1 2 244.294 1.681 20 30 BDEDLO C=CCC[N@H+](C)CN1c2ccccc2C(=O)C1=O ZINC000786101649 585887455 /nfs/dbraw/zinc/88/74/55/585887455.db2.gz HZIBEWOVMPYWOM-UHFFFAOYSA-N 1 2 244.294 1.681 20 30 BDEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cncs1 ZINC000787170737 585902526 /nfs/dbraw/zinc/90/25/26/585902526.db2.gz BAATXOJFFKMPAV-OWOJBTEDSA-N 1 2 205.242 1.762 20 30 BDEDLO N#CCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000787359887 585907702 /nfs/dbraw/zinc/90/77/02/585907702.db2.gz OFGBPVWEPXXPKG-NSHDSACASA-N 1 2 247.302 1.143 20 30 BDEDLO Cc1cc(C(=O)/C=C/c2[nH]cc[nH+]2)n(C)n1 ZINC000789156678 585935864 /nfs/dbraw/zinc/93/58/64/585935864.db2.gz RAEGLDUSWMAPLS-ONEGZZNKSA-N 1 2 216.244 1.348 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cn(C(C)C)nn1)[C@@H]1CCCO1 ZINC000808406986 585961003 /nfs/dbraw/zinc/96/10/03/585961003.db2.gz PYPANZVOACXLOA-OLZOCXBDSA-N 1 2 248.330 1.129 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cc(O)cc(O)c1 ZINC000790300690 585962786 /nfs/dbraw/zinc/96/27/86/585962786.db2.gz YLVOVOBMCYVZDX-UHFFFAOYSA-N 1 2 246.270 1.667 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1ccc(O)cc1 ZINC000790299392 585962860 /nfs/dbraw/zinc/96/28/60/585962860.db2.gz DKSBZINJLXRPBD-UHFFFAOYSA-N 1 2 230.271 1.962 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cn(C)nc1C ZINC000790299366 585962871 /nfs/dbraw/zinc/96/28/71/585962871.db2.gz AOORVTFJMSACJV-UHFFFAOYSA-N 1 2 232.291 1.298 20 30 BDEDLO CC[C@@H]1CC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000793811890 586026873 /nfs/dbraw/zinc/02/68/73/586026873.db2.gz YIONSNCHPPFJML-LLVKDONJSA-N 1 2 231.299 1.470 20 30 BDEDLO CC[C@@H]1CC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000793811890 586026874 /nfs/dbraw/zinc/02/68/74/586026874.db2.gz YIONSNCHPPFJML-LLVKDONJSA-N 1 2 231.299 1.470 20 30 BDEDLO COCCN(C)N=Cc1c[nH+]c2c(C)cccn12 ZINC000794963735 586058487 /nfs/dbraw/zinc/05/84/87/586058487.db2.gz IAOWKMQHUBTZEM-UHFFFAOYSA-N 1 2 246.314 1.555 20 30 BDEDLO Cc1ccoc1C[N@H+](C)CC(=O)NCCC#N ZINC000795169814 586070207 /nfs/dbraw/zinc/07/02/07/586070207.db2.gz YTPMBRMNFPCFPI-UHFFFAOYSA-N 1 2 235.287 1.050 20 30 BDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)NCCC#N ZINC000795169814 586070208 /nfs/dbraw/zinc/07/02/08/586070208.db2.gz YTPMBRMNFPCFPI-UHFFFAOYSA-N 1 2 235.287 1.050 20 30 BDEDLO Cc1nn(C)c(C)c1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000798232164 586141159 /nfs/dbraw/zinc/14/11/59/586141159.db2.gz WXDCTJGNFYTWGM-WAYWQWQTSA-N 1 2 244.298 1.667 20 30 BDEDLO CC[C@H](C)[NH2+]NC1=CC(=O)N2CCC[C@H]12 ZINC000799484749 586176106 /nfs/dbraw/zinc/17/61/06/586176106.db2.gz COKGPWMVZNFYLT-WCBMZHEXSA-N 1 2 209.293 1.125 20 30 BDEDLO CC#CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000801177522 586245218 /nfs/dbraw/zinc/24/52/18/586245218.db2.gz WPTGRQGKHGIJNT-UHFFFAOYSA-N 1 2 217.272 1.418 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000801916826 586276385 /nfs/dbraw/zinc/27/63/85/586276385.db2.gz GIXQICPXBYAIGX-JTQLQIEISA-N 1 2 242.319 1.189 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000801916826 586276386 /nfs/dbraw/zinc/27/63/86/586276386.db2.gz GIXQICPXBYAIGX-JTQLQIEISA-N 1 2 242.319 1.189 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000801913183 586276497 /nfs/dbraw/zinc/27/64/97/586276497.db2.gz RJMROHJMQBUYHG-RYUDHWBXSA-N 1 2 248.330 1.518 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000801913183 586276499 /nfs/dbraw/zinc/27/64/99/586276499.db2.gz RJMROHJMQBUYHG-RYUDHWBXSA-N 1 2 248.330 1.518 20 30 BDEDLO Cc1nc(C(C)(C)[NH2+]CCO[C@@H](C)C#N)no1 ZINC000801932632 586278968 /nfs/dbraw/zinc/27/89/68/586278968.db2.gz SHJDBCWXWHUWJO-QMMMGPOBSA-N 1 2 238.291 1.131 20 30 BDEDLO C=CC[N@H+](CN1Cc2cccnc2C1=O)C(C)C ZINC000839971215 586306571 /nfs/dbraw/zinc/30/65/71/586306571.db2.gz XXCVOQYWNQRWDF-UHFFFAOYSA-N 1 2 245.326 1.891 20 30 BDEDLO C=CC[N@@H+](CN1Cc2cccnc2C1=O)C(C)C ZINC000839971215 586306574 /nfs/dbraw/zinc/30/65/74/586306574.db2.gz XXCVOQYWNQRWDF-UHFFFAOYSA-N 1 2 245.326 1.891 20 30 BDEDLO CC[C@](C)(C#N)C(=O)OCc1cc[nH+]c(N)c1 ZINC000803783845 586374989 /nfs/dbraw/zinc/37/49/89/586374989.db2.gz GBROXEPCHGOSDA-GFCCVEGCSA-N 1 2 233.271 1.647 20 30 BDEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000840040463 586391018 /nfs/dbraw/zinc/39/10/18/586391018.db2.gz DVWNVSGTGIBAGA-NEPJUHHUSA-N 1 2 220.316 1.605 20 30 BDEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000840040463 586391021 /nfs/dbraw/zinc/39/10/21/586391021.db2.gz DVWNVSGTGIBAGA-NEPJUHHUSA-N 1 2 220.316 1.605 20 30 BDEDLO C#CCC(CC#C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000807259825 586430483 /nfs/dbraw/zinc/43/04/83/586430483.db2.gz FDBSVUUHPLUPBV-GFCCVEGCSA-N 1 2 243.310 1.640 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2ccc(N)nc2)nn1 ZINC000807969284 586453377 /nfs/dbraw/zinc/45/33/77/586453377.db2.gz AWGFIADBKJMRBI-UHFFFAOYSA-N 1 2 228.259 1.208 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000840169372 586503703 /nfs/dbraw/zinc/50/37/03/586503703.db2.gz YFHDKEOEXHJQOS-AWEZNQCLSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000840169372 586503704 /nfs/dbraw/zinc/50/37/04/586503704.db2.gz YFHDKEOEXHJQOS-AWEZNQCLSA-N 1 2 245.322 1.843 20 30 BDEDLO C#Cc1ccc(C[NH2+]Cc2ncnn2C)cc1 ZINC000809623490 586509217 /nfs/dbraw/zinc/50/92/17/586509217.db2.gz WSKXSPMHHCPFGW-UHFFFAOYSA-N 1 2 226.283 1.086 20 30 BDEDLO C#CCC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000810118985 586534673 /nfs/dbraw/zinc/53/46/73/586534673.db2.gz JXMKIYROLNPWHF-JTQLQIEISA-N 1 2 237.303 1.669 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1occc1C ZINC000814144742 586614797 /nfs/dbraw/zinc/61/47/97/586614797.db2.gz YDNGYUFSXSBPIX-LBPRGKRZSA-N 1 2 246.310 1.302 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1occc1C ZINC000814144742 586614798 /nfs/dbraw/zinc/61/47/98/586614798.db2.gz YDNGYUFSXSBPIX-LBPRGKRZSA-N 1 2 246.310 1.302 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2cn(C)[nH]c2=O)cc1 ZINC000814212289 586617797 /nfs/dbraw/zinc/61/77/97/586617797.db2.gz MEKJJAHZZWZVSH-UHFFFAOYSA-N 1 2 230.271 1.880 20 30 BDEDLO Cn1cc(C=[NH+]NC2CCCCC2)c(=O)[nH]1 ZINC000814227839 586618498 /nfs/dbraw/zinc/61/84/98/586618498.db2.gz NUPMNHXPPBKNSJ-UHFFFAOYSA-N 1 2 222.292 1.382 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000814247643 586620484 /nfs/dbraw/zinc/62/04/84/586620484.db2.gz POHQTAJLZJQRIP-NSHDSACASA-N 1 2 241.298 1.659 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000814247642 586620504 /nfs/dbraw/zinc/62/05/04/586620504.db2.gz POHQTAJLZJQRIP-LLVKDONJSA-N 1 2 241.298 1.659 20 30 BDEDLO CC(=[NH+]N1CCOCC1)c1cc(N)ccc1F ZINC000814696675 586629871 /nfs/dbraw/zinc/62/98/71/586629871.db2.gz SIHAUTCAXMKFIJ-UHFFFAOYSA-N 1 2 237.278 1.464 20 30 BDEDLO Nc1ncc2c(n1)CCCC2=[NH+]OCCC1CC1 ZINC000814941568 586655961 /nfs/dbraw/zinc/65/59/61/586655961.db2.gz MGMCIPLEIMIPDF-UHFFFAOYSA-N 1 2 246.314 1.916 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000815700614 586692063 /nfs/dbraw/zinc/69/20/63/586692063.db2.gz NXVJGMVROSREJJ-SECBINFHSA-N 1 2 232.274 1.360 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000815700614 586692065 /nfs/dbraw/zinc/69/20/65/586692065.db2.gz NXVJGMVROSREJJ-SECBINFHSA-N 1 2 232.274 1.360 20 30 BDEDLO N#CCCNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000819408184 586962076 /nfs/dbraw/zinc/96/20/76/586962076.db2.gz NFUYYPBZPOZNRN-UHFFFAOYSA-N 1 2 245.326 1.973 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN1CCOCC1 ZINC000819801236 586995747 /nfs/dbraw/zinc/99/57/47/586995747.db2.gz DYBTVRPFMGNSSS-UHFFFAOYSA-N 1 2 222.292 1.130 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNC[C@H](C)C#N ZINC000819808712 586996619 /nfs/dbraw/zinc/99/66/19/586996619.db2.gz GTPUAGKWQMBVNE-SNVBAGLBSA-N 1 2 219.292 1.547 20 30 BDEDLO N#Cc1ccc(N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000819930938 587003272 /nfs/dbraw/zinc/00/32/72/587003272.db2.gz OTQITMKTTHVXOD-JTQLQIEISA-N 1 2 225.255 1.707 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822398282 587165893 /nfs/dbraw/zinc/16/58/93/587165893.db2.gz XVBHNJORBBTAJI-GMTAPVOTSA-N 1 2 231.299 1.431 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822398282 587165894 /nfs/dbraw/zinc/16/58/94/587165894.db2.gz XVBHNJORBBTAJI-GMTAPVOTSA-N 1 2 231.299 1.431 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823254975 587211412 /nfs/dbraw/zinc/21/14/12/587211412.db2.gz JIOOQSBXUUSBQL-GIPNMCIBSA-N 1 2 231.299 1.431 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823254975 587211413 /nfs/dbraw/zinc/21/14/13/587211413.db2.gz JIOOQSBXUUSBQL-GIPNMCIBSA-N 1 2 231.299 1.431 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000823306463 587215386 /nfs/dbraw/zinc/21/53/86/587215386.db2.gz UGRJZFLCXCMLQI-ZFWWWQNUSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CCCC(C)C)CC1 ZINC000823305568 587215528 /nfs/dbraw/zinc/21/55/28/587215528.db2.gz JUEAXVGHIBJHMD-UHFFFAOYSA-N 1 2 236.359 1.590 20 30 BDEDLO C#CCN(C(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000823793761 587240607 /nfs/dbraw/zinc/24/06/07/587240607.db2.gz SKUFUTFIKVJPPO-JTQLQIEISA-N 1 2 246.314 1.288 20 30 BDEDLO C=C[C@H](C)ONC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824033484 587249848 /nfs/dbraw/zinc/24/98/48/587249848.db2.gz MYVBHWAIBOUILF-CYNONHLPSA-N 1 2 221.260 1.056 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000824291302 587265042 /nfs/dbraw/zinc/26/50/42/587265042.db2.gz VUSVDCFCEWYBJS-QJPTWQEYSA-N 1 2 243.310 1.385 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000824291302 587265044 /nfs/dbraw/zinc/26/50/44/587265044.db2.gz VUSVDCFCEWYBJS-QJPTWQEYSA-N 1 2 243.310 1.385 20 30 BDEDLO CCN(C(=O)/C=C\c1cn(C)c[nH+]1)[C@H](C)C#N ZINC000825635139 587328055 /nfs/dbraw/zinc/32/80/55/587328055.db2.gz LTADEUJXCJZZED-WWQCOOJYSA-N 1 2 232.287 1.194 20 30 BDEDLO CC#CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826703902 587359496 /nfs/dbraw/zinc/35/94/96/587359496.db2.gz MLPMOMISLWEIHP-ZDUSSCGKSA-N 1 2 228.295 1.313 20 30 BDEDLO CC#CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826703902 587359497 /nfs/dbraw/zinc/35/94/97/587359497.db2.gz MLPMOMISLWEIHP-ZDUSSCGKSA-N 1 2 228.295 1.313 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCCO1 ZINC000828307552 587433239 /nfs/dbraw/zinc/43/32/39/587433239.db2.gz QFLFSHIXXXRIJL-KGLIPLIRSA-N 1 2 241.294 1.224 20 30 BDEDLO CC(C)C#CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000831211846 587592191 /nfs/dbraw/zinc/59/21/91/587592191.db2.gz YFWNLBAIZOOXMM-GFCCVEGCSA-N 1 2 245.326 1.395 20 30 BDEDLO C#CC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000831592879 587621974 /nfs/dbraw/zinc/62/19/74/587621974.db2.gz HDIZICIBLGQJMI-UHFFFAOYSA-N 1 2 243.310 1.689 20 30 BDEDLO C[C@@H](CC#N)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831608055 587623439 /nfs/dbraw/zinc/62/34/39/587623439.db2.gz ZRDFDWHLVPUEMV-UWVGGRQHSA-N 1 2 232.287 1.623 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)OCCCC ZINC000831678832 587627341 /nfs/dbraw/zinc/62/73/41/587627341.db2.gz IERYFHCWWVWDTK-MNOVXSKESA-N 1 2 227.304 1.263 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000832222198 587651053 /nfs/dbraw/zinc/65/10/53/587651053.db2.gz KILPCIIODWIOJN-JTQLQIEISA-N 1 2 243.310 1.139 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000832222198 587651055 /nfs/dbraw/zinc/65/10/55/587651055.db2.gz KILPCIIODWIOJN-JTQLQIEISA-N 1 2 243.310 1.139 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1ccn(C)n1)[C@H]1CCCO1 ZINC000840744975 587919202 /nfs/dbraw/zinc/91/92/02/587919202.db2.gz BHLTZSJTDZEJEJ-NTZNESFSSA-N 1 2 233.315 1.252 20 30 BDEDLO CSCCON=CC(C)(C)[NH+]1CCOCC1 ZINC000841637494 587964384 /nfs/dbraw/zinc/96/43/84/587964384.db2.gz XAXOWMPBWHKYLH-UHFFFAOYSA-N 1 2 246.376 1.463 20 30 BDEDLO CC[C@H](CO[NH+]=C(N)c1ccc(F)cc1)OC ZINC000842019489 587989080 /nfs/dbraw/zinc/98/90/80/587989080.db2.gz PJJJAFHODRWWIW-LLVKDONJSA-N 1 2 240.278 1.888 20 30 BDEDLO C=CCOCCO[NH+]=C(N)Cc1cccnc1 ZINC000842037087 587992016 /nfs/dbraw/zinc/99/20/16/587992016.db2.gz VGJSQFGJHHUXDW-UHFFFAOYSA-N 1 2 235.287 1.325 20 30 BDEDLO C#CCC[NH+]1CCN(C[C@H](CC)OC)CC1 ZINC000842154918 588004279 /nfs/dbraw/zinc/00/42/79/588004279.db2.gz YWFCYZRPVZGMLY-ZDUSSCGKSA-N 1 2 224.348 1.052 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN(C)[C@@H](C)CO ZINC000842539004 588037141 /nfs/dbraw/zinc/03/71/41/588037141.db2.gz QQDNFQQTELEWEQ-JTQLQIEISA-N 1 2 224.308 1.111 20 30 BDEDLO C#CC1CC[NH+](Cn2ncsc2=S)CC1 ZINC000842634553 588047620 /nfs/dbraw/zinc/04/76/20/588047620.db2.gz XXCFUKTUNAOISF-UHFFFAOYSA-N 1 2 239.369 1.977 20 30 BDEDLO C=C(CC)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842658491 588050108 /nfs/dbraw/zinc/05/01/08/588050108.db2.gz ZDWBVUIOUNHRIK-LLVKDONJSA-N 1 2 242.319 1.647 20 30 BDEDLO C#CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000844047528 588158109 /nfs/dbraw/zinc/15/81/09/588158109.db2.gz RFKDNBXNCCTNHV-UHFFFAOYSA-N 1 2 231.299 1.214 20 30 BDEDLO C=C(C)CONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000844279477 588179714 /nfs/dbraw/zinc/17/97/14/588179714.db2.gz AJCFCLSSNPZUHP-SNVBAGLBSA-N 1 2 238.291 1.079 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000844282867 588180404 /nfs/dbraw/zinc/18/04/04/588180404.db2.gz YKPSQXNGXLDBAD-NXEZZACHSA-N 1 2 238.291 1.077 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc2n(n1)CCC2 ZINC000844301786 588182158 /nfs/dbraw/zinc/18/21/58/588182158.db2.gz YRIOIJCWOPTTSW-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc2n(n1)CCC2 ZINC000844301786 588182160 /nfs/dbraw/zinc/18/21/60/588182160.db2.gz YRIOIJCWOPTTSW-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C#CCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000844461571 588197080 /nfs/dbraw/zinc/19/70/80/588197080.db2.gz FQWVTIWVRSYAMK-ZDUSSCGKSA-N 1 2 233.315 1.207 20 30 BDEDLO C#CCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000844461571 588197081 /nfs/dbraw/zinc/19/70/81/588197081.db2.gz FQWVTIWVRSYAMK-ZDUSSCGKSA-N 1 2 233.315 1.207 20 30 BDEDLO C/C=C(\CC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844528811 588200810 /nfs/dbraw/zinc/20/08/10/588200810.db2.gz ZHMWNJYKNBVNPO-GCZGVDRJSA-N 1 2 223.320 1.303 20 30 BDEDLO CCC/C(C)=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844529124 588201030 /nfs/dbraw/zinc/20/10/30/588201030.db2.gz NTUBQMHHBMZLGD-BIRHUZIMSA-N 1 2 237.347 1.693 20 30 BDEDLO C#C[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845479309 588229841 /nfs/dbraw/zinc/22/98/41/588229841.db2.gz JSLWUOJPHREXLL-NXEZZACHSA-N 1 2 206.245 1.399 20 30 BDEDLO C#C[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845479312 588230082 /nfs/dbraw/zinc/23/00/82/588230082.db2.gz JSLWUOJPHREXLL-VHSXEESVSA-N 1 2 206.245 1.399 20 30 BDEDLO C#C[C@@H](CC)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845516773 588231263 /nfs/dbraw/zinc/23/12/63/588231263.db2.gz PIZRRBTVYSATRN-MNOVXSKESA-N 1 2 220.272 1.789 20 30 BDEDLO C=C[C@H](C)ONC(=O)N(C)Cc1[nH+]ccn1C ZINC000845622312 588237296 /nfs/dbraw/zinc/23/72/96/588237296.db2.gz CVIPVIIZGGUBHW-VIFPVBQESA-N 1 2 238.291 1.068 20 30 BDEDLO COc1cc(OC)c(C[NH2+]CCC#N)cc1F ZINC000845964927 588252130 /nfs/dbraw/zinc/25/21/30/588252130.db2.gz NAJBGTZOLOWOPA-UHFFFAOYSA-N 1 2 238.262 1.846 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000846546696 588274194 /nfs/dbraw/zinc/27/41/94/588274194.db2.gz DYYSRVGGRSKBSK-ZJUUUORDSA-N 1 2 235.287 1.068 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cn(CCC=C)nn1 ZINC000846874640 588294782 /nfs/dbraw/zinc/29/47/82/588294782.db2.gz LNINOLDCFREVQV-UHFFFAOYSA-N 1 2 232.331 1.698 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cn(CCC=C)nn1 ZINC000846874640 588294783 /nfs/dbraw/zinc/29/47/83/588294783.db2.gz LNINOLDCFREVQV-UHFFFAOYSA-N 1 2 232.331 1.698 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(Cl)cn1 ZINC000846982992 588300362 /nfs/dbraw/zinc/30/03/62/588300362.db2.gz RMMQIJDTVZNFGO-QMMMGPOBSA-N 1 2 224.695 1.912 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000847116990 588306717 /nfs/dbraw/zinc/30/67/17/588306717.db2.gz QPEYRDHZXFPTEF-WDEREUQCSA-N 1 2 245.326 1.289 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000847116990 588306718 /nfs/dbraw/zinc/30/67/18/588306718.db2.gz QPEYRDHZXFPTEF-WDEREUQCSA-N 1 2 245.326 1.289 20 30 BDEDLO CC[C@H](C#N)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000847168929 588308373 /nfs/dbraw/zinc/30/83/73/588308373.db2.gz PMNKVZUUAIDTGF-SNVBAGLBSA-N 1 2 242.282 1.708 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000848035280 588348703 /nfs/dbraw/zinc/34/87/03/588348703.db2.gz QLHDRKUEPCUWNN-UHFFFAOYSA-N 1 2 246.301 1.750 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000848035280 588348705 /nfs/dbraw/zinc/34/87/05/588348705.db2.gz QLHDRKUEPCUWNN-UHFFFAOYSA-N 1 2 246.301 1.750 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000848274725 588369299 /nfs/dbraw/zinc/36/92/99/588369299.db2.gz CNVCVEMVIUPIIO-RYUDHWBXSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000848274725 588369301 /nfs/dbraw/zinc/36/93/01/588369301.db2.gz CNVCVEMVIUPIIO-RYUDHWBXSA-N 1 2 245.326 1.460 20 30 BDEDLO C[C@H]1CC(=NNCCCn2cc[nH+]c2)[C@H](C)O1 ZINC000848416545 588381353 /nfs/dbraw/zinc/38/13/53/588381353.db2.gz OTUDMWYIVZFGRV-QWRGUYRKSA-N 1 2 236.319 1.416 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cc[nH]n1 ZINC000848416292 588381768 /nfs/dbraw/zinc/38/17/68/588381768.db2.gz GDGYSHXKWKZBJX-UHFFFAOYSA-N 1 2 232.291 1.010 20 30 BDEDLO c1cn(CCCN=NC2CCCOCC2)c[nH+]1 ZINC000848418600 588382143 /nfs/dbraw/zinc/38/21/43/588382143.db2.gz OAJOPJBIDSQEJC-UHFFFAOYSA-N 1 2 236.319 1.419 20 30 BDEDLO CCn1nccc1C=NNCCCn1cc[nH+]c1 ZINC000848419270 588382159 /nfs/dbraw/zinc/38/21/59/588382159.db2.gz WOWSOFMJTQVKJT-UHFFFAOYSA-N 1 2 246.318 1.113 20 30 BDEDLO COCC(=NNCCCn1cc[nH+]c1)C1CC1 ZINC000848418511 588382615 /nfs/dbraw/zinc/38/26/15/588382615.db2.gz MXBPVENANMRONP-UHFFFAOYSA-N 1 2 236.319 1.275 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1ccco1 ZINC000848420257 588382664 /nfs/dbraw/zinc/38/26/64/588382664.db2.gz UWYPLBHDECUNRJ-UHFFFAOYSA-N 1 2 218.260 1.490 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(Cl)n1C ZINC000848903346 588418805 /nfs/dbraw/zinc/41/88/05/588418805.db2.gz QDXWVDSVDLUQIM-MRVPVSSYSA-N 1 2 226.711 1.855 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCc1cccc2[nH+]ccn21 ZINC000850898718 588575063 /nfs/dbraw/zinc/57/50/63/588575063.db2.gz CPDHWEJFCTXUJC-JTQLQIEISA-N 1 2 243.266 1.927 20 30 BDEDLO C[C@@H](CC#N)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000850998210 588582944 /nfs/dbraw/zinc/58/29/44/588582944.db2.gz NXNDPUOQWFPLFW-VHSXEESVSA-N 1 2 228.267 1.123 20 30 BDEDLO C[C@@H](CC#N)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000850998210 588582945 /nfs/dbraw/zinc/58/29/45/588582945.db2.gz NXNDPUOQWFPLFW-VHSXEESVSA-N 1 2 228.267 1.123 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851744916 588621640 /nfs/dbraw/zinc/62/16/40/588621640.db2.gz RRHRENQAYQOBLL-UWVGGRQHSA-N 1 2 212.293 1.229 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851744916 588621641 /nfs/dbraw/zinc/62/16/41/588621641.db2.gz RRHRENQAYQOBLL-UWVGGRQHSA-N 1 2 212.293 1.229 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851744429 588621995 /nfs/dbraw/zinc/62/19/95/588621995.db2.gz FEQBNBZMFLJXQG-PWSUYJOCSA-N 1 2 219.288 1.206 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851744429 588621996 /nfs/dbraw/zinc/62/19/96/588621996.db2.gz FEQBNBZMFLJXQG-PWSUYJOCSA-N 1 2 219.288 1.206 20 30 BDEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000851775995 588626640 /nfs/dbraw/zinc/62/66/40/588626640.db2.gz CFYDDWTUIRMTLD-GFCCVEGCSA-N 1 2 235.283 1.303 20 30 BDEDLO C#CCOCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000851775995 588626641 /nfs/dbraw/zinc/62/66/41/588626641.db2.gz CFYDDWTUIRMTLD-GFCCVEGCSA-N 1 2 235.283 1.303 20 30 BDEDLO N#CCC[N@@H+](C[C@H](O)c1ccccn1)CC1CC1 ZINC000851796710 588629636 /nfs/dbraw/zinc/62/96/36/588629636.db2.gz DCHRLVGFZVBUTC-AWEZNQCLSA-N 1 2 245.326 1.741 20 30 BDEDLO N#CCC[N@H+](C[C@H](O)c1ccccn1)CC1CC1 ZINC000851796710 588629637 /nfs/dbraw/zinc/62/96/37/588629637.db2.gz DCHRLVGFZVBUTC-AWEZNQCLSA-N 1 2 245.326 1.741 20 30 BDEDLO C#CCOCC[N@H+](CC(F)F)C(C)C ZINC000851817369 588633064 /nfs/dbraw/zinc/63/30/64/588633064.db2.gz DJXBKLIYFUXWMF-UHFFFAOYSA-N 1 2 205.248 1.612 20 30 BDEDLO C#CCOCC[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000851855168 588635491 /nfs/dbraw/zinc/63/54/91/588635491.db2.gz CHEWCVKZDBBUCM-LLVKDONJSA-N 1 2 241.331 1.204 20 30 BDEDLO CCn1ncc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000851911801 588642769 /nfs/dbraw/zinc/64/27/69/588642769.db2.gz FITFVNJQOFQSDY-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C)oc1C)[C@H]1CCCO1 ZINC000851951499 588647521 /nfs/dbraw/zinc/64/75/21/588647521.db2.gz XJEZQYJWWBXEIE-WCQYABFASA-N 1 2 234.299 1.562 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOC(F)F ZINC000852074641 588660068 /nfs/dbraw/zinc/66/00/68/588660068.db2.gz DNUWDXWBDSESTM-UHFFFAOYSA-N 1 2 204.220 1.627 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(N(C)C)no1 ZINC000852103226 588663387 /nfs/dbraw/zinc/66/33/87/588663387.db2.gz ARHYEMVFEQRUKC-LLVKDONJSA-N 1 2 222.292 1.027 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1csnn1 ZINC000852103852 588663785 /nfs/dbraw/zinc/66/37/85/588663785.db2.gz TYVMFYWCWPAQDS-PSASIEDQSA-N 1 2 209.318 1.991 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852275400 588675294 /nfs/dbraw/zinc/67/52/94/588675294.db2.gz OHMJCVWPZOBJTF-QWRGUYRKSA-N 1 2 248.330 1.582 20 30 BDEDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319818 588677733 /nfs/dbraw/zinc/67/77/33/588677733.db2.gz SBRCUIQWEQCKGO-VXGBXAGGSA-N 1 2 238.331 1.954 20 30 BDEDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319818 588677734 /nfs/dbraw/zinc/67/77/34/588677734.db2.gz SBRCUIQWEQCKGO-VXGBXAGGSA-N 1 2 238.331 1.954 20 30 BDEDLO C[C@@H](C#N)OCC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000852475130 588683253 /nfs/dbraw/zinc/68/32/53/588683253.db2.gz YXAIWSUXLLLRDD-MXWKQRLJSA-N 1 2 224.304 1.072 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)c2ccccn2)C1 ZINC000852684068 588695348 /nfs/dbraw/zinc/69/53/48/588695348.db2.gz ASUQDPRZOIXLIU-STQMWFEESA-N 1 2 231.299 1.351 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000852684068 588695349 /nfs/dbraw/zinc/69/53/49/588695349.db2.gz ASUQDPRZOIXLIU-STQMWFEESA-N 1 2 231.299 1.351 20 30 BDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852763536 588700922 /nfs/dbraw/zinc/70/09/22/588700922.db2.gz SXYRWQOVEBTDGE-UHFFFAOYSA-N 1 2 232.711 1.559 20 30 BDEDLO COCC(=[NH+]n1cccn1)C1CCOCC1 ZINC000863164438 589266893 /nfs/dbraw/zinc/26/68/93/589266893.db2.gz JYQRABATQGHJKY-UHFFFAOYSA-N 1 2 223.276 1.160 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(C)c(C#N)c1 ZINC000863459352 589289890 /nfs/dbraw/zinc/28/98/90/589289890.db2.gz OQTLTRHDFSSFPP-JTQLQIEISA-N 1 2 247.298 1.900 20 30 BDEDLO COCC#CCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477993 589292187 /nfs/dbraw/zinc/29/21/87/589292187.db2.gz GIELMUNTYHQMDU-UHFFFAOYSA-N 1 2 240.303 1.094 20 30 BDEDLO CC#CCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478266 589292328 /nfs/dbraw/zinc/29/23/28/589292328.db2.gz MKMWNCDTZLJWPS-UHFFFAOYSA-N 1 2 210.277 1.467 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000120471282 589416861 /nfs/dbraw/zinc/41/68/61/589416861.db2.gz BJXRKOMTSHVJFX-KGLIPLIRSA-N 1 2 248.370 1.590 20 30 BDEDLO N#Cc1c[nH]nc1NCc1cn(C2CC2)c[nH+]1 ZINC000865565103 589446995 /nfs/dbraw/zinc/44/69/95/589446995.db2.gz VDHYJWJRBLTKOD-UHFFFAOYSA-N 1 2 228.259 1.425 20 30 BDEDLO C#C[C@@H](C)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000865731795 589458817 /nfs/dbraw/zinc/45/88/17/589458817.db2.gz ZYYLUSCHKRUCJZ-ZJUUUORDSA-N 1 2 204.273 1.593 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865852090 589465083 /nfs/dbraw/zinc/46/50/83/589465083.db2.gz NDLSKYGXPPTGAF-JLLWLGSASA-N 1 2 234.299 1.890 20 30 BDEDLO C=C[C@H](CO)Nc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865955569 589470119 /nfs/dbraw/zinc/47/01/19/589470119.db2.gz HENWPLHXYWJAJO-SECBINFHSA-N 1 2 249.318 1.070 20 30 BDEDLO C=C[C@H](CO)Nc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865955569 589470120 /nfs/dbraw/zinc/47/01/20/589470120.db2.gz HENWPLHXYWJAJO-SECBINFHSA-N 1 2 249.318 1.070 20 30 BDEDLO CON(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866387240 589489194 /nfs/dbraw/zinc/48/91/94/589489194.db2.gz OIYCVYMIQBHGGH-JTQLQIEISA-N 1 2 249.314 1.408 20 30 BDEDLO C#CCNC(=O)CCn1c[nH+]c(C(C)(C)C)c1 ZINC000871988753 589853476 /nfs/dbraw/zinc/85/34/76/589853476.db2.gz HBVZOOARJNCHAS-UHFFFAOYSA-N 1 2 233.315 1.320 20 30 BDEDLO C(=NNC1CCOCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872356548 589917596 /nfs/dbraw/zinc/91/75/96/589917596.db2.gz RWGPORJJKVWPKH-UHFFFAOYSA-N 1 2 245.286 1.012 20 30 BDEDLO C[C@H](CC#N)NN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872358921 589918894 /nfs/dbraw/zinc/91/88/94/589918894.db2.gz ZJOAFGJKLDITID-MRVPVSSYSA-N 1 2 228.259 1.135 20 30 BDEDLO Cn1cc[nH+]c1NN=C1CCCc2ncccc21 ZINC000872370330 589923260 /nfs/dbraw/zinc/92/32/60/589923260.db2.gz XWTNZVQGDXLLDP-UHFFFAOYSA-N 1 2 241.298 1.968 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CCC2(CCC2)C1=O ZINC000872600222 589956166 /nfs/dbraw/zinc/95/61/66/589956166.db2.gz CGQBLZSXFBJFJZ-LLVKDONJSA-N 1 2 220.316 1.300 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCC2(CCC2)C1=O ZINC000872600222 589956167 /nfs/dbraw/zinc/95/61/67/589956167.db2.gz CGQBLZSXFBJFJZ-LLVKDONJSA-N 1 2 220.316 1.300 20 30 BDEDLO C=C(C)CCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000125058173 590116191 /nfs/dbraw/zinc/11/61/91/590116191.db2.gz VZCXLHRZQOOQIA-LLVKDONJSA-N 1 2 243.372 1.933 20 30 BDEDLO N#CCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891294 590153738 /nfs/dbraw/zinc/15/37/38/590153738.db2.gz LAFDRPUSDHWQDG-LBPRGKRZSA-N 1 2 247.273 1.212 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876690966 590231360 /nfs/dbraw/zinc/23/13/60/590231360.db2.gz WOJONBLHZWOBPT-JTQLQIEISA-N 1 2 243.314 1.702 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876690966 590231361 /nfs/dbraw/zinc/23/13/61/590231361.db2.gz WOJONBLHZWOBPT-JTQLQIEISA-N 1 2 243.314 1.702 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000876734419 590234264 /nfs/dbraw/zinc/23/42/64/590234264.db2.gz SEOFVFGNGRMFEU-OCCSQVGLSA-N 1 2 246.358 1.598 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000876734419 590234265 /nfs/dbraw/zinc/23/42/65/590234265.db2.gz SEOFVFGNGRMFEU-OCCSQVGLSA-N 1 2 246.358 1.598 20 30 BDEDLO CCCn1cc(C[NH+]2CCC(C)(C#N)CC2)nn1 ZINC000877182354 590298254 /nfs/dbraw/zinc/29/82/54/590298254.db2.gz LTRJMRJRPYDUSP-UHFFFAOYSA-N 1 2 247.346 1.814 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)nn1 ZINC000877366659 590319418 /nfs/dbraw/zinc/31/94/18/590319418.db2.gz XLXROLLBXPUUCO-QMMMGPOBSA-N 1 2 224.695 1.912 20 30 BDEDLO CCOC(=O)c1ccc(C[NH2+]CCC#N)[nH]1 ZINC000877483930 590338191 /nfs/dbraw/zinc/33/81/91/590338191.db2.gz RQFDICKBKLNSKQ-UHFFFAOYSA-N 1 2 221.260 1.195 20 30 BDEDLO N#Cc1cccc(C[NH+]2CC3(C2)CCOC3)n1 ZINC000877554997 590356329 /nfs/dbraw/zinc/35/63/29/590356329.db2.gz QYFUKUUHQBCJRX-UHFFFAOYSA-N 1 2 229.283 1.176 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000877580462 590364276 /nfs/dbraw/zinc/36/42/76/590364276.db2.gz DDIVWWWZDJXHRP-UHFFFAOYSA-N 1 2 201.269 1.235 20 30 BDEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000877580363 590365046 /nfs/dbraw/zinc/36/50/46/590365046.db2.gz ATQWIOPHVUIKDC-LLVKDONJSA-N 1 2 246.310 1.544 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000877897807 590442599 /nfs/dbraw/zinc/44/25/99/590442599.db2.gz QZWBSWTXXCSBCB-JTQLQIEISA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000877897807 590442602 /nfs/dbraw/zinc/44/26/02/590442602.db2.gz QZWBSWTXXCSBCB-JTQLQIEISA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000877958051 590457535 /nfs/dbraw/zinc/45/75/35/590457535.db2.gz QYKYMOBXUQAHEW-QWRGUYRKSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000877958051 590457536 /nfs/dbraw/zinc/45/75/36/590457536.db2.gz QYKYMOBXUQAHEW-QWRGUYRKSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000878379843 590556674 /nfs/dbraw/zinc/55/66/74/590556674.db2.gz XWJPIONXUUUYFO-QWRGUYRKSA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccccn1 ZINC000878668518 590606463 /nfs/dbraw/zinc/60/64/63/590606463.db2.gz YDWDDRQOQSSLDV-GFCCVEGCSA-N 1 2 234.299 1.631 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccccn1 ZINC000878668518 590606464 /nfs/dbraw/zinc/60/64/64/590606464.db2.gz YDWDDRQOQSSLDV-GFCCVEGCSA-N 1 2 234.299 1.631 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878704420 590612466 /nfs/dbraw/zinc/61/24/66/590612466.db2.gz AOXDZFDEGKPHIS-CHWSQXEVSA-N 1 2 235.327 1.280 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878704420 590612467 /nfs/dbraw/zinc/61/24/67/590612467.db2.gz AOXDZFDEGKPHIS-CHWSQXEVSA-N 1 2 235.327 1.280 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC)C(=O)OC ZINC000878805013 590625393 /nfs/dbraw/zinc/62/53/93/590625393.db2.gz GDZRTIYLRCRMIL-IJLUTSLNSA-N 1 2 241.331 1.651 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(OC)n1)C1CSC1 ZINC000878910069 590646980 /nfs/dbraw/zinc/64/69/80/590646980.db2.gz HDNCYPDWAAYTNB-UHFFFAOYSA-N 1 2 249.339 1.036 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(OC)n1)C1CSC1 ZINC000878910069 590646984 /nfs/dbraw/zinc/64/69/84/590646984.db2.gz HDNCYPDWAAYTNB-UHFFFAOYSA-N 1 2 249.339 1.036 20 30 BDEDLO C#CC[N@H+](Cc1ccns1)C1CSC1 ZINC000878910690 590647109 /nfs/dbraw/zinc/64/71/09/590647109.db2.gz QLNJGYMQSXNFAV-UHFFFAOYSA-N 1 2 224.354 1.694 20 30 BDEDLO C#CC[N@@H+](Cc1ccns1)C1CSC1 ZINC000878910690 590647113 /nfs/dbraw/zinc/64/71/13/590647113.db2.gz QLNJGYMQSXNFAV-UHFFFAOYSA-N 1 2 224.354 1.694 20 30 BDEDLO CO[C@H]1C[C@@H](C[N@H+]([C@H](C)C#N)C2CC2)C1 ZINC000878919301 590652175 /nfs/dbraw/zinc/65/21/75/590652175.db2.gz JSNAIPPWQSPQMZ-FOGDFJRCSA-N 1 2 208.305 1.788 20 30 BDEDLO CO[C@H]1C[C@@H](C[N@@H+]([C@H](C)C#N)C2CC2)C1 ZINC000878919301 590652179 /nfs/dbraw/zinc/65/21/79/590652179.db2.gz JSNAIPPWQSPQMZ-FOGDFJRCSA-N 1 2 208.305 1.788 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879309098 590734267 /nfs/dbraw/zinc/73/42/67/590734267.db2.gz UIYVBLKUPUNRDQ-SXSOHVCJSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879309098 590734272 /nfs/dbraw/zinc/73/42/72/590734272.db2.gz UIYVBLKUPUNRDQ-SXSOHVCJSA-N 1 2 236.315 1.730 20 30 BDEDLO C#CC[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000879328554 590747301 /nfs/dbraw/zinc/74/73/01/590747301.db2.gz LEPHUGUMRGXSGK-UHFFFAOYSA-N 1 2 230.315 1.240 20 30 BDEDLO C#CC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000879328554 590747304 /nfs/dbraw/zinc/74/73/04/590747304.db2.gz LEPHUGUMRGXSGK-UHFFFAOYSA-N 1 2 230.315 1.240 20 30 BDEDLO C=CC[C@H](C)[N@@H+](CC#N)CCC(=O)OC ZINC000879472018 590773909 /nfs/dbraw/zinc/77/39/09/590773909.db2.gz NCFQPMJMTAIHCI-JTQLQIEISA-N 1 2 210.277 1.340 20 30 BDEDLO C=CC[C@H](C)[N@H+](CC#N)CCC(=O)OC ZINC000879472018 590773911 /nfs/dbraw/zinc/77/39/11/590773911.db2.gz NCFQPMJMTAIHCI-JTQLQIEISA-N 1 2 210.277 1.340 20 30 BDEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1cnn[nH]1 ZINC000879432856 590768931 /nfs/dbraw/zinc/76/89/31/590768931.db2.gz JRTFSXHVMWJABS-UHFFFAOYSA-N 1 2 241.298 1.351 20 30 BDEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnn[nH]1 ZINC000879432856 590768934 /nfs/dbraw/zinc/76/89/34/590768934.db2.gz JRTFSXHVMWJABS-UHFFFAOYSA-N 1 2 241.298 1.351 20 30 BDEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1c[nH]nn1 ZINC000879432856 590768937 /nfs/dbraw/zinc/76/89/37/590768937.db2.gz JRTFSXHVMWJABS-UHFFFAOYSA-N 1 2 241.298 1.351 20 30 BDEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1c[nH]nn1 ZINC000879432856 590768940 /nfs/dbraw/zinc/76/89/40/590768940.db2.gz JRTFSXHVMWJABS-UHFFFAOYSA-N 1 2 241.298 1.351 20 30 BDEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1cn[nH]n1 ZINC000879432856 590768942 /nfs/dbraw/zinc/76/89/42/590768942.db2.gz JRTFSXHVMWJABS-UHFFFAOYSA-N 1 2 241.298 1.351 20 30 BDEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1cn[nH]n1 ZINC000879432856 590768946 /nfs/dbraw/zinc/76/89/46/590768946.db2.gz JRTFSXHVMWJABS-UHFFFAOYSA-N 1 2 241.298 1.351 20 30 BDEDLO CCC[C@@H](C)[N@@H+](CC#N)CCC(=O)OC ZINC000879471932 590775821 /nfs/dbraw/zinc/77/58/21/590775821.db2.gz KDUSNLFSQXCMSY-SNVBAGLBSA-N 1 2 212.293 1.564 20 30 BDEDLO CCC[C@@H](C)[N@H+](CC#N)CCC(=O)OC ZINC000879471932 590775826 /nfs/dbraw/zinc/77/58/26/590775826.db2.gz KDUSNLFSQXCMSY-SNVBAGLBSA-N 1 2 212.293 1.564 20 30 BDEDLO C=CC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879504601 590783233 /nfs/dbraw/zinc/78/32/33/590783233.db2.gz IZDLUEOQZCPYTB-QMMMGPOBSA-N 1 2 209.211 1.826 20 30 BDEDLO C=CC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879504601 590783236 /nfs/dbraw/zinc/78/32/36/590783236.db2.gz IZDLUEOQZCPYTB-QMMMGPOBSA-N 1 2 209.211 1.826 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccnn1C ZINC000879686919 590848404 /nfs/dbraw/zinc/84/84/04/590848404.db2.gz LLAUSDXSSKVPEO-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000128298850 590974002 /nfs/dbraw/zinc/97/40/02/590974002.db2.gz BSDXYWUNVFWUGN-CYBMUJFWSA-N 1 2 232.327 1.120 20 30 BDEDLO C=CC(C)(C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000880265337 590979645 /nfs/dbraw/zinc/97/96/45/590979645.db2.gz ADNBYGVGHPVIMH-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000880482861 591055865 /nfs/dbraw/zinc/05/58/65/591055865.db2.gz SYNIXCFUQYYAIT-UHFFFAOYSA-N 1 2 247.342 1.377 20 30 BDEDLO C#CCC1(O)CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000880482861 591055869 /nfs/dbraw/zinc/05/58/69/591055869.db2.gz SYNIXCFUQYYAIT-UHFFFAOYSA-N 1 2 247.342 1.377 20 30 BDEDLO Cc1ccc(NCCn2cc[nH+]c2)c(C#N)n1 ZINC000881762922 591269204 /nfs/dbraw/zinc/26/92/04/591269204.db2.gz NMSZLGFZMCNIIR-UHFFFAOYSA-N 1 2 227.271 1.570 20 30 BDEDLO Cc1ccc(N[C@H](C)Cn2cc[nH+]c2)c(C#N)n1 ZINC000881801419 591271653 /nfs/dbraw/zinc/27/16/53/591271653.db2.gz HCZADTNLFUQXRC-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO Cc1[nH+]cnc(NC2CCN(CC#N)CC2)c1C ZINC000881954834 591284046 /nfs/dbraw/zinc/28/40/46/591284046.db2.gz SBLNDOMKIGVPOL-UHFFFAOYSA-N 1 2 245.330 1.493 20 30 BDEDLO C#CCn1cc(CNc2nc[nH+]c(C)c2C)cn1 ZINC000882271712 591323209 /nfs/dbraw/zinc/32/32/09/591323209.db2.gz CIIQAXVQYWSISR-UHFFFAOYSA-N 1 2 241.298 1.535 20 30 BDEDLO C#CCC[C@@H](O)CNc1nc[nH+]c(C)c1C ZINC000882310164 591328003 /nfs/dbraw/zinc/32/80/03/591328003.db2.gz DXRXRTGZIWSIME-LLVKDONJSA-N 1 2 219.288 1.280 20 30 BDEDLO C#C[C@@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000882543861 591389361 /nfs/dbraw/zinc/38/93/61/591389361.db2.gz JAZSMUVHARAMKL-GFCCVEGCSA-N 1 2 215.300 1.943 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000129863755 591414923 /nfs/dbraw/zinc/41/49/23/591414923.db2.gz OHIGOHPFZZTFKO-KGLIPLIRSA-N 1 2 248.370 1.590 20 30 BDEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cn2)no1 ZINC000883098164 591539290 /nfs/dbraw/zinc/53/92/90/591539290.db2.gz DMPPOMCMWGXQHO-UHFFFAOYSA-N 1 2 228.255 1.540 20 30 BDEDLO C#CCOCCC(=O)Nc1cc[nH+]cc1C ZINC000132359528 591703424 /nfs/dbraw/zinc/70/34/24/591703424.db2.gz HQIRBZZVENMGCT-UHFFFAOYSA-N 1 2 218.256 1.368 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NC1=[NH+]CCS1 ZINC000134911829 591959328 /nfs/dbraw/zinc/95/93/28/591959328.db2.gz VSBMLZBAVFGASB-SNVBAGLBSA-N 1 2 212.318 1.808 20 30 BDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nccnc2F)C1 ZINC000884610695 591993830 /nfs/dbraw/zinc/99/38/30/591993830.db2.gz SPJNPORRAXUQIG-SNVBAGLBSA-N 1 2 234.278 1.125 20 30 BDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nccnc2F)C1 ZINC000884610695 591993832 /nfs/dbraw/zinc/99/38/32/591993832.db2.gz SPJNPORRAXUQIG-SNVBAGLBSA-N 1 2 234.278 1.125 20 30 BDEDLO N#CC[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC1 ZINC000885979522 592119901 /nfs/dbraw/zinc/11/99/01/592119901.db2.gz FKGBDHQGVDEXJO-CMPLNLGQSA-N 1 2 206.289 1.401 20 30 BDEDLO N#CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CC1 ZINC000885979522 592119903 /nfs/dbraw/zinc/11/99/03/592119903.db2.gz FKGBDHQGVDEXJO-CMPLNLGQSA-N 1 2 206.289 1.401 20 30 BDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC=C(F)C2)CCC1 ZINC000886102783 592155516 /nfs/dbraw/zinc/15/55/16/592155516.db2.gz QJLXGIRSKPLSQE-GFCCVEGCSA-N 1 2 238.306 1.990 20 30 BDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC=C(F)C2)CCC1 ZINC000886102783 592155518 /nfs/dbraw/zinc/15/55/18/592155518.db2.gz QJLXGIRSKPLSQE-GFCCVEGCSA-N 1 2 238.306 1.990 20 30 BDEDLO N#C[C@]1(F)CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886164973 592167580 /nfs/dbraw/zinc/16/75/80/592167580.db2.gz YWXHMFOOWXDLRW-GRYCIOLGSA-N 1 2 224.279 1.351 20 30 BDEDLO N#C[C@]1(F)CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886164973 592167582 /nfs/dbraw/zinc/16/75/82/592167582.db2.gz YWXHMFOOWXDLRW-GRYCIOLGSA-N 1 2 224.279 1.351 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886166670 592168137 /nfs/dbraw/zinc/16/81/37/592168137.db2.gz OBBOULDEHGVPTC-UHFFFAOYSA-N 1 2 205.217 1.055 20 30 BDEDLO C#CC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886166670 592168138 /nfs/dbraw/zinc/16/81/38/592168138.db2.gz OBBOULDEHGVPTC-UHFFFAOYSA-N 1 2 205.217 1.055 20 30 BDEDLO CC1(C#N)C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886183949 592171633 /nfs/dbraw/zinc/17/16/33/592171633.db2.gz QUTPNMHJNFVOEE-JQWIXIFHSA-N 1 2 206.289 1.258 20 30 BDEDLO N#CCC1(C[N@@H+]2CCCn3nncc3C2)CC1 ZINC000886467153 592229747 /nfs/dbraw/zinc/22/97/47/592229747.db2.gz WRUWAENPLOGNDN-UHFFFAOYSA-N 1 2 231.303 1.178 20 30 BDEDLO N#CCC1(C[N@H+]2CCCn3nncc3C2)CC1 ZINC000886467153 592229750 /nfs/dbraw/zinc/22/97/50/592229750.db2.gz WRUWAENPLOGNDN-UHFFFAOYSA-N 1 2 231.303 1.178 20 30 BDEDLO C#CCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC000886800612 592332059 /nfs/dbraw/zinc/33/20/59/592332059.db2.gz ZIUCEAMYEDVLAO-NSHDSACASA-N 1 2 245.326 1.651 20 30 BDEDLO C#CCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC000886800612 592332065 /nfs/dbraw/zinc/33/20/65/592332065.db2.gz ZIUCEAMYEDVLAO-NSHDSACASA-N 1 2 245.326 1.651 20 30 BDEDLO C=C(C)C[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887070462 592433399 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/nfs/dbraw/zinc/60/65/88/635606588.db2.gz CLDOWEFWHMXNBQ-MNOVXSKESA-N 1 2 222.288 1.175 20 30 BDEDLO N#C[C@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000932157109 635606591 /nfs/dbraw/zinc/60/65/91/635606591.db2.gz CLDOWEFWHMXNBQ-MNOVXSKESA-N 1 2 222.288 1.175 20 30 BDEDLO Cc1nc(C#N)cc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000308329403 631290766 /nfs/dbraw/zinc/29/07/66/631290766.db2.gz JMNISHYHEKWBHM-SECBINFHSA-N 1 2 242.286 1.354 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538966 631399228 /nfs/dbraw/zinc/39/92/28/631399228.db2.gz NIRPNMFYOYWGKM-AAEUAGOBSA-N 1 2 248.330 1.486 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933538966 631399232 /nfs/dbraw/zinc/39/92/32/631399232.db2.gz NIRPNMFYOYWGKM-AAEUAGOBSA-N 1 2 248.330 1.486 20 30 BDEDLO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934012630 631589604 /nfs/dbraw/zinc/58/96/04/631589604.db2.gz BUQCNYJFUZRCCL-GFCCVEGCSA-N 1 2 236.702 1.778 20 30 BDEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934012630 631589611 /nfs/dbraw/zinc/58/96/11/631589611.db2.gz BUQCNYJFUZRCCL-GFCCVEGCSA-N 1 2 236.702 1.778 20 30 BDEDLO C#CC1(O)C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC000934449262 631839321 /nfs/dbraw/zinc/83/93/21/631839321.db2.gz VBCGCQFNMRWWCB-CYBMUJFWSA-N 1 2 213.280 1.354 20 30 BDEDLO C#CCCCCCC[NH+]1CC(O)(C#C)C1 ZINC000934453129 631843011 /nfs/dbraw/zinc/84/30/11/631843011.db2.gz JRBASZYQSIHBMI-UHFFFAOYSA-N 1 2 205.301 1.250 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cnccn1 ZINC000934459726 631850924 /nfs/dbraw/zinc/85/09/24/631850924.db2.gz KYSWCMYIWOXMOI-JTQLQIEISA-N 1 2 232.287 1.066 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cnccn1 ZINC000934459726 631850928 /nfs/dbraw/zinc/85/09/28/631850928.db2.gz KYSWCMYIWOXMOI-JTQLQIEISA-N 1 2 232.287 1.066 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nnnn1C1CC1 ZINC000934462385 631854145 /nfs/dbraw/zinc/85/41/45/631854145.db2.gz UAUSXRIHHFOFAP-NXEZZACHSA-N 1 2 233.319 1.719 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nnnn1C1CC1 ZINC000934462385 631854146 /nfs/dbraw/zinc/85/41/46/631854146.db2.gz UAUSXRIHHFOFAP-NXEZZACHSA-N 1 2 233.319 1.719 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(C)no1 ZINC000934471992 631867075 /nfs/dbraw/zinc/86/70/75/631867075.db2.gz XULOOPXSJFNXLW-MNOVXSKESA-N 1 2 249.314 1.960 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(C)no1 ZINC000934471992 631867079 /nfs/dbraw/zinc/86/70/79/631867079.db2.gz XULOOPXSJFNXLW-MNOVXSKESA-N 1 2 249.314 1.960 20 30 BDEDLO C=CC[N@@H+](C)CN1CC2(CC1=O)CCOCC2 ZINC000155010921 632102226 /nfs/dbraw/zinc/10/22/26/632102226.db2.gz CEGLTKJHSCVDCA-UHFFFAOYSA-N 1 2 238.331 1.091 20 30 BDEDLO C=CC[N@H+](C)CN1CC2(CC1=O)CCOCC2 ZINC000155010921 632102238 /nfs/dbraw/zinc/10/22/38/632102238.db2.gz CEGLTKJHSCVDCA-UHFFFAOYSA-N 1 2 238.331 1.091 20 30 BDEDLO C=C(Br)C[NH2+]Cc1ocnc1C ZINC000894241493 635765232 /nfs/dbraw/zinc/76/52/32/635765232.db2.gz JDBROYYXMCRSMF-UHFFFAOYSA-N 1 2 231.093 1.981 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)co2)CC1 ZINC000949765699 632493620 /nfs/dbraw/zinc/49/36/20/632493620.db2.gz IUZKPQBIPSUKHY-UHFFFAOYSA-N 1 2 248.326 1.922 20 30 BDEDLO Cc1cn2cc(NC(=O)NCCC#N)ccc2[nH+]1 ZINC000335734547 636125638 /nfs/dbraw/zinc/12/56/38/636125638.db2.gz TWMFLWYCGLWTAI-UHFFFAOYSA-N 1 2 243.270 1.678 20 30 BDEDLO NC(Cc1cccnc1)=[NH+]OCc1cccnc1 ZINC000193685074 634286890 /nfs/dbraw/zinc/28/68/90/634286890.db2.gz LXAOOFBSZWHGAN-UHFFFAOYSA-N 1 2 242.282 1.508 20 30 BDEDLO N#CC[C@H](NC(=O)C[NH+]1CCCC1)C(F)(F)F ZINC000928812061 636379272 /nfs/dbraw/zinc/37/92/72/636379272.db2.gz MPKFKNCLICLTPV-QMMMGPOBSA-N 1 2 249.236 1.043 20 30 BDEDLO C=CC(C)(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898909263 637065237 /nfs/dbraw/zinc/06/52/37/637065237.db2.gz MEXOEPMGSZQHFR-UHFFFAOYSA-N 1 2 235.331 1.947 20 30 BDEDLO Cc1[nH]c(CNC(=O)C#CC(C)C)[nH+]c1C ZINC000901000678 637225898 /nfs/dbraw/zinc/22/58/98/637225898.db2.gz PLYXKEMTPTVXIV-UHFFFAOYSA-N 1 2 219.288 1.302 20 30 BDEDLO CC(=O)C(C)=NOCc1ccc[nH+]c1N ZINC000902757908 637332548 /nfs/dbraw/zinc/33/25/48/637332548.db2.gz BPISTSXKTMJORK-UHFFFAOYSA-N 1 2 207.233 1.145 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)C(=O)OC ZINC000905779240 637908025 /nfs/dbraw/zinc/90/80/25/637908025.db2.gz VIODQOCUMCETAT-OPRDCNLKSA-N 1 2 229.345 1.588 20 30 BDEDLO C#CC[N@H+](CN1C(=O)CC(C)(C)C1=O)C(C)C ZINC000905743281 637904720 /nfs/dbraw/zinc/90/47/20/637904720.db2.gz MYWFGAWLKKKCFY-UHFFFAOYSA-N 1 2 236.315 1.073 20 30 BDEDLO C#CC[N@@H+](CN1C(=O)CC(C)(C)C1=O)C(C)C ZINC000905743281 637904724 /nfs/dbraw/zinc/90/47/24/637904724.db2.gz MYWFGAWLKKKCFY-UHFFFAOYSA-N 1 2 236.315 1.073 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)C(=O)OC ZINC000905780156 637907879 /nfs/dbraw/zinc/90/78/79/637907879.db2.gz PEHMCAGXKYXOAW-AEJSXWLSSA-N 1 2 229.345 1.588 20 30 BDEDLO C#CC[C@H](CCOC)[NH2+][C@H](CC=C)C(=O)OC ZINC000905778147 637908346 /nfs/dbraw/zinc/90/83/46/637908346.db2.gz OVGVPCOIYOMJJU-VXGBXAGGSA-N 1 2 239.315 1.122 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](C)SC)C(=O)OC ZINC000905764400 637919985 /nfs/dbraw/zinc/91/99/85/637919985.db2.gz XSLBDRDFJVBBRI-BDAKNGLRSA-N 1 2 217.334 1.445 20 30 BDEDLO C=C(C)COCC[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000905766567 637922741 /nfs/dbraw/zinc/92/27/41/637922741.db2.gz JCVSOYNXTFNDBR-VXGBXAGGSA-N 1 2 243.347 1.756 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000905773935 637928726 /nfs/dbraw/zinc/92/87/26/637928726.db2.gz LNPLKAKEIYHPJW-RKDXNWHRSA-N 1 2 247.285 1.985 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@H]1CCCO1)C(=O)OC ZINC000905830182 637948823 /nfs/dbraw/zinc/94/88/23/637948823.db2.gz PGLIQHKUBGRVFC-MNOVXSKESA-N 1 2 227.304 1.263 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907807119 638471529 /nfs/dbraw/zinc/47/15/29/638471529.db2.gz FUDLZHPXDBEJCM-NSHDSACASA-N 1 2 219.288 1.519 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907949799 638520396 /nfs/dbraw/zinc/52/03/96/638520396.db2.gz ZUNPEHUUJBTRGX-GXFFZTMASA-N 1 2 249.314 1.050 20 30 BDEDLO C#C[C@@H](NC(=O)CNc1cccc[nH+]1)C(C)C ZINC000907967248 638529277 /nfs/dbraw/zinc/52/92/77/638529277.db2.gz RKZFHURYQNNYHB-LLVKDONJSA-N 1 2 231.299 1.268 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908213440 638614360 /nfs/dbraw/zinc/61/43/60/638614360.db2.gz PBLRZKDOQPSSQE-UHFFFAOYSA-N 1 2 234.303 1.398 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)CNc1cccc[nH+]1 ZINC000908300723 638649674 /nfs/dbraw/zinc/64/96/74/638649674.db2.gz XGLHBFJDASYQFL-ZDUSSCGKSA-N 1 2 244.298 1.302 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@H](C)[C@@H](C)O1 ZINC000930249793 639659604 /nfs/dbraw/zinc/65/96/04/639659604.db2.gz AWVYGRBIDGZCPE-IJLUTSLNSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@H](C)[C@@H](C)O1 ZINC000930249793 639659605 /nfs/dbraw/zinc/65/96/05/639659605.db2.gz AWVYGRBIDGZCPE-IJLUTSLNSA-N 1 2 245.326 1.951 20 30 BDEDLO COC(=O)/C=C(/C)C[N@H+](C)CC(C)(C)C#N ZINC000930567102 639811815 /nfs/dbraw/zinc/81/18/15/639811815.db2.gz DTSACGHEIJLOCA-POHAHGRESA-N 1 2 224.304 1.587 20 30 BDEDLO COC(=O)/C=C(/C)C[N@@H+](C)CC(C)(C)C#N ZINC000930567102 639811816 /nfs/dbraw/zinc/81/18/16/639811816.db2.gz DTSACGHEIJLOCA-POHAHGRESA-N 1 2 224.304 1.587 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000912046503 639934094 /nfs/dbraw/zinc/93/40/94/639934094.db2.gz GWOTUHZIUXRTGF-LBPRGKRZSA-N 1 2 243.310 1.365 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931455144 640211803 /nfs/dbraw/zinc/21/18/03/640211803.db2.gz HKZFXLFIRXJIBM-NXEZZACHSA-N 1 2 248.330 1.020 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931455144 640211809 /nfs/dbraw/zinc/21/18/09/640211809.db2.gz HKZFXLFIRXJIBM-NXEZZACHSA-N 1 2 248.330 1.020 20 30 BDEDLO Cn1ccc([C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000932139320 640438485 /nfs/dbraw/zinc/43/84/85/640438485.db2.gz MUQQAYADOVFJRT-LLVKDONJSA-N 1 2 218.304 1.513 20 30 BDEDLO Cn1ccc([C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000932139320 640438488 /nfs/dbraw/zinc/43/84/88/640438488.db2.gz MUQQAYADOVFJRT-LLVKDONJSA-N 1 2 218.304 1.513 20 30 BDEDLO Cc1nc(CC2CC[NH+](CCC#N)CC2)no1 ZINC000932247213 640456392 /nfs/dbraw/zinc/45/63/92/640456392.db2.gz LIBPXLOYMLEELF-UHFFFAOYSA-N 1 2 234.303 1.546 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)C(C)C ZINC000932392624 640520822 /nfs/dbraw/zinc/52/08/22/640520822.db2.gz ATMYYELKAOHEBR-UHFFFAOYSA-N 1 2 248.330 1.309 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)C(C)C ZINC000932392624 640520825 /nfs/dbraw/zinc/52/08/25/640520825.db2.gz ATMYYELKAOHEBR-UHFFFAOYSA-N 1 2 248.330 1.309 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccs2)C1 ZINC001030059151 640558208 /nfs/dbraw/zinc/55/82/08/640558208.db2.gz BOOMHLSCEHVDOV-UHFFFAOYSA-N 1 2 248.351 1.114 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C)c2)C1 ZINC001030073940 640576992 /nfs/dbraw/zinc/57/69/92/640576992.db2.gz PJOWAYSDOLGQGT-UHFFFAOYSA-N 1 2 242.322 1.432 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccnc2)C1 ZINC001030220718 640693046 /nfs/dbraw/zinc/69/30/46/640693046.db2.gz JTBQFKJDPOPXLY-UHFFFAOYSA-N 1 2 245.326 1.001 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933545764 640726091 /nfs/dbraw/zinc/72/60/91/640726091.db2.gz ZPKYMUYUZGFDPM-CYBMUJFWSA-N 1 2 235.331 1.760 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933545764 640726097 /nfs/dbraw/zinc/72/60/97/640726097.db2.gz ZPKYMUYUZGFDPM-CYBMUJFWSA-N 1 2 235.331 1.760 20 30 BDEDLO COCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933622112 640736142 /nfs/dbraw/zinc/73/61/42/640736142.db2.gz ISAGAKVOKFVPOO-AWEZNQCLSA-N 1 2 246.310 1.578 20 30 BDEDLO COCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933622112 640736145 /nfs/dbraw/zinc/73/61/45/640736145.db2.gz ISAGAKVOKFVPOO-AWEZNQCLSA-N 1 2 246.310 1.578 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC001030356995 640787587 /nfs/dbraw/zinc/78/75/87/640787587.db2.gz WYCJYYUEYHYFMY-RYUDHWBXSA-N 1 2 236.359 1.799 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(F)CCCC2)C1 ZINC001030576384 640923321 /nfs/dbraw/zinc/92/33/21/640923321.db2.gz NGHSZAPUSFDYGI-UHFFFAOYSA-N 1 2 238.306 1.092 20 30 BDEDLO 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C=C(Br)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000307343475 642388099 /nfs/dbraw/zinc/38/80/99/642388099.db2.gz LNDWROBXOKTIKQ-UHFFFAOYSA-N 1 2 247.180 1.921 20 30 BDEDLO C=C(Br)CN1CC[N@H+](C)C(C)(C)C1 ZINC000307343475 642388107 /nfs/dbraw/zinc/38/81/07/642388107.db2.gz LNDWROBXOKTIKQ-UHFFFAOYSA-N 1 2 247.180 1.921 20 30 BDEDLO C=CCOCC[N@H+]1CCc2c(ncn2CC)C1 ZINC000933256033 642425842 /nfs/dbraw/zinc/42/58/42/642425842.db2.gz USWRGPPNAKOKSZ-UHFFFAOYSA-N 1 2 235.331 1.464 20 30 BDEDLO C=CCOCC[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933256033 642425852 /nfs/dbraw/zinc/42/58/52/642425852.db2.gz USWRGPPNAKOKSZ-UHFFFAOYSA-N 1 2 235.331 1.464 20 30 BDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(F)F)C1 ZINC000964614477 642761954 /nfs/dbraw/zinc/76/19/54/642761954.db2.gz WTJBFKYAERFMMI-UWVGGRQHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(F)F)C1 ZINC000964614477 642761959 /nfs/dbraw/zinc/76/19/59/642761959.db2.gz WTJBFKYAERFMMI-UWVGGRQHSA-N 1 2 244.285 1.101 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016059962 642948923 /nfs/dbraw/zinc/94/89/23/642948923.db2.gz JRNOPJFGGNTKCU-JTQLQIEISA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016059962 642948932 /nfs/dbraw/zinc/94/89/32/642948932.db2.gz JRNOPJFGGNTKCU-JTQLQIEISA-N 1 2 244.766 1.976 20 30 BDEDLO NC(=[NH+]OCCC1OCCO1)c1ccccc1 ZINC000184976921 643257990 /nfs/dbraw/zinc/25/79/90/643257990.db2.gz IAEDDHBUZNPSLV-UHFFFAOYSA-N 1 2 236.271 1.087 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001032245482 643397135 /nfs/dbraw/zinc/39/71/35/643397135.db2.gz MSMJGPPBKXADBH-KBPBESRZSA-N 1 2 246.354 1.485 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001032245482 643397140 /nfs/dbraw/zinc/39/71/40/643397140.db2.gz MSMJGPPBKXADBH-KBPBESRZSA-N 1 2 246.354 1.485 20 30 BDEDLO C=CCCC(=O)OCc1ccc[nH+]c1N ZINC000922406895 643990464 /nfs/dbraw/zinc/99/04/64/643990464.db2.gz OQEOPQGDUCSSME-UHFFFAOYSA-N 1 2 206.245 1.673 20 30 BDEDLO 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ZINC001038192347 710678965 /nfs/dbraw/zinc/67/89/65/710678965.db2.gz XFXGORAQHBZMAV-LBPRGKRZSA-N 1 2 232.283 1.025 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C)c1 ZINC001038192347 710678969 /nfs/dbraw/zinc/67/89/69/710678969.db2.gz XFXGORAQHBZMAV-LBPRGKRZSA-N 1 2 232.283 1.025 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001038680572 710702003 /nfs/dbraw/zinc/70/20/03/710702003.db2.gz JPOLQSCBPKSCGR-FRRDWIJNSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001038680572 710702005 /nfs/dbraw/zinc/70/20/05/710702005.db2.gz JPOLQSCBPKSCGR-FRRDWIJNSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038887484 710713909 /nfs/dbraw/zinc/71/39/09/710713909.db2.gz QDEKSMMBAJVGFZ-CHWSQXEVSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038887484 710713911 /nfs/dbraw/zinc/71/39/11/710713911.db2.gz QDEKSMMBAJVGFZ-CHWSQXEVSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccsc2)C1 ZINC001042456061 710784476 /nfs/dbraw/zinc/78/44/76/710784476.db2.gz XYAFXGZNWSDHMM-UHFFFAOYSA-N 1 2 248.351 1.528 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001043553200 710809322 /nfs/dbraw/zinc/80/93/22/710809322.db2.gz CQWOSNKKKVFTMT-OAHLLOKOSA-N 1 2 246.354 1.509 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001043668441 710810761 /nfs/dbraw/zinc/81/07/61/710810761.db2.gz OWNXZDFRBULYFA-WDEREUQCSA-N 1 2 240.322 1.453 20 30 BDEDLO COCCCO[NH+]=C(C)c1csc(N)n1 ZINC000389617214 711082541 /nfs/dbraw/zinc/08/25/41/711082541.db2.gz HCCPKAGWLKHJOC-UHFFFAOYSA-N 1 2 229.305 1.333 20 30 BDEDLO COC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000395673407 711213912 /nfs/dbraw/zinc/21/39/12/711213912.db2.gz DAGGNHWQGSSXDS-UHFFFAOYSA-N 1 2 237.303 1.064 20 30 BDEDLO N#CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000448350437 711909276 /nfs/dbraw/zinc/90/92/76/711909276.db2.gz HPDHQAAXNQMLFR-UHFFFAOYSA-N 1 2 226.283 1.876 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(C2CC2)o1 ZINC000700411155 711991876 /nfs/dbraw/zinc/99/18/76/711991876.db2.gz WWYRBXNKLCZYRC-LBPRGKRZSA-N 1 2 219.288 1.839 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000708132702 712182755 /nfs/dbraw/zinc/18/27/55/712182755.db2.gz BASSNUCDGUQAGI-UHFFFAOYSA-N 1 2 234.299 1.252 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)nc1 ZINC000379579927 712389308 /nfs/dbraw/zinc/38/93/08/712389308.db2.gz XRTLXHOBSCYHLK-QMMMGPOBSA-N 1 2 209.680 1.984 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)C#Cc1ccccc1 ZINC000380166473 712704952 /nfs/dbraw/zinc/70/49/52/712704952.db2.gz GPCDZISQUGWZAK-UHFFFAOYSA-N 1 2 239.278 1.386 20 30 BDEDLO CCOC(=O)/C=C\C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000931474335 712714224 /nfs/dbraw/zinc/71/42/24/712714224.db2.gz FDCZDPAECYOJOL-HJLXKUKWSA-N 1 2 236.315 1.730 20 30 BDEDLO CCOC(=O)/C=C\C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000931474335 712714225 /nfs/dbraw/zinc/71/42/25/712714225.db2.gz FDCZDPAECYOJOL-HJLXKUKWSA-N 1 2 236.315 1.730 20 30 BDEDLO Cc1cc(C#N)ccc1NCC[NH+]1CCOCC1 ZINC000037996204 712797539 /nfs/dbraw/zinc/79/75/39/712797539.db2.gz FLJKPWLOCTWWIG-UHFFFAOYSA-N 1 2 245.326 1.611 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC)C1 ZINC001268993049 962413127 /nfs/dbraw/zinc/41/31/27/962413127.db2.gz MSCLXUKJGVFPFG-JTQLQIEISA-N 1 2 230.739 1.730 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC)C1 ZINC001268993049 962413139 /nfs/dbraw/zinc/41/31/39/962413139.db2.gz MSCLXUKJGVFPFG-JTQLQIEISA-N 1 2 230.739 1.730 20 30 BDEDLO N#CCc1ccc[nH+]c1NC1CSC1 ZINC001168360276 964562142 /nfs/dbraw/zinc/56/21/42/964562142.db2.gz WYWNYSQMDQAFLJ-UHFFFAOYSA-N 1 2 205.286 1.675 20 30 BDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)C)C1 ZINC001107747280 966827378 /nfs/dbraw/zinc/82/73/78/966827378.db2.gz VXXYODACQPLIFO-ZDUSSCGKSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)C)C1 ZINC001107747280 966827383 /nfs/dbraw/zinc/82/73/83/966827383.db2.gz VXXYODACQPLIFO-ZDUSSCGKSA-N 1 2 240.347 1.036 20 30 BDEDLO CCCC[N@H+](CC#N)CC1(O)CCOCC1 ZINC001252962470 969055506 /nfs/dbraw/zinc/05/55/06/969055506.db2.gz BEMZTBHEOXJXFW-UHFFFAOYSA-N 1 2 226.320 1.154 20 30 BDEDLO CCCC[N@@H+](CC#N)CC1(O)CCOCC1 ZINC001252962470 969055512 /nfs/dbraw/zinc/05/55/12/969055512.db2.gz BEMZTBHEOXJXFW-UHFFFAOYSA-N 1 2 226.320 1.154 20 30 BDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CC[C@H](C#N)C1 ZINC001254661509 969772020 /nfs/dbraw/zinc/77/20/20/969772020.db2.gz UTOHNYLUZOAENS-WDEREUQCSA-N 1 2 216.288 1.601 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCC(F)F)CC1 ZINC001113113257 970347358 /nfs/dbraw/zinc/34/73/58/970347358.db2.gz HQZRWSZMIUPESG-UHFFFAOYSA-N 1 2 232.274 1.362 20 30 BDEDLO CC[C@](C)(C#N)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255614608 970400406 /nfs/dbraw/zinc/40/04/06/970400406.db2.gz BSDBQJSOESBLGZ-GFCCVEGCSA-N 1 2 238.331 1.954 20 30 BDEDLO C=CC[N@H+](CN1C(=O)CC1(C)C)[C@H](C)COC ZINC001333710439 976021179 /nfs/dbraw/zinc/02/11/79/976021179.db2.gz UZYKELYXGVRCIM-LLVKDONJSA-N 1 2 240.347 1.478 20 30 BDEDLO C=CC[N@@H+](CN1C(=O)CC1(C)C)[C@H](C)COC ZINC001333710439 976021200 /nfs/dbraw/zinc/02/12/00/976021200.db2.gz UZYKELYXGVRCIM-LLVKDONJSA-N 1 2 240.347 1.478 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001334097788 976293009 /nfs/dbraw/zinc/29/30/09/976293009.db2.gz QGFSBROTVLYEQN-SNVBAGLBSA-N 1 2 239.344 1.623 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001334097788 976293035 /nfs/dbraw/zinc/29/30/35/976293035.db2.gz QGFSBROTVLYEQN-SNVBAGLBSA-N 1 2 239.344 1.623 20 30 BDEDLO CCCn1cncc1C[NH2+][C@@H](C)CC#N ZINC001179478815 978708931 /nfs/dbraw/zinc/70/89/31/978708931.db2.gz FZZSZAWDQIMRDV-JTQLQIEISA-N 1 2 206.293 1.685 20 30 BDEDLO C#C[C@@H](CC(C)C)OCc1c[nH+]cn1C ZINC001222599389 972595948 /nfs/dbraw/zinc/59/59/48/972595948.db2.gz AIBRGAJXXHWRJH-LBPRGKRZSA-N 1 2 206.289 1.985 20 30 BDEDLO C#Cc1cc(Nc2ccc(CO)cc2F)cc[nH+]1 ZINC001216270324 971012322 /nfs/dbraw/zinc/01/23/22/971012322.db2.gz QGMHRWSIRVVENI-UHFFFAOYSA-N 1 2 242.253 1.860 20 30 BDEDLO Cc1nc(C#N)cc(C2=C[NH2+]CCC2)n1 ZINC001243950252 971038005 /nfs/dbraw/zinc/03/80/05/971038005.db2.gz UTGVETQQCQHTDQ-UHFFFAOYSA-N 1 2 200.245 1.381 20 30 BDEDLO C#CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C(=O)OC ZINC001257078697 971091870 /nfs/dbraw/zinc/09/18/70/971091870.db2.gz QPRWFWYMXZJVTD-NHCYSSNCSA-N 1 2 239.315 1.097 20 30 BDEDLO CC1(C#N)C[NH+](C2CCC3(COC3)CC2)C1 ZINC001257908023 971537524 /nfs/dbraw/zinc/53/75/24/971537524.db2.gz VYKQPPRXNZDBIB-UHFFFAOYSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CCc1cc[nH+]c(NCCCS)c1 ZINC001159869508 972159796 /nfs/dbraw/zinc/15/97/96/972159796.db2.gz HPOGQLOVZYHPRT-UHFFFAOYSA-N 1 2 207.302 1.879 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)nn1 ZINC000396723427 957201624 /nfs/dbraw/zinc/20/16/24/957201624.db2.gz XFAUVNNWGQVUFV-JTQLQIEISA-N 1 2 204.277 1.567 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001038139820 958894050 /nfs/dbraw/zinc/89/40/50/958894050.db2.gz DWTYCGUOXBMIKV-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001038139820 958894066 /nfs/dbraw/zinc/89/40/66/958894066.db2.gz DWTYCGUOXBMIKV-NSHDSACASA-N 1 2 249.314 1.282 20 30 BDEDLO C#CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001143908714 972391657 /nfs/dbraw/zinc/39/16/57/972391657.db2.gz UFNGNTJPYZGTLO-CQSZACIVSA-N 1 2 240.306 1.061 20 30 BDEDLO C#CC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001143908714 972391664 /nfs/dbraw/zinc/39/16/64/972391664.db2.gz UFNGNTJPYZGTLO-CQSZACIVSA-N 1 2 240.306 1.061 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](CC)OC ZINC001267189284 959107081 /nfs/dbraw/zinc/10/70/81/959107081.db2.gz YAKHLOMKWMISAG-JTQLQIEISA-N 1 2 248.754 1.212 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](CC)OC ZINC001267189284 959107088 /nfs/dbraw/zinc/10/70/88/959107088.db2.gz YAKHLOMKWMISAG-JTQLQIEISA-N 1 2 248.754 1.212 20 30 BDEDLO Cc1nccnc1C[NH+]1CC(CC#N)C1 ZINC001140935015 960717178 /nfs/dbraw/zinc/71/71/78/960717178.db2.gz JEHOXMGJPXSNSY-UHFFFAOYSA-N 1 2 202.261 1.131 20 30 BDEDLO N#CC1CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141042630 960828677 /nfs/dbraw/zinc/82/86/77/960828677.db2.gz ZLCYFBWGNOVEPV-UHFFFAOYSA-N 1 2 212.256 1.290 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2cocn2)CC1 ZINC001141129284 960875271 /nfs/dbraw/zinc/87/52/71/960875271.db2.gz DTIWJFSZPVWAJN-JTQLQIEISA-N 1 2 205.261 1.800 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2cocn2)CC1 ZINC001141129284 960875285 /nfs/dbraw/zinc/87/52/85/960875285.db2.gz DTIWJFSZPVWAJN-JTQLQIEISA-N 1 2 205.261 1.800 20 30 BDEDLO COC[C@@](C)(O)CC/[NH+]=C\c1ccccc1O ZINC000840706839 961185637 /nfs/dbraw/zinc/18/56/37/961185637.db2.gz LEWQBIQOSDACSR-GFAPJHNFSA-N 1 2 237.299 1.599 20 30 BDEDLO C#CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000692917818 961354834 /nfs/dbraw/zinc/35/48/34/961354834.db2.gz MVTKOTIENLZDTR-UHFFFAOYSA-N 1 2 244.294 1.091 20 30 BDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccc(C#N)cc1)C2 ZINC001269743937 962778239 /nfs/dbraw/zinc/77/82/39/962778239.db2.gz QYJYBXBAWBOQQE-UHFFFAOYSA-N 1 2 241.294 1.088 20 30 BDEDLO C[N@H+]1CCC12CN(C(=O)c1ccc(C#N)cc1)C2 ZINC001269743937 962778247 /nfs/dbraw/zinc/77/82/47/962778247.db2.gz QYJYBXBAWBOQQE-UHFFFAOYSA-N 1 2 241.294 1.088 20 30 BDEDLO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001155195038 963020188 /nfs/dbraw/zinc/02/01/88/963020188.db2.gz YTXIBAYIOJGQBX-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001155195038 963020197 /nfs/dbraw/zinc/02/01/97/963020197.db2.gz YTXIBAYIOJGQBX-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cnc(NCc2cc[nH+]c(N)c2)c(C#N)c1 ZINC001156755716 963455425 /nfs/dbraw/zinc/45/54/25/963455425.db2.gz JJXUNMUIVCGJIL-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC3CC(C3)C2)c1 ZINC001156892534 963482602 /nfs/dbraw/zinc/48/26/02/963482602.db2.gz JLJPVCNDPVQLEL-UHFFFAOYSA-N 1 2 213.284 1.994 20 30 BDEDLO N#CCc1cc[nH+]c(NC2(CO)CCCC2)c1 ZINC001157008338 963512228 /nfs/dbraw/zinc/51/22/28/963512228.db2.gz HMGVJGXOOKDRCC-UHFFFAOYSA-N 1 2 231.299 1.865 20 30 BDEDLO Cc1cc(NC[C@H]2COCC[N@H+]2C)ncc1C#N ZINC001158699922 963904249 /nfs/dbraw/zinc/90/42/49/963904249.db2.gz BFNLHMNJPIYJOX-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)ncc1C#N ZINC001158699922 963904254 /nfs/dbraw/zinc/90/42/54/963904254.db2.gz BFNLHMNJPIYJOX-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO C[C@@H]1COCC[C@H]1Nc1cc(CC#N)cc[nH+]1 ZINC001159716137 964159523 /nfs/dbraw/zinc/15/95/23/964159523.db2.gz LWCURWWFJBWBHF-ZYHUDNBSSA-N 1 2 231.299 1.985 20 30 BDEDLO Cc1c(F)cc[nH+]c1N[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001160174303 964263893 /nfs/dbraw/zinc/26/38/93/964263893.db2.gz ANDLZWWVQAASEO-RCOVLWMOSA-N 1 2 239.250 1.177 20 30 BDEDLO C=C(C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001142515668 964354844 /nfs/dbraw/zinc/35/48/44/964354844.db2.gz WXZSFNPSRZOLDL-UHFFFAOYSA-N 1 2 239.344 1.644 20 30 BDEDLO Cn1ncc(Nc2cccc3[nH+]c[nH]c32)c1C#N ZINC001213029024 964505286 /nfs/dbraw/zinc/50/52/86/964505286.db2.gz DXZWTPWVBYJLIE-UHFFFAOYSA-N 1 2 238.254 1.912 20 30 BDEDLO C#CCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000697803182 964524648 /nfs/dbraw/zinc/52/46/48/964524648.db2.gz BLNWKAYYWSPIGP-UHFFFAOYSA-N 1 2 209.318 1.692 20 30 BDEDLO C#CCCC[N@H+](C)Cc1nnc(C)s1 ZINC000697803182 964524655 /nfs/dbraw/zinc/52/46/55/964524655.db2.gz BLNWKAYYWSPIGP-UHFFFAOYSA-N 1 2 209.318 1.692 20 30 BDEDLO N#CCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001163182720 965286424 /nfs/dbraw/zinc/28/64/24/965286424.db2.gz ULFKGDIKHWKVLG-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO COC(=O)c1cc2[nH+]c[nH]c2c(NCC#N)c1 ZINC001163183689 965289336 /nfs/dbraw/zinc/28/93/36/965289336.db2.gz VNRAIXIXAOIJTL-UHFFFAOYSA-N 1 2 230.227 1.285 20 30 BDEDLO N#CCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001163187418 965291948 /nfs/dbraw/zinc/29/19/48/965291948.db2.gz HCFHPACINRSGFN-UHFFFAOYSA-N 1 2 216.219 1.947 20 30 BDEDLO C#CCNc1cc[nH+]c2[nH]cc(CC(=O)OC)c21 ZINC001163372872 965373317 /nfs/dbraw/zinc/37/33/17/965373317.db2.gz XLWVULRKPICUKM-UHFFFAOYSA-N 1 2 243.266 1.324 20 30 BDEDLO C=C(C)CNc1ccc(N2CCOCC2)c[nH+]1 ZINC001163374259 965379091 /nfs/dbraw/zinc/37/90/91/965379091.db2.gz NIKWTCWEEZGNPV-UHFFFAOYSA-N 1 2 233.315 1.906 20 30 BDEDLO O=C1C=C(Nc2c[nH+]c3c(c2)CCCN3)CCC1 ZINC001163468319 965413084 /nfs/dbraw/zinc/41/30/84/965413084.db2.gz OMHMQNMHWLZQNR-UHFFFAOYSA-N 1 2 243.310 1.776 20 30 BDEDLO CC(=O)C=C(C)Nc1ccc2c([nH+]1)NCCO2 ZINC001163741879 965561690 /nfs/dbraw/zinc/56/16/90/965561690.db2.gz LMDMONWUPWNUIE-FPLPWBNLSA-N 1 2 233.271 1.791 20 30 BDEDLO C=CCC[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC001122463145 965854312 /nfs/dbraw/zinc/85/43/12/965854312.db2.gz XFUIVLNPUKYJCM-ZJUUUORDSA-N 1 2 246.301 1.926 20 30 BDEDLO CSc1cnc(N2CC[NH2+]C[C@H]2C#N)c(C)c1 ZINC001164652387 965937982 /nfs/dbraw/zinc/93/79/82/965937982.db2.gz QXTAAAJWOMRXSI-SNVBAGLBSA-N 1 2 248.355 1.414 20 30 BDEDLO CN(c1cc(CC#N)cc[nH+]1)[C@H]1CC[C@H](O)CC1 ZINC001165225147 965988256 /nfs/dbraw/zinc/98/82/56/965988256.db2.gz RYSWNRHEVOASTO-JOCQHMNTSA-N 1 2 245.326 1.887 20 30 BDEDLO C[C@@]1(O)CCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001165227705 965992137 /nfs/dbraw/zinc/99/21/37/965992137.db2.gz DKZWFBQDZCLZBL-GFCCVEGCSA-N 1 2 217.272 1.109 20 30 BDEDLO CNc1ccc(Nc2ncc(C#N)nc2C)c[nH+]1 ZINC001203449453 966648611 /nfs/dbraw/zinc/64/86/11/966648611.db2.gz GLZMMEQYQNGIIB-UHFFFAOYSA-N 1 2 240.270 1.837 20 30 BDEDLO CNc1ccc(Nc2cncc(C#N)n2)c[nH+]1 ZINC001203448931 966649371 /nfs/dbraw/zinc/64/93/71/966649371.db2.gz RKBSPCZHEHTPEN-UHFFFAOYSA-N 1 2 226.243 1.529 20 30 BDEDLO C=CCCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001124631213 966670389 /nfs/dbraw/zinc/67/03/89/966670389.db2.gz FEKWANHHHNKTJZ-UHFFFAOYSA-N 1 2 237.303 1.155 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(Cl)n1C ZINC001203523399 966672194 /nfs/dbraw/zinc/67/21/94/966672194.db2.gz ZAEJRYSAPDXYIG-ZETCQYMHSA-N 1 2 212.684 1.465 20 30 BDEDLO C#CC[N@@H+](Cc1nc(CO)cs1)CC1CC1 ZINC001204640841 967110731 /nfs/dbraw/zinc/11/07/31/967110731.db2.gz WAZQTYIXMDVBGZ-UHFFFAOYSA-N 1 2 236.340 1.481 20 30 BDEDLO C#CC[N@H+](Cc1nc(CO)cs1)CC1CC1 ZINC001204640841 967110741 /nfs/dbraw/zinc/11/07/41/967110741.db2.gz WAZQTYIXMDVBGZ-UHFFFAOYSA-N 1 2 236.340 1.481 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(OC)cc1F ZINC001204929267 967240634 /nfs/dbraw/zinc/24/06/34/967240634.db2.gz ZUQHUQPSNNGNRL-UHFFFAOYSA-N 1 2 207.248 1.899 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(OC)cc1F ZINC001204929267 967240644 /nfs/dbraw/zinc/24/06/44/967240644.db2.gz ZUQHUQPSNNGNRL-UHFFFAOYSA-N 1 2 207.248 1.899 20 30 BDEDLO N#Cc1cnoc1Nc1ccn2cc[nH+]c2c1 ZINC001204959647 967263040 /nfs/dbraw/zinc/26/30/40/967263040.db2.gz RYHAAMCMKMTKLL-UHFFFAOYSA-N 1 2 225.211 1.938 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC001205192867 967420921 /nfs/dbraw/zinc/42/09/21/967420921.db2.gz IUJUCQBOWWLZOV-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO Cc1ccc(C#N)c(CC[NH+]2CCOCC2)c1 ZINC001250279888 967611884 /nfs/dbraw/zinc/61/18/84/967611884.db2.gz IRGKLPMFYALTLI-UHFFFAOYSA-N 1 2 230.311 1.741 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nn(C)cc1Cl)C(C)C ZINC001205714015 967801014 /nfs/dbraw/zinc/80/10/14/967801014.db2.gz PDMLNGDGVODSGB-JTQLQIEISA-N 1 2 225.723 1.821 20 30 BDEDLO CC[C@H](CO)Nc1cc(CC#N)cc[nH+]1 ZINC001163045977 967982839 /nfs/dbraw/zinc/98/28/39/967982839.db2.gz WCYRIKRRSMYXIC-SNVBAGLBSA-N 1 2 205.261 1.330 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2ccncc2F)nc1 ZINC001206121661 968073719 /nfs/dbraw/zinc/07/37/19/968073719.db2.gz MEVFTTRWYXBNPE-UHFFFAOYSA-N 1 2 242.257 1.777 20 30 BDEDLO CC(C)(O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252356688 968636163 /nfs/dbraw/zinc/63/61/63/968636163.db2.gz KBPPKAIJBGNPJA-UHFFFAOYSA-N 1 2 246.310 1.392 20 30 BDEDLO C=CCOC[C@H](O)CNc1c[nH+]ccc1OC ZINC001252454992 968712359 /nfs/dbraw/zinc/71/23/59/968712359.db2.gz WKHBVHVMPZLWGN-SNVBAGLBSA-N 1 2 238.287 1.066 20 30 BDEDLO C=CCOC[C@H](O)C[N@@H+](C)Cc1nccs1 ZINC001252469924 968724860 /nfs/dbraw/zinc/72/48/60/968724860.db2.gz FCRGZPATEVJOIR-SNVBAGLBSA-N 1 2 242.344 1.138 20 30 BDEDLO C=CCOC[C@H](O)C[N@H+](C)Cc1nccs1 ZINC001252469924 968724865 /nfs/dbraw/zinc/72/48/65/968724865.db2.gz FCRGZPATEVJOIR-SNVBAGLBSA-N 1 2 242.344 1.138 20 30 BDEDLO C=C[C@@](C)(O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252564616 968813166 /nfs/dbraw/zinc/81/31/66/968813166.db2.gz IQZJWMOTELYPEM-CYBMUJFWSA-N 1 2 231.299 1.922 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001252579113 968833367 /nfs/dbraw/zinc/83/33/67/968833367.db2.gz UJNGDBWZFWDRJZ-CMPLNLGQSA-N 1 2 229.320 1.245 20 30 BDEDLO C#CCCCNc1[nH+]ccc(C)c1C(N)=O ZINC001155014126 968851396 /nfs/dbraw/zinc/85/13/96/968851396.db2.gz MJYIMMIDRJSLCZ-UHFFFAOYSA-N 1 2 217.272 1.314 20 30 BDEDLO COC(=O)[C@H]1CC[C@H](C[NH+]2CC(C#N)C2)CC1 ZINC001208624461 969176564 /nfs/dbraw/zinc/17/65/64/969176564.db2.gz LPYDOVQBZIQUQO-UMSPYCQHSA-N 1 2 236.315 1.421 20 30 BDEDLO C#Cc1cc(Nc2ccc3[nH]nc(N)c3c2)cc[nH+]1 ZINC001209853604 969659876 /nfs/dbraw/zinc/65/98/76/969659876.db2.gz LSOCJTVWMOISPF-UHFFFAOYSA-N 1 2 249.277 1.687 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001254659177 969769054 /nfs/dbraw/zinc/76/90/54/969769054.db2.gz LOMOWOUTAIADKN-ADEWGFFLSA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001254659177 969769058 /nfs/dbraw/zinc/76/90/58/969769058.db2.gz LOMOWOUTAIADKN-ADEWGFFLSA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001254659177 969769064 /nfs/dbraw/zinc/76/90/64/969769064.db2.gz LOMOWOUTAIADKN-ADEWGFFLSA-N 1 2 248.351 1.953 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001254659177 969769070 /nfs/dbraw/zinc/76/90/70/969769070.db2.gz LOMOWOUTAIADKN-ADEWGFFLSA-N 1 2 248.351 1.953 20 30 BDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CC[C@H](C#N)C1 ZINC001254661509 969772012 /nfs/dbraw/zinc/77/20/12/969772012.db2.gz UTOHNYLUZOAENS-WDEREUQCSA-N 1 2 216.288 1.601 20 30 BDEDLO CCN1C[C@@H](C)[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254673362 969781566 /nfs/dbraw/zinc/78/15/66/969781566.db2.gz JJZZVTJLOLHUON-IJLUTSLNSA-N 1 2 235.331 1.231 20 30 BDEDLO CCN1C[C@@H](C)[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC001254673362 969781569 /nfs/dbraw/zinc/78/15/69/969781569.db2.gz JJZZVTJLOLHUON-IJLUTSLNSA-N 1 2 235.331 1.231 20 30 BDEDLO COCCOC1C[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254680191 969783922 /nfs/dbraw/zinc/78/39/22/969783922.db2.gz URNXQZWCLOCCQX-QWRGUYRKSA-N 1 2 224.304 1.026 20 30 BDEDLO Cc1[nH+]cc(Nc2oncc2C#N)cc1N ZINC001210287564 969854105 /nfs/dbraw/zinc/85/41/05/969854105.db2.gz XDYRBZHIAZUEET-UHFFFAOYSA-N 1 2 215.216 1.576 20 30 BDEDLO C=CC[C@H](Nc1cc[nH+]c(CC)c1)C(=O)OC ZINC001169844832 969870145 /nfs/dbraw/zinc/87/01/45/969870145.db2.gz NNXJNLRURBQRMR-LBPRGKRZSA-N 1 2 234.299 1.596 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001255152891 969960945 /nfs/dbraw/zinc/96/09/45/969960945.db2.gz ICTJMBJPLXIJBJ-DGCLKSJQSA-N 1 2 243.310 1.832 20 30 BDEDLO C#CCCCCC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112775087 970175067 /nfs/dbraw/zinc/17/50/67/970175067.db2.gz FOSRPUGUAWPRKP-UHFFFAOYSA-N 1 2 246.354 1.348 20 30 BDEDLO CC(C)CCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001170077321 970178206 /nfs/dbraw/zinc/17/82/06/970178206.db2.gz IVZLTPJSRQWMGF-CHWSQXEVSA-N 1 2 223.364 1.999 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001113468151 970440632 /nfs/dbraw/zinc/44/06/32/970440632.db2.gz DNKINTXJPABBPR-OLZOCXBDSA-N 1 2 238.375 1.999 20 30 BDEDLO C#C[C@H](CC(C)C)OCc1c[nH+]cn1C ZINC001222599388 972600315 /nfs/dbraw/zinc/60/03/15/972600315.db2.gz AIBRGAJXXHWRJH-GFCCVEGCSA-N 1 2 206.289 1.985 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)nc1 ZINC001144166770 972657690 /nfs/dbraw/zinc/65/76/90/972657690.db2.gz VLUPWJTYRXPLQH-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@]23CCOC3)nc1 ZINC001144166770 972657699 /nfs/dbraw/zinc/65/76/99/972657699.db2.gz VLUPWJTYRXPLQH-CYBMUJFWSA-N 1 2 229.283 1.318 20 30 BDEDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144169826 972668112 /nfs/dbraw/zinc/66/81/12/972668112.db2.gz YPKCWIJTBJAWAD-ZDUSSCGKSA-N 1 2 229.283 1.507 20 30 BDEDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC001144169826 972668117 /nfs/dbraw/zinc/66/81/17/972668117.db2.gz YPKCWIJTBJAWAD-ZDUSSCGKSA-N 1 2 229.283 1.507 20 30 BDEDLO C=C(C(=O)NCCc1[nH]cc(C)[nH+]1)C(F)(F)F ZINC001144213640 972681326 /nfs/dbraw/zinc/68/13/26/972681326.db2.gz XWYHLPOFRXSIIR-UHFFFAOYSA-N 1 2 247.220 1.495 20 30 BDEDLO N#CC1(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001327964696 972833313 /nfs/dbraw/zinc/83/33/13/972833313.db2.gz LXJWHFWJWDTJFT-SNVBAGLBSA-N 1 2 244.298 1.008 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328328290 972959502 /nfs/dbraw/zinc/95/95/02/972959502.db2.gz LMWIKJNKJIEVFQ-PWSUYJOCSA-N 1 2 219.288 1.362 20 30 BDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001171228419 973010185 /nfs/dbraw/zinc/01/01/85/973010185.db2.gz GJNCBFDIMLTZAV-DFBGVHRSSA-N 1 2 242.322 1.962 20 30 BDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@H]2C[C@H]21 ZINC001171228419 973010199 /nfs/dbraw/zinc/01/01/99/973010199.db2.gz GJNCBFDIMLTZAV-DFBGVHRSSA-N 1 2 242.322 1.962 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001276909178 973214842 /nfs/dbraw/zinc/21/48/42/973214842.db2.gz OIKNMSJKUCVEAV-ZDUSSCGKSA-N 1 2 248.370 1.636 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001276909178 973214858 /nfs/dbraw/zinc/21/48/58/973214858.db2.gz OIKNMSJKUCVEAV-ZDUSSCGKSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC(C#C)OCCCCC(=[NH2+])OCC ZINC001224965237 974103939 /nfs/dbraw/zinc/10/39/39/974103939.db2.gz HGUXNQVFKCALLU-UHFFFAOYSA-N 1 2 207.273 1.822 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OCC ZINC001331728952 974806088 /nfs/dbraw/zinc/80/60/88/974806088.db2.gz QNEPAVJGSKEVKS-SRVKXCTJSA-N 1 2 241.331 1.651 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173737222 975533728 /nfs/dbraw/zinc/53/37/28/975533728.db2.gz IYGKSCXVJNZXCK-QJPTWQEYSA-N 1 2 248.334 1.439 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001333466898 975800468 /nfs/dbraw/zinc/80/04/68/975800468.db2.gz NXLAVEZASVFQLD-UHFFFAOYSA-N 1 2 249.270 1.071 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001333466898 975800469 /nfs/dbraw/zinc/80/04/69/975800469.db2.gz NXLAVEZASVFQLD-UHFFFAOYSA-N 1 2 249.270 1.071 20 30 BDEDLO CCc1cc(N2CC(CC#N)C2)nc(CC)[nH+]1 ZINC001333824349 976108306 /nfs/dbraw/zinc/10/83/06/976108306.db2.gz XFBWXJUZOVZREN-UHFFFAOYSA-N 1 2 230.315 1.951 20 30 BDEDLO CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H](C)C#N ZINC001334611159 976564422 /nfs/dbraw/zinc/56/44/22/976564422.db2.gz OUVQJWAFLABSLZ-UWVGGRQHSA-N 1 2 220.276 1.205 20 30 BDEDLO CC[NH+]1CC(Oc2cccc(C#N)n2)C1 ZINC001230039615 977103323 /nfs/dbraw/zinc/10/33/23/977103323.db2.gz YOZDTDMZUVUKTD-UHFFFAOYSA-N 1 2 203.245 1.036 20 30 BDEDLO C[N@H+](CCC#N)Cc1c[nH]c2cnccc12 ZINC001231513836 977618299 /nfs/dbraw/zinc/61/82/99/977618299.db2.gz BSDHGSYLJDGLMA-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cnccc12 ZINC001231513836 977618301 /nfs/dbraw/zinc/61/83/01/977618301.db2.gz BSDHGSYLJDGLMA-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO COc1cc(C#N)ccc1C[NH+]1CC(C)(CO)C1 ZINC001231616570 977649257 /nfs/dbraw/zinc/64/92/57/977649257.db2.gz HEZIEDUSXBHIGU-UHFFFAOYSA-N 1 2 246.310 1.381 20 30 BDEDLO C=C1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC001336502490 977726182 /nfs/dbraw/zinc/72/61/82/977726182.db2.gz AGAQRCIBFSLCRL-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO C=C1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC001336502490 977726204 /nfs/dbraw/zinc/72/62/04/977726204.db2.gz AGAQRCIBFSLCRL-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO C=CCn1cnc2c1ncnc2Nc1[nH]cc[nH+]1 ZINC001176081817 977877326 /nfs/dbraw/zinc/87/73/26/977877326.db2.gz GBGAUULKNZITNS-UHFFFAOYSA-N 1 2 241.258 1.479 20 30 BDEDLO N#Cc1nc(Cl)c(Nc2[nH]cc[nH+]2)nc1C#N ZINC001176082110 977879450 /nfs/dbraw/zinc/87/94/50/977879450.db2.gz UGVPDKBUIBUMSU-UHFFFAOYSA-N 1 2 245.633 1.340 20 30 BDEDLO Cc1[nH+]c(N)ccc1CN(CCC#N)CCC#N ZINC001232341851 978022890 /nfs/dbraw/zinc/02/28/90/978022890.db2.gz FICYNMTXVRYBNW-UHFFFAOYSA-N 1 2 243.314 1.602 20 30 BDEDLO C#Cc1cc(Nc2cnn(CC=C)c2)cc[nH+]1 ZINC001176542103 978103990 /nfs/dbraw/zinc/10/39/90/978103990.db2.gz NPXGGKLEZXIAAH-UHFFFAOYSA-N 1 2 224.267 1.611 20 30 BDEDLO Cc1[nH]c(CN2CC[C@](C)(C#N)C2)c[nH+]1 ZINC001232466340 978119574 /nfs/dbraw/zinc/11/95/74/978119574.db2.gz XSTVCHDNJGHTLI-LLVKDONJSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1[nH]cc(CN2CC[C@](C)(C#N)C2)[nH+]1 ZINC001232466340 978119584 /nfs/dbraw/zinc/11/95/84/978119584.db2.gz XSTVCHDNJGHTLI-LLVKDONJSA-N 1 2 204.277 1.454 20 30 BDEDLO O=C(C#Cc1cccs1)NCCn1cc[nH+]c1 ZINC001595684503 978129380 /nfs/dbraw/zinc/12/93/80/978129380.db2.gz KZJVRGKSDBFPHR-UHFFFAOYSA-N 1 2 245.307 1.113 20 30 BDEDLO C#Cc1cc(Nc2cnc3nonc3c2)cc[nH+]1 ZINC001176687407 978148279 /nfs/dbraw/zinc/14/82/79/978148279.db2.gz ALGQYJLHKBUWEU-UHFFFAOYSA-N 1 2 237.222 1.160 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548029 978172149 /nfs/dbraw/zinc/17/21/49/978172149.db2.gz VTJUVNXYQWHZQS-VIFPVBQESA-N 1 2 227.271 1.255 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC001232548029 978172160 /nfs/dbraw/zinc/17/21/60/978172160.db2.gz VTJUVNXYQWHZQS-VIFPVBQESA-N 1 2 227.271 1.255 20 30 BDEDLO C#CC1(O)C[NH+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC001176792627 978178039 /nfs/dbraw/zinc/17/80/39/978178039.db2.gz FMYHIFSIOLQAOT-QWHCGFSZSA-N 1 2 221.344 1.883 20 30 BDEDLO C#CCCC1(CCNC(=O)Cc2c[nH]c[nH+]2)N=N1 ZINC001176836784 978206927 /nfs/dbraw/zinc/20/69/27/978206927.db2.gz WDIFLFFZYPOFLR-UHFFFAOYSA-N 1 2 245.286 1.034 20 30 BDEDLO Cc1cc(F)cc(N2CC[C@@](O)(CC#N)C2)[nH+]1 ZINC001337203994 978213837 /nfs/dbraw/zinc/21/38/37/978213837.db2.gz WNMNUUZRQSMGDU-LBPRGKRZSA-N 1 2 235.262 1.384 20 30 BDEDLO CC1C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232673583 978236301 /nfs/dbraw/zinc/23/63/01/978236301.db2.gz JNTIPJBGFQTWBS-UHFFFAOYSA-N 1 2 202.257 1.716 20 30 BDEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232677510 978242723 /nfs/dbraw/zinc/24/27/23/978242723.db2.gz FBLNKYPJAJNAEV-GWCFXTLKSA-N 1 2 246.310 1.609 20 30 BDEDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232677510 978242730 /nfs/dbraw/zinc/24/27/30/978242730.db2.gz FBLNKYPJAJNAEV-GWCFXTLKSA-N 1 2 246.310 1.609 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCOC1 ZINC001232679888 978247523 /nfs/dbraw/zinc/24/75/23/978247523.db2.gz VDEZMNGHTHIHEB-GFCCVEGCSA-N 1 2 232.283 1.485 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCOC1 ZINC001232679888 978247530 /nfs/dbraw/zinc/24/75/30/978247530.db2.gz VDEZMNGHTHIHEB-GFCCVEGCSA-N 1 2 232.283 1.485 20 30 BDEDLO C=C(C)CCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001337329518 978287939 /nfs/dbraw/zinc/28/79/39/978287939.db2.gz RTVWNJKXXUWXTE-GFCCVEGCSA-N 1 2 248.330 1.239 20 30 BDEDLO CO[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233042993 978417610 /nfs/dbraw/zinc/41/76/10/978417610.db2.gz LHCHCEMMNPPPBG-LLVKDONJSA-N 1 2 219.288 1.497 20 30 BDEDLO CO[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233042993 978417620 /nfs/dbraw/zinc/41/76/20/978417620.db2.gz LHCHCEMMNPPPBG-LLVKDONJSA-N 1 2 219.288 1.497 20 30 BDEDLO C[C@H]1C[N@H+](Cc2[nH]ccc2C#N)CCCO1 ZINC001233045545 978426067 /nfs/dbraw/zinc/42/60/67/978426067.db2.gz FFUUSHOUHABYSC-JTQLQIEISA-N 1 2 219.288 1.497 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCCO1 ZINC001233045545 978426069 /nfs/dbraw/zinc/42/60/69/978426069.db2.gz FFUUSHOUHABYSC-JTQLQIEISA-N 1 2 219.288 1.497 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001233047694 978436896 /nfs/dbraw/zinc/43/68/96/978436896.db2.gz JBMFTVAYDUHPJT-CMPLNLGQSA-N 1 2 217.272 1.107 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001233047694 978436898 /nfs/dbraw/zinc/43/68/98/978436898.db2.gz JBMFTVAYDUHPJT-CMPLNLGQSA-N 1 2 217.272 1.107 20 30 BDEDLO C[C@H](C(=O)Nc1cccc(C#N)n1)n1cc[nH+]c1 ZINC001177921427 978474144 /nfs/dbraw/zinc/47/41/44/978474144.db2.gz DSNYCDFZAOALDX-SECBINFHSA-N 1 2 241.254 1.349 20 30 BDEDLO C#Cc1ccc(O[C@@H](C)C[NH+]2CCOCC2)nc1 ZINC001233966677 978743250 /nfs/dbraw/zinc/74/32/50/978743250.db2.gz AUJYQDAOJLKIHC-LBPRGKRZSA-N 1 2 246.310 1.162 20 30 BDEDLO Cc1cc(C[NH+]2CCN(CC#N)CC2)cc(C)n1 ZINC001179869398 978786709 /nfs/dbraw/zinc/78/67/09/978786709.db2.gz SSCXQAXWSMURQR-UHFFFAOYSA-N 1 2 244.342 1.340 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001339171678 978810853 /nfs/dbraw/zinc/81/08/53/978810853.db2.gz CJQDXSFZZKYFSP-UWVGGRQHSA-N 1 2 207.277 1.525 20 30 BDEDLO C=C(C)CN(CC)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181257139 979038271 /nfs/dbraw/zinc/03/82/71/979038271.db2.gz RRUOQZRORFLYRB-UHFFFAOYSA-N 1 2 233.315 1.631 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC001342033116 979629862 /nfs/dbraw/zinc/62/98/62/979629862.db2.gz DREBVJXTNTYZOQ-GHMZBOCLSA-N 1 2 236.319 1.153 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC001342033116 979629879 /nfs/dbraw/zinc/62/98/79/979629879.db2.gz DREBVJXTNTYZOQ-GHMZBOCLSA-N 1 2 236.319 1.153 20 30 BDEDLO C#CC[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001342707666 979874346 /nfs/dbraw/zinc/87/43/46/979874346.db2.gz AYSDHRYYDGWYSZ-NSHDSACASA-N 1 2 246.310 1.717 20 30 BDEDLO Nc1ccc(CCC(=O)NCCCS)c[nH+]1 ZINC001183939095 979905636 /nfs/dbraw/zinc/90/56/36/979905636.db2.gz HNJVVIPXASIZNR-UHFFFAOYSA-N 1 2 239.344 1.033 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC001184115333 979953464 /nfs/dbraw/zinc/95/34/64/979953464.db2.gz DCQBMQTVBWKAML-UHFFFAOYSA-N 1 2 235.283 1.694 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC001184115333 979953474 /nfs/dbraw/zinc/95/34/74/979953474.db2.gz DCQBMQTVBWKAML-UHFFFAOYSA-N 1 2 235.283 1.694 20 30 BDEDLO CCc1n[nH]cc1C[NH+]1CC(CC#N)C1 ZINC001237648849 979998728 /nfs/dbraw/zinc/99/87/28/979998728.db2.gz FKGUJTFLJIZWAS-UHFFFAOYSA-N 1 2 204.277 1.318 20 30 BDEDLO CC(C)(O)C1C[NH+](C[C@H](C#N)CCC#N)C1 ZINC001343144862 980020443 /nfs/dbraw/zinc/02/04/43/980020443.db2.gz YUFQDCDWWBOQHD-JTQLQIEISA-N 1 2 221.304 1.133 20 30 BDEDLO N#Cc1cncc(NCCNc2cccc[nH+]2)n1 ZINC001184634278 980112800 /nfs/dbraw/zinc/11/28/00/980112800.db2.gz KQMZACLATCMNFC-UHFFFAOYSA-N 1 2 240.270 1.267 20 30 BDEDLO CC1(C#N)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001344391114 980383619 /nfs/dbraw/zinc/38/36/19/980383619.db2.gz CUAYUKCDHYHACW-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO CC1(C#N)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001344391114 980383623 /nfs/dbraw/zinc/38/36/23/980383623.db2.gz CUAYUKCDHYHACW-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO CCn1c[nH+]cc1COC(=O)[C@@H](C)CC#N ZINC001344970661 980510349 /nfs/dbraw/zinc/51/03/49/980510349.db2.gz CVURMIUZOZNEGJ-VIFPVBQESA-N 1 2 221.260 1.496 20 30 BDEDLO C=C(CC(C)C)C(=O)NCCCn1cc[nH+]c1 ZINC001345490681 980620021 /nfs/dbraw/zinc/62/00/21/980620021.db2.gz FNXSYPNSANTGOA-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](C)C2)cc1 ZINC001188728149 980700847 /nfs/dbraw/zinc/70/08/47/980700847.db2.gz YQZZRGNYVAXTHI-UHFFFAOYSA-N 1 2 242.322 1.444 20 30 BDEDLO CCc1cn(Cc2nc(C#N)cs2)c[nH+]1 ZINC001190104264 980847303 /nfs/dbraw/zinc/84/73/03/980847303.db2.gz RPRPMLULLKUIDY-UHFFFAOYSA-N 1 2 218.285 1.822 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001347585153 981121562 /nfs/dbraw/zinc/12/15/62/981121562.db2.gz UIXBQDDBRLIPML-LLVKDONJSA-N 1 2 247.342 1.517 20 30 BDEDLO CC(C)(C)O[NH+]=C1CCCc2nc(N)ncc21 ZINC001347634538 981134215 /nfs/dbraw/zinc/13/42/15/981134215.db2.gz QFUBSVVFOZUEET-UHFFFAOYSA-N 1 2 234.303 1.914 20 30 BDEDLO CO[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1F ZINC001203757158 981159300 /nfs/dbraw/zinc/15/93/00/981159300.db2.gz IUIXRMKJKOHZSD-STQMWFEESA-N 1 2 234.274 1.727 20 30 BDEDLO CO[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1F ZINC001203757158 981159303 /nfs/dbraw/zinc/15/93/03/981159303.db2.gz IUIXRMKJKOHZSD-STQMWFEESA-N 1 2 234.274 1.727 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)CCc1[nH+]ccn1C ZINC001348010593 981245155 /nfs/dbraw/zinc/24/51/55/981245155.db2.gz BLAMAJSRJKHBMI-NSHDSACASA-N 1 2 233.315 1.530 20 30 BDEDLO C[NH+](C)Cc1nnc(CCCCC#N)o1 ZINC001349985763 981837240 /nfs/dbraw/zinc/83/72/40/981837240.db2.gz KBFLTHSFXIVAQM-UHFFFAOYSA-N 1 2 208.265 1.368 20 30 BDEDLO C=CCOCC[NH2+]C(CC)(CC)C(=O)OCC ZINC001194700552 981846819 /nfs/dbraw/zinc/84/68/19/981846819.db2.gz COOWZVUWIUNWFX-UHFFFAOYSA-N 1 2 243.347 1.901 20 30 BDEDLO CCn1c[nH+]cc1COC(=O)CC1(C#N)CC1 ZINC001350334768 981930828 /nfs/dbraw/zinc/93/08/28/981930828.db2.gz PQDRDOXFUWLDCA-UHFFFAOYSA-N 1 2 233.271 1.640 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001197304478 982550842 /nfs/dbraw/zinc/55/08/42/982550842.db2.gz NUGHQTUFYFDFSB-NSHDSACASA-N 1 2 221.304 1.236 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1ncccn1 ZINC001197304478 982550848 /nfs/dbraw/zinc/55/08/48/982550848.db2.gz NUGHQTUFYFDFSB-NSHDSACASA-N 1 2 221.304 1.236 20 30 BDEDLO C=CCNC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001200279429 982795762 /nfs/dbraw/zinc/79/57/62/982795762.db2.gz KSIRHGSDJIFCLE-UHFFFAOYSA-N 1 2 233.340 1.465 20 30 BDEDLO N#Cc1cc(N)ccc1Nc1ccc(N)[nH+]c1 ZINC001201292381 983170264 /nfs/dbraw/zinc/17/02/64/983170264.db2.gz WVKJGQIZHHZNPU-UHFFFAOYSA-N 1 2 225.255 1.861 20 30 BDEDLO C#Cc1cc(Nc2ccc(N)[nH+]c2)ccn1 ZINC001201272139 983171306 /nfs/dbraw/zinc/17/13/06/983171306.db2.gz KAEONSYAJCXVOY-UHFFFAOYSA-N 1 2 210.240 1.206 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001588730829 984002000 /nfs/dbraw/zinc/00/20/00/984002000.db2.gz XFQHFMXZSCPPKR-LBPRGKRZSA-N 1 2 249.314 1.549 20 30 BDEDLO Cn1c[nH+]cc1-c1cnc(F)c(C#N)c1 ZINC001243067360 984482724 /nfs/dbraw/zinc/48/27/24/984482724.db2.gz KEEBNRYAJHJOOW-UHFFFAOYSA-N 1 2 202.192 1.493 20 30 BDEDLO C#CC1(F)CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001458557775 985331802 /nfs/dbraw/zinc/33/18/02/985331802.db2.gz WFYBNRAIGLAGNL-UHFFFAOYSA-N 1 2 245.301 1.825 20 30 BDEDLO N#Cc1cc(C2=C[NH2+]CCC2)nc(C2CC2)n1 ZINC001243948850 985627282 /nfs/dbraw/zinc/62/72/82/985627282.db2.gz DIJISFBHYXCLBM-UHFFFAOYSA-N 1 2 226.283 1.950 20 30 BDEDLO C#CCSCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001460688583 985875727 /nfs/dbraw/zinc/87/57/27/985875727.db2.gz LHXRWSSEPDXAJR-UHFFFAOYSA-N 1 2 245.307 1.639 20 30 BDEDLO Cn1cc(C[NH2+]CCC#N)c(C2CCOCC2)n1 ZINC001461809916 986171841 /nfs/dbraw/zinc/17/18/41/986171841.db2.gz CQWSXWIOQJEVQL-UHFFFAOYSA-N 1 2 248.330 1.317 20 30 BDEDLO C=C[C@@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001253590998 986194375 /nfs/dbraw/zinc/19/43/75/986194375.db2.gz QBXXIZQOULVSCX-SNVBAGLBSA-N 1 2 217.272 1.532 20 30 BDEDLO C#Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC001465205195 986702637 /nfs/dbraw/zinc/70/26/37/986702637.db2.gz PPTDBVPJFFSXJZ-UHFFFAOYSA-N 1 2 239.278 1.364 20 30 BDEDLO C#CC[NH+]1CCN([C@H](C)CC(F)(F)F)CC1 ZINC001255656707 987049433 /nfs/dbraw/zinc/04/94/33/987049433.db2.gz ZUSGTXHBTPFJGC-SNVBAGLBSA-N 1 2 234.265 1.578 20 30 BDEDLO C#CC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001472505014 987231554 /nfs/dbraw/zinc/23/15/54/987231554.db2.gz OAZNRFHYUQSSQZ-UHFFFAOYSA-N 1 2 225.251 1.752 20 30 BDEDLO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000694586986 987325250 /nfs/dbraw/zinc/32/52/50/987325250.db2.gz RILAFRPVUUUMPO-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO CC(C)(C)OC(=O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000694586986 987325262 /nfs/dbraw/zinc/32/52/62/987325262.db2.gz RILAFRPVUUUMPO-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO C#CC[N@@H+](Cc1cscn1)CC1CC1 ZINC001116366627 987535763 /nfs/dbraw/zinc/53/57/63/987535763.db2.gz QBQBBGAIWYKDFH-UHFFFAOYSA-N 1 2 206.314 1.988 20 30 BDEDLO C#CC[N@H+](Cc1cscn1)CC1CC1 ZINC001116366627 987535774 /nfs/dbraw/zinc/53/57/74/987535774.db2.gz QBQBBGAIWYKDFH-UHFFFAOYSA-N 1 2 206.314 1.988 20 30 BDEDLO COCCCn1nccc1C[NH2+][C@H](C)CC#N ZINC001474250647 987667849 /nfs/dbraw/zinc/66/78/49/987667849.db2.gz HIGHGGFXXABHEN-LLVKDONJSA-N 1 2 236.319 1.311 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC001474733527 987811260 /nfs/dbraw/zinc/81/12/60/987811260.db2.gz DSZAMVCRELIZMR-UHFFFAOYSA-N 1 2 217.247 1.538 20 30 BDEDLO C#CC[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC001474733527 987811265 /nfs/dbraw/zinc/81/12/65/987811265.db2.gz DSZAMVCRELIZMR-UHFFFAOYSA-N 1 2 217.247 1.538 20 30 BDEDLO N#CCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001117691806 987865416 /nfs/dbraw/zinc/86/54/16/987865416.db2.gz OTHFUYVTACIKQG-SNVBAGLBSA-N 1 2 232.287 1.008 20 30 BDEDLO C=CCN(CC=C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001478784874 987887829 /nfs/dbraw/zinc/88/78/29/987887829.db2.gz VQNILCGYAONAEG-UHFFFAOYSA-N 1 2 248.330 1.346 20 30 BDEDLO CC[C@H]1C[C@H](C=[NH+]n2nnc(C)c2C)CCO1 ZINC001119299304 988900960 /nfs/dbraw/zinc/90/09/60/988900960.db2.gz QFHZDJLRCZQNRJ-NEPJUHHUSA-N 1 2 236.319 1.934 20 30 BDEDLO C=CCCNC(=S)Nc1c[nH+]c(C)n1C ZINC001247603028 988946926 /nfs/dbraw/zinc/94/69/26/988946926.db2.gz ZNSCUKBFNVURRS-UHFFFAOYSA-N 1 2 224.333 1.591 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OCC ZINC001324759278 988970488 /nfs/dbraw/zinc/97/04/88/988970488.db2.gz PLNDYJYNGSPRMK-NWDGAFQWSA-N 1 2 239.315 1.777 20 30 BDEDLO C=CCO[C@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001325272000 989137270 /nfs/dbraw/zinc/13/72/70/989137270.db2.gz TWOQPZAUAFPSBK-NEPJUHHUSA-N 1 2 249.314 1.248 20 30 BDEDLO C=CC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001119921793 989483700 /nfs/dbraw/zinc/48/37/00/989483700.db2.gz CRGIJEZSHMNHCM-UHFFFAOYSA-N 1 2 207.277 1.423 20 30 BDEDLO C=CC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001119921793 989483705 /nfs/dbraw/zinc/48/37/05/989483705.db2.gz CRGIJEZSHMNHCM-UHFFFAOYSA-N 1 2 207.277 1.423 20 30 BDEDLO C=CC[NH+](CC=C)Cc1c(C)cnn1COC ZINC001119933248 989495554 /nfs/dbraw/zinc/49/55/54/989495554.db2.gz CDXZMHCMVVTRSA-UHFFFAOYSA-N 1 2 235.331 1.969 20 30 BDEDLO CC[N@H+](Cc1csc(C#N)c1)[C@@H]1CCNC1=O ZINC001119967089 989519852 /nfs/dbraw/zinc/51/98/52/989519852.db2.gz HOTIOLHPZYWRAV-LLVKDONJSA-N 1 2 249.339 1.330 20 30 BDEDLO CC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCNC1=O ZINC001119967089 989519873 /nfs/dbraw/zinc/51/98/73/989519873.db2.gz HOTIOLHPZYWRAV-LLVKDONJSA-N 1 2 249.339 1.330 20 30 BDEDLO C=CC[C@@H]([NH2+]C1CC(SC)C1)C(=O)OCC ZINC001120040637 989575846 /nfs/dbraw/zinc/57/58/46/989575846.db2.gz KBISDEZIBWMUHC-VQXHTEKXSA-N 1 2 243.372 1.978 20 30 BDEDLO C#CCCCC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001520769845 989605432 /nfs/dbraw/zinc/60/54/32/989605432.db2.gz PINLBCKDXDXREF-UHFFFAOYSA-N 1 2 249.314 1.156 20 30 BDEDLO C=C(C[NH+](C)C)C(=O)N=[S@](C)(=O)C(C)(C)C ZINC001120694617 989834759 /nfs/dbraw/zinc/83/47/59/989834759.db2.gz VKGFRUDPSGVHNB-MRXNPFEDSA-N 1 2 246.376 1.527 20 30 BDEDLO C=CCCC(=O)OCc1c[nH+]cn1CC ZINC001527012218 990197994 /nfs/dbraw/zinc/19/79/94/990197994.db2.gz QLKPWGXOSVKZAI-UHFFFAOYSA-N 1 2 208.261 1.912 20 30 BDEDLO C=C(CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001556904477 990861476 /nfs/dbraw/zinc/86/14/76/990861476.db2.gz KWFYPXCEZUSWIG-UHFFFAOYSA-N 1 2 241.294 1.782 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cccc3nccnc23)C1 ZINC001138306107 990910674 /nfs/dbraw/zinc/91/06/74/990910674.db2.gz FHYQZQNKWIJPQF-LLVKDONJSA-N 1 2 238.294 1.975 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc3nccnc23)C1 ZINC001138306107 990910683 /nfs/dbraw/zinc/91/06/83/990910683.db2.gz FHYQZQNKWIJPQF-LLVKDONJSA-N 1 2 238.294 1.975 20 30 BDEDLO CC(C)c1[nH]cc(CNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001558560564 990966959 /nfs/dbraw/zinc/96/69/59/990966959.db2.gz HYWSLMSDJGFHDC-QMMMGPOBSA-N 1 2 220.276 1.309 20 30 BDEDLO CC(C)c1[nH]c(CNC(=O)[C@@H](C)C#N)c[nH+]1 ZINC001558560564 990966965 /nfs/dbraw/zinc/96/69/65/990966965.db2.gz HYWSLMSDJGFHDC-QMMMGPOBSA-N 1 2 220.276 1.309 20 30 BDEDLO C#Cc1cccc(C[NH2+]Cc2ncnn2C)c1 ZINC001308435058 990994841 /nfs/dbraw/zinc/99/48/41/990994841.db2.gz GAXYOFQJSJYGPH-UHFFFAOYSA-N 1 2 226.283 1.086 20 30 BDEDLO CN(C)c1cccc(CN(C)CC#N)[nH+]1 ZINC001559522737 991134628 /nfs/dbraw/zinc/13/46/28/991134628.db2.gz UJBFHQNGHFVBGZ-UHFFFAOYSA-N 1 2 204.277 1.103 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC001139224928 991200584 /nfs/dbraw/zinc/20/05/84/991200584.db2.gz WRIYGKAGDVKEQV-JTQLQIEISA-N 1 2 228.255 1.568 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC001139224928 991200601 /nfs/dbraw/zinc/20/06/01/991200601.db2.gz WRIYGKAGDVKEQV-JTQLQIEISA-N 1 2 228.255 1.568 20 30 BDEDLO N#CCC1C[NH+](Cc2cnc(N)s2)C1 ZINC001139225385 991204408 /nfs/dbraw/zinc/20/44/08/991204408.db2.gz XUNAGHJRNLRSEK-UHFFFAOYSA-N 1 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CCn1nncc1C[NH+]1CCC(C)(C#N)CC1 ZINC001560706949 991561830 /nfs/dbraw/zinc/56/18/30/991561830.db2.gz WSOFJJZIUQLIDO-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccncc2O)C1 ZINC001140276841 991588215 /nfs/dbraw/zinc/58/82/15/991588215.db2.gz MSYSNNOULPLBGZ-SECBINFHSA-N 1 2 203.245 1.133 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccncc2O)C1 ZINC001140276841 991588227 /nfs/dbraw/zinc/58/82/27/991588227.db2.gz MSYSNNOULPLBGZ-SECBINFHSA-N 1 2 203.245 1.133 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CCc2ccncc2)C1 ZINC001318043445 991614194 /nfs/dbraw/zinc/61/41/94/991614194.db2.gz VMOPCWFQSLPRBG-UHFFFAOYSA-N 1 2 245.326 1.001 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001560906392 991644822 /nfs/dbraw/zinc/64/48/22/991644822.db2.gz JAJPBCBDLGOCAC-SNVBAGLBSA-N 1 2 236.340 1.481 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(CO)cs2)C1 ZINC001560906392 991644827 /nfs/dbraw/zinc/64/48/27/991644827.db2.gz JAJPBCBDLGOCAC-SNVBAGLBSA-N 1 2 236.340 1.481 20 30 BDEDLO Cc1cc(CNC(=O)[C@@H](C)C#N)cc(C)[nH+]1 ZINC001299549195 991900070 /nfs/dbraw/zinc/90/00/70/991900070.db2.gz YWVAUACGMZEBOE-QMMMGPOBSA-N 1 2 217.272 1.474 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC001320156957 992118904 /nfs/dbraw/zinc/11/89/04/992118904.db2.gz RCULEILGPYSXJF-LBPRGKRZSA-N 1 2 241.331 1.463 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC001320156957 992118922 /nfs/dbraw/zinc/11/89/22/992118922.db2.gz RCULEILGPYSXJF-LBPRGKRZSA-N 1 2 241.331 1.463 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001568385135 992164670 /nfs/dbraw/zinc/16/46/70/992164670.db2.gz ZRKLLFDLKAMRIY-LLVKDONJSA-N 1 2 233.315 1.828 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001261275928 992243067 /nfs/dbraw/zinc/24/30/67/992243067.db2.gz LONRQYWAWVVOSQ-AWEZNQCLSA-N 1 2 246.354 1.510 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CCCCOC)C1 ZINC001569484703 992395893 /nfs/dbraw/zinc/39/58/93/992395893.db2.gz CPXFLTMVOCRYHJ-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CCC(C)C)C1 ZINC001569483466 992397554 /nfs/dbraw/zinc/39/75/54/992397554.db2.gz PELHRSHAQAYYMW-UHFFFAOYSA-N 1 2 224.348 1.751 20 30 BDEDLO CC#CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569822896 992425140 /nfs/dbraw/zinc/42/51/40/992425140.db2.gz REVBFEUCNBOJTO-UHFFFAOYSA-N 1 2 227.267 1.658 20 30 BDEDLO C#CCn1cc(C[NH2+]C[C@H](C#N)CCC#N)cn1 ZINC001262572942 992927779 /nfs/dbraw/zinc/92/77/79/992927779.db2.gz IORCMTVJXCLYGL-LBPRGKRZSA-N 1 2 241.298 1.049 20 30 BDEDLO C=CCOCC[NH2+][C@H](CC)c1noc(C)n1 ZINC000382170282 993441162 /nfs/dbraw/zinc/44/11/62/993441162.db2.gz WFVHEEMELCEHGC-SNVBAGLBSA-N 1 2 225.292 1.621 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)OCC ZINC000382532301 993461316 /nfs/dbraw/zinc/46/13/16/993461316.db2.gz IWKCVHGBPGIKIH-SNVBAGLBSA-N 1 2 209.289 1.283 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)OCC ZINC000382532301 993461324 /nfs/dbraw/zinc/46/13/24/993461324.db2.gz IWKCVHGBPGIKIH-SNVBAGLBSA-N 1 2 209.289 1.283 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)OCC ZINC000382532298 993461555 /nfs/dbraw/zinc/46/15/55/993461555.db2.gz IWKCVHGBPGIKIH-JTQLQIEISA-N 1 2 209.289 1.283 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)OCC ZINC000382532298 993461558 /nfs/dbraw/zinc/46/15/58/993461558.db2.gz IWKCVHGBPGIKIH-JTQLQIEISA-N 1 2 209.289 1.283 20 30 BDEDLO C=CCN(C)C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001263752529 993489846 /nfs/dbraw/zinc/48/98/46/993489846.db2.gz KHBPHASHZIQUAK-UHFFFAOYSA-N 1 2 248.330 1.841 20 30 BDEDLO CC(C)c1[nH]cc(CNC(=O)CCCC#N)[nH+]1 ZINC001304107254 995190025 /nfs/dbraw/zinc/19/00/25/995190025.db2.gz HKCMKKDPBQNUSN-UHFFFAOYSA-N 1 2 234.303 1.843 20 30 BDEDLO CC(C)c1[nH]c(CNC(=O)CCCC#N)c[nH+]1 ZINC001304107254 995190033 /nfs/dbraw/zinc/19/00/33/995190033.db2.gz HKCMKKDPBQNUSN-UHFFFAOYSA-N 1 2 234.303 1.843 20 30 BDEDLO CC(C)C[C@H](C(=O)N[C@@H](C)CC#N)n1cc[nH+]c1 ZINC000602086462 349434257 /nfs/dbraw/zinc/43/42/57/349434257.db2.gz RLNNEUJILZCIFR-NWDGAFQWSA-N 1 2 248.330 1.889 20 30 BDEDLO CC[C@@H](C#N)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602088282 349435064 /nfs/dbraw/zinc/43/50/64/349435064.db2.gz KKJGTUUPSOOKFH-NSHDSACASA-N 1 2 242.282 1.675 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602089405 349435614 /nfs/dbraw/zinc/43/56/14/349435614.db2.gz FLVYKUFGMPLDIX-HBNTYKKESA-N 1 2 246.314 1.568 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602089405 349435618 /nfs/dbraw/zinc/43/56/18/349435618.db2.gz FLVYKUFGMPLDIX-HBNTYKKESA-N 1 2 246.314 1.568 20 30 BDEDLO CCc1c[nH]c(CC(=O)NC2(C#N)CCCC2)[nH+]1 ZINC000602092375 349447147 /nfs/dbraw/zinc/44/71/47/349447147.db2.gz GKLNKUKSOGQRTO-UHFFFAOYSA-N 1 2 246.314 1.467 20 30 BDEDLO Cc1cocc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602335208 349509462 /nfs/dbraw/zinc/50/94/62/349509462.db2.gz VKWZHSDPUWRCGP-GFCCVEGCSA-N 1 2 235.287 1.162 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCC12CC2 ZINC000602336730 349509514 /nfs/dbraw/zinc/50/95/14/349509514.db2.gz ZRPOXQHCCJIMSY-AAEUAGOBSA-N 1 2 249.358 1.527 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(C)c2)nn1 ZINC000424291630 398180695 /nfs/dbraw/zinc/18/06/95/398180695.db2.gz DWZGYKAMEYTBMG-SNVBAGLBSA-N 1 2 246.318 1.048 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(CC(C)C)C(C)C ZINC000339758123 398165259 /nfs/dbraw/zinc/16/52/59/398165259.db2.gz UISIEHJLLHULSP-UHFFFAOYSA-N 1 2 238.375 1.835 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(CC(C)C)C(C)C ZINC000339758123 398165263 /nfs/dbraw/zinc/16/52/63/398165263.db2.gz UISIEHJLLHULSP-UHFFFAOYSA-N 1 2 238.375 1.835 20 30 BDEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccn(C)n1 ZINC000576339564 365569047 /nfs/dbraw/zinc/56/90/47/365569047.db2.gz CCUJQNTXXKZGBM-QWRGUYRKSA-N 1 2 231.303 1.514 20 30 BDEDLO CC#CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615407016 365567826 /nfs/dbraw/zinc/56/78/26/365567826.db2.gz NZSRNCDGXOUZDX-GHMZBOCLSA-N 1 2 231.299 1.005 20 30 BDEDLO C=CCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280841846 538938174 /nfs/dbraw/zinc/93/81/74/538938174.db2.gz UFECYEBDIKUEAV-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C=CCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280841846 538938175 /nfs/dbraw/zinc/93/81/75/538938175.db2.gz UFECYEBDIKUEAV-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO C[C@H](C#N)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000602423117 349530455 /nfs/dbraw/zinc/53/04/55/349530455.db2.gz HUSVXYVMBUXWNH-SNVBAGLBSA-N 1 2 220.276 1.034 20 30 BDEDLO C=CCC(CC=C)C(=O)NCc1c[nH+]cn1C ZINC000291559077 538948148 /nfs/dbraw/zinc/94/81/48/538948148.db2.gz ZRQWUDPOZKFCIB-UHFFFAOYSA-N 1 2 233.315 1.805 20 30 BDEDLO Cc1[nH]c(CN(C)C[C@@H](C)C#N)[nH+]c1C ZINC000600113382 342671622 /nfs/dbraw/zinc/67/16/22/342671622.db2.gz SCVOCYIIVMIFDJ-QMMMGPOBSA-N 1 2 206.293 1.618 20 30 BDEDLO C=CCN(CCC#N)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600162609 342693644 /nfs/dbraw/zinc/69/36/44/342693644.db2.gz SHPNQGCLLNAQDB-UHFFFAOYSA-N 1 2 218.304 1.928 20 30 BDEDLO CC(C)n1cc(C[NH2+]C[C@H](C)C#N)cn1 ZINC000183833815 346859077 /nfs/dbraw/zinc/85/90/77/346859077.db2.gz ROPUIFGDWYPPHF-SNVBAGLBSA-N 1 2 206.293 1.713 20 30 BDEDLO CN(C(=O)C[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000081044013 342733898 /nfs/dbraw/zinc/73/38/98/342733898.db2.gz QOAXZQAFYZQDML-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO CN(C(=O)C[N@@H+](CCC#N)CC1CC1)C1CC1 ZINC000081044013 342733899 /nfs/dbraw/zinc/73/38/99/342733899.db2.gz QOAXZQAFYZQDML-UHFFFAOYSA-N 1 2 235.331 1.233 20 30 BDEDLO CCCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042518240 342778087 /nfs/dbraw/zinc/77/80/87/342778087.db2.gz BKOKDSRQKHRKAR-MNOVXSKESA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042518240 342778088 /nfs/dbraw/zinc/77/80/88/342778088.db2.gz BKOKDSRQKHRKAR-MNOVXSKESA-N 1 2 223.320 1.137 20 30 BDEDLO C=CC[C@@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000186718328 538974658 /nfs/dbraw/zinc/97/46/58/538974658.db2.gz QAVCAXAIMKOWBD-SCZZXKLOSA-N 1 2 209.293 1.306 20 30 BDEDLO C=CCCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000620858563 398301543 /nfs/dbraw/zinc/30/15/43/398301543.db2.gz JSRXLNRWZCXTMZ-NSHDSACASA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000620858563 398301545 /nfs/dbraw/zinc/30/15/45/398301545.db2.gz JSRXLNRWZCXTMZ-NSHDSACASA-N 1 2 240.347 1.178 20 30 BDEDLO CC1(C)C[N@H+](CC2(C#N)CCC2)C[C@H](CO)O1 ZINC000331899001 398313378 /nfs/dbraw/zinc/31/33/78/398313378.db2.gz FANKEQJSWWEGKR-LLVKDONJSA-N 1 2 238.331 1.152 20 30 BDEDLO CC1(C)C[N@@H+](CC2(C#N)CCC2)C[C@H](CO)O1 ZINC000331899001 398313382 /nfs/dbraw/zinc/31/33/82/398313382.db2.gz FANKEQJSWWEGKR-LLVKDONJSA-N 1 2 238.331 1.152 20 30 BDEDLO COC(=O)[C@@H](CC(F)F)[NH2+]C[C@@H](C)CCC#N ZINC000602630441 349647415 /nfs/dbraw/zinc/64/74/15/349647415.db2.gz ADVNUGLUDHCNDD-DTWKUNHWSA-N 1 2 248.273 1.713 20 30 BDEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(F)F ZINC000602655248 349661743 /nfs/dbraw/zinc/66/17/43/349661743.db2.gz NWQNGTODOHEQDQ-SECBINFHSA-N 1 2 232.274 1.940 20 30 BDEDLO CC[C@@H](C)[C@H](C[NH+]1CC(C)(C#N)C1)OC ZINC000602691675 349689258 /nfs/dbraw/zinc/68/92/58/349689258.db2.gz ZIBWXTHKPSCSQM-MNOVXSKESA-N 1 2 210.321 1.893 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H](C)C#N ZINC000492280259 529553381 /nfs/dbraw/zinc/55/33/81/529553381.db2.gz VSJLGYOWCZLXFQ-YEZKRMTDSA-N 1 2 232.287 1.192 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C#N)CCC1 ZINC000492495273 529558990 /nfs/dbraw/zinc/55/89/90/529558990.db2.gz VXNHLTKCNIGMFO-PLNGDYQASA-N 1 2 244.298 1.479 20 30 BDEDLO Cc1nc(C[N@@H+](C)C[C@H](C)CCC#N)no1 ZINC000602714963 349706426 /nfs/dbraw/zinc/70/64/26/349706426.db2.gz KUQBRAQQCURSHI-SECBINFHSA-N 1 2 222.292 1.750 20 30 BDEDLO Cc1nc(C[N@H+](C)C[C@H](C)CCC#N)no1 ZINC000602714963 349706427 /nfs/dbraw/zinc/70/64/27/349706427.db2.gz KUQBRAQQCURSHI-SECBINFHSA-N 1 2 222.292 1.750 20 30 BDEDLO C=C(CC)CNc1[nH+]cnc2c1cnn2C ZINC000313488088 259335739 /nfs/dbraw/zinc/33/57/39/259335739.db2.gz PDQRIGVGZNICAA-UHFFFAOYSA-N 1 2 217.276 1.741 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000602734994 349719624 /nfs/dbraw/zinc/71/96/24/349719624.db2.gz RMOKVIILMCATHY-WDEREUQCSA-N 1 2 227.304 1.263 20 30 BDEDLO Cc1cc(C)c(CN2CCOC[C@H]2C#N)c(C)[nH+]1 ZINC000602792865 349735650 /nfs/dbraw/zinc/73/56/50/349735650.db2.gz FRCMWJCEXILAME-CYBMUJFWSA-N 1 2 245.326 1.731 20 30 BDEDLO COC(=O)C[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602778922 349744744 /nfs/dbraw/zinc/74/47/44/349744744.db2.gz JAGZMQUZVFTWPM-UHFFFAOYSA-N 1 2 222.288 1.318 20 30 BDEDLO COC(=O)C[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602778922 349744746 /nfs/dbraw/zinc/74/47/46/349744746.db2.gz JAGZMQUZVFTWPM-UHFFFAOYSA-N 1 2 222.288 1.318 20 30 BDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602812692 349755929 /nfs/dbraw/zinc/75/59/29/349755929.db2.gz CAFDHJALCSKMTH-INIZCTEOSA-N 1 2 240.372 1.523 20 30 BDEDLO CC1(C)C[S@@](=O)CC[N@H+]1CC1(CC#N)CC1 ZINC000602812692 349755932 /nfs/dbraw/zinc/75/59/32/349755932.db2.gz CAFDHJALCSKMTH-INIZCTEOSA-N 1 2 240.372 1.523 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000602861209 349772381 /nfs/dbraw/zinc/77/23/81/349772381.db2.gz FQTJSOVJJPOTMK-WDEREUQCSA-N 1 2 223.320 1.137 20 30 BDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602860728 349772738 /nfs/dbraw/zinc/77/27/38/349772738.db2.gz DQZQUZJDNFOMMU-LLVKDONJSA-N 1 2 221.304 1.079 20 30 BDEDLO CC(C)CN(C(=O)C[NH2+][C@H](C)CC#N)C1CC1 ZINC000602861743 349773408 /nfs/dbraw/zinc/77/34/08/349773408.db2.gz IKCFMDYDDKOSKI-LLVKDONJSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCCCCC1 ZINC000602863280 349780933 /nfs/dbraw/zinc/78/09/33/349780933.db2.gz MJURCUMJQYGZSJ-LLVKDONJSA-N 1 2 223.320 1.281 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602860366 349771802 /nfs/dbraw/zinc/77/18/02/349771802.db2.gz CTIISHGZXKPFKH-ZJUUUORDSA-N 1 2 211.309 1.133 20 30 BDEDLO Cc1nc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)co1 ZINC000602850603 349785629 /nfs/dbraw/zinc/78/56/29/349785629.db2.gz RCFFDAYHLRBZLM-PHIMTYICSA-N 1 2 248.330 1.401 20 30 BDEDLO Cc1nc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)co1 ZINC000602850603 349785631 /nfs/dbraw/zinc/78/56/31/349785631.db2.gz RCFFDAYHLRBZLM-PHIMTYICSA-N 1 2 248.330 1.401 20 30 BDEDLO C[C@H]1C[NH+](Cc2ccon2)C[C@H](C)N1CC#N ZINC000602850594 349785840 /nfs/dbraw/zinc/78/58/40/349785840.db2.gz QWBXZOXKVBBQLV-QWRGUYRKSA-N 1 2 234.303 1.093 20 30 BDEDLO CC(C)N(C(=O)C[NH2+][C@H](C)CC#N)C(C)C ZINC000602864520 349797144 /nfs/dbraw/zinc/79/71/44/349797144.db2.gz RTCHGMPUGIJMQA-LLVKDONJSA-N 1 2 225.336 1.524 20 30 BDEDLO C=CCCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000640935640 362073261 /nfs/dbraw/zinc/07/32/61/362073261.db2.gz GODUAAVSEWNLPV-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=CCCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000640935640 362073268 /nfs/dbraw/zinc/07/32/68/362073268.db2.gz GODUAAVSEWNLPV-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CC#N ZINC000602865597 349797633 /nfs/dbraw/zinc/79/76/33/349797633.db2.gz WSXHMCFTNFMPFB-LLVKDONJSA-N 1 2 223.320 1.303 20 30 BDEDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602866943 349798555 /nfs/dbraw/zinc/79/85/55/349798555.db2.gz AHHCTWATTNRZED-JTQLQIEISA-N 1 2 247.298 1.525 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000602865695 349798240 /nfs/dbraw/zinc/79/82/40/349798240.db2.gz XNDKJRWKNINTNF-IJLUTSLNSA-N 1 2 237.347 1.383 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000042324429 136272987 /nfs/dbraw/zinc/27/29/87/136272987.db2.gz QFRFHGWXRHGWHV-AAEUAGOBSA-N 1 2 218.300 1.811 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000042324429 136272988 /nfs/dbraw/zinc/27/29/88/136272988.db2.gz QFRFHGWXRHGWHV-AAEUAGOBSA-N 1 2 218.300 1.811 20 30 BDEDLO C#CC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000393608869 259354227 /nfs/dbraw/zinc/35/42/27/259354227.db2.gz KUWVSEBJIZNLHD-LLVKDONJSA-N 1 2 205.261 1.226 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C#N)cs1 ZINC000335793142 344029237 /nfs/dbraw/zinc/02/92/37/344029237.db2.gz VRLFVQMIAUBIBO-UHFFFAOYSA-N 1 2 246.295 1.581 20 30 BDEDLO CC1(C#N)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000272640307 136282644 /nfs/dbraw/zinc/28/26/44/136282644.db2.gz XLUFRHPEYCDULR-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000272640307 136282645 /nfs/dbraw/zinc/28/26/45/136282645.db2.gz XLUFRHPEYCDULR-UHFFFAOYSA-N 1 2 204.277 1.535 20 30 BDEDLO COc1cc[nH+]c(CN(CCC#N)CCC#N)c1 ZINC000273216410 136283589 /nfs/dbraw/zinc/28/35/89/136283589.db2.gz UQBLNRZSRHTSAY-UHFFFAOYSA-N 1 2 244.298 1.720 20 30 BDEDLO N#CCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000291047153 136288005 /nfs/dbraw/zinc/28/80/05/136288005.db2.gz ZAISYFNATUWOFR-UHFFFAOYSA-N 1 2 242.282 1.644 20 30 BDEDLO N#CCC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293293334 136289470 /nfs/dbraw/zinc/28/94/70/136289470.db2.gz KHYGUJCHSQWWHT-UHFFFAOYSA-N 1 2 244.338 1.926 20 30 BDEDLO CCOC(=O)CC[N@H+](CC#N)CC1CC1 ZINC000064343796 343258823 /nfs/dbraw/zinc/25/88/23/343258823.db2.gz UQGNEEOWWTZZIA-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)CC[N@@H+](CC#N)CC1CC1 ZINC000064343796 343258825 /nfs/dbraw/zinc/25/88/25/343258825.db2.gz UQGNEEOWWTZZIA-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CC(C)N(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000609170741 343325615 /nfs/dbraw/zinc/32/56/15/343325615.db2.gz VJCMVOLOSNMZBQ-UHFFFAOYSA-N 1 2 248.330 1.814 20 30 BDEDLO CC[C@@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609170736 343325623 /nfs/dbraw/zinc/32/56/23/343325623.db2.gz VHRTXKLGVJHJFL-JTQLQIEISA-N 1 2 220.276 1.082 20 30 BDEDLO CC(C)(C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131064 343312609 /nfs/dbraw/zinc/31/26/09/343312609.db2.gz HFPJPKWFNKUKQD-NSHDSACASA-N 1 2 246.314 1.596 20 30 BDEDLO N#CCN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000038976821 343380725 /nfs/dbraw/zinc/38/07/25/343380725.db2.gz FRXSPKXKCRNMEQ-UHFFFAOYSA-N 1 2 233.290 1.467 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609257940 343395268 /nfs/dbraw/zinc/39/52/68/343395268.db2.gz HIDSYIGWYJLJPV-NSHDSACASA-N 1 2 204.277 1.434 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609257940 343395269 /nfs/dbraw/zinc/39/52/69/343395269.db2.gz HIDSYIGWYJLJPV-NSHDSACASA-N 1 2 204.277 1.434 20 30 BDEDLO N#CCCN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257940 343395271 /nfs/dbraw/zinc/39/52/71/343395271.db2.gz HIDSYIGWYJLJPV-NSHDSACASA-N 1 2 204.277 1.434 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609257836 343395626 /nfs/dbraw/zinc/39/56/26/343395626.db2.gz HIDSYIGWYJLJPV-LLVKDONJSA-N 1 2 204.277 1.434 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609257836 343395627 /nfs/dbraw/zinc/39/56/27/343395627.db2.gz HIDSYIGWYJLJPV-LLVKDONJSA-N 1 2 204.277 1.434 20 30 BDEDLO N#CCCN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257836 343395629 /nfs/dbraw/zinc/39/56/29/343395629.db2.gz HIDSYIGWYJLJPV-LLVKDONJSA-N 1 2 204.277 1.434 20 30 BDEDLO CO[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000602899044 349814889 /nfs/dbraw/zinc/81/48/89/349814889.db2.gz OSFUOLKVBZRYAE-CQSZACIVSA-N 1 2 246.310 1.557 20 30 BDEDLO CO[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000602899044 349814890 /nfs/dbraw/zinc/81/48/90/349814890.db2.gz OSFUOLKVBZRYAE-CQSZACIVSA-N 1 2 246.310 1.557 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1CO ZINC000165510663 343532438 /nfs/dbraw/zinc/53/24/38/343532438.db2.gz VCPBEKDVFPQSRV-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1CO ZINC000165510663 343532440 /nfs/dbraw/zinc/53/24/40/343532440.db2.gz VCPBEKDVFPQSRV-CQSZACIVSA-N 1 2 246.310 1.060 20 30 BDEDLO COc1cncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602981957 349832351 /nfs/dbraw/zinc/83/23/51/349832351.db2.gz LSYDVVSEXWODGS-ZYHUDNBSSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1cncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602981957 349832354 /nfs/dbraw/zinc/83/23/54/349832354.db2.gz LSYDVVSEXWODGS-ZYHUDNBSSA-N 1 2 246.314 1.609 20 30 BDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ncn1 ZINC000602981536 349831879 /nfs/dbraw/zinc/83/18/79/349831879.db2.gz FTHZCGDYBDWRBJ-DGCLKSJQSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)ncn1 ZINC000602981536 349831881 /nfs/dbraw/zinc/83/18/81/349831881.db2.gz FTHZCGDYBDWRBJ-DGCLKSJQSA-N 1 2 230.315 1.909 20 30 BDEDLO C[N@H+](CCCS(C)(=O)=O)[C@@H]1CCC[C@@H]1C#N ZINC000602975668 349840347 /nfs/dbraw/zinc/84/03/47/349840347.db2.gz FOFNXVHQPKZBTG-GHMZBOCLSA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCC[C@@H]1C#N ZINC000602975668 349840348 /nfs/dbraw/zinc/84/03/48/349840348.db2.gz FOFNXVHQPKZBTG-GHMZBOCLSA-N 1 2 244.360 1.045 20 30 BDEDLO CNc1ccc(Nc2ccc(C#N)c(C)n2)c[nH+]1 ZINC000488064462 529835447 /nfs/dbraw/zinc/83/54/47/529835447.db2.gz LSWMBWUKDGSLDH-UHFFFAOYSA-N 1 2 239.282 1.286 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCCCC1 ZINC000157064915 343907377 /nfs/dbraw/zinc/90/73/77/343907377.db2.gz RDTGENOPPGSQOW-WDEREUQCSA-N 1 2 223.320 1.279 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(CO)o1 ZINC000127640677 344200863 /nfs/dbraw/zinc/20/08/63/344200863.db2.gz OHQUJEXKNVGIPV-UHFFFAOYSA-N 1 2 208.261 1.507 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(CO)o1 ZINC000127640677 344200864 /nfs/dbraw/zinc/20/08/64/344200864.db2.gz OHQUJEXKNVGIPV-UHFFFAOYSA-N 1 2 208.261 1.507 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000381492246 344513030 /nfs/dbraw/zinc/51/30/30/344513030.db2.gz YLLGQBUEMDWXMN-RKDXNWHRSA-N 1 2 233.258 1.739 20 30 BDEDLO C=C[C@H]([NH2+]CC1(C2CC2)CCC1)C(=O)OC ZINC000381647638 344530407 /nfs/dbraw/zinc/53/04/07/344530407.db2.gz CBLOUXLMMNYFCG-NSHDSACASA-N 1 2 223.316 1.884 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370904268 344550218 /nfs/dbraw/zinc/55/02/18/344550218.db2.gz IGWOMLROJIGUQW-GFCCVEGCSA-N 1 2 235.331 1.377 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370904268 344550220 /nfs/dbraw/zinc/55/02/20/344550220.db2.gz IGWOMLROJIGUQW-GFCCVEGCSA-N 1 2 235.331 1.377 20 30 BDEDLO C=CCOCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000525723722 259377362 /nfs/dbraw/zinc/37/73/62/259377362.db2.gz BXLHAXKNPLUTGZ-UHFFFAOYSA-N 1 2 249.314 1.249 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000625953099 344591798 /nfs/dbraw/zinc/59/17/98/344591798.db2.gz JKWDEVXGGWSTCQ-QWHCGFSZSA-N 1 2 225.332 1.526 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000625953099 344591800 /nfs/dbraw/zinc/59/18/00/344591800.db2.gz JKWDEVXGGWSTCQ-QWHCGFSZSA-N 1 2 225.332 1.526 20 30 BDEDLO COc1ccc(C(N)=[NH+]OC[C@H](C)OC)cc1 ZINC000181585089 347064967 /nfs/dbraw/zinc/06/49/67/347064967.db2.gz HIUCJPYSWZKRQP-VIFPVBQESA-N 1 2 238.287 1.367 20 30 BDEDLO CO[C@H](C)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000181593124 347065486 /nfs/dbraw/zinc/06/54/86/347065486.db2.gz NJBCSDUNQWGCLS-SSDOTTSWSA-N 1 2 243.332 1.318 20 30 BDEDLO Cc1nc(C[N@H+](C)CCCCC#N)no1 ZINC000181704746 347070030 /nfs/dbraw/zinc/07/00/30/347070030.db2.gz JGNSKRIKUZLXTJ-UHFFFAOYSA-N 1 2 208.265 1.504 20 30 BDEDLO Cc1nc(C[N@@H+](C)CCCCC#N)no1 ZINC000181704746 347070032 /nfs/dbraw/zinc/07/00/32/347070032.db2.gz JGNSKRIKUZLXTJ-UHFFFAOYSA-N 1 2 208.265 1.504 20 30 BDEDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC#N)CC2 ZINC000152765777 344688575 /nfs/dbraw/zinc/68/85/75/344688575.db2.gz MFWKCOUNSJPRBB-VXGBXAGGSA-N 1 2 238.331 1.152 20 30 BDEDLO N#Cc1ccncc1NCCn1cc[nH+]c1 ZINC000135596560 344784302 /nfs/dbraw/zinc/78/43/02/344784302.db2.gz KYTCEMJICNDNRX-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO CCCc1nc(CO[NH+]=C(N)CCO)cs1 ZINC000121322511 344920458 /nfs/dbraw/zinc/92/04/58/344920458.db2.gz LEYNFNPOUWACDS-UHFFFAOYSA-N 1 2 243.332 1.267 20 30 BDEDLO CC1(C#N)CN(Cc2cc[nH+]c(N)c2)C1 ZINC000308872010 323081508 /nfs/dbraw/zinc/08/15/08/323081508.db2.gz ZJTVOHGGDKRYQN-UHFFFAOYSA-N 1 2 202.261 1.009 20 30 BDEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]cc2F)C1=O ZINC000641549641 362497929 /nfs/dbraw/zinc/49/79/29/362497929.db2.gz BJHVDQUVEXJJIM-GFCCVEGCSA-N 1 2 249.289 1.444 20 30 BDEDLO CC[C@@H](C)[C@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000425220617 192084794 /nfs/dbraw/zinc/08/47/94/192084794.db2.gz CPURFJZXIGZPFU-NOZJJQNGSA-N 1 2 233.315 1.503 20 30 BDEDLO Cc1cc(N[C@H](C)c2ccon2)c(C#N)c[nH+]1 ZINC000425241644 192085212 /nfs/dbraw/zinc/08/52/12/192085212.db2.gz AQZKRVNJVREREO-SECBINFHSA-N 1 2 228.255 1.845 20 30 BDEDLO N#CCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156135797 345127360 /nfs/dbraw/zinc/12/73/60/345127360.db2.gz PRYJEZFXTLHICY-ZDUSSCGKSA-N 1 2 243.310 1.463 20 30 BDEDLO N#CCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156135797 345127362 /nfs/dbraw/zinc/12/73/62/345127362.db2.gz PRYJEZFXTLHICY-ZDUSSCGKSA-N 1 2 243.310 1.463 20 30 BDEDLO CC#CC[NH+]1CCN(c2nccs2)CC1 ZINC000146059445 345235671 /nfs/dbraw/zinc/23/56/71/345235671.db2.gz VVVYMPWFJQWLGS-UHFFFAOYSA-N 1 2 221.329 1.288 20 30 BDEDLO Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)c(C#N)c[nH+]1 ZINC000425256463 192086456 /nfs/dbraw/zinc/08/64/56/192086456.db2.gz BNBUZGHJPKLCNC-TUAOUCFPSA-N 1 2 245.326 1.909 20 30 BDEDLO C#CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158560649 345349266 /nfs/dbraw/zinc/34/92/66/345349266.db2.gz UUGQUYCGFNLAMV-HNNXBMFYSA-N 1 2 227.307 1.794 20 30 BDEDLO C#CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158560649 345349269 /nfs/dbraw/zinc/34/92/69/345349269.db2.gz UUGQUYCGFNLAMV-HNNXBMFYSA-N 1 2 227.307 1.794 20 30 BDEDLO CC(C)(C#N)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000355880859 534993124 /nfs/dbraw/zinc/99/31/24/534993124.db2.gz NJCFJDVUVFWJJB-UHFFFAOYSA-N 1 2 220.276 1.008 20 30 BDEDLO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC#N)C1 ZINC000080898192 345453645 /nfs/dbraw/zinc/45/36/45/345453645.db2.gz FBEPNPKPYNMXFN-PWSUYJOCSA-N 1 2 210.321 1.677 20 30 BDEDLO CC#CC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083445090 345506394 /nfs/dbraw/zinc/50/63/94/345506394.db2.gz DPMQWDHONZHUJR-UHFFFAOYSA-N 1 2 204.277 1.007 20 30 BDEDLO COC(=O)[C@](C)([NH2+]CCCC#N)C1CC1 ZINC000081153353 345463618 /nfs/dbraw/zinc/46/36/18/345463618.db2.gz PBCMHLYISNIGMA-LLVKDONJSA-N 1 2 210.277 1.221 20 30 BDEDLO CC(C)(CCC#N)C[NH+]1CCS(=O)CC1 ZINC000119453103 534998604 /nfs/dbraw/zinc/99/86/04/534998604.db2.gz VQXUTNPNRSMNGR-UHFFFAOYSA-N 1 2 228.361 1.381 20 30 BDEDLO CC(C)N(CCC#N)C(=O)CCn1cc[nH+]c1 ZINC000310566112 259384190 /nfs/dbraw/zinc/38/41/90/259384190.db2.gz XNPDDJBGWLYRLS-UHFFFAOYSA-N 1 2 234.303 1.424 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000139671670 345800863 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346225294 /nfs/dbraw/zinc/22/52/94/346225294.db2.gz NPMUCRCSUVOYOR-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO COc1c(O)cccc1C[NH2+]C[C@@H](C)C#N ZINC000381580848 346383593 /nfs/dbraw/zinc/38/35/93/346383593.db2.gz FIYGWSLYPVMTIC-VIFPVBQESA-N 1 2 220.272 1.650 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000160368354 346449408 /nfs/dbraw/zinc/44/94/08/346449408.db2.gz ZZXQCRBVXUTYDH-GFCCVEGCSA-N 1 2 240.347 1.806 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000160368354 346449411 /nfs/dbraw/zinc/44/94/11/346449411.db2.gz ZZXQCRBVXUTYDH-GFCCVEGCSA-N 1 2 240.347 1.806 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(C#N)c1 ZINC000186826869 346539424 /nfs/dbraw/zinc/53/94/24/346539424.db2.gz GSIQDBXTGLKDPL-UHFFFAOYSA-N 1 2 240.266 1.473 20 30 BDEDLO N#CC1(C(=O)NCc2c[nH+]c[nH]2)CC2(CC2)C1 ZINC000601208356 346677656 /nfs/dbraw/zinc/67/76/56/346677656.db2.gz AEVSHBFDEIJLOP-UHFFFAOYSA-N 1 2 230.271 1.110 20 30 BDEDLO N#CC1(C(=O)NCc2c[nH]c[nH+]2)CC2(CC2)C1 ZINC000601208356 346677659 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347231908 /nfs/dbraw/zinc/23/19/08/347231908.db2.gz IGKJRNXLTQPSCK-UHFFFAOYSA-N 1 2 206.293 1.523 20 30 BDEDLO C=Cn1cc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000193880668 347407587 /nfs/dbraw/zinc/40/75/87/347407587.db2.gz KTOCXLGHUQBPIG-SNVBAGLBSA-N 1 2 204.277 1.718 20 30 BDEDLO C=Cn1cc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000193880668 347407589 /nfs/dbraw/zinc/40/75/89/347407589.db2.gz KTOCXLGHUQBPIG-SNVBAGLBSA-N 1 2 204.277 1.718 20 30 BDEDLO Cn1cc(C[N@H+](C)CC#Cc2ccccc2)cn1 ZINC000191874504 347362317 /nfs/dbraw/zinc/36/23/17/347362317.db2.gz HMFFXJZRUPEATH-UHFFFAOYSA-N 1 2 239.322 1.904 20 30 BDEDLO Cn1cc(C[N@@H+](C)CC#Cc2ccccc2)cn1 ZINC000191874504 347362319 /nfs/dbraw/zinc/36/23/19/347362319.db2.gz HMFFXJZRUPEATH-UHFFFAOYSA-N 1 2 239.322 1.904 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000590757677 347505805 /nfs/dbraw/zinc/50/58/05/347505805.db2.gz XYZILXUJWPABML-WDEREUQCSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000590757677 347505808 /nfs/dbraw/zinc/50/58/08/347505808.db2.gz XYZILXUJWPABML-WDEREUQCSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000590756874 347505945 /nfs/dbraw/zinc/50/59/45/347505945.db2.gz DGUQYYAVCBVQSE-UTUOFQBUSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000590756874 347505947 /nfs/dbraw/zinc/50/59/47/347505947.db2.gz DGUQYYAVCBVQSE-UTUOFQBUSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000590757343 347506042 /nfs/dbraw/zinc/50/60/42/347506042.db2.gz KFESOTLUJIOYEL-GMTAPVOTSA-N 1 2 227.304 1.071 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000590757343 347506044 /nfs/dbraw/zinc/50/60/44/347506044.db2.gz KFESOTLUJIOYEL-GMTAPVOTSA-N 1 2 227.304 1.071 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H](CC(C)C)OC ZINC000591374282 347649607 /nfs/dbraw/zinc/64/96/07/347649607.db2.gz JCDXSOMPLLOFNX-ZDUSSCGKSA-N 1 2 242.363 1.910 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H](CC(C)C)OC ZINC000591374282 347649610 /nfs/dbraw/zinc/64/96/10/347649610.db2.gz JCDXSOMPLLOFNX-ZDUSSCGKSA-N 1 2 242.363 1.910 20 30 BDEDLO C[C@@H](C#N)CN(C)c1nc(N)[nH+]c2c1CCCC2 ZINC000591896025 347713441 /nfs/dbraw/zinc/71/34/41/347713441.db2.gz FIVDRPHQSGKRGQ-VIFPVBQESA-N 1 2 245.330 1.364 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)CC[C@@H]1O ZINC000592116919 347735762 /nfs/dbraw/zinc/73/57/62/347735762.db2.gz NWVOTFDBDZOAJV-ZDUSSCGKSA-N 1 2 245.326 1.546 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1O ZINC000592116919 347735764 /nfs/dbraw/zinc/73/57/64/347735764.db2.gz NWVOTFDBDZOAJV-ZDUSSCGKSA-N 1 2 245.326 1.546 20 30 BDEDLO CCc1cnc(C[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150715 347741811 /nfs/dbraw/zinc/74/18/11/347741811.db2.gz HQEZMJJOOIDWHP-GFCCVEGCSA-N 1 2 235.287 1.087 20 30 BDEDLO CCc1cnc(C[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150715 347741814 /nfs/dbraw/zinc/74/18/14/347741814.db2.gz HQEZMJJOOIDWHP-GFCCVEGCSA-N 1 2 235.287 1.087 20 30 BDEDLO CC(C)[C@@H]([NH2+]CC#N)C1(CO)CC=CC1 ZINC000592177089 347759142 /nfs/dbraw/zinc/75/91/42/347759142.db2.gz AMXPBTDOGHJPDA-LLVKDONJSA-N 1 2 208.305 1.453 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000593452577 347898072 /nfs/dbraw/zinc/89/80/72/347898072.db2.gz WMOLHDBZMRMGLV-NEPJUHHUSA-N 1 2 246.314 1.596 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593557615 347911094 /nfs/dbraw/zinc/91/10/94/347911094.db2.gz TZIPWBNLRXTSQE-QWRGUYRKSA-N 1 2 246.314 1.286 20 30 BDEDLO COc1ncncc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654119 347922355 /nfs/dbraw/zinc/92/23/55/347922355.db2.gz QHWXHTMEOGGDME-UHFFFAOYSA-N 1 2 246.314 1.659 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594285022 348030223 /nfs/dbraw/zinc/03/02/23/348030223.db2.gz GMAQZADLLMCQSG-QWRGUYRKSA-N 1 2 248.330 1.643 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594285022 348030225 /nfs/dbraw/zinc/03/02/25/348030225.db2.gz GMAQZADLLMCQSG-QWRGUYRKSA-N 1 2 248.330 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GIHWXBTVNGZPMM-SECBINFHSA-N 1 2 245.248 1.899 20 30 BDEDLO Cn1cc[nH+]c1-c1cccc(C[C@H](C#N)CO)c1 ZINC000594629470 348084940 /nfs/dbraw/zinc/08/49/40/348084940.db2.gz OZGDENQICFOERT-GFCCVEGCSA-N 1 2 241.294 1.762 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000491325731 362850983 /nfs/dbraw/zinc/85/09/83/362850983.db2.gz GIHWXBTVNGZPMM-SECBINFHSA-N 1 2 245.248 1.899 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2(CC#N)CC2)nn1 ZINC000594651348 348089794 /nfs/dbraw/zinc/08/97/94/348089794.db2.gz ITQPYLGRDAIRDX-UHFFFAOYSA-N 1 2 243.314 1.085 20 30 BDEDLO CCn1nncc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594982067 348164858 /nfs/dbraw/zinc/16/48/58/348164858.db2.gz YFIRSRPGQTYVDA-UHFFFAOYSA-N 1 2 247.346 1.862 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C[C@@H](C#N)CCC#N ZINC000595401737 348239001 /nfs/dbraw/zinc/23/90/01/348239001.db2.gz OEEUGQFNIRBENN-SNVBAGLBSA-N 1 2 217.276 1.285 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595333052 348229066 /nfs/dbraw/zinc/22/90/66/348229066.db2.gz 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/nfs/dbraw/zinc/26/36/11/348263611.db2.gz KBXPNFXIIZKJNJ-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO CCN1CC[C@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000595500702 348263613 /nfs/dbraw/zinc/26/36/13/348263613.db2.gz KBXPNFXIIZKJNJ-JTQLQIEISA-N 1 2 223.320 1.089 20 30 BDEDLO C=CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)COC ZINC000595644245 348295818 /nfs/dbraw/zinc/29/58/18/348295818.db2.gz BGKGLMGYDARXBB-LLVKDONJSA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)COC ZINC000595644245 348295820 /nfs/dbraw/zinc/29/58/20/348295820.db2.gz BGKGLMGYDARXBB-LLVKDONJSA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@H+](Cc1ccncc1C#N)[C@H](C)COC ZINC000595638091 348303467 /nfs/dbraw/zinc/30/34/67/348303467.db2.gz CELJHBDATYSQQT-GFCCVEGCSA-N 1 2 245.326 1.976 20 30 BDEDLO C=CC[N@@H+](Cc1ccncc1C#N)[C@H](C)COC ZINC000595638091 348303469 /nfs/dbraw/zinc/30/34/69/348303469.db2.gz CELJHBDATYSQQT-GFCCVEGCSA-N 1 2 245.326 1.976 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595774232 348337462 /nfs/dbraw/zinc/33/74/62/348337462.db2.gz FRWCWZIQRYBZKX-PWSUYJOCSA-N 1 2 247.310 1.194 20 30 BDEDLO CCN(Cc1cc(OC)cc[nH+]1)[C@H](C)C#N ZINC000595814375 348342317 /nfs/dbraw/zinc/34/23/17/348342317.db2.gz UUSJBIMYPHIMHV-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835555 348369152 /nfs/dbraw/zinc/36/91/52/348369152.db2.gz SFPFAKFOEVYNCS-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835555 348369156 /nfs/dbraw/zinc/36/91/56/348369156.db2.gz SFPFAKFOEVYNCS-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836186 348370252 /nfs/dbraw/zinc/37/02/52/348370252.db2.gz XFJSRXLBFQHNKD-SMDDNHRTSA-N 1 2 249.358 1.669 20 30 BDEDLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836186 348370254 /nfs/dbraw/zinc/37/02/54/348370254.db2.gz XFJSRXLBFQHNKD-SMDDNHRTSA-N 1 2 249.358 1.669 20 30 BDEDLO CC(C)N1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595837441 348371236 /nfs/dbraw/zinc/37/12/36/348371236.db2.gz GUWKILBZIKCCFE-WCQYABFASA-N 1 2 235.331 1.231 20 30 BDEDLO CC(C)N1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595837441 348371237 /nfs/dbraw/zinc/37/12/37/348371237.db2.gz GUWKILBZIKCCFE-WCQYABFASA-N 1 2 235.331 1.231 20 30 BDEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595839263 348372707 /nfs/dbraw/zinc/37/27/07/348372707.db2.gz HLBYLEWBLPNAEW-NSHDSACASA-N 1 2 204.277 1.156 20 30 BDEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595839263 348372708 /nfs/dbraw/zinc/37/27/08/348372708.db2.gz HLBYLEWBLPNAEW-NSHDSACASA-N 1 2 204.277 1.156 20 30 BDEDLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841723 348377300 /nfs/dbraw/zinc/37/73/00/348377300.db2.gz WXYDKRNTWOIPOJ-AAEUAGOBSA-N 1 2 238.331 1.954 20 30 BDEDLO CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841723 348377301 /nfs/dbraw/zinc/37/73/01/348377301.db2.gz WXYDKRNTWOIPOJ-AAEUAGOBSA-N 1 2 238.331 1.954 20 30 BDEDLO COc1ccc(C[NH+]2CC(C)(O)C2)cc1C#N ZINC000089647945 362916463 /nfs/dbraw/zinc/91/64/63/362916463.db2.gz PRNXFUDJSDNRDO-UHFFFAOYSA-N 1 2 232.283 1.133 20 30 BDEDLO CCN(Cc1[nH+]ccc(OC)c1OC)[C@H](C)C#N ZINC000595820854 348362550 /nfs/dbraw/zinc/36/25/50/348362550.db2.gz PLFXKDSXZQADGL-SNVBAGLBSA-N 1 2 249.314 1.833 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C#N)ncn1 ZINC000596256620 348476760 /nfs/dbraw/zinc/47/67/60/348476760.db2.gz DZVAKPNVWCMUSV-VIFPVBQESA-N 1 2 242.286 1.738 20 30 BDEDLO Cc1ccc(C#N)nc1N1CCn2c[nH+]cc2C1 ZINC000596237655 348482491 /nfs/dbraw/zinc/48/24/91/348482491.db2.gz DWQCCVHTOYTZPY-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)nc[nH+]1 ZINC000596328985 348508994 /nfs/dbraw/zinc/50/89/94/348508994.db2.gz BPRZTAJISFGKJZ-NSHDSACASA-N 1 2 216.288 1.915 20 30 BDEDLO Cc1cc(N2CCC[C@H](CC#N)C2)nc[nH+]1 ZINC000596328984 348509002 /nfs/dbraw/zinc/50/90/02/348509002.db2.gz BPRZTAJISFGKJZ-LLVKDONJSA-N 1 2 216.288 1.915 20 30 BDEDLO Cc1cc(C#N)nc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000596543437 348584197 /nfs/dbraw/zinc/58/41/97/348584197.db2.gz VKIDANOPVHRJBB-SECBINFHSA-N 1 2 242.286 1.563 20 30 BDEDLO CCn1cc[nH+]c1CN1CC(CC#N)C1 ZINC000597193484 348671229 /nfs/dbraw/zinc/67/12/29/348671229.db2.gz FPSJMYFJJORDLU-UHFFFAOYSA-N 1 2 204.277 1.248 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596893540 348630026 /nfs/dbraw/zinc/63/00/26/348630026.db2.gz HZHDXBWGIJEEKI-NXEZZACHSA-N 1 2 246.314 1.133 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596893540 348630030 /nfs/dbraw/zinc/63/00/30/348630030.db2.gz HZHDXBWGIJEEKI-NXEZZACHSA-N 1 2 246.314 1.133 20 30 BDEDLO C=Cn1cc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597202708 348676456 /nfs/dbraw/zinc/67/64/56/348676456.db2.gz AELHBWGGGGINTC-UHFFFAOYSA-N 1 2 202.261 1.329 20 30 BDEDLO COc1cccc(C[NH+]2CC(CC#N)C2)n1 ZINC000597203938 348677765 /nfs/dbraw/zinc/67/77/65/348677765.db2.gz RDQGMGLDKHCBEU-UHFFFAOYSA-N 1 2 217.272 1.436 20 30 BDEDLO Cn1cccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229561 348697816 /nfs/dbraw/zinc/69/78/16/348697816.db2.gz MKNSBWMRVZOQCK-GFCCVEGCSA-N 1 2 203.289 1.761 20 30 BDEDLO Cn1cccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229561 348697817 /nfs/dbraw/zinc/69/78/17/348697817.db2.gz MKNSBWMRVZOQCK-GFCCVEGCSA-N 1 2 203.289 1.761 20 30 BDEDLO C[C@@H](NC(=O)[C@@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000597683230 348778827 /nfs/dbraw/zinc/77/88/27/348778827.db2.gz BDCMIOSHQPHIIW-JGVFFNPUSA-N 1 2 206.249 1.137 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597507359 348746940 /nfs/dbraw/zinc/74/69/40/348746940.db2.gz JGNGXJGYRYFMBX-ZJUUUORDSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597507359 348746942 /nfs/dbraw/zinc/74/69/42/348746942.db2.gz JGNGXJGYRYFMBX-ZJUUUORDSA-N 1 2 246.314 1.323 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000598136476 348904290 /nfs/dbraw/zinc/90/42/90/348904290.db2.gz GUKYLIFTFZUKPA-VIFPVBQESA-N 1 2 232.287 1.245 20 30 BDEDLO Cc1cc(N2CC[C@H](C)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000598637810 349014844 /nfs/dbraw/zinc/01/48/44/349014844.db2.gz NBTOUGMAMXCTAP-GWCFXTLKSA-N 1 2 245.326 1.716 20 30 BDEDLO CC(C)(C(=O)NCCCCC#N)c1c[nH]c[nH+]1 ZINC000598680946 349014867 /nfs/dbraw/zinc/01/48/67/349014867.db2.gz BKBUAHPVWSKUDI-UHFFFAOYSA-N 1 2 234.303 1.497 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)C#N ZINC000598738728 349036005 /nfs/dbraw/zinc/03/60/05/349036005.db2.gz QRXCXDKMXMQPSJ-IUCAKERBSA-N 1 2 220.276 1.240 20 30 BDEDLO C=C1CC[NH+](Cc2cnc(C(=O)OC)cn2)CC1 ZINC000599287429 349147617 /nfs/dbraw/zinc/14/76/17/349147617.db2.gz UDXFASUBHGHOAF-UHFFFAOYSA-N 1 2 247.298 1.415 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cncc(OC)n1 ZINC000599436200 349176211 /nfs/dbraw/zinc/17/62/11/349176211.db2.gz CZFBGCQWHZDTKK-VIFPVBQESA-N 1 2 220.276 1.267 20 30 BDEDLO COc1cncc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000599469179 349193033 /nfs/dbraw/zinc/19/30/33/349193033.db2.gz LOIJARBYOPNYMR-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO COc1cncc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000599469179 349193039 /nfs/dbraw/zinc/19/30/39/349193039.db2.gz LOIJARBYOPNYMR-NSHDSACASA-N 1 2 246.314 1.611 20 30 BDEDLO N#Cc1c(F)cccc1-n1c[nH+]c(CCCO)c1 ZINC000609497154 350443473 /nfs/dbraw/zinc/44/34/73/350443473.db2.gz XNHILPFTDMXAHA-UHFFFAOYSA-N 1 2 245.257 1.808 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@H]1COCCO1)C1CC1 ZINC000336698401 350453112 /nfs/dbraw/zinc/45/31/12/350453112.db2.gz IPKKMYRRVRMBBR-JQWIXIFHSA-N 1 2 224.304 1.026 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1COCCO1)C1CC1 ZINC000336698401 350453116 /nfs/dbraw/zinc/45/31/16/350453116.db2.gz IPKKMYRRVRMBBR-JQWIXIFHSA-N 1 2 224.304 1.026 20 30 BDEDLO CC[N@H+](CCC#N)[C@H]1CCCN(C(C)C)C1=O ZINC000336706292 350457041 /nfs/dbraw/zinc/45/70/41/350457041.db2.gz FVAQISMSODODGW-LBPRGKRZSA-N 1 2 237.347 1.621 20 30 BDEDLO CC[N@@H+](CCC#N)[C@H]1CCCN(C(C)C)C1=O ZINC000336706292 350457044 /nfs/dbraw/zinc/45/70/44/350457044.db2.gz FVAQISMSODODGW-LBPRGKRZSA-N 1 2 237.347 1.621 20 30 BDEDLO COCC(C)(C)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000617315997 350725307 /nfs/dbraw/zinc/72/53/07/350725307.db2.gz FJZANEJJIJJKBE-LLVKDONJSA-N 1 2 214.284 1.597 20 30 BDEDLO COCC(C)(C)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000617315997 350725310 /nfs/dbraw/zinc/72/53/10/350725310.db2.gz FJZANEJJIJJKBE-LLVKDONJSA-N 1 2 214.284 1.597 20 30 BDEDLO C=CCOCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000339107910 350733831 /nfs/dbraw/zinc/73/38/31/350733831.db2.gz KSENQSNJHRVQMP-OAHLLOKOSA-N 1 2 231.361 1.032 20 30 BDEDLO C=CCOCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000339107910 350733836 /nfs/dbraw/zinc/73/38/36/350733836.db2.gz KSENQSNJHRVQMP-OAHLLOKOSA-N 1 2 231.361 1.032 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000339757778 350817778 /nfs/dbraw/zinc/81/77/78/350817778.db2.gz VMGZOUQCVFRDKA-STQMWFEESA-N 1 2 236.359 1.731 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000339757778 350817783 /nfs/dbraw/zinc/81/77/83/350817783.db2.gz VMGZOUQCVFRDKA-STQMWFEESA-N 1 2 236.359 1.731 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000293253371 350863656 /nfs/dbraw/zinc/86/36/56/350863656.db2.gz ROSYGKQVIWQDPX-ZYHUDNBSSA-N 1 2 229.320 1.245 20 30 BDEDLO CC#CC[N@H+](C)CCCS(=O)(=O)C(C)C ZINC000339765473 350825256 /nfs/dbraw/zinc/82/52/56/350825256.db2.gz HMYBWPHOFKOJFD-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO CC#CC[N@@H+](C)CCCS(=O)(=O)C(C)C ZINC000339765473 350825261 /nfs/dbraw/zinc/82/52/61/350825261.db2.gz HMYBWPHOFKOJFD-UHFFFAOYSA-N 1 2 231.361 1.155 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000577614678 366018612 /nfs/dbraw/zinc/01/86/12/366018612.db2.gz MHBOVCFYKZFGPM-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000271111514 351401012 /nfs/dbraw/zinc/40/10/12/351401012.db2.gz BTEJYRRZLQNJNB-VIFPVBQESA-N 1 2 206.293 1.320 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000271111514 351401017 /nfs/dbraw/zinc/40/10/17/351401017.db2.gz BTEJYRRZLQNJNB-VIFPVBQESA-N 1 2 206.293 1.320 20 30 BDEDLO N#CCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272277377 351467048 /nfs/dbraw/zinc/46/70/48/351467048.db2.gz MESQRLAFTCYEAP-UHFFFAOYSA-N 1 2 249.289 1.172 20 30 BDEDLO COCCn1cc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000271181167 351407498 /nfs/dbraw/zinc/40/74/98/351407498.db2.gz XBKSXYRMMZPNMZ-LLVKDONJSA-N 1 2 236.319 1.263 20 30 BDEDLO COCCn1cc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000271181167 351407501 /nfs/dbraw/zinc/40/75/01/351407501.db2.gz XBKSXYRMMZPNMZ-LLVKDONJSA-N 1 2 236.319 1.263 20 30 BDEDLO CCc1nn(C)cc1C[NH2+]C[C@@H](C)C#N ZINC000122520984 363037302 /nfs/dbraw/zinc/03/73/02/363037302.db2.gz OGJSHZBIYSCPPE-VIFPVBQESA-N 1 2 206.293 1.232 20 30 BDEDLO N#CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272506157 351481393 /nfs/dbraw/zinc/48/13/93/351481393.db2.gz JLHXSNLIBXFPMI-UHFFFAOYSA-N 1 2 238.294 1.754 20 30 BDEDLO N#CCCC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273579302 351536152 /nfs/dbraw/zinc/53/61/52/351536152.db2.gz DNBKCRVDSNNZLJ-UHFFFAOYSA-N 1 2 249.293 1.041 20 30 BDEDLO Cn1cc[nH+]c1CN1CCCC(C)(C)[C@@H]1C#N ZINC000277876541 351733024 /nfs/dbraw/zinc/73/30/24/351733024.db2.gz VBJZIWJFFBHBEF-NSHDSACASA-N 1 2 232.331 1.934 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000577842167 366080257 /nfs/dbraw/zinc/08/02/57/366080257.db2.gz LFKWXSFBARUUHW-JQWIXIFHSA-N 1 2 243.314 1.820 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000577842167 366080263 /nfs/dbraw/zinc/08/02/63/366080263.db2.gz LFKWXSFBARUUHW-JQWIXIFHSA-N 1 2 243.314 1.820 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000577842168 366080829 /nfs/dbraw/zinc/08/08/29/366080829.db2.gz LFKWXSFBARUUHW-PWSUYJOCSA-N 1 2 243.314 1.820 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000577842168 366080835 /nfs/dbraw/zinc/08/08/35/366080835.db2.gz LFKWXSFBARUUHW-PWSUYJOCSA-N 1 2 243.314 1.820 20 30 BDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CC#N ZINC000281874321 351914154 /nfs/dbraw/zinc/91/41/54/351914154.db2.gz RPNSUHVXRVEUHY-NSHDSACASA-N 1 2 246.314 1.870 20 30 BDEDLO CO/N=C/C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000283190631 351962801 /nfs/dbraw/zinc/96/28/01/351962801.db2.gz YQEIRBUDDDHDIJ-PFMRQGHBSA-N 1 2 236.275 1.096 20 30 BDEDLO Cc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)oc1C ZINC000284504786 351998975 /nfs/dbraw/zinc/99/89/75/351998975.db2.gz TTYGQGBYJIWUDK-VIFPVBQESA-N 1 2 239.275 1.259 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1nccn1C(F)F ZINC000189421951 166341300 /nfs/dbraw/zinc/34/13/00/166341300.db2.gz JKCGQDYACOQLMW-UHFFFAOYSA-N 1 2 245.273 1.913 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1nccn1C(F)F ZINC000189421951 166341303 /nfs/dbraw/zinc/34/13/03/166341303.db2.gz JKCGQDYACOQLMW-UHFFFAOYSA-N 1 2 245.273 1.913 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCCCO1 ZINC000292204762 352306916 /nfs/dbraw/zinc/30/69/16/352306916.db2.gz NYYOPRGBVVOQAB-LBPRGKRZSA-N 1 2 208.305 1.957 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCCCO1 ZINC000292204762 352306917 /nfs/dbraw/zinc/30/69/17/352306917.db2.gz NYYOPRGBVVOQAB-LBPRGKRZSA-N 1 2 208.305 1.957 20 30 BDEDLO CC#CC[N@@H+](C)Cc1occc1C(=O)OC ZINC000293069180 352338498 /nfs/dbraw/zinc/33/84/98/352338498.db2.gz IWHOANXJAFORAF-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO CC#CC[N@H+](C)Cc1occc1C(=O)OC ZINC000293069180 352338502 /nfs/dbraw/zinc/33/85/02/352338502.db2.gz IWHOANXJAFORAF-UHFFFAOYSA-N 1 2 221.256 1.521 20 30 BDEDLO CCC(C#N)(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000044765413 352392336 /nfs/dbraw/zinc/39/23/36/352392336.db2.gz TYKWBSJKYYADTH-UHFFFAOYSA-N 1 2 248.330 1.719 20 30 BDEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000334264122 352898134 /nfs/dbraw/zinc/89/81/34/352898134.db2.gz KNHYISYFAVAFNO-ZDUSSCGKSA-N 1 2 249.358 1.986 20 30 BDEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000334264122 352898138 /nfs/dbraw/zinc/89/81/38/352898138.db2.gz KNHYISYFAVAFNO-ZDUSSCGKSA-N 1 2 249.358 1.986 20 30 BDEDLO CCn1c(C)nnc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330867088 353188864 /nfs/dbraw/zinc/18/88/64/353188864.db2.gz XYDXSUJCEOOGBO-QWRGUYRKSA-N 1 2 233.319 1.388 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000127147842 353263117 /nfs/dbraw/zinc/26/31/17/353263117.db2.gz AWLSRCFRBLTIQD-UHFFFAOYSA-N 1 2 209.293 1.886 20 30 BDEDLO C=CC[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000127147842 353263120 /nfs/dbraw/zinc/26/31/20/353263120.db2.gz AWLSRCFRBLTIQD-UHFFFAOYSA-N 1 2 209.293 1.886 20 30 BDEDLO CC1CC(C#N)(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000122373776 324041760 /nfs/dbraw/zinc/04/17/60/324041760.db2.gz DDSLZNPJTNYHMY-UHFFFAOYSA-N 1 2 232.287 1.308 20 30 BDEDLO C=CC[N@@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000639063951 353374527 /nfs/dbraw/zinc/37/45/27/353374527.db2.gz ASPBIALICCZZMU-UHFFFAOYSA-N 1 2 246.357 1.013 20 30 BDEDLO C=CC[N@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000639063951 353374529 /nfs/dbraw/zinc/37/45/29/353374529.db2.gz ASPBIALICCZZMU-UHFFFAOYSA-N 1 2 246.357 1.013 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@H](O)CC2)c(C#N)c[nH+]1 ZINC000398966010 353387833 /nfs/dbraw/zinc/38/78/33/353387833.db2.gz QWDQMPWXKDXBPT-HAQNSBGRSA-N 1 2 231.299 1.399 20 30 BDEDLO C#CC[N@H+]1CCC=C(Br)C1 ZINC000281576075 353444420 /nfs/dbraw/zinc/44/44/20/353444420.db2.gz FLNLFSXVQMMDCF-UHFFFAOYSA-N 1 2 200.079 1.604 20 30 BDEDLO C#CC[N@@H+]1CCC=C(Br)C1 ZINC000281576075 353444423 /nfs/dbraw/zinc/44/44/23/353444423.db2.gz FLNLFSXVQMMDCF-UHFFFAOYSA-N 1 2 200.079 1.604 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cn(C(C)C)nc1C ZINC000281791711 353452328 /nfs/dbraw/zinc/45/23/28/353452328.db2.gz XTTQTYUDIUEUAM-UHFFFAOYSA-N 1 2 229.327 1.841 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(COC)o1 ZINC000093461352 353486851 /nfs/dbraw/zinc/48/68/51/353486851.db2.gz RYIUFCXNKFYCTK-UHFFFAOYSA-N 1 2 217.268 1.494 20 30 BDEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000282340631 353468942 /nfs/dbraw/zinc/46/89/42/353468942.db2.gz VAWNNPROYNVYTQ-NEPJUHHUSA-N 1 2 248.330 1.229 20 30 BDEDLO C=C(C)C[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000284611122 353515023 /nfs/dbraw/zinc/51/50/23/353515023.db2.gz MEFZNNAUSLFNCB-ZJUUUORDSA-N 1 2 222.292 1.143 20 30 BDEDLO C=C(C)C[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000284611122 353515024 /nfs/dbraw/zinc/51/50/24/353515024.db2.gz MEFZNNAUSLFNCB-ZJUUUORDSA-N 1 2 222.292 1.143 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000192236268 353538025 /nfs/dbraw/zinc/53/80/25/353538025.db2.gz PXEAPVKRANDMGI-JTQLQIEISA-N 1 2 241.294 1.549 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000192236268 353538028 /nfs/dbraw/zinc/53/80/28/353538028.db2.gz PXEAPVKRANDMGI-JTQLQIEISA-N 1 2 241.294 1.549 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000192224364 353538193 /nfs/dbraw/zinc/53/81/93/353538193.db2.gz NZLZRYOQURSSCB-CYBMUJFWSA-N 1 2 244.338 1.993 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000192224364 353538197 /nfs/dbraw/zinc/53/81/97/353538197.db2.gz NZLZRYOQURSSCB-CYBMUJFWSA-N 1 2 244.338 1.993 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC)cc1 ZINC000289473521 353629501 /nfs/dbraw/zinc/62/95/01/353629501.db2.gz ZEKBKCPCURWRLS-CQSZACIVSA-N 1 2 242.322 1.378 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC)cc1 ZINC000289473521 353629503 /nfs/dbraw/zinc/62/95/03/353629503.db2.gz ZEKBKCPCURWRLS-CQSZACIVSA-N 1 2 242.322 1.378 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289558385 353631720 /nfs/dbraw/zinc/63/17/20/353631720.db2.gz ROIBTKKYGPCRJZ-GFCCVEGCSA-N 1 2 240.310 1.687 20 30 BDEDLO C=CCCC[N@@H+](C)Cc1noc(CCOC)n1 ZINC000289734157 353638460 /nfs/dbraw/zinc/63/84/60/353638460.db2.gz HRRABHCQCHBCLN-UHFFFAOYSA-N 1 2 239.319 1.657 20 30 BDEDLO C=CCCC[N@H+](C)Cc1noc(CCOC)n1 ZINC000289734157 353638462 /nfs/dbraw/zinc/63/84/62/353638462.db2.gz HRRABHCQCHBCLN-UHFFFAOYSA-N 1 2 239.319 1.657 20 30 BDEDLO C#C[C@@H](NC(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000290490639 353657020 /nfs/dbraw/zinc/65/70/20/353657020.db2.gz GWCJWRQISWGSEQ-GFCCVEGCSA-N 1 2 248.330 1.230 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000064442408 353665503 /nfs/dbraw/zinc/66/55/03/353665503.db2.gz ZZGPCEOCPOCJLL-UHFFFAOYSA-N 1 2 232.283 1.061 20 30 BDEDLO N#CC1(CN2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000343318989 353671674 /nfs/dbraw/zinc/67/16/74/353671674.db2.gz HSLCHOJGCVBTQF-CYBMUJFWSA-N 1 2 249.358 1.087 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000293153625 353735004 /nfs/dbraw/zinc/73/50/04/353735004.db2.gz OHCSHHJZBJGLRO-GFCCVEGCSA-N 1 2 216.284 1.168 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000293153625 353735006 /nfs/dbraw/zinc/73/50/06/353735006.db2.gz OHCSHHJZBJGLRO-GFCCVEGCSA-N 1 2 216.284 1.168 20 30 BDEDLO C#CCN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000292577541 353717271 /nfs/dbraw/zinc/71/72/71/353717271.db2.gz VBVNGLNCCYZVFS-UHFFFAOYSA-N 1 2 246.314 1.158 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000294543873 353782323 /nfs/dbraw/zinc/78/23/23/353782323.db2.gz QNGBLZZCEVMBNY-SNVBAGLBSA-N 1 2 221.304 1.600 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C)[nH]1 ZINC000293051193 353737302 /nfs/dbraw/zinc/73/73/02/353737302.db2.gz FVOBJYGKBNELRY-UHFFFAOYSA-N 1 2 246.314 1.937 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C)[nH]1 ZINC000293051193 353737306 /nfs/dbraw/zinc/73/73/06/353737306.db2.gz FVOBJYGKBNELRY-UHFFFAOYSA-N 1 2 246.314 1.937 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000295403955 353805629 /nfs/dbraw/zinc/80/56/29/353805629.db2.gz MFKRICAYFPAYEF-NSHDSACASA-N 1 2 214.284 1.113 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000295403955 353805631 /nfs/dbraw/zinc/80/56/31/353805631.db2.gz MFKRICAYFPAYEF-NSHDSACASA-N 1 2 214.284 1.113 20 30 BDEDLO C=CCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296188395 353816553 /nfs/dbraw/zinc/81/65/53/353816553.db2.gz NMXCFRRTCFJZLB-SNVBAGLBSA-N 1 2 248.330 1.699 20 30 BDEDLO C=CC[N@@H+](Cc1nccnc1OC)C1CC1 ZINC000294958884 353794243 /nfs/dbraw/zinc/79/42/43/353794243.db2.gz DRZFDGSYNUXXJT-UHFFFAOYSA-N 1 2 219.288 1.636 20 30 BDEDLO C=CC[N@H+](Cc1nccnc1OC)C1CC1 ZINC000294958884 353794246 /nfs/dbraw/zinc/79/42/46/353794246.db2.gz DRZFDGSYNUXXJT-UHFFFAOYSA-N 1 2 219.288 1.636 20 30 BDEDLO CC(C)CN1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000334553628 353997031 /nfs/dbraw/zinc/99/70/31/353997031.db2.gz HHJAFAZIPGMSJK-OLZOCXBDSA-N 1 2 249.358 1.479 20 30 BDEDLO CC(C)CN1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000334553628 353997033 /nfs/dbraw/zinc/99/70/33/353997033.db2.gz HHJAFAZIPGMSJK-OLZOCXBDSA-N 1 2 249.358 1.479 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000366843885 353979624 /nfs/dbraw/zinc/97/96/24/353979624.db2.gz HHZUUEMHPGCTOC-NEPJUHHUSA-N 1 2 245.326 1.220 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C(=O)OC ZINC000301011555 363294753 /nfs/dbraw/zinc/29/47/53/363294753.db2.gz GHUUKRKKZFPNRL-VWYCJHECSA-N 1 2 211.305 1.740 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000301018605 363296526 /nfs/dbraw/zinc/29/65/26/363296526.db2.gz IXPWDCMNOINSGO-NXEZZACHSA-N 1 2 211.305 1.882 20 30 BDEDLO N#Cc1c(F)cccc1C[NH+]1CCC(O)CC1 ZINC000336309687 181074500 /nfs/dbraw/zinc/07/45/00/181074500.db2.gz MTAZDORVHXXVBA-UHFFFAOYSA-N 1 2 234.274 1.654 20 30 BDEDLO C=C[C@H]([NH2+]CC(C)(C)CCOC)C(=O)OC ZINC000301021255 363333435 /nfs/dbraw/zinc/33/34/35/363333435.db2.gz KIKDZXZILLGHGB-JTQLQIEISA-N 1 2 229.320 1.366 20 30 BDEDLO N#CCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332406424 134004733 /nfs/dbraw/zinc/00/47/33/134004733.db2.gz YAEHTPBQFUAZGX-SNVBAGLBSA-N 1 2 232.287 1.767 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000338376459 181105947 /nfs/dbraw/zinc/10/59/47/181105947.db2.gz MHPVXRJLVFLIGO-OKILXGFUSA-N 1 2 244.294 1.158 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000338376459 181105951 /nfs/dbraw/zinc/10/59/51/181105951.db2.gz MHPVXRJLVFLIGO-OKILXGFUSA-N 1 2 244.294 1.158 20 30 BDEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)cn1 ZINC000125889608 181121646 /nfs/dbraw/zinc/12/16/46/181121646.db2.gz UTUBORHUTXUMFK-UHFFFAOYSA-N 1 2 227.271 1.652 20 30 BDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(CO)CC1 ZINC000085148861 181114556 /nfs/dbraw/zinc/11/45/56/181114556.db2.gz RPTHBYFITPZTHX-UHFFFAOYSA-N 1 2 248.301 1.902 20 30 BDEDLO C=CC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263151 354390106 /nfs/dbraw/zinc/39/01/06/354390106.db2.gz YYXKWPCWMIZCFY-SECBINFHSA-N 1 2 217.334 1.070 20 30 BDEDLO C=CC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263151 354390110 /nfs/dbraw/zinc/39/01/10/354390110.db2.gz YYXKWPCWMIZCFY-SECBINFHSA-N 1 2 217.334 1.070 20 30 BDEDLO Cn1ncc2c1CCC[N@H+](CC1(C#N)CC1)C2 ZINC000334644749 354403097 /nfs/dbraw/zinc/40/30/97/354403097.db2.gz JHWSKNLPMPKBAO-UHFFFAOYSA-N 1 2 230.315 1.472 20 30 BDEDLO Cn1ncc2c1CCC[N@@H+](CC1(C#N)CC1)C2 ZINC000334644749 354403101 /nfs/dbraw/zinc/40/31/01/354403101.db2.gz JHWSKNLPMPKBAO-UHFFFAOYSA-N 1 2 230.315 1.472 20 30 BDEDLO C=C(C)CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334692386 354482472 /nfs/dbraw/zinc/48/24/72/354482472.db2.gz WSKCCQDTIOKVHJ-NXEZZACHSA-N 1 2 234.303 1.764 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000336478968 181144921 /nfs/dbraw/zinc/14/49/21/181144921.db2.gz FPHVGVXLSPYJMD-OLZOCXBDSA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000336478968 181144922 /nfs/dbraw/zinc/14/49/22/181144922.db2.gz FPHVGVXLSPYJMD-OLZOCXBDSA-N 1 2 234.274 1.463 20 30 BDEDLO N#Cc1ccccc1COCc1[nH]cc[nH+]1 ZINC000123741281 181147189 /nfs/dbraw/zinc/14/71/89/181147189.db2.gz NZCNLNQLIYOCMQ-UHFFFAOYSA-N 1 2 213.240 1.998 20 30 BDEDLO Cc1cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000335138842 354790855 /nfs/dbraw/zinc/79/08/55/354790855.db2.gz MHDOSAMCHOGYTF-WDEREUQCSA-N 1 2 244.298 1.626 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCS[C@H](C)C1 ZINC000301046952 363381875 /nfs/dbraw/zinc/38/18/75/363381875.db2.gz PCIDOMRRZNQEJS-RKDXNWHRSA-N 1 2 215.318 1.151 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCS[C@H](C)C1 ZINC000301046952 363381876 /nfs/dbraw/zinc/38/18/76/363381876.db2.gz PCIDOMRRZNQEJS-RKDXNWHRSA-N 1 2 215.318 1.151 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)C(=O)OC ZINC000301051790 363396806 /nfs/dbraw/zinc/39/68/06/363396806.db2.gz UZVUAEYVHYBVSX-AXFHLTTASA-N 1 2 211.305 1.740 20 30 BDEDLO CC[N@H+](CCC(C)(C)C#N)Cc1cn(C)nn1 ZINC000346999994 355197097 /nfs/dbraw/zinc/19/70/97/355197097.db2.gz WYLUTYPKPRHSEA-UHFFFAOYSA-N 1 2 235.335 1.577 20 30 BDEDLO CC[N@@H+](CCC(C)(C)C#N)Cc1cn(C)nn1 ZINC000346999994 355197099 /nfs/dbraw/zinc/19/70/99/355197099.db2.gz WYLUTYPKPRHSEA-UHFFFAOYSA-N 1 2 235.335 1.577 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1ncc(C#N)cc1F ZINC000413028968 191352211 /nfs/dbraw/zinc/35/22/11/191352211.db2.gz DYCWUGPQSOWHHE-UHFFFAOYSA-N 1 2 245.261 1.462 20 30 BDEDLO C=C[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413182405 191361356 /nfs/dbraw/zinc/36/13/56/191361356.db2.gz GLHVUSWLOXHSAS-RKDXNWHRSA-N 1 2 222.292 1.256 20 30 BDEDLO C=C[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413182405 191361359 /nfs/dbraw/zinc/36/13/59/191361359.db2.gz GLHVUSWLOXHSAS-RKDXNWHRSA-N 1 2 222.292 1.256 20 30 BDEDLO CC#CC[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000348926892 355331229 /nfs/dbraw/zinc/33/12/29/355331229.db2.gz KRXSPXWHLVEQQC-UHFFFAOYSA-N 1 2 237.347 1.088 20 30 BDEDLO CC#CC[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000348926892 355331232 /nfs/dbraw/zinc/33/12/32/355331232.db2.gz KRXSPXWHLVEQQC-UHFFFAOYSA-N 1 2 237.347 1.088 20 30 BDEDLO CC(C)(O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000267377973 535283715 /nfs/dbraw/zinc/28/37/15/535283715.db2.gz FWNNMGJDFIWLNM-UHFFFAOYSA-N 1 2 247.342 1.958 20 30 BDEDLO CC(C)(O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000267377973 535283719 /nfs/dbraw/zinc/28/37/19/535283719.db2.gz FWNNMGJDFIWLNM-UHFFFAOYSA-N 1 2 247.342 1.958 20 30 BDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349241944 355374320 /nfs/dbraw/zinc/37/43/20/355374320.db2.gz LFZSOQGMGYCPCL-LLVKDONJSA-N 1 2 249.314 1.526 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000352096707 134062968 /nfs/dbraw/zinc/06/29/68/134062968.db2.gz IPTZYXCCNKHQPS-JTQLQIEISA-N 1 2 243.314 1.560 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000352096707 134062969 /nfs/dbraw/zinc/06/29/69/134062969.db2.gz IPTZYXCCNKHQPS-JTQLQIEISA-N 1 2 243.314 1.560 20 30 BDEDLO N#CCC[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000331130577 356050384 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/nfs/dbraw/zinc/55/26/25/356552625.db2.gz JZUARSYJTROYRM-UHFFFAOYSA-N 1 2 237.299 1.739 20 30 BDEDLO C[C@@H](O)CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336274903 134141757 /nfs/dbraw/zinc/14/17/57/134141757.db2.gz WTGVDWLZHXAKDQ-MNOVXSKESA-N 1 2 210.321 1.771 20 30 BDEDLO C[C@@H](O)CC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336274903 134141758 /nfs/dbraw/zinc/14/17/58/134141758.db2.gz WTGVDWLZHXAKDQ-MNOVXSKESA-N 1 2 210.321 1.771 20 30 BDEDLO N#CCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000336559674 134149679 /nfs/dbraw/zinc/14/96/79/134149679.db2.gz LASZPYRKEQBWIO-VXGBXAGGSA-N 1 2 220.316 1.934 20 30 BDEDLO N#CCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000336559674 134149680 /nfs/dbraw/zinc/14/96/80/134149680.db2.gz LASZPYRKEQBWIO-VXGBXAGGSA-N 1 2 220.316 1.934 20 30 BDEDLO CCn1ncnc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000088589632 356746577 /nfs/dbraw/zinc/74/65/77/356746577.db2.gz ISYMJVIYFZJMCW-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO Cc1c[nH]nc1C[NH+]1CCC(F)(C#N)CC1 ZINC000356302831 134177426 /nfs/dbraw/zinc/17/74/26/134177426.db2.gz MEORZLGVDNCHSZ-UHFFFAOYSA-N 1 2 222.267 1.546 20 30 BDEDLO C[C@@H](C#N)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000582260563 356900154 /nfs/dbraw/zinc/90/01/54/356900154.db2.gz DRTRKGJYZLYCHM-NSHDSACASA-N 1 2 249.318 1.122 20 30 BDEDLO N#Cc1cnccc1NCCCCn1cc[nH+]c1 ZINC000399539959 356975108 /nfs/dbraw/zinc/97/51/08/356975108.db2.gz XXKXFHQSOJVKFE-UHFFFAOYSA-N 1 2 241.298 1.464 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccncc1C#N ZINC000399483830 356954601 /nfs/dbraw/zinc/95/46/01/356954601.db2.gz CUZPLSNOOCSFPC-SNVBAGLBSA-N 1 2 227.271 1.072 20 30 BDEDLO Cc1cc(N2CCn3cc[nH+]c3C2)c(C#N)cn1 ZINC000399718127 357022474 /nfs/dbraw/zinc/02/24/74/357022474.db2.gz HGFJQXIQTRITRS-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583697264 357271816 /nfs/dbraw/zinc/27/18/16/357271816.db2.gz ZFHGEHBAZWMVML-TUAOUCFPSA-N 1 2 249.314 1.294 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582728096 357374371 /nfs/dbraw/zinc/37/43/71/357374371.db2.gz WKELXQGQCOSZHY-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000582542282 357340751 /nfs/dbraw/zinc/34/07/51/357340751.db2.gz PYUVVKYZXPOPHM-ONGXEEELSA-N 1 2 235.287 1.039 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)CCCC#N ZINC000360381924 134200275 /nfs/dbraw/zinc/20/02/75/134200275.db2.gz SGRVMZOBGSGKHU-UHFFFAOYSA-N 1 2 219.244 1.723 20 30 BDEDLO C[C@H](CC#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582789831 357396130 /nfs/dbraw/zinc/39/61/30/357396130.db2.gz LTPWCEIOGDOHBH-ZJUUUORDSA-N 1 2 220.276 1.253 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000583153521 357496664 /nfs/dbraw/zinc/49/66/64/357496664.db2.gz MCQDGXFMVISYIB-JTQLQIEISA-N 1 2 223.320 1.137 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639924665 357796416 /nfs/dbraw/zinc/79/64/16/357796416.db2.gz BVJILPKEZYCZQT-CYBMUJFWSA-N 1 2 248.326 1.965 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639924665 357796422 /nfs/dbraw/zinc/79/64/22/357796422.db2.gz BVJILPKEZYCZQT-CYBMUJFWSA-N 1 2 248.326 1.965 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ncccn1 ZINC000191889883 357802274 /nfs/dbraw/zinc/80/22/74/357802274.db2.gz VWIIZJFFCSVUSG-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccn1 ZINC000191889883 357802279 /nfs/dbraw/zinc/80/22/79/357802279.db2.gz VWIIZJFFCSVUSG-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](CO)O1 ZINC000191718438 357790501 /nfs/dbraw/zinc/79/05/01/357790501.db2.gz WKNKZNHLYBZXBN-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](CO)O1 ZINC000191718438 357790503 /nfs/dbraw/zinc/79/05/03/357790503.db2.gz WKNKZNHLYBZXBN-BXUZGUMPSA-N 1 2 246.310 1.140 20 30 BDEDLO C=CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000119055532 134224555 /nfs/dbraw/zinc/22/45/55/134224555.db2.gz WLBAMZJFCUZBRN-VXGBXAGGSA-N 1 2 248.330 1.662 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)c(O)co1 ZINC000584419076 357916879 /nfs/dbraw/zinc/91/68/79/357916879.db2.gz UJSSZLFSKOSZMW-QMMMGPOBSA-N 1 2 222.244 1.127 20 30 BDEDLO Cn1cc[nH+]c1CN(CCC#N)CCC#N ZINC000122005098 134237208 /nfs/dbraw/zinc/23/72/08/134237208.db2.gz WYDCQQSWKYRHDW-UHFFFAOYSA-N 1 2 217.276 1.049 20 30 BDEDLO C=CCOCC[N@H+](CCC#N)CCOC ZINC000385407477 358062248 /nfs/dbraw/zinc/06/22/48/358062248.db2.gz FOGGPGHWBMRTLW-UHFFFAOYSA-N 1 2 212.293 1.051 20 30 BDEDLO C=CCOCC[N@@H+](CCC#N)CCOC ZINC000385407477 358062251 /nfs/dbraw/zinc/06/22/51/358062251.db2.gz FOGGPGHWBMRTLW-UHFFFAOYSA-N 1 2 212.293 1.051 20 30 BDEDLO Cc1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000610917247 358233189 /nfs/dbraw/zinc/23/31/89/358233189.db2.gz HDRATAJOZZYMNZ-LLVKDONJSA-N 1 2 231.299 1.825 20 30 BDEDLO N#CC1(C[NH2+][C@@H](CCO)c2ccco2)CCC1 ZINC000450757611 202256502 /nfs/dbraw/zinc/25/65/02/202256502.db2.gz MYBROQKLVCZRLF-NSHDSACASA-N 1 2 234.299 1.987 20 30 BDEDLO CC[N@@H+](Cc1ccc(OC)nn1)C[C@@H](C)C#N ZINC000310305349 358443855 /nfs/dbraw/zinc/44/38/55/358443855.db2.gz QTNPBLHGZDRLSR-JTQLQIEISA-N 1 2 234.303 1.467 20 30 BDEDLO CC[N@H+](Cc1ccc(OC)nn1)C[C@@H](C)C#N ZINC000310305349 358443859 /nfs/dbraw/zinc/44/38/59/358443859.db2.gz QTNPBLHGZDRLSR-JTQLQIEISA-N 1 2 234.303 1.467 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231643367 358418037 /nfs/dbraw/zinc/41/80/37/358418037.db2.gz BSRPLKPFFBGIEB-VIFPVBQESA-N 1 2 245.282 1.267 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000042454400 358524219 /nfs/dbraw/zinc/52/42/19/358524219.db2.gz GKBISSAFIBFEQK-LLVKDONJSA-N 1 2 225.336 1.527 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000042454400 358524223 /nfs/dbraw/zinc/52/42/23/358524223.db2.gz GKBISSAFIBFEQK-LLVKDONJSA-N 1 2 225.336 1.527 20 30 BDEDLO CCN(CC)C(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454427 358524548 /nfs/dbraw/zinc/52/45/48/358524548.db2.gz MAMKCZDCKYHLDV-NSHDSACASA-N 1 2 225.336 1.479 20 30 BDEDLO CCN(CC)C(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454427 358524551 /nfs/dbraw/zinc/52/45/51/358524551.db2.gz MAMKCZDCKYHLDV-NSHDSACASA-N 1 2 225.336 1.479 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000042460963 358524731 /nfs/dbraw/zinc/52/47/31/358524731.db2.gz SUWIZHSWUASTKX-NEPJUHHUSA-N 1 2 237.347 1.479 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000042460963 358524735 /nfs/dbraw/zinc/52/47/35/358524735.db2.gz SUWIZHSWUASTKX-NEPJUHHUSA-N 1 2 237.347 1.479 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000042897873 358532187 /nfs/dbraw/zinc/53/21/87/358532187.db2.gz MNGPBZAISAPKPY-NSHDSACASA-N 1 2 249.318 1.074 20 30 BDEDLO CC#CC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000131736067 358691650 /nfs/dbraw/zinc/69/16/50/358691650.db2.gz JYSFRENBRJODFH-ZDUSSCGKSA-N 1 2 218.300 1.422 20 30 BDEDLO CC#CC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000131736067 358691652 /nfs/dbraw/zinc/69/16/52/358691652.db2.gz JYSFRENBRJODFH-ZDUSSCGKSA-N 1 2 218.300 1.422 20 30 BDEDLO C=C(C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613665518 363615482 /nfs/dbraw/zinc/61/54/82/363615482.db2.gz 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C[C@H](C#N)C[N@@H+](C)Cc1ccc(O)cc1 ZINC000094680045 370448583 /nfs/dbraw/zinc/44/85/83/370448583.db2.gz JDWQACYVFYZACF-SNVBAGLBSA-N 1 2 204.273 1.984 20 30 BDEDLO CC[N@H+](Cc1ccccc1C#N)[C@H]1CCNC1=O ZINC000282199615 371449773 /nfs/dbraw/zinc/44/97/73/371449773.db2.gz CNPNYTVBGKETQC-ZDUSSCGKSA-N 1 2 243.310 1.269 20 30 BDEDLO CC[N@@H+](Cc1ccccc1C#N)[C@H]1CCNC1=O ZINC000282199615 371449779 /nfs/dbraw/zinc/44/97/79/371449779.db2.gz CNPNYTVBGKETQC-ZDUSSCGKSA-N 1 2 243.310 1.269 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000162096514 371609458 /nfs/dbraw/zinc/60/94/58/371609458.db2.gz LFZYUFUOXPSFLT-LLVKDONJSA-N 1 2 249.339 1.460 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000162096514 371609466 /nfs/dbraw/zinc/60/94/66/371609466.db2.gz LFZYUFUOXPSFLT-LLVKDONJSA-N 1 2 249.339 1.460 20 30 BDEDLO C=C(C)CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627621752 371786896 /nfs/dbraw/zinc/78/68/96/371786896.db2.gz HLXKOVMXZQSIJL-LBPRGKRZSA-N 1 2 247.342 1.836 20 30 BDEDLO CC[N@@H+](CCC#N)CCCCS(C)(=O)=O ZINC000163572289 372014456 /nfs/dbraw/zinc/01/44/56/372014456.db2.gz IZYXAEQNBCGZDY-UHFFFAOYSA-N 1 2 232.349 1.047 20 30 BDEDLO CC[N@H+](CCC#N)CCCCS(C)(=O)=O ZINC000163572289 372014460 /nfs/dbraw/zinc/01/44/60/372014460.db2.gz IZYXAEQNBCGZDY-UHFFFAOYSA-N 1 2 232.349 1.047 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1ccc(CO)o1 ZINC000164679773 372182353 /nfs/dbraw/zinc/18/23/53/372182353.db2.gz LFPWKKRDCYZOQK-UHFFFAOYSA-N 1 2 208.261 1.411 20 30 BDEDLO C=CC[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631363170 372316363 /nfs/dbraw/zinc/31/63/63/372316363.db2.gz BNSCNQRVCHBQID-JTQLQIEISA-N 1 2 233.319 1.385 20 30 BDEDLO C=CC[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631363170 372316367 /nfs/dbraw/zinc/31/63/67/372316367.db2.gz BNSCNQRVCHBQID-JTQLQIEISA-N 1 2 233.319 1.385 20 30 BDEDLO C=C[C@H](CO)Nc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631382718 372326445 /nfs/dbraw/zinc/32/64/45/372326445.db2.gz VWISVSOZVYFFHO-SECBINFHSA-N 1 2 246.314 1.462 20 30 BDEDLO C=C1CC(C)(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000633140526 373303802 /nfs/dbraw/zinc/30/38/02/373303802.db2.gz UINYKWHMBATHRE-UHFFFAOYSA-N 1 2 231.299 1.582 20 30 BDEDLO C=CCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633197803 373337172 /nfs/dbraw/zinc/33/71/72/373337172.db2.gz WGDQQZMQZSVKER-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442872134 206083474 /nfs/dbraw/zinc/08/34/74/206083474.db2.gz JFUVPRKVCXJEFC-GARJFASQSA-N 1 2 238.331 1.998 20 30 BDEDLO C[C@H](O)C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459495133 206130769 /nfs/dbraw/zinc/13/07/69/206130769.db2.gz CYLIUSNVWZWPCT-VIFPVBQESA-N 1 2 249.270 1.279 20 30 BDEDLO C[C@H](O)C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459495133 206130773 /nfs/dbraw/zinc/13/07/73/206130773.db2.gz CYLIUSNVWZWPCT-VIFPVBQESA-N 1 2 249.270 1.279 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1OC ZINC000192230790 259583863 /nfs/dbraw/zinc/58/38/63/259583863.db2.gz JJBYJNOJCYXKRL-UHFFFAOYSA-N 1 2 232.283 1.199 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000192230790 259583865 /nfs/dbraw/zinc/58/38/65/259583865.db2.gz JJBYJNOJCYXKRL-UHFFFAOYSA-N 1 2 232.283 1.199 20 30 BDEDLO CCC[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000336796740 169110196 /nfs/dbraw/zinc/11/01/96/169110196.db2.gz VLTAQVJGXNKBLO-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO CCC[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000336796740 169110199 /nfs/dbraw/zinc/11/01/99/169110199.db2.gz VLTAQVJGXNKBLO-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO CCCNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480444 169240808 /nfs/dbraw/zinc/24/08/08/169240808.db2.gz CBCPPINSFPZCDC-SNVBAGLBSA-N 1 2 241.310 1.229 20 30 BDEDLO C#CCCCC(=O)NCc1c[nH+]ccc1OC ZINC000293334699 533018842 /nfs/dbraw/zinc/01/88/42/533018842.db2.gz KSWACQHEOCATNE-UHFFFAOYSA-N 1 2 232.283 1.510 20 30 BDEDLO C#CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298737094 383987185 /nfs/dbraw/zinc/98/71/85/383987185.db2.gz WRMYSSXMLBBUOR-CYBMUJFWSA-N 1 2 201.269 1.693 20 30 BDEDLO C#CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298737094 383987195 /nfs/dbraw/zinc/98/71/95/383987195.db2.gz WRMYSSXMLBBUOR-CYBMUJFWSA-N 1 2 201.269 1.693 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCOCC23CC3)c1 ZINC000335059046 384009517 /nfs/dbraw/zinc/00/95/17/384009517.db2.gz FDAMQXHHRULSLC-UHFFFAOYSA-N 1 2 228.295 1.923 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCOCC23CC3)c1 ZINC000335059046 384009523 /nfs/dbraw/zinc/00/95/23/384009523.db2.gz FDAMQXHHRULSLC-UHFFFAOYSA-N 1 2 228.295 1.923 20 30 BDEDLO Cc1cc(NC(=O)C[N@H+](C)CCCC#N)no1 ZINC000053814686 134386546 /nfs/dbraw/zinc/38/65/46/134386546.db2.gz KZFZVDKTFNJOIA-UHFFFAOYSA-N 1 2 236.275 1.157 20 30 BDEDLO Cc1cc(NC(=O)C[N@@H+](C)CCCC#N)no1 ZINC000053814686 134386548 /nfs/dbraw/zinc/38/65/48/134386548.db2.gz KZFZVDKTFNJOIA-UHFFFAOYSA-N 1 2 236.275 1.157 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccnc1N ZINC000569503140 384136255 /nfs/dbraw/zinc/13/62/55/384136255.db2.gz WDBLSNIGBOWCOA-JTQLQIEISA-N 1 2 204.277 1.446 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCSC1 ZINC000336449849 384230403 /nfs/dbraw/zinc/23/04/03/384230403.db2.gz KYQLHKJUAQMOIU-SECBINFHSA-N 1 2 239.369 1.952 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCSC1 ZINC000336449849 384230405 /nfs/dbraw/zinc/23/04/05/384230405.db2.gz KYQLHKJUAQMOIU-SECBINFHSA-N 1 2 239.369 1.952 20 30 BDEDLO CCc1cccc(NC(=O)C[NH2+]CCC#N)c1 ZINC000560604263 384248207 /nfs/dbraw/zinc/24/82/07/384248207.db2.gz GSJVWOWHBUDLFR-UHFFFAOYSA-N 1 2 231.299 1.691 20 30 BDEDLO Cc1ccn(CC2CC[NH2+]CC2)c(=O)c1C#N ZINC000335446198 384289936 /nfs/dbraw/zinc/28/99/36/384289936.db2.gz GFUCWJKGYVBZFO-UHFFFAOYSA-N 1 2 231.299 1.028 20 30 BDEDLO Cc1cc(C#N)c(=O)n(CC2CC[NH2+]CC2)c1 ZINC000335446266 384290477 /nfs/dbraw/zinc/29/04/77/384290477.db2.gz HIPMXWYAPKXBIZ-UHFFFAOYSA-N 1 2 231.299 1.028 20 30 BDEDLO Cc1cc(N[C@H]2CS[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335512161 384295799 /nfs/dbraw/zinc/29/57/99/384295799.db2.gz PZZMAVUZSAPEAY-GXSJLCMTSA-N 1 2 233.340 1.990 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000299716680 384344849 /nfs/dbraw/zinc/34/48/49/384344849.db2.gz RMUCNLCTJBDNDM-UHFFFAOYSA-N 1 2 216.712 1.469 20 30 BDEDLO C=C(Cl)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000299716680 384344856 /nfs/dbraw/zinc/34/48/56/384344856.db2.gz RMUCNLCTJBDNDM-UHFFFAOYSA-N 1 2 216.712 1.469 20 30 BDEDLO Cc1ccnc(NC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000135084412 384413108 /nfs/dbraw/zinc/41/31/08/384413108.db2.gz NVDJKJYXXYOFLI-NSHDSACASA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000135084412 384413111 /nfs/dbraw/zinc/41/31/11/384413111.db2.gz NVDJKJYXXYOFLI-NSHDSACASA-N 1 2 246.314 1.004 20 30 BDEDLO COCC[N@H+](CCCCC#N)CC(F)F ZINC000103484944 384634496 /nfs/dbraw/zinc/63/44/96/384634496.db2.gz BERPHZPZFBOKNA-UHFFFAOYSA-N 1 2 220.263 1.894 20 30 BDEDLO COCC[N@@H+](CCCCC#N)CC(F)F ZINC000103484944 384634501 /nfs/dbraw/zinc/63/45/01/384634501.db2.gz BERPHZPZFBOKNA-UHFFFAOYSA-N 1 2 220.263 1.894 20 30 BDEDLO C#CCNC(=O)[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000155462429 384724099 /nfs/dbraw/zinc/72/40/99/384724099.db2.gz IUAQZZFHLSDUIH-NSHDSACASA-N 1 2 228.295 1.140 20 30 BDEDLO Cc1c[nH+]c(CNCc2cccc(C#N)c2)n1C ZINC000341008058 384724801 /nfs/dbraw/zinc/72/48/01/384724801.db2.gz KGBFYMXSZUANIF-UHFFFAOYSA-N 1 2 240.310 1.890 20 30 BDEDLO CO[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000234889705 384725954 /nfs/dbraw/zinc/72/59/54/384725954.db2.gz BHQSNIMVQQMLPY-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000234889705 384725962 /nfs/dbraw/zinc/72/59/62/384725962.db2.gz BHQSNIMVQQMLPY-ZDUSSCGKSA-N 1 2 234.274 1.918 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565725207 384685305 /nfs/dbraw/zinc/68/53/05/384685305.db2.gz WOPNIWQVPCMLJM-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565725207 384685311 /nfs/dbraw/zinc/68/53/11/384685311.db2.gz WOPNIWQVPCMLJM-RISCZKNCSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000565725205 384686241 /nfs/dbraw/zinc/68/62/41/384686241.db2.gz WOPNIWQVPCMLJM-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000565725205 384686245 /nfs/dbraw/zinc/68/62/45/384686245.db2.gz WOPNIWQVPCMLJM-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO C#CC[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000051964085 384705342 /nfs/dbraw/zinc/70/53/42/384705342.db2.gz CZCHFCKIJPASCC-LLVKDONJSA-N 1 2 209.289 1.331 20 30 BDEDLO Cn1c[nH+]cc1Cn1nc(C#N)c2ccccc21 ZINC000432457204 384727278 /nfs/dbraw/zinc/72/72/78/384727278.db2.gz PIDPVHPDDCELCW-UHFFFAOYSA-N 1 2 237.266 1.690 20 30 BDEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000491414329 384743467 /nfs/dbraw/zinc/74/34/67/384743467.db2.gz BZKVSNLTKRQLKG-PWSUYJOCSA-N 1 2 247.342 1.752 20 30 BDEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000491414329 384743469 /nfs/dbraw/zinc/74/34/69/384743469.db2.gz BZKVSNLTKRQLKG-PWSUYJOCSA-N 1 2 247.342 1.752 20 30 BDEDLO C[N@H+](Cc1ccnc(N)c1)CC(C)(C)C#N ZINC000310008082 384780150 /nfs/dbraw/zinc/78/01/50/384780150.db2.gz HNISQKGURSSPTL-UHFFFAOYSA-N 1 2 218.304 1.645 20 30 BDEDLO C[N@@H+](Cc1ccnc(N)c1)CC(C)(C)C#N ZINC000310008082 384780154 /nfs/dbraw/zinc/78/01/54/384780154.db2.gz HNISQKGURSSPTL-UHFFFAOYSA-N 1 2 218.304 1.645 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491803399 384771501 /nfs/dbraw/zinc/77/15/01/384771501.db2.gz IZBGGGVZYJKDDL-LBPRGKRZSA-N 1 2 245.326 1.862 20 30 BDEDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356385516 384844704 /nfs/dbraw/zinc/84/47/04/384844704.db2.gz FGNNHZLMFLFMSF-BDAKNGLRSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356385516 384844711 /nfs/dbraw/zinc/84/47/11/384844711.db2.gz FGNNHZLMFLFMSF-BDAKNGLRSA-N 1 2 237.328 1.217 20 30 BDEDLO C=C(C)CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000156624131 384902938 /nfs/dbraw/zinc/90/29/38/384902938.db2.gz XBAFMUAFCVSLOJ-UHFFFAOYSA-N 1 2 236.319 1.491 20 30 BDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 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385026821 /nfs/dbraw/zinc/02/68/21/385026821.db2.gz WWZANFCBQWOOQJ-UHFFFAOYSA-N 1 2 224.267 1.892 20 30 BDEDLO C=CCSCC[NH2+]Cc1cn[nH]c1C ZINC000105462339 385044904 /nfs/dbraw/zinc/04/49/04/385044904.db2.gz DPBJAICCYGWIRJ-UHFFFAOYSA-N 1 2 211.334 1.727 20 30 BDEDLO CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)C[C@H](C)C#N ZINC000359243730 385101404 /nfs/dbraw/zinc/10/14/04/385101404.db2.gz XDSVGPHKMLLKFD-SNVBAGLBSA-N 1 2 249.314 1.783 20 30 BDEDLO CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)C[C@H](C)C#N ZINC000359243730 385101413 /nfs/dbraw/zinc/10/14/13/385101413.db2.gz XDSVGPHKMLLKFD-SNVBAGLBSA-N 1 2 249.314 1.783 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000157563201 385197035 /nfs/dbraw/zinc/19/70/35/385197035.db2.gz HULNILWXMRHCNX-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000157563201 385197041 /nfs/dbraw/zinc/19/70/41/385197041.db2.gz HULNILWXMRHCNX-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC(=O)N1 ZINC000336304009 385159283 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C=C(C)CN(C)C(=O)NCc1[nH+]ccn1C ZINC000330729009 386884958 /nfs/dbraw/zinc/88/49/58/386884958.db2.gz NSCCZJZOAXSYOB-UHFFFAOYSA-N 1 2 222.292 1.342 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@H](C)C[C@H](C)O)c[nH+]1 ZINC000330815888 386897378 /nfs/dbraw/zinc/89/73/78/386897378.db2.gz OUFZVQOYBIQUBQ-RQJHMYQMSA-N 1 2 211.265 1.182 20 30 BDEDLO CC#CCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000368129736 386944229 /nfs/dbraw/zinc/94/42/29/386944229.db2.gz UHDVCVNDAFAGDL-JTQLQIEISA-N 1 2 205.261 1.620 20 30 BDEDLO CC#CCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000368129736 386944232 /nfs/dbraw/zinc/94/42/32/386944232.db2.gz UHDVCVNDAFAGDL-JTQLQIEISA-N 1 2 205.261 1.620 20 30 BDEDLO CO[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000399518658 386955602 /nfs/dbraw/zinc/95/56/02/386955602.db2.gz PSNGZSSQHYMCRP-STQMWFEESA-N 1 2 245.326 1.909 20 30 BDEDLO Cc1cc(NCCOC(C)C)c(C#N)c[nH+]1 ZINC000399604920 387036869 /nfs/dbraw/zinc/03/68/69/387036869.db2.gz UWSJJZVZLFDQIY-UHFFFAOYSA-N 1 2 219.288 1.521 20 30 BDEDLO COCCCCCNc1cc(C)[nH+]cc1C#N ZINC000399562417 387015602 /nfs/dbraw/zinc/01/56/02/387015602.db2.gz FVJRRTUWHXINPY-UHFFFAOYSA-N 1 2 233.315 1.912 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1cncnc1OC ZINC000648022084 387016772 /nfs/dbraw/zinc/01/67/72/387016772.db2.gz YCWLCHTZJIOSLH-UHFFFAOYSA-N 1 2 207.277 1.493 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1cncnc1OC ZINC000648022084 387016779 /nfs/dbraw/zinc/01/67/79/387016779.db2.gz YCWLCHTZJIOSLH-UHFFFAOYSA-N 1 2 207.277 1.493 20 30 BDEDLO Cn1ccnc1[C@@H]([NH2+]CCC#N)C1CC1 ZINC000519143162 387019966 /nfs/dbraw/zinc/01/99/66/387019966.db2.gz LYPLJXNRPTZXRK-JTQLQIEISA-N 1 2 204.277 1.374 20 30 BDEDLO Cn1cc[nH+]c1[C@@H](NCCC#N)C1CC1 ZINC000519143162 387019973 /nfs/dbraw/zinc/01/99/73/387019973.db2.gz LYPLJXNRPTZXRK-JTQLQIEISA-N 1 2 204.277 1.374 20 30 BDEDLO N#Cc1ccc(C[NH2+]C2(C(N)=O)CC2)c(Cl)c1 ZINC000439424745 387029802 /nfs/dbraw/zinc/02/98/02/387029802.db2.gz SJESECYTSIRYGK-UHFFFAOYSA-N 1 2 249.701 1.319 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000572393550 387383423 /nfs/dbraw/zinc/38/34/23/387383423.db2.gz OOISUNAUZPYEKJ-ZYHUDNBSSA-N 1 2 243.314 1.300 20 30 BDEDLO C#CCCCCC(=O)NCCNc1cccc[nH+]1 ZINC000271658009 387445760 /nfs/dbraw/zinc/44/57/60/387445760.db2.gz NTVBGPLDVTYUOB-UHFFFAOYSA-N 1 2 245.326 1.803 20 30 BDEDLO C=C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264483998 387391836 /nfs/dbraw/zinc/39/18/36/387391836.db2.gz MKIDUWIUOSVJHE-UHFFFAOYSA-N 1 2 219.288 1.452 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000276926836 387525650 /nfs/dbraw/zinc/52/56/50/387525650.db2.gz IACIUEGKSWUNPH-UHFFFAOYSA-N 1 2 222.219 1.799 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000276926836 387525656 /nfs/dbraw/zinc/52/56/56/387525656.db2.gz IACIUEGKSWUNPH-UHFFFAOYSA-N 1 2 222.219 1.799 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1ccc(C#N)cn1 ZINC000268943412 387609573 /nfs/dbraw/zinc/60/95/73/387609573.db2.gz GJHAKUSTDBQPRF-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO C=CCCC1(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000527255530 387551143 /nfs/dbraw/zinc/55/11/43/387551143.db2.gz BZJSXVHUFYDKNB-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO C=C[C@@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000431290300 387698550 /nfs/dbraw/zinc/69/85/50/387698550.db2.gz KKLLECYGFOSHSD-SECBINFHSA-N 1 2 235.287 1.464 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126989717 387699425 /nfs/dbraw/zinc/69/94/25/387699425.db2.gz GAKCJNQOGQRACX-CQSZACIVSA-N 1 2 231.295 1.789 20 30 BDEDLO CC#CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126989717 387699432 /nfs/dbraw/zinc/69/94/32/387699432.db2.gz GAKCJNQOGQRACX-CQSZACIVSA-N 1 2 231.295 1.789 20 30 BDEDLO CCOCCCCNc1cc(C)[nH+]cc1C#N ZINC000399484862 387710038 /nfs/dbraw/zinc/71/00/38/387710038.db2.gz FDZKYQCIISGHGF-UHFFFAOYSA-N 1 2 233.315 1.912 20 30 BDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC#CCOC ZINC000611080243 387776036 /nfs/dbraw/zinc/77/60/36/387776036.db2.gz PACDJOWKMLRCJX-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CC#CCOC ZINC000611080243 387776040 /nfs/dbraw/zinc/77/60/40/387776040.db2.gz PACDJOWKMLRCJX-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)NCCC(C)(C)C ZINC000174048914 387903922 /nfs/dbraw/zinc/90/39/22/387903922.db2.gz LTCKOEQJRHCHQX-UHFFFAOYSA-N 1 2 234.343 1.107 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444737122 387920369 /nfs/dbraw/zinc/92/03/69/387920369.db2.gz WYECMICVLDYIPW-RKDXNWHRSA-N 1 2 236.237 1.535 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444737122 387920371 /nfs/dbraw/zinc/92/03/71/387920371.db2.gz WYECMICVLDYIPW-RKDXNWHRSA-N 1 2 236.237 1.535 20 30 BDEDLO C#CCOc1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000179395494 387929164 /nfs/dbraw/zinc/92/91/64/387929164.db2.gz KGHJQXAQWMLWQE-UHFFFAOYSA-N 1 2 247.294 1.303 20 30 BDEDLO C#CCOc1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000179395494 387929166 /nfs/dbraw/zinc/92/91/66/387929166.db2.gz KGHJQXAQWMLWQE-UHFFFAOYSA-N 1 2 247.294 1.303 20 30 BDEDLO CCOC(=O)C(C)(C)[N@H+](C)CCCC#N ZINC000112356742 135026935 /nfs/dbraw/zinc/02/69/35/135026935.db2.gz UREGNJUGENNGJO-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO CCOC(=O)C(C)(C)[N@@H+](C)CCCC#N ZINC000112356742 135026936 /nfs/dbraw/zinc/02/69/36/135026936.db2.gz UREGNJUGENNGJO-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO COC[C@H]1C[N@H+](CC2(C#N)CC2)C[C@H](C)O1 ZINC000439283981 387991484 /nfs/dbraw/zinc/99/14/84/387991484.db2.gz LATPHOOEILXGSC-WDEREUQCSA-N 1 2 224.304 1.026 20 30 BDEDLO COC[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@H](C)O1 ZINC000439283981 387991488 /nfs/dbraw/zinc/99/14/88/387991488.db2.gz LATPHOOEILXGSC-WDEREUQCSA-N 1 2 224.304 1.026 20 30 BDEDLO C=CCCCNC(=O)NCc1[nH+]ccn1CC ZINC000454866150 388137863 /nfs/dbraw/zinc/13/78/63/388137863.db2.gz BAYRQKILHYGGDT-UHFFFAOYSA-N 1 2 236.319 1.668 20 30 BDEDLO C=CCC[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000455031754 388145614 /nfs/dbraw/zinc/14/56/14/388145614.db2.gz AOOHJJQIMVISJR-GFCCVEGCSA-N 1 2 249.314 1.261 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnc(OC)c(Cl)c1 ZINC000490840158 388256251 /nfs/dbraw/zinc/25/62/51/388256251.db2.gz MHCIAHQZGFBJEJ-UHFFFAOYSA-N 1 2 248.713 1.812 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C(C)C)c1 ZINC000490898205 388258822 /nfs/dbraw/zinc/25/88/22/388258822.db2.gz ILOKQYWEZIJNCL-UHFFFAOYSA-N 1 2 229.327 1.923 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn(C(C)C)c1 ZINC000490898205 388258825 /nfs/dbraw/zinc/25/88/25/388258825.db2.gz ILOKQYWEZIJNCL-UHFFFAOYSA-N 1 2 229.327 1.923 20 30 BDEDLO C=CCCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449655711 388247760 /nfs/dbraw/zinc/24/77/60/388247760.db2.gz HNYHLFRVLFPJGH-JTQLQIEISA-N 1 2 246.301 1.704 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000491308821 388284417 /nfs/dbraw/zinc/28/44/17/388284417.db2.gz WGBTWBAVHGTLJN-STQMWFEESA-N 1 2 248.370 1.589 20 30 BDEDLO C#CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000491308821 388284419 /nfs/dbraw/zinc/28/44/19/388284419.db2.gz WGBTWBAVHGTLJN-STQMWFEESA-N 1 2 248.370 1.589 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000451613817 388284462 /nfs/dbraw/zinc/28/44/62/388284462.db2.gz OMMDYBNFMNRVQD-WOPDTQHZSA-N 1 2 241.331 1.507 20 30 BDEDLO C#CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000491349596 388287737 /nfs/dbraw/zinc/28/77/37/388287737.db2.gz JCRZRCQEABLPIT-LLVKDONJSA-N 1 2 243.310 1.070 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1csc(C)c1 ZINC000491524578 388301134 /nfs/dbraw/zinc/30/11/34/388301134.db2.gz MXNINWHOJMNGPH-GFCCVEGCSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1csc(C)c1 ZINC000491524578 388301135 /nfs/dbraw/zinc/30/11/35/388301135.db2.gz MXNINWHOJMNGPH-GFCCVEGCSA-N 1 2 221.325 1.891 20 30 BDEDLO C#C[C@@H](CC)NC(=O)NCCCCn1cc[nH+]c1 ZINC000491536598 388301927 /nfs/dbraw/zinc/30/19/27/388301927.db2.gz KZUCCUGUMPYPOF-LBPRGKRZSA-N 1 2 248.330 1.374 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CCC(CC)(CC)C1=O ZINC000491535659 388302145 /nfs/dbraw/zinc/30/21/45/388302145.db2.gz DSWSKSLEEMXINC-LBPRGKRZSA-N 1 2 236.359 1.936 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CCC(CC)(CC)C1=O ZINC000491535659 388302146 /nfs/dbraw/zinc/30/21/46/388302146.db2.gz DSWSKSLEEMXINC-LBPRGKRZSA-N 1 2 236.359 1.936 20 30 BDEDLO C#C[C@@H](CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491628142 388306102 /nfs/dbraw/zinc/30/61/02/388306102.db2.gz LGTQALUYHZZHCB-MNOVXSKESA-N 1 2 219.288 1.362 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CC1CC(F)(F)C1 ZINC000491637865 388307296 /nfs/dbraw/zinc/30/72/96/388307296.db2.gz XECCZOIYXGOOPA-SNVBAGLBSA-N 1 2 215.243 1.366 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CC1CC(F)(F)C1 ZINC000491637865 388307297 /nfs/dbraw/zinc/30/72/97/388307297.db2.gz XECCZOIYXGOOPA-SNVBAGLBSA-N 1 2 215.243 1.366 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000491644076 388307645 /nfs/dbraw/zinc/30/76/45/388307645.db2.gz IOUMACOKNKOCJL-PWSUYJOCSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000491644076 388307646 /nfs/dbraw/zinc/30/76/46/388307646.db2.gz IOUMACOKNKOCJL-PWSUYJOCSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000491652305 388308087 /nfs/dbraw/zinc/30/80/87/388308087.db2.gz ASGZPDVCRVZIKQ-YPMHNXCESA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000491652305 388308088 /nfs/dbraw/zinc/30/80/88/388308088.db2.gz ASGZPDVCRVZIKQ-YPMHNXCESA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000491652304 388308265 /nfs/dbraw/zinc/30/82/65/388308265.db2.gz ASGZPDVCRVZIKQ-WCQYABFASA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000491652304 388308266 /nfs/dbraw/zinc/30/82/66/388308266.db2.gz ASGZPDVCRVZIKQ-WCQYABFASA-N 1 2 222.332 1.546 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cccn1C ZINC000491694670 388311832 /nfs/dbraw/zinc/31/18/32/388311832.db2.gz GKNZBSOSHXEYGG-JTQLQIEISA-N 1 2 204.273 1.161 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cccn1C ZINC000491694670 388311833 /nfs/dbraw/zinc/31/18/33/388311833.db2.gz GKNZBSOSHXEYGG-JTQLQIEISA-N 1 2 204.273 1.161 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491698021 388312201 /nfs/dbraw/zinc/31/22/01/388312201.db2.gz ABZSHQRNNMDXAD-MNOVXSKESA-N 1 2 248.330 1.675 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000491706395 388313241 /nfs/dbraw/zinc/31/32/41/388313241.db2.gz MUPGAPOWFQWODM-JTQLQIEISA-N 1 2 220.320 1.487 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000491706395 388313242 /nfs/dbraw/zinc/31/32/42/388313242.db2.gz MUPGAPOWFQWODM-JTQLQIEISA-N 1 2 220.320 1.487 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCSC(C)C ZINC000491749004 388317691 /nfs/dbraw/zinc/31/76/91/388317691.db2.gz FPRQNOLYSMJBPQ-LLVKDONJSA-N 1 2 213.346 1.462 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCSC(C)C ZINC000491749004 388317692 /nfs/dbraw/zinc/31/76/92/388317692.db2.gz FPRQNOLYSMJBPQ-LLVKDONJSA-N 1 2 213.346 1.462 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000491782903 388320651 /nfs/dbraw/zinc/32/06/51/388320651.db2.gz OKJFFEJJPUBLAF-LLVKDONJSA-N 1 2 231.299 1.606 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(CC)[nH+]c(C)n1 ZINC000491785155 388321085 /nfs/dbraw/zinc/32/10/85/388321085.db2.gz SDHJYPLKHXMOLI-VIFPVBQESA-N 1 2 203.289 1.805 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CC[C@@H](O)c1ccccc1 ZINC000491807008 388322003 /nfs/dbraw/zinc/32/20/03/388322003.db2.gz SDAXISUAXQARMH-LSDHHAIUSA-N 1 2 245.322 1.444 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000491807008 388322004 /nfs/dbraw/zinc/32/20/04/388322004.db2.gz SDAXISUAXQARMH-LSDHHAIUSA-N 1 2 245.322 1.444 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(C)c1nccs1 ZINC000491814214 388323063 /nfs/dbraw/zinc/32/30/63/388323063.db2.gz JDQZHLVSODQIQR-VIFPVBQESA-N 1 2 237.328 1.059 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC000491814214 388323064 /nfs/dbraw/zinc/32/30/64/388323064.db2.gz JDQZHLVSODQIQR-VIFPVBQESA-N 1 2 237.328 1.059 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000491072624 388268089 /nfs/dbraw/zinc/26/80/89/388268089.db2.gz URJJYBHDTWLPCS-BDAKNGLRSA-N 1 2 230.258 1.011 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000491072624 388268090 /nfs/dbraw/zinc/26/80/90/388268090.db2.gz URJJYBHDTWLPCS-BDAKNGLRSA-N 1 2 230.258 1.011 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000491096784 388269848 /nfs/dbraw/zinc/26/98/48/388269848.db2.gz WKHWSJRFOWOKFX-NSHDSACASA-N 1 2 230.315 1.535 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000491096784 388269849 /nfs/dbraw/zinc/26/98/49/388269849.db2.gz WKHWSJRFOWOKFX-NSHDSACASA-N 1 2 230.315 1.535 20 30 BDEDLO C#C[C@@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC000233907850 388350872 /nfs/dbraw/zinc/35/08/72/388350872.db2.gz MRWAOOXMIAEQSS-QMMMGPOBSA-N 1 2 215.260 1.187 20 30 BDEDLO CCOC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000227353608 388360409 /nfs/dbraw/zinc/36/04/09/388360409.db2.gz KZDZYYZIKCHZJX-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO N#CC[N@@H+](CCCN1CCCC1=O)C1CCCC1 ZINC000524597540 388367464 /nfs/dbraw/zinc/36/74/64/388367464.db2.gz GDHQVZYVAZUWOE-UHFFFAOYSA-N 1 2 249.358 1.767 20 30 BDEDLO N#CC[N@H+](CCCN1CCCC1=O)C1CCCC1 ZINC000524597540 388367465 /nfs/dbraw/zinc/36/74/65/388367465.db2.gz GDHQVZYVAZUWOE-UHFFFAOYSA-N 1 2 249.358 1.767 20 30 BDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000271181804 388375018 /nfs/dbraw/zinc/37/50/18/388375018.db2.gz LPBJMAOWVZKGGR-SNVBAGLBSA-N 1 2 247.298 1.204 20 30 BDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000271181804 388375019 /nfs/dbraw/zinc/37/50/19/388375019.db2.gz LPBJMAOWVZKGGR-SNVBAGLBSA-N 1 2 247.298 1.204 20 30 BDEDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000293234406 388387898 /nfs/dbraw/zinc/38/78/98/388387898.db2.gz QORZBLKOTQDOGW-VIFPVBQESA-N 1 2 241.298 1.836 20 30 BDEDLO CN(Cc1[nH+]ccn1C)Cc1ccccc1C#N ZINC000059382814 388395057 /nfs/dbraw/zinc/39/50/57/388395057.db2.gz DOTWRCPYYJTBAT-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO CC#CC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000135261592 388487831 /nfs/dbraw/zinc/48/78/31/388487831.db2.gz OSWFHFKFKYGMGF-NSHDSACASA-N 1 2 241.298 1.336 20 30 BDEDLO CC#CCCCC(=O)NCCc1c[nH+]cn1C ZINC000548132930 388515684 /nfs/dbraw/zinc/51/56/84/388515684.db2.gz WFEKWDWFIPSORZ-UHFFFAOYSA-N 1 2 233.315 1.272 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)C(C)C ZINC000245901740 388609803 /nfs/dbraw/zinc/60/98/03/388609803.db2.gz UGTAIHZEGYUBJV-NWDGAFQWSA-N 1 2 239.363 1.723 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)C(C)C ZINC000245901740 388609805 /nfs/dbraw/zinc/60/98/05/388609805.db2.gz UGTAIHZEGYUBJV-NWDGAFQWSA-N 1 2 239.363 1.723 20 30 BDEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000521267567 388671536 /nfs/dbraw/zinc/67/15/36/388671536.db2.gz SDFQJSDESSTBMI-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000521267567 388671539 /nfs/dbraw/zinc/67/15/39/388671539.db2.gz SDFQJSDESSTBMI-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO C#CC[N@@H+](Cc1nc(N(C)C)no1)C1CCCC1 ZINC000192741758 388683859 /nfs/dbraw/zinc/68/38/59/388683859.db2.gz ILOOTHBDGVVXKG-UHFFFAOYSA-N 1 2 248.330 1.513 20 30 BDEDLO C#CC[N@H+](Cc1nc(N(C)C)no1)C1CCCC1 ZINC000192741758 388683860 /nfs/dbraw/zinc/68/38/60/388683860.db2.gz ILOOTHBDGVVXKG-UHFFFAOYSA-N 1 2 248.330 1.513 20 30 BDEDLO N#CCC[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000551989697 388652884 /nfs/dbraw/zinc/65/28/84/388652884.db2.gz JGPFVEMFSIKQHS-UHFFFAOYSA-N 1 2 243.310 1.469 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCC)Cc1ccc(F)cc1 ZINC000062363856 388655644 /nfs/dbraw/zinc/65/56/44/388655644.db2.gz UGZYVKRSJRCRHZ-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO C#CC[N@H+](CC(=O)NCC)Cc1ccc(F)cc1 ZINC000062363856 388655647 /nfs/dbraw/zinc/65/56/47/388655647.db2.gz UGZYVKRSJRCRHZ-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1cnccn1 ZINC000092591118 388735252 /nfs/dbraw/zinc/73/52/52/388735252.db2.gz RTIZPTNAMIOCEV-UHFFFAOYSA-N 1 2 228.255 1.573 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1cnccn1 ZINC000092591118 388735254 /nfs/dbraw/zinc/73/52/54/388735254.db2.gz RTIZPTNAMIOCEV-UHFFFAOYSA-N 1 2 228.255 1.573 20 30 BDEDLO Cc1cc(N(C)CC2(O)CCC2)c(C#N)c[nH+]1 ZINC000425249129 388702257 /nfs/dbraw/zinc/70/22/57/388702257.db2.gz SQFNMOFFPXHGPL-UHFFFAOYSA-N 1 2 231.299 1.613 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000539424394 388759215 /nfs/dbraw/zinc/75/92/15/388759215.db2.gz LIOZWAATVPSWPE-MRVPVSSYSA-N 1 2 230.271 1.002 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CC1 ZINC000539424394 388759218 /nfs/dbraw/zinc/75/92/18/388759218.db2.gz LIOZWAATVPSWPE-MRVPVSSYSA-N 1 2 230.271 1.002 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ncn(C)n1 ZINC000391858895 388785789 /nfs/dbraw/zinc/78/57/89/388785789.db2.gz NYKHGFBVXFCPNF-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)ccc1C#N ZINC000335405552 388830115 /nfs/dbraw/zinc/83/01/15/388830115.db2.gz DGEXTTVWOAERQE-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)ccc1C#N ZINC000335405552 388830120 /nfs/dbraw/zinc/83/01/20/388830120.db2.gz DGEXTTVWOAERQE-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000565308955 388936275 /nfs/dbraw/zinc/93/62/75/388936275.db2.gz WYYDZTDAVFLYBT-OUCADQQQSA-N 1 2 249.358 1.383 20 30 BDEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000367187481 533261726 /nfs/dbraw/zinc/26/17/26/533261726.db2.gz PMFXDZBNMLBBLA-WCQYABFASA-N 1 2 245.326 1.220 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000331689960 134000948 /nfs/dbraw/zinc/00/09/48/134000948.db2.gz SLOGIUZSLXCNQB-JTQLQIEISA-N 1 2 246.314 1.493 20 30 BDEDLO C=CCN(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336019442 134054018 /nfs/dbraw/zinc/05/40/18/134054018.db2.gz DTDKJNXMJZFTOV-SECBINFHSA-N 1 2 234.303 1.094 20 30 BDEDLO C=CCN(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336019442 134054019 /nfs/dbraw/zinc/05/40/19/134054019.db2.gz DTDKJNXMJZFTOV-SECBINFHSA-N 1 2 234.303 1.094 20 30 BDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000336190299 134123345 /nfs/dbraw/zinc/12/33/45/134123345.db2.gz BAHXPJOIBGNULO-LLVKDONJSA-N 1 2 235.331 1.281 20 30 BDEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000336190299 134123346 /nfs/dbraw/zinc/12/33/46/134123346.db2.gz BAHXPJOIBGNULO-LLVKDONJSA-N 1 2 235.331 1.281 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2C2CC2)CCC1 ZINC000336196875 134127077 /nfs/dbraw/zinc/12/70/77/134127077.db2.gz CRPKUYNRTXLXRB-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2C2CC2)CCC1 ZINC000336196875 134127078 /nfs/dbraw/zinc/12/70/78/134127078.db2.gz CRPKUYNRTXLXRB-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CCC1(O)C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000336427367 134146729 /nfs/dbraw/zinc/14/67/29/134146729.db2.gz AUNMGFONXSMEAX-UHFFFAOYSA-N 1 2 241.294 1.628 20 30 BDEDLO C[C@H](C#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000336576037 134150357 /nfs/dbraw/zinc/15/03/57/134150357.db2.gz QFUWSHGQPNYRPG-SECBINFHSA-N 1 2 228.255 1.110 20 30 BDEDLO N#CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334151863 134154672 /nfs/dbraw/zinc/15/46/72/134154672.db2.gz LMJFMLBDJQFPGV-QWHCGFSZSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334151863 134154673 /nfs/dbraw/zinc/15/46/73/134154673.db2.gz LMJFMLBDJQFPGV-QWHCGFSZSA-N 1 2 234.274 1.847 20 30 BDEDLO CC[C@@H]1C[N@H+](CCCC#N)C[C@@H](C)[S@]1=O ZINC000352878783 134156573 /nfs/dbraw/zinc/15/65/73/134156573.db2.gz USDPNUWVBNLMJV-UEKVPHQBSA-N 1 2 228.361 1.522 20 30 BDEDLO CC[C@@H]1C[N@@H+](CCCC#N)C[C@@H](C)[S@]1=O ZINC000352878783 134156574 /nfs/dbraw/zinc/15/65/74/134156574.db2.gz USDPNUWVBNLMJV-UEKVPHQBSA-N 1 2 228.361 1.522 20 30 BDEDLO C=CCO[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000302127468 134157634 /nfs/dbraw/zinc/15/76/34/134157634.db2.gz FYNMKZUPBDUWDP-LLVKDONJSA-N 1 2 219.288 1.566 20 30 BDEDLO C=CCOCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000354065462 134166568 /nfs/dbraw/zinc/16/65/68/134166568.db2.gz QMQAIRKKJHKUDL-UHFFFAOYSA-N 1 2 245.282 1.153 20 30 BDEDLO C[N@H+](CC#Cc1ccccc1)Cc1cc[nH]n1 ZINC000361837455 134207958 /nfs/dbraw/zinc/20/79/58/134207958.db2.gz LVGCNIDRHMEWSE-UHFFFAOYSA-N 1 2 225.295 1.893 20 30 BDEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cc[nH]n1 ZINC000361837455 134207959 /nfs/dbraw/zinc/20/79/59/134207959.db2.gz LVGCNIDRHMEWSE-UHFFFAOYSA-N 1 2 225.295 1.893 20 30 BDEDLO C=C[C@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000362371469 134210345 /nfs/dbraw/zinc/21/03/45/134210345.db2.gz RPZGFCWXCBBFDC-JTQLQIEISA-N 1 2 234.303 1.367 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000368512789 134218592 /nfs/dbraw/zinc/21/85/92/134218592.db2.gz XJQVMSIIZTWTAP-NWDGAFQWSA-N 1 2 224.304 1.170 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000368512789 134218593 /nfs/dbraw/zinc/21/85/93/134218593.db2.gz XJQVMSIIZTWTAP-NWDGAFQWSA-N 1 2 224.304 1.170 20 30 BDEDLO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CCC#N)n1 ZINC000368689807 134220281 /nfs/dbraw/zinc/22/02/81/134220281.db2.gz RDIMJSWNBJKZJO-ZDUSSCGKSA-N 1 2 247.346 1.663 20 30 BDEDLO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CCC#N)n1 ZINC000368689807 134220282 /nfs/dbraw/zinc/22/02/82/134220282.db2.gz RDIMJSWNBJKZJO-ZDUSSCGKSA-N 1 2 247.346 1.663 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000370502561 134226535 /nfs/dbraw/zinc/22/65/35/134226535.db2.gz GNFQUZDQJMJYHJ-GHMZBOCLSA-N 1 2 237.303 1.534 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000370502561 134226536 /nfs/dbraw/zinc/22/65/36/134226536.db2.gz GNFQUZDQJMJYHJ-GHMZBOCLSA-N 1 2 237.303 1.534 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nccn1C ZINC000371507195 134228750 /nfs/dbraw/zinc/22/87/50/134228750.db2.gz YLWXRKBAIFWIAX-LLVKDONJSA-N 1 2 203.289 1.580 20 30 BDEDLO CC#CC[N@H+]1CCC[C@@H]1c1nccn1C ZINC000371507195 134228751 /nfs/dbraw/zinc/22/87/51/134228751.db2.gz YLWXRKBAIFWIAX-LLVKDONJSA-N 1 2 203.289 1.580 20 30 BDEDLO C=CCCCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000372141271 134230510 /nfs/dbraw/zinc/23/05/10/134230510.db2.gz YEJCQGOHKMRZRF-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CCCCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000372141271 134230511 /nfs/dbraw/zinc/23/05/11/134230511.db2.gz YEJCQGOHKMRZRF-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC#Cc1ccccc1 ZINC000168615489 134232060 /nfs/dbraw/zinc/23/20/60/134232060.db2.gz BJWJZZWAZMGWBC-HIFRSBDPSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC#Cc1ccccc1 ZINC000168615489 134232061 /nfs/dbraw/zinc/23/20/61/134232061.db2.gz BJWJZZWAZMGWBC-HIFRSBDPSA-N 1 2 245.322 1.120 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000374158949 134235934 /nfs/dbraw/zinc/23/59/34/134235934.db2.gz IIYMCCBOWIMNMD-NEPJUHHUSA-N 1 2 247.342 1.916 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C[C@H](C#N)CCC#N)CC2 ZINC000374693941 134238028 /nfs/dbraw/zinc/23/80/28/134238028.db2.gz MSQDREHCLPYCEP-LBPRGKRZSA-N 1 2 243.314 1.451 20 30 BDEDLO CC#CCCCC(=O)NCCCn1cc[nH+]c1 ZINC000184893826 134369927 /nfs/dbraw/zinc/36/99/27/134369927.db2.gz JPRWXSZHCFZXEN-UHFFFAOYSA-N 1 2 233.315 1.583 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000363522627 134795970 /nfs/dbraw/zinc/79/59/70/134795970.db2.gz QATVXKDUPSNGSS-LBPRGKRZSA-N 1 2 247.342 1.870 20 30 BDEDLO CC[C@@H](C)[C@@H]([NH2+]CCOCCC#N)C(=O)OC ZINC000339085634 135055223 /nfs/dbraw/zinc/05/52/23/135055223.db2.gz KJUAAVSXHRNNDJ-GHMZBOCLSA-N 1 2 242.319 1.094 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCCNC1=O ZINC000252432464 135089153 /nfs/dbraw/zinc/08/91/53/135089153.db2.gz OLNUPHXAHZTDMC-MNOVXSKESA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCCNC1=O ZINC000252432464 135089154 /nfs/dbraw/zinc/08/91/54/135089154.db2.gz OLNUPHXAHZTDMC-MNOVXSKESA-N 1 2 223.320 1.137 20 30 BDEDLO N#CCC[N@@H+](CCCCO)Cc1ccco1 ZINC000267091183 135152306 /nfs/dbraw/zinc/15/23/06/135152306.db2.gz PVLMVJMOZGGNNQ-UHFFFAOYSA-N 1 2 222.288 1.768 20 30 BDEDLO N#CCC[N@H+](CCCCO)Cc1ccco1 ZINC000267091183 135152308 /nfs/dbraw/zinc/15/23/08/135152308.db2.gz PVLMVJMOZGGNNQ-UHFFFAOYSA-N 1 2 222.288 1.768 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000295394169 135189345 /nfs/dbraw/zinc/18/93/45/135189345.db2.gz QBIULYPXJQABQS-SECBINFHSA-N 1 2 242.273 1.740 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(CC(F)F)c1 ZINC000295394169 135189347 /nfs/dbraw/zinc/18/93/47/135189347.db2.gz QBIULYPXJQABQS-SECBINFHSA-N 1 2 242.273 1.740 20 30 BDEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCOC2)c1 ZINC000298452448 135199045 /nfs/dbraw/zinc/19/90/45/135199045.db2.gz YTCGJDCZJMCKTC-CEITULEQSA-N 1 2 235.283 1.856 20 30 BDEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCOC1 ZINC000298449958 135199178 /nfs/dbraw/zinc/19/91/78/135199178.db2.gz XLEUJAKTJYTJTR-XNFYSYIQSA-N 1 2 205.257 1.848 20 30 BDEDLO C[C@@H](O)CNc1cc(NCCCCC#N)[nH+]cn1 ZINC000298372111 135199258 /nfs/dbraw/zinc/19/92/58/135199258.db2.gz UPZLVBVNDJFTMH-SNVBAGLBSA-N 1 2 249.318 1.375 20 30 BDEDLO C[C@@H](O)CNc1cc(NCCCCC#N)nc[nH+]1 ZINC000298372111 135199259 /nfs/dbraw/zinc/19/92/59/135199259.db2.gz UPZLVBVNDJFTMH-SNVBAGLBSA-N 1 2 249.318 1.375 20 30 BDEDLO Cc1nn(C)c(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000299551033 135205304 /nfs/dbraw/zinc/20/53/04/135205304.db2.gz JFRLONZIGTVODG-SECBINFHSA-N 1 2 220.320 1.628 20 30 BDEDLO Cc1nn(C)c(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000299551033 135205306 /nfs/dbraw/zinc/20/53/06/135205306.db2.gz JFRLONZIGTVODG-SECBINFHSA-N 1 2 220.320 1.628 20 30 BDEDLO Cc1nnc([C@H]2CCCC[N@@H+]2CCCC#N)[nH]1 ZINC000366717716 135231590 /nfs/dbraw/zinc/23/15/90/135231590.db2.gz KRYBKKUGYZUUGB-LLVKDONJSA-N 1 2 233.319 1.944 20 30 BDEDLO Cc1nnc([C@H]2CCCC[N@H+]2CCCC#N)[nH]1 ZINC000366717716 135231591 /nfs/dbraw/zinc/23/15/91/135231591.db2.gz KRYBKKUGYZUUGB-LLVKDONJSA-N 1 2 233.319 1.944 20 30 BDEDLO C=CC[C@@H](CO)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000341705589 135242066 /nfs/dbraw/zinc/24/20/66/135242066.db2.gz TYIUXJLKZAXNKY-LLVKDONJSA-N 1 2 249.314 1.118 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccoc1 ZINC000342637233 135299120 /nfs/dbraw/zinc/29/91/20/135299120.db2.gz MODDZJQOHGMCGQ-NSHDSACASA-N 1 2 249.314 1.472 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccoc1 ZINC000342637233 135299121 /nfs/dbraw/zinc/29/91/21/135299121.db2.gz MODDZJQOHGMCGQ-NSHDSACASA-N 1 2 249.314 1.472 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NCc1[nH]c[nH+]c1C ZINC000286114818 135372859 /nfs/dbraw/zinc/37/28/59/135372859.db2.gz NHNRXWSMLYMSMI-NSHDSACASA-N 1 2 220.276 1.274 20 30 BDEDLO C=CCCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000287867658 135594828 /nfs/dbraw/zinc/59/48/28/135594828.db2.gz FSCCWFPXWPEXIW-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO CC(C)n1cc(C[NH+]2CCC(C)(C#N)CC2)nn1 ZINC000348233589 136060955 /nfs/dbraw/zinc/06/09/55/136060955.db2.gz UAFIIKJOTIIVJI-UHFFFAOYSA-N 1 2 247.346 1.985 20 30 BDEDLO N#CC1(F)CC[NH+](Cc2cncs2)CC1 ZINC000348700015 136116612 /nfs/dbraw/zinc/11/66/12/136116612.db2.gz BHVRKCIUFHDZJD-UHFFFAOYSA-N 1 2 225.292 1.971 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N(C)[C@@H](C)C#C)nc[nH+]1 ZINC000491360268 397806063 /nfs/dbraw/zinc/80/60/63/397806063.db2.gz DTVOOMMIILYYFE-TXEJJXNPSA-N 1 2 242.326 1.392 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N(C)[C@@H](C)C#C)[nH+]cn1 ZINC000491360268 397806066 /nfs/dbraw/zinc/80/60/66/397806066.db2.gz DTVOOMMIILYYFE-TXEJJXNPSA-N 1 2 242.326 1.392 20 30 BDEDLO N#CCC[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000591765301 397934617 /nfs/dbraw/zinc/93/46/17/397934617.db2.gz FUEWGVCZHQDTRH-UHFFFAOYSA-N 1 2 229.283 1.427 20 30 BDEDLO N#CC[C@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000591975588 397940068 /nfs/dbraw/zinc/94/00/68/397940068.db2.gz HMJIDYYUNCVDOB-ZDUSSCGKSA-N 1 2 242.282 1.418 20 30 BDEDLO N#CCC1C[NH+](Cc2cnc3cnccn23)C1 ZINC000597194278 398011505 /nfs/dbraw/zinc/01/15/05/398011505.db2.gz QKGQRDQSXHCLBH-UHFFFAOYSA-N 1 2 227.271 1.075 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(F)cc1 ZINC000490854306 398028683 /nfs/dbraw/zinc/02/86/83/398028683.db2.gz ZOTBGYWGVWPQIS-UHFFFAOYSA-N 1 2 234.274 1.719 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(F)cc1 ZINC000490854306 398028686 /nfs/dbraw/zinc/02/86/86/398028686.db2.gz ZOTBGYWGVWPQIS-UHFFFAOYSA-N 1 2 234.274 1.719 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000172715865 398042724 /nfs/dbraw/zinc/04/27/24/398042724.db2.gz VNQYERWIBAPEHP-UHFFFAOYSA-N 1 2 242.322 1.468 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCCC[C@H]1C ZINC000491787464 398068847 /nfs/dbraw/zinc/06/88/47/398068847.db2.gz QNYUQTSCZFACID-CQSZACIVSA-N 1 2 246.354 1.346 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCCC[C@H]1C ZINC000491787464 398068850 /nfs/dbraw/zinc/06/88/50/398068850.db2.gz QNYUQTSCZFACID-CQSZACIVSA-N 1 2 246.354 1.346 20 30 BDEDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(C#N)s1 ZINC000120362868 398070677 /nfs/dbraw/zinc/07/06/77/398070677.db2.gz RZOBNGJSFRTHKP-UHFFFAOYSA-N 1 2 249.339 1.330 20 30 BDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(C#N)s1 ZINC000120362868 398070682 /nfs/dbraw/zinc/07/06/82/398070682.db2.gz RZOBNGJSFRTHKP-UHFFFAOYSA-N 1 2 249.339 1.330 20 30 BDEDLO C#C[C@H]1COCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000491801726 398074703 /nfs/dbraw/zinc/07/47/03/398074703.db2.gz DKRFPISHPMGTDG-LBPRGKRZSA-N 1 2 245.326 1.747 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)NCc1c[nH+]cn1C ZINC000491640794 398052348 /nfs/dbraw/zinc/05/23/48/398052348.db2.gz YZSZNNBEGQBLHB-JTQLQIEISA-N 1 2 234.303 1.021 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cccnc1=S ZINC000491666663 398056564 /nfs/dbraw/zinc/05/65/64/398056564.db2.gz MEXGRWVIKZLEHK-VIFPVBQESA-N 1 2 207.302 1.524 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cccnc1=S ZINC000491666663 398056569 /nfs/dbraw/zinc/05/65/69/398056569.db2.gz MEXGRWVIKZLEHK-VIFPVBQESA-N 1 2 207.302 1.524 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220174111 398108404 /nfs/dbraw/zinc/10/84/04/398108404.db2.gz VGXFUGPSOSMDNM-SMDDNHRTSA-N 1 2 243.310 1.683 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220174111 398108406 /nfs/dbraw/zinc/10/84/06/398108406.db2.gz VGXFUGPSOSMDNM-SMDDNHRTSA-N 1 2 243.310 1.683 20 30 BDEDLO C=C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649830521 398131401 /nfs/dbraw/zinc/13/14/01/398131401.db2.gz FBWKKFLEPXBVKK-UWVGGRQHSA-N 1 2 207.277 1.525 20 30 BDEDLO C#CCCN1CC[NH+](Cc2ncccc2C)CC1 ZINC000272019436 166137429 /nfs/dbraw/zinc/13/74/29/166137429.db2.gz MIKKLEYWCRDWTH-UHFFFAOYSA-N 1 2 243.354 1.531 20 30 BDEDLO C=CCCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660727040 409664569 /nfs/dbraw/zinc/66/45/69/409664569.db2.gz FOUJFSYCXJVDPF-UHFFFAOYSA-N 1 2 231.361 1.462 20 30 BDEDLO C#CCCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000268682737 166137787 /nfs/dbraw/zinc/13/77/87/166137787.db2.gz FITGRRQFCZSELA-AWEZNQCLSA-N 1 2 243.354 1.784 20 30 BDEDLO C#CCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267931825 166140093 /nfs/dbraw/zinc/14/00/93/166140093.db2.gz FEECMJFWKDNQQQ-UHFFFAOYSA-N 1 2 246.314 1.322 20 30 BDEDLO C#CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000264942822 166142101 /nfs/dbraw/zinc/14/21/01/166142101.db2.gz AJJAAGVBTGQXOU-UHFFFAOYSA-N 1 2 246.314 1.206 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000192229889 166158721 /nfs/dbraw/zinc/15/87/21/166158721.db2.gz FFCUPFRLSGAMNZ-UHFFFAOYSA-N 1 2 216.284 1.214 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)c1ccccc1 ZINC000192229889 166158722 /nfs/dbraw/zinc/15/87/22/166158722.db2.gz FFCUPFRLSGAMNZ-UHFFFAOYSA-N 1 2 216.284 1.214 20 30 BDEDLO C=CCC[N@@H+](C)Cc1ncnn1CCC ZINC000279113027 166259218 /nfs/dbraw/zinc/25/92/18/166259218.db2.gz RWCQNRTVAHXUQL-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO C=CCC[N@H+](C)Cc1ncnn1CCC ZINC000279113027 166259220 /nfs/dbraw/zinc/25/92/20/166259220.db2.gz RWCQNRTVAHXUQL-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO C=CC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000275209490 166322801 /nfs/dbraw/zinc/32/28/01/166322801.db2.gz RWSFGNRWPHIWLO-UHFFFAOYSA-N 1 2 206.293 1.232 20 30 BDEDLO C=CC[N@H+](C)Cc1nnc2n1CCCC2 ZINC000275209490 166322802 /nfs/dbraw/zinc/32/28/02/166322802.db2.gz RWSFGNRWPHIWLO-UHFFFAOYSA-N 1 2 206.293 1.232 20 30 BDEDLO C=CC[N@@H+](CCC#N)Cc1ccn(C)c1 ZINC000292721997 166339818 /nfs/dbraw/zinc/33/98/18/166339818.db2.gz FITZREYBCMDLGP-UHFFFAOYSA-N 1 2 203.289 1.927 20 30 BDEDLO C=CC[N@H+](CCC#N)Cc1ccn(C)c1 ZINC000292721997 166339819 /nfs/dbraw/zinc/33/98/19/166339819.db2.gz FITZREYBCMDLGP-UHFFFAOYSA-N 1 2 203.289 1.927 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)OC ZINC000272305349 166344578 /nfs/dbraw/zinc/34/45/78/166344578.db2.gz QNIGOMVWJODWES-UHFFFAOYSA-N 1 2 223.272 1.483 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)OC ZINC000272305349 166344580 /nfs/dbraw/zinc/34/45/80/166344580.db2.gz QNIGOMVWJODWES-UHFFFAOYSA-N 1 2 223.272 1.483 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)OC ZINC000299181950 166344672 /nfs/dbraw/zinc/34/46/72/166344672.db2.gz ZGIRKCPKLUCDEZ-LLVKDONJSA-N 1 2 237.299 1.872 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)OC ZINC000299181950 166344674 /nfs/dbraw/zinc/34/46/74/166344674.db2.gz ZGIRKCPKLUCDEZ-LLVKDONJSA-N 1 2 237.299 1.872 20 30 BDEDLO C=CC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000661383461 410598264 /nfs/dbraw/zinc/59/82/64/410598264.db2.gz DBOWIYNNCGZFBX-SNVBAGLBSA-N 1 2 206.293 1.593 20 30 BDEDLO C=CC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000661383461 410598269 /nfs/dbraw/zinc/59/82/69/410598269.db2.gz DBOWIYNNCGZFBX-SNVBAGLBSA-N 1 2 206.293 1.593 20 30 BDEDLO COCC#CC[NH2+][C@@H](C)c1cscn1 ZINC000661422109 410640263 /nfs/dbraw/zinc/64/02/63/410640263.db2.gz XUVKKGRFTRADQD-VIFPVBQESA-N 1 2 210.302 1.444 20 30 BDEDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000179725983 167050043 /nfs/dbraw/zinc/05/00/43/167050043.db2.gz RZUOIDTYZAJPJW-UHFFFAOYSA-N 1 2 235.287 1.108 20 30 BDEDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000179725983 167050044 /nfs/dbraw/zinc/05/00/44/167050044.db2.gz RZUOIDTYZAJPJW-UHFFFAOYSA-N 1 2 235.287 1.108 20 30 BDEDLO C=CCOCCNc1nc[nH+]c(C)c1OC ZINC000656155588 411186464 /nfs/dbraw/zinc/18/64/64/411186464.db2.gz YWLITOMBKXMGIO-UHFFFAOYSA-N 1 2 223.276 1.408 20 30 BDEDLO C=C(C)CN(C)c1nc[nH+]c(C)c1OC ZINC000656152648 411187494 /nfs/dbraw/zinc/18/74/94/411187494.db2.gz BNTQCHXNINNHGK-UHFFFAOYSA-N 1 2 207.277 1.806 20 30 BDEDLO C=CCCOCCNc1nc[nH+]c(C)c1OC ZINC000656150653 411187510 /nfs/dbraw/zinc/18/75/10/411187510.db2.gz JXGAHXGJYRGSIT-UHFFFAOYSA-N 1 2 237.303 1.798 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000653829923 411195420 /nfs/dbraw/zinc/19/54/20/411195420.db2.gz JEKGHJTWWQIDID-ZDUSSCGKSA-N 1 2 246.310 1.378 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000653829923 411195424 /nfs/dbraw/zinc/19/54/24/411195424.db2.gz JEKGHJTWWQIDID-ZDUSSCGKSA-N 1 2 246.310 1.378 20 30 BDEDLO C#CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267786650 411230262 /nfs/dbraw/zinc/23/02/62/411230262.db2.gz VJVDMEWFCQKHKJ-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO C#CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267786650 411230264 /nfs/dbraw/zinc/23/02/64/411230264.db2.gz VJVDMEWFCQKHKJ-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCC(C)C)nn1 ZINC000656442705 411261473 /nfs/dbraw/zinc/26/14/73/411261473.db2.gz UTORLZBJCFSWLX-UHFFFAOYSA-N 1 2 220.320 1.437 20 30 BDEDLO C=CCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000658116187 411249084 /nfs/dbraw/zinc/24/90/84/411249084.db2.gz ZLYVFYPTVGGBHP-NSHDSACASA-N 1 2 229.287 1.455 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCCC)nn1 ZINC000656442930 411250986 /nfs/dbraw/zinc/25/09/86/411250986.db2.gz KBVOHKKNQCQFBP-UHFFFAOYSA-N 1 2 206.293 1.191 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)CCOCC)nn1 ZINC000653596870 411430314 /nfs/dbraw/zinc/43/03/14/411430314.db2.gz RADCSVNYPBGUEY-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)CCOCC)nn1 ZINC000653596870 411430317 /nfs/dbraw/zinc/43/03/17/411430317.db2.gz RADCSVNYPBGUEY-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)Nc1cnccn1 ZINC000659836899 411469693 /nfs/dbraw/zinc/46/96/93/411469693.db2.gz BYGWMQNLTGWOTM-UHFFFAOYSA-N 1 2 232.287 1.089 20 30 BDEDLO C=CCCn1cc(C[NH2+][C@H](C)CF)nn1 ZINC000657466393 411520044 /nfs/dbraw/zinc/52/00/44/411520044.db2.gz ICKORFIYHLVBOC-SECBINFHSA-N 1 2 212.272 1.302 20 30 BDEDLO CCOC(=O)N1CCC([NH2+][C@H](C)C#N)CC1 ZINC000020177590 170239334 /nfs/dbraw/zinc/23/93/34/170239334.db2.gz QZUSRKOQNSBDRS-SECBINFHSA-N 1 2 225.292 1.109 20 30 BDEDLO CCOC1C[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000297481162 170337118 /nfs/dbraw/zinc/33/71/18/170337118.db2.gz SFUXULWQLYEAEQ-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660431476 411583549 /nfs/dbraw/zinc/58/35/49/411583549.db2.gz ZJZSVFVFNAYXHC-NSHDSACASA-N 1 2 246.314 1.456 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cnccn1 ZINC000660431476 411583550 /nfs/dbraw/zinc/58/35/50/411583550.db2.gz ZJZSVFVFNAYXHC-NSHDSACASA-N 1 2 246.314 1.456 20 30 BDEDLO C=C(C)CC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660727351 411619579 /nfs/dbraw/zinc/61/95/79/411619579.db2.gz GNMUQYTXBHLTLD-UHFFFAOYSA-N 1 2 217.334 1.072 20 30 BDEDLO C=CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043358 411691666 /nfs/dbraw/zinc/69/16/66/411691666.db2.gz AEAVJLSRQIKTTP-JTQLQIEISA-N 1 2 234.303 1.073 20 30 BDEDLO C=CC[N@H+](Cc1cc2n(n1)CCC2)[C@H](C)COC ZINC000661241189 411741391 /nfs/dbraw/zinc/74/13/91/411741391.db2.gz XUPBDCJQVJGTNJ-GFCCVEGCSA-N 1 2 249.358 1.852 20 30 BDEDLO C=CC[N@@H+](Cc1cc2n(n1)CCC2)[C@H](C)COC ZINC000661241189 411741392 /nfs/dbraw/zinc/74/13/92/411741392.db2.gz XUPBDCJQVJGTNJ-GFCCVEGCSA-N 1 2 249.358 1.852 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(CC)o1)[C@@H](C)COC ZINC000661247090 411742383 /nfs/dbraw/zinc/74/23/83/411742383.db2.gz MHEWNMYCVJALDZ-JTQLQIEISA-N 1 2 239.319 1.655 20 30 BDEDLO C=CC[N@H+](Cc1nnc(CC)o1)[C@@H](C)COC ZINC000661247090 411742387 /nfs/dbraw/zinc/74/23/87/411742387.db2.gz MHEWNMYCVJALDZ-JTQLQIEISA-N 1 2 239.319 1.655 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000663939180 411783337 /nfs/dbraw/zinc/78/33/37/411783337.db2.gz YIDPNSXPRNBPNJ-ZDUSSCGKSA-N 1 2 236.359 1.589 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000663939180 411783343 /nfs/dbraw/zinc/78/33/43/411783343.db2.gz YIDPNSXPRNBPNJ-ZDUSSCGKSA-N 1 2 236.359 1.589 20 30 BDEDLO CN1CC[N@H+](CC#Cc2ccccc2)CCC1=O ZINC000661806563 411888265 /nfs/dbraw/zinc/88/82/65/411888265.db2.gz LFGMORSFELSZKU-UHFFFAOYSA-N 1 2 242.322 1.202 20 30 BDEDLO CN1CC[N@@H+](CC#Cc2ccccc2)CCC1=O ZINC000661806563 411888266 /nfs/dbraw/zinc/88/82/66/411888266.db2.gz LFGMORSFELSZKU-UHFFFAOYSA-N 1 2 242.322 1.202 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000662163776 412014282 /nfs/dbraw/zinc/01/42/82/412014282.db2.gz JSZMDHAMDMXGBB-MRVPVSSYSA-N 1 2 225.292 1.004 20 30 BDEDLO COCC#CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000664848385 412031025 /nfs/dbraw/zinc/03/10/25/412031025.db2.gz VWWUDULFROQOPZ-CYBMUJFWSA-N 1 2 223.316 1.137 20 30 BDEDLO COCC#CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000664848385 412031028 /nfs/dbraw/zinc/03/10/28/412031028.db2.gz VWWUDULFROQOPZ-CYBMUJFWSA-N 1 2 223.316 1.137 20 30 BDEDLO C=CC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231908 412033182 /nfs/dbraw/zinc/03/31/82/412033182.db2.gz TZWKLNUIVWWLBM-MRVPVSSYSA-N 1 2 209.211 1.826 20 30 BDEDLO C=CC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231908 412033184 /nfs/dbraw/zinc/03/31/84/412033184.db2.gz TZWKLNUIVWWLBM-MRVPVSSYSA-N 1 2 209.211 1.826 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000125546107 171087778 /nfs/dbraw/zinc/08/77/78/171087778.db2.gz UYFWWKKLQGXNNL-SNVBAGLBSA-N 1 2 220.272 1.762 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000125546107 171087780 /nfs/dbraw/zinc/08/77/80/171087780.db2.gz UYFWWKKLQGXNNL-SNVBAGLBSA-N 1 2 220.272 1.762 20 30 BDEDLO CC[C@H](C#N)Sc1nc(N)cc(C)[nH+]1 ZINC000148612207 171221030 /nfs/dbraw/zinc/22/10/30/171221030.db2.gz KBZZYKZJORILFR-SSDOTTSWSA-N 1 2 208.290 1.762 20 30 BDEDLO CCn1cc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000352831399 172172829 /nfs/dbraw/zinc/17/28/29/172172829.db2.gz GUDCKNJKZCVMAH-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO CCn1cc[nH+]c1CNc1cccc(C#N)n1 ZINC000294955359 172226095 /nfs/dbraw/zinc/22/60/95/172226095.db2.gz JJMQECFTCUBKNP-UHFFFAOYSA-N 1 2 227.271 1.782 20 30 BDEDLO CN(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250230 172363988 /nfs/dbraw/zinc/36/39/88/172363988.db2.gz LMZBIOWXBHKANC-UHFFFAOYSA-N 1 2 225.336 1.336 20 30 BDEDLO CN(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250230 172363989 /nfs/dbraw/zinc/36/39/89/172363989.db2.gz LMZBIOWXBHKANC-UHFFFAOYSA-N 1 2 225.336 1.336 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCNC(=O)C1 ZINC000118390598 177032829 /nfs/dbraw/zinc/03/28/29/177032829.db2.gz IMYZDQUICRNOGM-SNVBAGLBSA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCNC(=O)C1 ZINC000118390598 177032831 /nfs/dbraw/zinc/03/28/31/177032831.db2.gz IMYZDQUICRNOGM-SNVBAGLBSA-N 1 2 229.283 1.051 20 30 BDEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)o2)[C@@H]1C ZINC000093418053 177398485 /nfs/dbraw/zinc/39/84/85/177398485.db2.gz VLUQBZUIDWTUKQ-NXEZZACHSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1C ZINC000093418053 177398486 /nfs/dbraw/zinc/39/84/86/177398486.db2.gz VLUQBZUIDWTUKQ-NXEZZACHSA-N 1 2 220.272 1.760 20 30 BDEDLO C=CCCOCc1nc(Cc2c[nH+]cn2C)no1 ZINC000680806725 487649020 /nfs/dbraw/zinc/64/90/20/487649020.db2.gz JRTKYZPHIREYGW-UHFFFAOYSA-N 1 2 248.286 1.487 20 30 BDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CCC#N)C1 ZINC000497059699 226321475 /nfs/dbraw/zinc/32/14/75/226321475.db2.gz YHKMSCWWZMGGLK-JTQLQIEISA-N 1 2 225.292 1.063 20 30 BDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000497059699 226321476 /nfs/dbraw/zinc/32/14/76/226321476.db2.gz YHKMSCWWZMGGLK-JTQLQIEISA-N 1 2 225.292 1.063 20 30 BDEDLO Cc1cc(NC[C@@H](CO)C(C)C)c(C#N)c[nH+]1 ZINC000398980003 262773304 /nfs/dbraw/zinc/77/33/04/262773304.db2.gz FKYZDKMHALWXSQ-LBPRGKRZSA-N 1 2 233.315 1.360 20 30 BDEDLO CCC[C@H](CCO)CNc1cc(C)[nH+]cc1C#N ZINC000399017191 262774401 /nfs/dbraw/zinc/77/44/01/262774401.db2.gz CQONRADYWRGNGC-GFCCVEGCSA-N 1 2 247.342 1.894 20 30 BDEDLO COCCCCNc1cc(C)[nH+]cc1C#N ZINC000399604940 262840853 /nfs/dbraw/zinc/84/08/53/262840853.db2.gz UXDCOHCXIFWRTL-UHFFFAOYSA-N 1 2 219.288 1.522 20 30 BDEDLO Cc1ccc(C#N)c(NCCc2cn(C)c[nH+]2)n1 ZINC000313480040 267377907 /nfs/dbraw/zinc/37/79/07/267377907.db2.gz GBMYDNPXZKPSES-UHFFFAOYSA-N 1 2 241.298 1.650 20 30 BDEDLO C=C[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665706040 487735869 /nfs/dbraw/zinc/73/58/69/487735869.db2.gz JLWFWHXMBPETTF-SSDOTTSWSA-N 1 2 206.249 1.267 20 30 BDEDLO C=C[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665706040 487735875 /nfs/dbraw/zinc/73/58/75/487735875.db2.gz JLWFWHXMBPETTF-SSDOTTSWSA-N 1 2 206.249 1.267 20 30 BDEDLO C=CCCOCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000682041071 487776994 /nfs/dbraw/zinc/77/69/94/487776994.db2.gz JPPVHSLJCLSWMJ-SNVBAGLBSA-N 1 2 237.303 1.570 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C(C)C ZINC000300891771 585702854 /nfs/dbraw/zinc/70/28/54/585702854.db2.gz JZKQHDTWLMPCSN-QWRGUYRKSA-N 1 2 225.332 1.964 20 30 BDEDLO C=CCCCC[C@@H](C)[NH2+]CC(=O)NOCC ZINC000846090045 588256123 /nfs/dbraw/zinc/25/61/23/588256123.db2.gz CLVUTHYMHFSOCI-LLVKDONJSA-N 1 2 228.336 1.779 20 30 BDEDLO CNC(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000569351258 322962194 /nfs/dbraw/zinc/96/21/94/322962194.db2.gz WAMKWZVOFAQKPC-UHFFFAOYSA-N 1 2 217.272 1.049 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CCC1=O ZINC000229511673 487923060 /nfs/dbraw/zinc/92/30/60/487923060.db2.gz GTLBEBLCQOUZOQ-SNVBAGLBSA-N 1 2 206.289 1.591 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCC1=O ZINC000229511673 487923065 /nfs/dbraw/zinc/92/30/65/487923065.db2.gz GTLBEBLCQOUZOQ-SNVBAGLBSA-N 1 2 206.289 1.591 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CC(C)(C)O1 ZINC000562382990 323018752 /nfs/dbraw/zinc/01/87/52/323018752.db2.gz GMBIBWLWORABCQ-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC(C)(C)O1 ZINC000562382990 323018753 /nfs/dbraw/zinc/01/87/53/323018753.db2.gz GMBIBWLWORABCQ-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000491731742 323082449 /nfs/dbraw/zinc/08/24/49/323082449.db2.gz MPNJFFVUYFFZJB-SECBINFHSA-N 1 2 219.288 1.198 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000491731742 323082450 /nfs/dbraw/zinc/08/24/50/323082450.db2.gz MPNJFFVUYFFZJB-SECBINFHSA-N 1 2 219.288 1.198 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\C1CCCC1 ZINC000493692929 323087149 /nfs/dbraw/zinc/08/71/49/323087149.db2.gz MSXYKTWTHMPSHL-CKXPSTMWSA-N 1 2 249.358 1.693 20 30 BDEDLO Cc1c(C[N@H+](C)C[C@H](C#N)CCC#N)cnn1C ZINC000571252287 323139180 /nfs/dbraw/zinc/13/91/80/323139180.db2.gz KLKPATKPOBHVEG-LBPRGKRZSA-N 1 2 245.330 1.604 20 30 BDEDLO Cc1c(C[N@@H+](C)C[C@H](C#N)CCC#N)cnn1C ZINC000571252287 323139181 /nfs/dbraw/zinc/13/91/81/323139181.db2.gz KLKPATKPOBHVEG-LBPRGKRZSA-N 1 2 245.330 1.604 20 30 BDEDLO C#CCN(Cc1[nH+]ccn1CC)C1CC1 ZINC000491765038 324160584 /nfs/dbraw/zinc/16/05/84/324160584.db2.gz BKKKPTFCKZJCOI-UHFFFAOYSA-N 1 2 203.289 1.501 20 30 BDEDLO N#CCCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000544114160 325132044 /nfs/dbraw/zinc/13/20/44/325132044.db2.gz FWKMKLVFFKWLLY-UHFFFAOYSA-N 1 2 249.318 1.266 20 30 BDEDLO CC#CCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000544607794 325151508 /nfs/dbraw/zinc/15/15/08/325151508.db2.gz FPCYUZRKZWSJQH-UHFFFAOYSA-N 1 2 231.299 1.655 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000076185595 325335229 /nfs/dbraw/zinc/33/52/29/325335229.db2.gz JEBOLKDRUSBBOU-KBPBESRZSA-N 1 2 246.354 1.059 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547352745 325346459 /nfs/dbraw/zinc/34/64/59/325346459.db2.gz LJDPJDMYDBABCO-LLVKDONJSA-N 1 2 233.315 1.869 20 30 BDEDLO C=CCC[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000077244945 325370897 /nfs/dbraw/zinc/37/08/97/325370897.db2.gz CSSNOUIXFFZYST-UHFFFAOYSA-N 1 2 229.287 1.959 20 30 BDEDLO CO[C@H](CC(C)C)C[NH+]1CC(C)(C#N)C1 ZINC000566017618 325985311 /nfs/dbraw/zinc/98/53/11/325985311.db2.gz FODKLNKXAVMIIG-LLVKDONJSA-N 1 2 210.321 1.893 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCC1 ZINC000567995284 326294082 /nfs/dbraw/zinc/29/40/82/326294082.db2.gz GWOJEQLWHQVZNI-GFCCVEGCSA-N 1 2 223.320 1.137 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCC1 ZINC000568189839 326323490 /nfs/dbraw/zinc/32/34/90/326323490.db2.gz UQVNYFBHBKTEAN-SECBINFHSA-N 1 2 232.287 1.151 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCC1 ZINC000568189839 326323491 /nfs/dbraw/zinc/32/34/91/326323491.db2.gz UQVNYFBHBKTEAN-SECBINFHSA-N 1 2 232.287 1.151 20 30 BDEDLO C=CC1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000568878963 326380663 /nfs/dbraw/zinc/38/06/63/326380663.db2.gz BTHKZBISYRLOTN-UHFFFAOYSA-N 1 2 234.303 1.470 20 30 BDEDLO C=CC1CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000568878963 326380664 /nfs/dbraw/zinc/38/06/64/326380664.db2.gz BTHKZBISYRLOTN-UHFFFAOYSA-N 1 2 234.303 1.470 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000192226827 487991834 /nfs/dbraw/zinc/99/18/34/487991834.db2.gz MOVFPMSAZDVYCL-UHFFFAOYSA-N 1 2 248.301 1.315 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000192226827 487991840 /nfs/dbraw/zinc/99/18/40/487991840.db2.gz MOVFPMSAZDVYCL-UHFFFAOYSA-N 1 2 248.301 1.315 20 30 BDEDLO CCOC[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602914276 488001040 /nfs/dbraw/zinc/00/10/40/488001040.db2.gz CXYLIWKUQNPAOS-LBPRGKRZSA-N 1 2 238.331 1.418 20 30 BDEDLO CCOC[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602914276 488001044 /nfs/dbraw/zinc/00/10/44/488001044.db2.gz CXYLIWKUQNPAOS-LBPRGKRZSA-N 1 2 238.331 1.418 20 30 BDEDLO C=CCCCN(C)c1cc(CO)cc[nH+]1 ZINC000220295633 487496098 /nfs/dbraw/zinc/49/60/98/487496098.db2.gz DGTSNKYQVCTLES-UHFFFAOYSA-N 1 2 206.289 1.976 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000491641106 491079664 /nfs/dbraw/zinc/07/96/64/491079664.db2.gz ZXFHFWJPGOSOOS-ZJUUUORDSA-N 1 2 248.153 1.904 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000491641106 491079665 /nfs/dbraw/zinc/07/96/65/491079665.db2.gz ZXFHFWJPGOSOOS-ZJUUUORDSA-N 1 2 248.153 1.904 20 30 BDEDLO Cc1nc(NCc2ccc(N)[nH+]c2)ccc1C#N ZINC000308392781 491101123 /nfs/dbraw/zinc/10/11/23/491101123.db2.gz PZKBREVPGOPMHW-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C=C1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000653174262 491127990 /nfs/dbraw/zinc/12/79/90/491127990.db2.gz YPDLSWVZBGHNRB-JTQLQIEISA-N 1 2 237.328 1.322 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000273816453 535725801 /nfs/dbraw/zinc/72/58/01/535725801.db2.gz CACPILYXHVGPHV-NSHDSACASA-N 1 2 233.319 1.324 20 30 BDEDLO C=CC[C@H](CO)CNc1cc[nH+]c(C(C)C)n1 ZINC000340892761 534382188 /nfs/dbraw/zinc/38/21/88/534382188.db2.gz JNWKLHSNEQHCEB-NSHDSACASA-N 1 2 235.331 1.618 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119471071 534494457 /nfs/dbraw/zinc/49/44/57/534494457.db2.gz IUFSXZOPMXRWOS-NXEZZACHSA-N 1 2 219.288 1.136 20 30 BDEDLO C=C[C@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000357608428 534685468 /nfs/dbraw/zinc/68/54/68/534685468.db2.gz ROQMPTQDOQKIRV-SNVBAGLBSA-N 1 2 234.303 1.036 20 30 BDEDLO C=C[C@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000357608428 534685474 /nfs/dbraw/zinc/68/54/74/534685474.db2.gz ROQMPTQDOQKIRV-SNVBAGLBSA-N 1 2 234.303 1.036 20 30 BDEDLO C=CCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458725299 582867350 /nfs/dbraw/zinc/86/73/50/582867350.db2.gz MLLLPLXKSZRHKE-UHFFFAOYSA-N 1 2 236.319 1.228 20 30 BDEDLO C=CCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000341427705 534772072 /nfs/dbraw/zinc/77/20/72/534772072.db2.gz RCFIPCQMACTNIV-UHFFFAOYSA-N 1 2 221.308 1.258 20 30 BDEDLO C=CCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000341427705 534772077 /nfs/dbraw/zinc/77/20/77/534772077.db2.gz RCFIPCQMACTNIV-UHFFFAOYSA-N 1 2 221.308 1.258 20 30 BDEDLO C=CCCOCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227771529 534778986 /nfs/dbraw/zinc/77/89/86/534778986.db2.gz ZUHVAEYAQXAOCS-NSHDSACASA-N 1 2 227.304 1.120 20 30 BDEDLO C=CC[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000372456613 534853045 /nfs/dbraw/zinc/85/30/45/534853045.db2.gz TYEXYZBVAKFYEP-WDEREUQCSA-N 1 2 249.314 1.895 20 30 BDEDLO C=CC[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000372456613 534853049 /nfs/dbraw/zinc/85/30/49/534853049.db2.gz TYEXYZBVAKFYEP-WDEREUQCSA-N 1 2 249.314 1.895 20 30 BDEDLO C=CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372440197 534862907 /nfs/dbraw/zinc/86/29/07/534862907.db2.gz PEBPOLUXCPLJST-SNVBAGLBSA-N 1 2 247.342 1.940 20 30 BDEDLO C=CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372440197 534862910 /nfs/dbraw/zinc/86/29/10/534862910.db2.gz PEBPOLUXCPLJST-SNVBAGLBSA-N 1 2 247.342 1.940 20 30 BDEDLO C=C(C)CN(CC)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488397635 526548678 /nfs/dbraw/zinc/54/86/78/526548678.db2.gz NVAVFABUNIHPRD-UHFFFAOYSA-N 1 2 235.335 1.648 20 30 BDEDLO C=C(C)CN(CC)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488397635 526548683 /nfs/dbraw/zinc/54/86/83/526548683.db2.gz NVAVFABUNIHPRD-UHFFFAOYSA-N 1 2 235.335 1.648 20 30 BDEDLO C=C(C)COCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493477683 526628442 /nfs/dbraw/zinc/62/84/42/526628442.db2.gz GJMDFBYXJUTRIB-ARJAWSKDSA-N 1 2 235.287 1.132 20 30 BDEDLO CC(C)(CC#N)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493839956 526950564 /nfs/dbraw/zinc/95/05/64/526950564.db2.gz UZWJSWRRBVWSET-ONEGZZNKSA-N 1 2 232.287 1.479 20 30 BDEDLO C=CCCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492764624 527200007 /nfs/dbraw/zinc/20/00/07/527200007.db2.gz PUKWCDUXJYPYCW-BQYQJAHWSA-N 1 2 233.315 1.999 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491451642 527250463 /nfs/dbraw/zinc/25/04/63/527250463.db2.gz GZTXRTYERNUFNL-NEPJUHHUSA-N 1 2 233.315 1.752 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000491639143 527256288 /nfs/dbraw/zinc/25/62/88/527256288.db2.gz YJVAQSIGQVXENE-NEPJUHHUSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC000491505922 527267460 /nfs/dbraw/zinc/26/74/60/527267460.db2.gz NPXYBZHOCQQGRP-NWDGAFQWSA-N 1 2 233.315 1.608 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000491638623 527332483 /nfs/dbraw/zinc/33/24/83/527332483.db2.gz ZLLIIDDFAKVSSM-QWHCGFSZSA-N 1 2 236.359 1.792 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000491638623 527332488 /nfs/dbraw/zinc/33/24/88/527332488.db2.gz ZLLIIDDFAKVSSM-QWHCGFSZSA-N 1 2 236.359 1.792 20 30 BDEDLO C=C[C@@H](C)ONC(=O)/C=C\c1[nH+]ccn1CC ZINC000493151045 527418479 /nfs/dbraw/zinc/41/84/79/527418479.db2.gz LXYAVYGVNARETA-JYESYGNLSA-N 1 2 235.287 1.539 20 30 BDEDLO C[N@H+](CCC#N)[C@H](CO)c1ccccc1 ZINC000264028402 536301730 /nfs/dbraw/zinc/30/17/30/536301730.db2.gz OMLGAMSKWGJPCY-GFCCVEGCSA-N 1 2 204.273 1.565 20 30 BDEDLO C[N@@H+](CCC#N)[C@H](CO)c1ccccc1 ZINC000264028402 536301732 /nfs/dbraw/zinc/30/17/32/536301732.db2.gz OMLGAMSKWGJPCY-GFCCVEGCSA-N 1 2 204.273 1.565 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000267594347 536300219 /nfs/dbraw/zinc/30/02/19/536300219.db2.gz JYOZRCWLSJVQPA-GFCCVEGCSA-N 1 2 222.263 1.705 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000267594347 536300223 /nfs/dbraw/zinc/30/02/23/536300223.db2.gz JYOZRCWLSJVQPA-GFCCVEGCSA-N 1 2 222.263 1.705 20 30 BDEDLO COC[C@@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000299240210 536866870 /nfs/dbraw/zinc/86/68/70/536866870.db2.gz JTARTEGWWLZUTG-PBJWJZLWSA-N 1 2 223.272 1.799 20 30 BDEDLO C#CCN(CC#CC)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894033127 583277508 /nfs/dbraw/zinc/27/75/08/583277508.db2.gz AHCPNIHXWPDJCI-UHFFFAOYSA-N 1 2 229.327 1.992 20 30 BDEDLO C#CC[NH+](CC#C)Cc1[nH]nc(C)c1C ZINC000894032649 583277173 /nfs/dbraw/zinc/27/71/73/583277173.db2.gz QDWIRYUFBGZWIG-UHFFFAOYSA-N 1 2 201.273 1.095 20 30 BDEDLO COC(=O)N(C)CC/[NH+]=C\c1ccccc1O ZINC000852998274 588714988 /nfs/dbraw/zinc/71/49/88/588714988.db2.gz JUMAPGWOCNZILN-LCYFTJDESA-N 1 2 236.271 1.509 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N(C)CCO ZINC000853082551 588718817 /nfs/dbraw/zinc/71/88/17/588718817.db2.gz JNYKHUQNYMNBTK-UHFFFAOYSA-N 1 2 234.299 1.302 20 30 BDEDLO CC(C)n1cc[nH+]c1CN=Nc1cnccn1 ZINC000853290196 588730922 /nfs/dbraw/zinc/73/09/22/588730922.db2.gz XRWHHHNZZOGMSE-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO Cc1[nH]c(CN=Nc2cc(C)ncn2)[nH+]c1C ZINC000853306776 588731656 /nfs/dbraw/zinc/73/16/56/588731656.db2.gz ZEUYEUFPPMZYAJ-UHFFFAOYSA-N 1 2 230.275 1.571 20 30 BDEDLO Cc1[nH+]cc(C=NNCCOC(C)C)n1C ZINC000853329073 588733486 /nfs/dbraw/zinc/73/34/86/588733486.db2.gz WGLOLOHIWQOXOE-UHFFFAOYSA-N 1 2 224.308 1.077 20 30 BDEDLO Cc1[nH+]cc(C=NOCCC2CC2)n1C ZINC000853351602 588735054 /nfs/dbraw/zinc/73/50/54/588735054.db2.gz NDWLWEYYGBBPLG-UHFFFAOYSA-N 1 2 207.277 1.879 20 30 BDEDLO Cc1[nH+]cc(C=NNCCc2ccccn2)n1C ZINC000853342115 588735420 /nfs/dbraw/zinc/73/54/20/588735420.db2.gz DCJYPZPNWGTLPJ-UHFFFAOYSA-N 1 2 243.314 1.290 20 30 BDEDLO Cl/C=C\CON=Cc1c[nH+]c2n1CCC2 ZINC000853347657 588736249 /nfs/dbraw/zinc/73/62/49/588736249.db2.gz NDNJUNJFNPCJTM-DOSOMBFBSA-N 1 2 225.679 1.932 20 30 BDEDLO CC(=NOCc1ccc[nH+]c1N)c1cnn(C)c1 ZINC000853661571 588753576 /nfs/dbraw/zinc/75/35/76/588753576.db2.gz XYADXHIQYSKLHN-UHFFFAOYSA-N 1 2 245.286 1.338 20 30 BDEDLO C#C[C@@H](Nc1cc(C)[nH+]cn1)C1CCOCC1 ZINC000853919487 588768914 /nfs/dbraw/zinc/76/89/14/588768914.db2.gz FGQXFVLUYKOXGE-GFCCVEGCSA-N 1 2 231.299 1.625 20 30 BDEDLO C=C[C@H](C)ONC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000854219666 588779970 /nfs/dbraw/zinc/77/99/70/588779970.db2.gz SRFVOLDBHBVEFN-IUCAKERBSA-N 1 2 238.291 1.286 20 30 BDEDLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000113243121 588827917 /nfs/dbraw/zinc/82/79/17/588827917.db2.gz HUEDTVVSVNSPDY-ZDUSSCGKSA-N 1 2 249.358 1.684 20 30 BDEDLO CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000113243120 588827939 /nfs/dbraw/zinc/82/79/39/588827939.db2.gz HUEDTVVSVNSPDY-CYBMUJFWSA-N 1 2 249.358 1.684 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000890549438 582471686 /nfs/dbraw/zinc/47/16/86/582471686.db2.gz MTEGGIUBZKTKIP-NSHDSACASA-N 1 2 233.315 1.692 20 30 BDEDLO CC[C@@H](O)CNN=Cc1cccc2[nH+]ccn21 ZINC000811653270 582483329 /nfs/dbraw/zinc/48/33/29/582483329.db2.gz BVVPQVQFBFFQKV-LLVKDONJSA-N 1 2 232.287 1.029 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)CNc1cccc[nH+]1 ZINC000890654758 582493709 /nfs/dbraw/zinc/49/37/09/582493709.db2.gz HLROKRLMSZMVGF-LBPRGKRZSA-N 1 2 243.310 1.508 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000890654451 582493875 /nfs/dbraw/zinc/49/38/75/582493875.db2.gz CFHHHILGQVIHQG-YPMHNXCESA-N 1 2 245.326 1.603 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000890654451 582493876 /nfs/dbraw/zinc/49/38/76/582493876.db2.gz CFHHHILGQVIHQG-YPMHNXCESA-N 1 2 245.326 1.603 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn2ccnc2s1 ZINC000891715550 582713255 /nfs/dbraw/zinc/71/32/55/582713255.db2.gz DSMYVOLPJYMVPI-VIFPVBQESA-N 1 2 234.328 1.987 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn2ccnc2s1 ZINC000891715550 582713257 /nfs/dbraw/zinc/71/32/57/582713257.db2.gz DSMYVOLPJYMVPI-VIFPVBQESA-N 1 2 234.328 1.987 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccn(C)n1 ZINC000848416461 582774353 /nfs/dbraw/zinc/77/43/53/582774353.db2.gz LXDHSJKRSYKJPH-UHFFFAOYSA-N 1 2 246.318 1.021 20 30 BDEDLO Cc1cccn2c(NC(=O)C#CC3CC3)c[nH+]c12 ZINC000855902846 588853341 /nfs/dbraw/zinc/85/33/41/588853341.db2.gz NFTXOBYSCUXZPY-UHFFFAOYSA-N 1 2 239.278 1.995 20 30 BDEDLO C=CCCONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000856027180 588855383 /nfs/dbraw/zinc/85/53/83/588855383.db2.gz CKCNLRPTMUSUBC-JTQLQIEISA-N 1 2 223.276 1.458 20 30 BDEDLO C=CCCONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000856027181 588855502 /nfs/dbraw/zinc/85/55/02/588855502.db2.gz CKCNLRPTMUSUBC-SNVBAGLBSA-N 1 2 223.276 1.458 20 30 BDEDLO Nc1ncccc1C=[NH+]Nc1ccnc(F)c1 ZINC000781126967 582850696 /nfs/dbraw/zinc/85/06/96/582850696.db2.gz IFGDWBSRGORINW-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO O=C(NO)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000782169728 582868235 /nfs/dbraw/zinc/86/82/35/582868235.db2.gz RATDEQZFPWLNFR-UHFFFAOYSA-N 1 2 217.228 1.050 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856282226 588867347 /nfs/dbraw/zinc/86/73/47/588867347.db2.gz VVLPNMDYNIXFSD-QMMMGPOBSA-N 1 2 243.257 1.809 20 30 BDEDLO CC1(C#N)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893111995 583050947 /nfs/dbraw/zinc/05/09/47/583050947.db2.gz UYDMZUWHNRCVQO-UHFFFAOYSA-N 1 2 241.298 1.859 20 30 BDEDLO C=CC[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893161627 583060236 /nfs/dbraw/zinc/06/02/36/583060236.db2.gz CSSQDYQRXRWJOG-VHSXEESVSA-N 1 2 222.288 1.484 20 30 BDEDLO Cc1nn(C)c(C[NH2+]C[C@H](C)C#N)c1Cl ZINC000893543428 583159419 /nfs/dbraw/zinc/15/94/19/583159419.db2.gz CFTJGKRGYOXJKD-SSDOTTSWSA-N 1 2 226.711 1.631 20 30 BDEDLO CCn1cc(C[NH2+]C[C@H](C)C#N)c(C)n1 ZINC000893544035 583159967 /nfs/dbraw/zinc/15/99/67/583159967.db2.gz INVBSTYXNRGJNA-SECBINFHSA-N 1 2 206.293 1.461 20 30 BDEDLO CCN(CCC#N)Cc1c(C)cc[nH+]c1N ZINC000893924361 583249149 /nfs/dbraw/zinc/24/91/49/583249149.db2.gz RBPWHEVQPHJYAW-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](C)C[C@@H](C)C#N)C1(F)F ZINC000893994859 583267205 /nfs/dbraw/zinc/26/72/05/583267205.db2.gz KYACFNICGPRENE-YIZRAAEISA-N 1 2 246.257 1.132 20 30 BDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)C[C@@H](C)C#N)C1(F)F ZINC000893994859 583267209 /nfs/dbraw/zinc/26/72/09/583267209.db2.gz KYACFNICGPRENE-YIZRAAEISA-N 1 2 246.257 1.132 20 30 BDEDLO COC(=O)[C@@H]1[C@H](C[N@H+](C)C[C@H](C)C#N)C1(F)F ZINC000893994858 583267487 /nfs/dbraw/zinc/26/74/87/583267487.db2.gz KYACFNICGPRENE-VGMNWLOBSA-N 1 2 246.257 1.132 20 30 BDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](C)C[C@H](C)C#N)C1(F)F ZINC000893994858 583267489 /nfs/dbraw/zinc/26/74/89/583267489.db2.gz KYACFNICGPRENE-VGMNWLOBSA-N 1 2 246.257 1.132 20 30 BDEDLO C#CCN(CC#C)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894033124 583276818 /nfs/dbraw/zinc/27/68/18/583276818.db2.gz ZYLUWKWAPBOGNF-UHFFFAOYSA-N 1 2 215.300 1.602 20 30 BDEDLO N#CCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000894082286 583294391 /nfs/dbraw/zinc/29/43/91/583294391.db2.gz CENNKIDHZQCPBV-UHFFFAOYSA-N 1 2 217.228 1.537 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894077577 583297765 /nfs/dbraw/zinc/29/77/65/583297765.db2.gz FYMVLRVEPTWVPP-MNOVXSKESA-N 1 2 248.330 1.688 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894077577 583297767 /nfs/dbraw/zinc/29/77/67/583297767.db2.gz FYMVLRVEPTWVPP-MNOVXSKESA-N 1 2 248.330 1.688 20 30 BDEDLO C=CCC[C@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894112620 583308739 /nfs/dbraw/zinc/30/87/39/583308739.db2.gz IKEJBGRNCHEZAZ-GHMZBOCLSA-N 1 2 236.315 1.874 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OC ZINC000877583213 583337244 /nfs/dbraw/zinc/33/72/44/583337244.db2.gz MRWGMUJLYUHENZ-WDEREUQCSA-N 1 2 222.288 1.081 20 30 BDEDLO Cn1cc(C[NH2+]CC2(C#N)CC2)c(C2CC2)n1 ZINC000894205237 583341725 /nfs/dbraw/zinc/34/17/25/583341725.db2.gz WPNFIFVNFPKGBY-UHFFFAOYSA-N 1 2 230.315 1.691 20 30 BDEDLO N#Cc1cc(C[NH+]2CC3(C2)CCOC3)cs1 ZINC000894648261 583499786 /nfs/dbraw/zinc/49/97/86/583499786.db2.gz CCNCUTDYFMRSSP-UHFFFAOYSA-N 1 2 234.324 1.842 20 30 BDEDLO CC1(CO)C[NH+](Cc2csc(C#N)c2)C1 ZINC000894841452 583529842 /nfs/dbraw/zinc/52/98/42/583529842.db2.gz UYOZPKSUDHJEBB-UHFFFAOYSA-N 1 2 222.313 1.434 20 30 BDEDLO C=CC(C)(C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000894956108 583558941 /nfs/dbraw/zinc/55/89/41/583558941.db2.gz UWMIFWKITYQYTG-VIFPVBQESA-N 1 2 248.330 1.531 20 30 BDEDLO C=CC(C)(C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000894956108 583558943 /nfs/dbraw/zinc/55/89/43/583558943.db2.gz UWMIFWKITYQYTG-VIFPVBQESA-N 1 2 248.330 1.531 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)[C@@H]1CCCO1 ZINC000794498078 583600510 /nfs/dbraw/zinc/60/05/10/583600510.db2.gz JRHQXFMQQCMWGW-QWRGUYRKSA-N 1 2 248.330 1.199 20 30 BDEDLO Cc1nc2ccccc2nc1C[NH2+]CCC#N ZINC000727239285 583624654 /nfs/dbraw/zinc/62/46/54/583624654.db2.gz RUIWOSIGNAJARA-UHFFFAOYSA-N 1 2 226.283 1.942 20 30 BDEDLO CC1=NO[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000895304129 583645590 /nfs/dbraw/zinc/64/55/90/583645590.db2.gz GGOXAVDJHJBGFK-SECBINFHSA-N 1 2 236.300 1.269 20 30 BDEDLO C=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895473717 583679419 /nfs/dbraw/zinc/67/94/19/583679419.db2.gz KXOJAVPGXPKAQH-NSHDSACASA-N 1 2 234.303 1.092 20 30 BDEDLO C=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895473717 583679420 /nfs/dbraw/zinc/67/94/20/583679420.db2.gz KXOJAVPGXPKAQH-NSHDSACASA-N 1 2 234.303 1.092 20 30 BDEDLO C=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000895473717 583679422 /nfs/dbraw/zinc/67/94/22/583679422.db2.gz KXOJAVPGXPKAQH-NSHDSACASA-N 1 2 234.303 1.092 20 30 BDEDLO C=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895473717 583679423 /nfs/dbraw/zinc/67/94/23/583679423.db2.gz KXOJAVPGXPKAQH-NSHDSACASA-N 1 2 234.303 1.092 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886003 588921336 /nfs/dbraw/zinc/92/13/36/588921336.db2.gz RPQGGKNDQXCDOA-MRVPVSSYSA-N 1 2 241.241 1.135 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)COC(C)=O)C(=O)OC ZINC000895755238 583720310 /nfs/dbraw/zinc/72/03/10/583720310.db2.gz XUJIVAMDYMIRRI-GXSJLCMTSA-N 1 2 243.303 1.035 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(F)nc1)C1CSC1 ZINC000895813617 583733741 /nfs/dbraw/zinc/73/37/41/583733741.db2.gz DRRIYGIYQULNIY-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@H+](Cc1ccc(F)nc1)C1CSC1 ZINC000895813617 583733742 /nfs/dbraw/zinc/73/37/42/583733742.db2.gz DRRIYGIYQULNIY-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCO)C(=O)OCC ZINC000896004136 583762407 /nfs/dbraw/zinc/76/24/07/583762407.db2.gz PVXCMWMKZCOTOT-QWRGUYRKSA-N 1 2 229.320 1.245 20 30 BDEDLO C=C(C)C[C@@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000896034676 583764664 /nfs/dbraw/zinc/76/46/64/583764664.db2.gz DPIMXIURQRKDKJ-MNOVXSKESA-N 1 2 243.347 1.633 20 30 BDEDLO C#CCC(CC#C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979420 588927618 /nfs/dbraw/zinc/92/76/18/588927618.db2.gz OPDKAGVSOZSBLS-LBPRGKRZSA-N 1 2 241.294 1.107 20 30 BDEDLO C=CCCOCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984184 588928809 /nfs/dbraw/zinc/92/88/09/588928809.db2.gz HHQVRKNYIFQXDH-JTQLQIEISA-N 1 2 235.287 1.037 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN1CCC[C@@H](C#N)C1 ZINC000896500738 583807169 /nfs/dbraw/zinc/80/71/69/583807169.db2.gz JONZQUBSADHFBT-NSHDSACASA-N 1 2 230.315 1.708 20 30 BDEDLO C=C1CC(c2noc([C@H]3C[N@H+](CC)CCO3)n2)C1 ZINC000896877424 583844610 /nfs/dbraw/zinc/84/46/10/583844610.db2.gz QSRNNXLLIVLNOJ-LLVKDONJSA-N 1 2 249.314 1.896 20 30 BDEDLO C=C1CC(c2noc([C@H]3C[N@@H+](CC)CCO3)n2)C1 ZINC000896877424 583844612 /nfs/dbraw/zinc/84/46/12/583844612.db2.gz QSRNNXLLIVLNOJ-LLVKDONJSA-N 1 2 249.314 1.896 20 30 BDEDLO CC#CCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913839 583854325 /nfs/dbraw/zinc/85/43/25/583854325.db2.gz LXHUHBTUXOQSRN-UHFFFAOYSA-N 1 2 233.315 1.836 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnc(OC)s1 ZINC000897169325 583888608 /nfs/dbraw/zinc/88/86/08/583888608.db2.gz MYDRGYNFUQYFGY-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnc(OC)s1 ZINC000897169325 583888611 /nfs/dbraw/zinc/88/86/11/583888611.db2.gz MYDRGYNFUQYFGY-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO C[C@@]1(C[N@@H+]2CCO[C@](C)(C#N)C2)CCCS1 ZINC000897586258 584022119 /nfs/dbraw/zinc/02/21/19/584022119.db2.gz JTOWLFPSADQQAA-NEPJUHHUSA-N 1 2 240.372 1.887 20 30 BDEDLO C[C@@]1(C[N@H+]2CCO[C@](C)(C#N)C2)CCCS1 ZINC000897586258 584022120 /nfs/dbraw/zinc/02/21/20/584022120.db2.gz JTOWLFPSADQQAA-NEPJUHHUSA-N 1 2 240.372 1.887 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCC1(C#N)CCC1 ZINC000842035568 584022233 /nfs/dbraw/zinc/02/22/33/584022233.db2.gz CFTFYGXNOCLOIB-MRVPVSSYSA-N 1 2 211.265 1.214 20 30 BDEDLO C#CC1(O)C[NH+](Cc2sccc2C)C1 ZINC000898143846 584085564 /nfs/dbraw/zinc/08/55/64/584085564.db2.gz KQAWSXXDSPOCTG-UHFFFAOYSA-N 1 2 207.298 1.236 20 30 BDEDLO C#CC1(O)C[NH+](Cc2cccc3cnccc32)C1 ZINC000898145249 584086510 /nfs/dbraw/zinc/08/65/10/584086510.db2.gz UXGQWAYMYFNPPD-UHFFFAOYSA-N 1 2 238.290 1.415 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)CNc1cccc[nH+]1 ZINC000900638909 584334510 /nfs/dbraw/zinc/33/45/10/584334510.db2.gz SOXBHFNVTPYZCD-SNVBAGLBSA-N 1 2 232.287 1.158 20 30 BDEDLO C=CC[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000900742975 584348038 /nfs/dbraw/zinc/34/80/38/584348038.db2.gz UWVSGBRKMPMKPX-SNVBAGLBSA-N 1 2 219.288 1.574 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2cc(C)nc(C)n2)c1 ZINC000901170251 584395442 /nfs/dbraw/zinc/39/54/42/584395442.db2.gz VCLJJKXVHLRCFK-UHFFFAOYSA-N 1 2 244.302 1.756 20 30 BDEDLO O=c1ccc(C=[NH+]n2nnc3c2CCCC3)c[nH]1 ZINC000901328400 584423730 /nfs/dbraw/zinc/42/37/30/584423730.db2.gz BEPSJZRUBBQYAC-UHFFFAOYSA-N 1 2 243.270 1.140 20 30 BDEDLO CSCCC=[NH+]n1nnc2c1CCCC2 ZINC000901331220 584425196 /nfs/dbraw/zinc/42/51/96/584425196.db2.gz NOCYVFVWUKPKKC-UHFFFAOYSA-N 1 2 224.333 1.744 20 30 BDEDLO Cn1cc2c(n1)CC/C(=C\c1c[nH+]cn1C)C2=O ZINC000901507837 584456391 /nfs/dbraw/zinc/45/63/91/584456391.db2.gz NCSVKSLXSVTXJC-WEVVVXLNSA-N 1 2 242.282 1.366 20 30 BDEDLO CCn1c[nH+]cc1/C=C1/S/C(=N/C)NC1=O ZINC000901539464 584460419 /nfs/dbraw/zinc/46/04/19/584460419.db2.gz GEVOEVYBWPIVBH-XBXARRHUSA-N 1 2 236.300 1.093 20 30 BDEDLO COc1cc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)on1 ZINC000901512511 584461141 /nfs/dbraw/zinc/46/11/41/584461141.db2.gz MNYRAMHLXAHEHU-SNAWJCMRSA-N 1 2 247.254 1.919 20 30 BDEDLO Cn1c[nH+]cc1/C=C\C(=O)c1cc2n(n1)CCC2 ZINC000901560394 584462893 /nfs/dbraw/zinc/46/28/93/584462893.db2.gz JXVMFANYHUPNNH-PLNGDYQASA-N 1 2 242.282 1.459 20 30 BDEDLO Cc1[nH]c(/C=C2\CCn3nccc3C2=O)[nH+]c1C ZINC000901544568 584463896 /nfs/dbraw/zinc/46/38/96/584463896.db2.gz XAMXCIKVOZZCEO-JXMROGBWSA-N 1 2 242.282 1.893 20 30 BDEDLO COCC#CCOc1ccc2c(c1)[nH+]cn2C ZINC000902781327 584670450 /nfs/dbraw/zinc/67/04/50/584670450.db2.gz OJNGUDXCFDTWBD-UHFFFAOYSA-N 1 2 230.267 1.602 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902994561 584712148 /nfs/dbraw/zinc/71/21/48/584712148.db2.gz FMJRQVHUCXNTEN-GHMZBOCLSA-N 1 2 226.295 1.207 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902994561 584712150 /nfs/dbraw/zinc/71/21/50/584712150.db2.gz FMJRQVHUCXNTEN-GHMZBOCLSA-N 1 2 226.295 1.207 20 30 BDEDLO CCn1ccnc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106788 584728567 /nfs/dbraw/zinc/72/85/67/584728567.db2.gz VIPJQKGFAKHZTH-JTQLQIEISA-N 1 2 218.304 1.857 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NCC1(C#N)CC1 ZINC000903106788 584728568 /nfs/dbraw/zinc/72/85/68/584728568.db2.gz VIPJQKGFAKHZTH-JTQLQIEISA-N 1 2 218.304 1.857 20 30 BDEDLO CCCCCCN(O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000904204517 584852343 /nfs/dbraw/zinc/85/23/43/584852343.db2.gz NJUGDNLVZLEAQM-LLVKDONJSA-N 1 2 244.335 1.115 20 30 BDEDLO CCCCCCN(O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000904204517 584852344 /nfs/dbraw/zinc/85/23/44/584852344.db2.gz NJUGDNLVZLEAQM-LLVKDONJSA-N 1 2 244.335 1.115 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000754128980 584913682 /nfs/dbraw/zinc/91/36/82/584913682.db2.gz XPEHTROKAPHCHG-NQBHXWOUSA-N 1 2 219.332 1.315 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000754128980 584913683 /nfs/dbraw/zinc/91/36/83/584913683.db2.gz XPEHTROKAPHCHG-NQBHXWOUSA-N 1 2 219.332 1.315 20 30 BDEDLO Cc1cccn2cc(CC(=O)OCC#N)[nH+]c12 ZINC000731913750 584931234 /nfs/dbraw/zinc/93/12/34/584931234.db2.gz FPEARFWOCZMYIP-UHFFFAOYSA-N 1 2 229.239 1.252 20 30 BDEDLO C#CCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738949949 585054295 /nfs/dbraw/zinc/05/42/95/585054295.db2.gz OGZMAZKXXLCGPL-UHFFFAOYSA-N 1 2 228.255 1.479 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000839166519 585095274 /nfs/dbraw/zinc/09/52/74/585095274.db2.gz NJIXKWYBXRFXOZ-NSHDSACASA-N 1 2 233.267 1.047 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](CCCC)COC)C(=O)OC ZINC000839166974 585095357 /nfs/dbraw/zinc/09/53/57/585095357.db2.gz CARDPTPQGXCTDI-NEPJUHHUSA-N 1 2 241.331 1.346 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H](C)CC)C(=O)OC ZINC000839167087 585095457 /nfs/dbraw/zinc/09/54/57/585095457.db2.gz CJQSYEWWWHVEFG-VWYCJHECSA-N 1 2 211.305 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCC=C)C(=O)OC ZINC000839167995 585095686 /nfs/dbraw/zinc/09/56/86/585095686.db2.gz HTHOBSJGFPNNOW-MNOVXSKESA-N 1 2 209.289 1.496 20 30 BDEDLO C#CC[C@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OC ZINC000839168813 585095835 /nfs/dbraw/zinc/09/58/35/585095835.db2.gz MXLPHPHPVHCXNQ-MCIGGMRASA-N 1 2 239.315 1.097 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)C(=O)OC ZINC000839170457 585096343 /nfs/dbraw/zinc/09/63/43/585096343.db2.gz ZTLYRRNCKIUDNX-WOPDTQHZSA-N 1 2 239.315 1.099 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)C(C)(C)C ZINC000839199556 585099090 /nfs/dbraw/zinc/09/90/90/585099090.db2.gz OMPBLGOUGZVGDA-NSHDSACASA-N 1 2 223.316 1.326 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000839199556 585099091 /nfs/dbraw/zinc/09/90/91/585099091.db2.gz OMPBLGOUGZVGDA-NSHDSACASA-N 1 2 223.316 1.326 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)C(C)(C)C ZINC000839199553 585099225 /nfs/dbraw/zinc/09/92/25/585099225.db2.gz OMPBLGOUGZVGDA-LLVKDONJSA-N 1 2 223.316 1.326 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000839199553 585099226 /nfs/dbraw/zinc/09/92/26/585099226.db2.gz OMPBLGOUGZVGDA-LLVKDONJSA-N 1 2 223.316 1.326 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC000741783232 585117576 /nfs/dbraw/zinc/11/75/76/585117576.db2.gz KZVBJEUDSLHVNB-UHFFFAOYSA-N 1 2 232.283 1.286 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC000741783232 585117577 /nfs/dbraw/zinc/11/75/77/585117577.db2.gz KZVBJEUDSLHVNB-UHFFFAOYSA-N 1 2 232.283 1.286 20 30 BDEDLO Oc1ccccc1/C=[NH+]/Cc1nnnn1C1CC1 ZINC000743044947 585133533 /nfs/dbraw/zinc/13/35/33/585133533.db2.gz VCQCZSPAFKOJLG-NTUHNPAUSA-N 1 2 243.270 1.333 20 30 BDEDLO N#Cc1ccccc1SCC[NH+]1CCOCC1 ZINC000743454404 585137326 /nfs/dbraw/zinc/13/73/26/585137326.db2.gz JMENJTSJTAXAQE-UHFFFAOYSA-N 1 2 248.351 1.983 20 30 BDEDLO C#CCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000743609826 585138217 /nfs/dbraw/zinc/13/82/17/585138217.db2.gz HSQXNWDJSXMRJD-UHFFFAOYSA-N 1 2 248.330 1.362 20 30 BDEDLO C[C@H](CO)N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000749823196 585206978 /nfs/dbraw/zinc/20/69/78/585206978.db2.gz YZUXXAJXSPAIMB-LLVKDONJSA-N 1 2 248.330 1.008 20 30 BDEDLO CCC(C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936396 585272331 /nfs/dbraw/zinc/27/23/31/585272331.db2.gz SDJSXZHACWIOOO-NXEZZACHSA-N 1 2 208.309 1.632 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000839537485 585329984 /nfs/dbraw/zinc/32/99/84/585329984.db2.gz ZLJJHYPLYIWMFT-LURJTMIESA-N 1 2 217.618 1.594 20 30 BDEDLO Cn1c[nH+]cc1C=NNC(=S)NC(C)(C)C ZINC000755564515 585301765 /nfs/dbraw/zinc/30/17/65/585301765.db2.gz NPAMOOCUCGMCKZ-UHFFFAOYSA-N 1 2 239.348 1.017 20 30 BDEDLO Cn1c[nH+]cc1C=NNCc1ccc(C#N)cc1 ZINC000755803768 585307550 /nfs/dbraw/zinc/30/75/50/585307550.db2.gz VVZYMOWRAOQMJM-UHFFFAOYSA-N 1 2 239.282 1.415 20 30 BDEDLO Cc1ccnc(N=NCc2[nH]cc[nH+]2)c1 ZINC000755899965 585309812 /nfs/dbraw/zinc/30/98/12/585309812.db2.gz IMSNDIBTCCOGGX-UHFFFAOYSA-N 1 2 201.233 1.559 20 30 BDEDLO C=CC[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000756658144 585322152 /nfs/dbraw/zinc/32/21/52/585322152.db2.gz HHRXNHYFHKCYCF-JTQLQIEISA-N 1 2 245.282 1.001 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000756996288 585326250 /nfs/dbraw/zinc/32/62/50/585326250.db2.gz PRGBPLUPERKTKH-CQSZACIVSA-N 1 2 240.310 1.669 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000757014087 585326935 /nfs/dbraw/zinc/32/69/35/585326935.db2.gz VYFFPTZIFMXDAY-SNVBAGLBSA-N 1 2 242.282 1.572 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000839537485 585329983 /nfs/dbraw/zinc/32/99/83/585329983.db2.gz ZLJJHYPLYIWMFT-LURJTMIESA-N 1 2 217.618 1.594 20 30 BDEDLO C=C(Cl)C[N@@H+](CCCO)CC(OC)OC ZINC000839548010 585330202 /nfs/dbraw/zinc/33/02/02/585330202.db2.gz KRXJPWUQDNQENY-UHFFFAOYSA-N 1 2 237.727 1.042 20 30 BDEDLO C=C(Cl)C[N@H+](CCCO)CC(OC)OC ZINC000839548010 585330203 /nfs/dbraw/zinc/33/02/03/585330203.db2.gz KRXJPWUQDNQENY-UHFFFAOYSA-N 1 2 237.727 1.042 20 30 BDEDLO C=C(C)C[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758251215 585352867 /nfs/dbraw/zinc/35/28/67/585352867.db2.gz YKBAKSNBCVCBJH-UHFFFAOYSA-N 1 2 217.272 1.185 20 30 BDEDLO C=C(C)C[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758251215 585352868 /nfs/dbraw/zinc/35/28/68/585352868.db2.gz YKBAKSNBCVCBJH-UHFFFAOYSA-N 1 2 217.272 1.185 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000760848399 585399582 /nfs/dbraw/zinc/39/95/82/585399582.db2.gz YBCBVPKOGCDEGW-STQMWFEESA-N 1 2 249.310 1.427 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000760848399 585399583 /nfs/dbraw/zinc/39/95/83/585399583.db2.gz YBCBVPKOGCDEGW-STQMWFEESA-N 1 2 249.310 1.427 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000761113386 585409351 /nfs/dbraw/zinc/40/93/51/585409351.db2.gz HCVNONVYLBDVOH-VIFPVBQESA-N 1 2 223.276 1.021 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000761113386 585409352 /nfs/dbraw/zinc/40/93/52/585409352.db2.gz HCVNONVYLBDVOH-VIFPVBQESA-N 1 2 223.276 1.021 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1nccs1 ZINC000761110491 585410283 /nfs/dbraw/zinc/41/02/83/585410283.db2.gz STVBFRSAKKEOSL-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1nccs1 ZINC000761110491 585410284 /nfs/dbraw/zinc/41/02/84/585410284.db2.gz STVBFRSAKKEOSL-UHFFFAOYSA-N 1 2 210.302 1.225 20 30 BDEDLO COCC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761833307 585419804 /nfs/dbraw/zinc/41/98/04/585419804.db2.gz ANUCXHUDUMFGHC-UHFFFAOYSA-N 1 2 246.274 1.097 20 30 BDEDLO NC(=O)[C@@H]1CCC[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000764412330 585464975 /nfs/dbraw/zinc/46/49/75/585464975.db2.gz BBOYZWPFJNATLL-ARHGCVOOSA-N 1 2 246.310 1.855 20 30 BDEDLO CC#CC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000764501302 585467146 /nfs/dbraw/zinc/46/71/46/585467146.db2.gz DLKVOTXKMKTMOK-UHFFFAOYSA-N 1 2 227.267 1.282 20 30 BDEDLO N#Cc1ccc(N[NH+]=Cc2cccnc2N)cc1 ZINC000764684529 585470829 /nfs/dbraw/zinc/47/08/29/585470829.db2.gz ZOZIQNSYMZRNLK-UHFFFAOYSA-N 1 2 237.266 1.981 20 30 BDEDLO C#CCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000765063672 585480626 /nfs/dbraw/zinc/48/06/26/585480626.db2.gz DFIPOTRQVUYILG-UHFFFAOYSA-N 1 2 228.295 1.359 20 30 BDEDLO C#CCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000765063672 585480627 /nfs/dbraw/zinc/48/06/27/585480627.db2.gz DFIPOTRQVUYILG-UHFFFAOYSA-N 1 2 228.295 1.359 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000767253711 585515737 /nfs/dbraw/zinc/51/57/37/585515737.db2.gz UYSGUKBULOITHN-SNVBAGLBSA-N 1 2 227.267 1.428 20 30 BDEDLO CC(C)[C@H](C#N)N1CC[NH+](C/C=C/Cl)CC1 ZINC000767898930 585527877 /nfs/dbraw/zinc/52/78/77/585527877.db2.gz ILFPJBFFIKFCJW-PCAWENJQSA-N 1 2 241.766 1.905 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770418626 585574163 /nfs/dbraw/zinc/57/41/63/585574163.db2.gz SJUFIGNTKDGYTP-JTQLQIEISA-N 1 2 242.282 1.708 20 30 BDEDLO N#Cc1ccsc1C(=O)OCCn1cc[nH+]c1 ZINC000771936464 585605060 /nfs/dbraw/zinc/60/50/60/585605060.db2.gz IYUSYGQPROCPGA-UHFFFAOYSA-N 1 2 247.279 1.673 20 30 BDEDLO N#Cc1ccc(C(=O)OCCn2cc[nH+]c2)nc1 ZINC000771957756 585605433 /nfs/dbraw/zinc/60/54/33/585605433.db2.gz JMLUMFSZDCWQON-UHFFFAOYSA-N 1 2 242.238 1.007 20 30 BDEDLO C=CC[N@@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000773327238 585635110 /nfs/dbraw/zinc/63/51/10/585635110.db2.gz TYIVATUZNAUBIF-UHFFFAOYSA-N 1 2 236.246 1.809 20 30 BDEDLO C=CC[N@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000773327238 585635111 /nfs/dbraw/zinc/63/51/11/585635111.db2.gz TYIVATUZNAUBIF-UHFFFAOYSA-N 1 2 236.246 1.809 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H]1CCC=CO1 ZINC000774876481 585668133 /nfs/dbraw/zinc/66/81/33/585668133.db2.gz AERGQRAEJADCKY-LBPRGKRZSA-N 1 2 224.304 1.541 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CCC=CO1 ZINC000774876481 585668134 /nfs/dbraw/zinc/66/81/34/585668134.db2.gz AERGQRAEJADCKY-LBPRGKRZSA-N 1 2 224.304 1.541 20 30 BDEDLO C=C(CC)COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000774991514 585670183 /nfs/dbraw/zinc/67/01/83/585670183.db2.gz MKVNMLJKXYOKBI-LLVKDONJSA-N 1 2 243.372 1.933 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccc(C)n1)[C@@H]1CCCO1 ZINC000775798419 585685227 /nfs/dbraw/zinc/68/52/27/585685227.db2.gz HFGCNXWRSCQEMG-NEPJUHHUSA-N 1 2 231.299 1.055 20 30 BDEDLO C=C1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000776581407 585701420 /nfs/dbraw/zinc/70/14/20/585701420.db2.gz DWKWCTCOANCLBE-UHFFFAOYSA-N 1 2 211.305 1.838 20 30 BDEDLO C=CC[N@@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000777541792 585714665 /nfs/dbraw/zinc/71/46/65/585714665.db2.gz RWURPYHJSPRWEK-UHFFFAOYSA-N 1 2 229.287 1.415 20 30 BDEDLO C=CC[N@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000777541792 585714666 /nfs/dbraw/zinc/71/46/66/585714666.db2.gz RWURPYHJSPRWEK-UHFFFAOYSA-N 1 2 229.287 1.415 20 30 BDEDLO C=CC[N@@H+](Cc1nc(COC)no1)C(C)C ZINC000777558119 585715329 /nfs/dbraw/zinc/71/53/29/585715329.db2.gz CRWFIFXFVJBANC-UHFFFAOYSA-N 1 2 225.292 1.612 20 30 BDEDLO C=CC[N@H+](Cc1nc(COC)no1)C(C)C ZINC000777558119 585715330 /nfs/dbraw/zinc/71/53/30/585715330.db2.gz CRWFIFXFVJBANC-UHFFFAOYSA-N 1 2 225.292 1.612 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094591 585745241 /nfs/dbraw/zinc/74/52/41/585745241.db2.gz CYUNNLPVKXOQDZ-LLVKDONJSA-N 1 2 245.326 1.364 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ncncc1Cl ZINC000780275042 585776455 /nfs/dbraw/zinc/77/64/55/585776455.db2.gz JIUNPIMETSOVAI-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO Clc1cncnc1N=NCc1c[nH+]c[nH]1 ZINC000780282529 585776520 /nfs/dbraw/zinc/77/65/20/585776520.db2.gz GHFHILQUVQCGJP-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Clc1cncnc1N=NCc1c[nH]c[nH+]1 ZINC000780282529 585776521 /nfs/dbraw/zinc/77/65/21/585776521.db2.gz GHFHILQUVQCGJP-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1ccnc(F)c1 ZINC000781132928 585791263 /nfs/dbraw/zinc/79/12/63/585791263.db2.gz RPXWLHGNAAJZQC-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO CC1(CN=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000782285010 585813995 /nfs/dbraw/zinc/81/39/95/585813995.db2.gz MPQGPXTVVYXIJA-UHFFFAOYSA-N 1 2 242.286 1.860 20 30 BDEDLO C#CCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783149066 585828532 /nfs/dbraw/zinc/82/85/32/585828532.db2.gz PKUBZIOAYYXMOC-UHFFFAOYSA-N 1 2 220.247 1.890 20 30 BDEDLO N#C[C@H]1C[N@H+](CC[C@H]2CCOC2)CCN1C1CC1 ZINC000783567323 585837232 /nfs/dbraw/zinc/83/72/32/585837232.db2.gz NEGNZFYBORMXHI-JSGCOSHPSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCN1C1CC1 ZINC000783567323 585837233 /nfs/dbraw/zinc/83/72/33/585837233.db2.gz NEGNZFYBORMXHI-JSGCOSHPSA-N 1 2 249.358 1.085 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000784453311 585860167 /nfs/dbraw/zinc/86/01/67/585860167.db2.gz JFIRTHXVIGECNR-KKNAONHISA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000784453311 585860168 /nfs/dbraw/zinc/86/01/68/585860168.db2.gz JFIRTHXVIGECNR-KKNAONHISA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000784453314 585860301 /nfs/dbraw/zinc/86/03/01/585860301.db2.gz JFIRTHXVIGECNR-PTJCHJMSSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000784453314 585860302 /nfs/dbraw/zinc/86/03/02/585860302.db2.gz JFIRTHXVIGECNR-PTJCHJMSSA-N 1 2 236.315 1.731 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)CC(C)(C)C#N ZINC000786440637 585891676 /nfs/dbraw/zinc/89/16/76/585891676.db2.gz YFVWAZJYTAGFAT-UHFFFAOYSA-N 1 2 221.260 1.403 20 30 BDEDLO Cc1cc(N=NC(C)c2[nH]cc[nH+]2)nc(C)n1 ZINC000790157578 585958890 /nfs/dbraw/zinc/95/88/90/585958890.db2.gz HBDHQSUYGXVJMT-UHFFFAOYSA-N 1 2 230.275 1.653 20 30 BDEDLO Cc1ccnc(N=NC(C)c2[nH]cc[nH+]2)c1 ZINC000790167176 585958921 /nfs/dbraw/zinc/95/89/21/585958921.db2.gz MNBDUKRVNJEQNR-UHFFFAOYSA-N 1 2 215.260 1.949 20 30 BDEDLO COc1ccc(N=NC(C)c2[nH]cc[nH+]2)nc1 ZINC000790175018 585959421 /nfs/dbraw/zinc/95/94/21/585959421.db2.gz BHBPKDCGKKYHIR-UHFFFAOYSA-N 1 2 231.259 1.649 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cccc(O)c1 ZINC000790300276 585962625 /nfs/dbraw/zinc/96/26/25/585962625.db2.gz QKOAPQHNLXWPJO-UHFFFAOYSA-N 1 2 216.244 1.572 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(C#N)s1 ZINC000790299424 585962797 /nfs/dbraw/zinc/96/27/97/585962797.db2.gz BJXCMLMZAAROST-UHFFFAOYSA-N 1 2 231.284 1.799 20 30 BDEDLO COc1ccccc1C=NNc1[nH+]ccn1C ZINC000790301672 585962933 /nfs/dbraw/zinc/96/29/33/585962933.db2.gz HPXPBORFBNNOIP-UHFFFAOYSA-N 1 2 230.271 1.875 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792218346 585998115 /nfs/dbraw/zinc/99/81/15/585998115.db2.gz OEKFGXKEFANHCF-GHMZBOCLSA-N 1 2 236.315 1.564 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792218346 585998116 /nfs/dbraw/zinc/99/81/16/585998116.db2.gz OEKFGXKEFANHCF-GHMZBOCLSA-N 1 2 236.315 1.564 20 30 BDEDLO CC1(C[NH2+]NC2=CC(=O)N3CCC[C@H]23)CCCC1 ZINC000793084349 586010103 /nfs/dbraw/zinc/01/01/03/586010103.db2.gz MNQZDAWHOOGGEC-GFCCVEGCSA-N 1 2 249.358 1.907 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1cccc(Cl)n1 ZINC000793160834 586012471 /nfs/dbraw/zinc/01/24/71/586012471.db2.gz FLZXEWDCSMLWRL-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2cccc(Cl)n2)c1 ZINC000793181406 586013332 /nfs/dbraw/zinc/01/33/32/586013332.db2.gz PKCIMIVFFDKDSN-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)CC(C)(C)C#N ZINC000793249230 586014983 /nfs/dbraw/zinc/01/49/83/586014983.db2.gz FHKFIOZILJCCNC-UHFFFAOYSA-N 1 2 235.287 1.446 20 30 BDEDLO C=CCCOCC(=O)OCCc1c[nH+]cn1C ZINC000793254829 586015413 /nfs/dbraw/zinc/01/54/13/586015413.db2.gz HBTFDWGFOZILOC-UHFFFAOYSA-N 1 2 238.287 1.099 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(C)n(C)n1 ZINC000794579219 586045166 /nfs/dbraw/zinc/04/51/66/586045166.db2.gz STNSRJYIWDPJBN-UHFFFAOYSA-N 1 2 205.305 1.572 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cc(C)n(C)n1 ZINC000794579219 586045167 /nfs/dbraw/zinc/04/51/67/586045167.db2.gz STNSRJYIWDPJBN-UHFFFAOYSA-N 1 2 205.305 1.572 20 30 BDEDLO CC1=C(C)C[N@H+](Cn2cccc(C#N)c2=O)CC1 ZINC000794882334 586053231 /nfs/dbraw/zinc/05/32/31/586053231.db2.gz QVYOIXFVLIJJSX-UHFFFAOYSA-N 1 2 243.310 1.720 20 30 BDEDLO CC1=C(C)C[N@@H+](Cn2cccc(C#N)c2=O)CC1 ZINC000794882334 586053232 /nfs/dbraw/zinc/05/32/32/586053232.db2.gz QVYOIXFVLIJJSX-UHFFFAOYSA-N 1 2 243.310 1.720 20 30 BDEDLO O=C1C=C([NH2+]Nc2cncnc2)[C@H]2CCCCN12 ZINC000794976089 586060138 /nfs/dbraw/zinc/06/01/38/586060138.db2.gz DJJPSTLXHLVVKC-LLVKDONJSA-N 1 2 245.286 1.029 20 30 BDEDLO COCCCON=Cc1cccc2[nH+]ccn21 ZINC000795051589 586067348 /nfs/dbraw/zinc/06/73/48/586067348.db2.gz WEVKMEXQEDDHSK-UHFFFAOYSA-N 1 2 233.271 1.721 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)[C@H]1CC(C)(C)OC1=O ZINC000795684092 586091096 /nfs/dbraw/zinc/09/10/96/586091096.db2.gz IBLIXBIFVVZIDS-JTQLQIEISA-N 1 2 238.331 1.952 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)[C@H]1CC(C)(C)OC1=O ZINC000795684092 586091097 /nfs/dbraw/zinc/09/10/97/586091097.db2.gz IBLIXBIFVVZIDS-JTQLQIEISA-N 1 2 238.331 1.952 20 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CCC#C[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562204 586262490 /nfs/dbraw/zinc/26/24/90/586262490.db2.gz XFTOEQZSTBNETI-ZJUUUORDSA-N 1 2 217.259 1.754 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562204 586262493 /nfs/dbraw/zinc/26/24/93/586262493.db2.gz XFTOEQZSTBNETI-ZJUUUORDSA-N 1 2 217.259 1.754 20 30 BDEDLO C#CCN(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000801640640 586267219 /nfs/dbraw/zinc/26/72/19/586267219.db2.gz RPECEAXQYXEXAQ-UHFFFAOYSA-N 1 2 246.314 1.553 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CN1CC[C@@H](C)C1=O ZINC000839966838 586305240 /nfs/dbraw/zinc/30/52/40/586305240.db2.gz JSMSRNVVNTUPGH-GFCCVEGCSA-N 1 2 237.347 1.684 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CN1CC[C@@H](C)C1=O ZINC000839966838 586305242 /nfs/dbraw/zinc/30/52/42/586305242.db2.gz JSMSRNVVNTUPGH-GFCCVEGCSA-N 1 2 237.347 1.684 20 30 BDEDLO C#Cc1cncc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000806814959 586418923 /nfs/dbraw/zinc/41/89/23/586418923.db2.gz JMBKDAAOKXMBJY-UHFFFAOYSA-N 1 2 237.262 1.441 20 30 BDEDLO 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BDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000834386064 587753976 /nfs/dbraw/zinc/75/39/76/587753976.db2.gz OLOKCLPONTYEEC-HBNTYKKESA-N 1 2 231.299 1.052 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000834386063 587753995 /nfs/dbraw/zinc/75/39/95/587753995.db2.gz OLOKCLPONTYEEC-GMTAPVOTSA-N 1 2 231.299 1.052 20 30 BDEDLO CNC(=S)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834916842 587770843 /nfs/dbraw/zinc/77/08/43/587770843.db2.gz NUMRKAXAISDEJV-UHFFFAOYSA-N 1 2 234.328 1.013 20 30 BDEDLO CC[C@@H]1C[C@@H](C=[NH+]n2ccnn2)CCO1 ZINC000835010524 587777567 /nfs/dbraw/zinc/77/75/67/587777567.db2.gz BOBHKCKPRXHNBP-VHSXEESVSA-N 1 2 208.265 1.317 20 30 BDEDLO COCCN(CC#N)CCCc1c[nH+]ccc1C ZINC000835067205 587779803 /nfs/dbraw/zinc/77/98/03/587779803.db2.gz AREKMANMYMENMI-UHFFFAOYSA-N 1 2 247.342 1.795 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000835350276 587798010 /nfs/dbraw/zinc/79/80/10/587798010.db2.gz OVLBCDWETPWORD-MNOVXSKESA-N 1 2 236.271 1.017 20 30 BDEDLO 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C=C(CC)CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661260 588050650 /nfs/dbraw/zinc/05/06/50/588050650.db2.gz MRNSRSUAEXLDIM-LLVKDONJSA-N 1 2 242.319 1.504 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000844005172 588154818 /nfs/dbraw/zinc/15/48/18/588154818.db2.gz KGPRMVPTXWWGQH-LBPRGKRZSA-N 1 2 245.326 1.604 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000844005172 588154820 /nfs/dbraw/zinc/15/48/20/588154820.db2.gz KGPRMVPTXWWGQH-LBPRGKRZSA-N 1 2 245.326 1.604 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844304818 588182292 /nfs/dbraw/zinc/18/22/92/588182292.db2.gz WWNJYVSHFILLBN-MWLCHTKSSA-N 1 2 237.303 1.204 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844304818 588182294 /nfs/dbraw/zinc/18/22/94/588182294.db2.gz WWNJYVSHFILLBN-MWLCHTKSSA-N 1 2 237.303 1.204 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844300074 588182321 /nfs/dbraw/zinc/18/23/21/588182321.db2.gz JPCHNDQLRPXSQR-LLVKDONJSA-N 1 2 237.303 1.205 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844300074 588182323 /nfs/dbraw/zinc/18/23/23/588182323.db2.gz JPCHNDQLRPXSQR-LLVKDONJSA-N 1 2 237.303 1.205 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cc2n(n1)CCC2)[C@H]1CCCO1 ZINC000844323039 588184435 /nfs/dbraw/zinc/18/44/35/588184435.db2.gz STKZIQVFXPGFOI-UONOGXRCSA-N 1 2 245.326 1.100 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000844323063 588184875 /nfs/dbraw/zinc/18/48/75/588184875.db2.gz DFDDAZRGDSTZMR-JTQLQIEISA-N 1 2 203.289 1.283 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000844323063 588184877 /nfs/dbraw/zinc/18/48/77/588184877.db2.gz DFDDAZRGDSTZMR-JTQLQIEISA-N 1 2 203.289 1.283 20 30 BDEDLO C#CCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844408810 588190328 /nfs/dbraw/zinc/19/03/28/588190328.db2.gz IPEQQRNKCCXMFN-LLVKDONJSA-N 1 2 219.288 1.364 20 30 BDEDLO CC/C(C)=C(\C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844526725 588200622 /nfs/dbraw/zinc/20/06/22/588200622.db2.gz HUORQABYKQITGB-NHAQELONSA-N 1 2 237.347 1.693 20 30 BDEDLO C[C@@H]1CC/C(=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000844527736 588200713 /nfs/dbraw/zinc/20/07/13/588200713.db2.gz BQRFSHQRYMFKMD-AIDTXJDASA-N 1 2 249.358 1.693 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C=C1CCCC1 ZINC000844529238 588200891 /nfs/dbraw/zinc/20/08/91/588200891.db2.gz PNEFKXGWRWAGHB-ZDUSSCGKSA-N 1 2 235.331 1.447 20 30 BDEDLO C=CCOCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284389 588225697 /nfs/dbraw/zinc/22/56/97/588225697.db2.gz BMABLWCPIXPDJN-NSHDSACASA-N 1 2 238.287 1.580 20 30 BDEDLO C[C@H](C#N)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845495169 588230719 /nfs/dbraw/zinc/23/07/19/588230719.db2.gz UFOUZYQHZUREPJ-SNVBAGLBSA-N 1 2 247.298 1.465 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000845500847 588231123 /nfs/dbraw/zinc/23/11/23/588231123.db2.gz OKXSKYYZNYQLEF-UONOGXRCSA-N 1 2 246.354 1.200 20 30 BDEDLO CCN1C[C@H](C[N@H+](CC)C[C@@H](C)C#N)OC1=O ZINC000846787321 588288384 /nfs/dbraw/zinc/28/83/84/588288384.db2.gz DTWSIMKLLCYCDB-QWRGUYRKSA-N 1 2 239.319 1.309 20 30 BDEDLO CCN1C[C@H](C[N@@H+](CC)C[C@@H](C)C#N)OC1=O ZINC000846787321 588288385 /nfs/dbraw/zinc/28/83/85/588288385.db2.gz DTWSIMKLLCYCDB-QWRGUYRKSA-N 1 2 239.319 1.309 20 30 BDEDLO CCN1C[C@H](C[N@H+](CC)CCC#N)OC1=O ZINC000846810797 588290286 /nfs/dbraw/zinc/29/02/86/588290286.db2.gz HTGHLAYOOCCUCG-JTQLQIEISA-N 1 2 225.292 1.063 20 30 BDEDLO CCN1C[C@H](C[N@@H+](CC)CCC#N)OC1=O ZINC000846810797 588290287 /nfs/dbraw/zinc/29/02/87/588290287.db2.gz HTGHLAYOOCCUCG-JTQLQIEISA-N 1 2 225.292 1.063 20 30 BDEDLO CON1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000846972971 588299731 /nfs/dbraw/zinc/29/97/31/588299731.db2.gz WZNLSWUFNRBEFI-UHFFFAOYSA-N 1 2 230.311 1.217 20 30 BDEDLO C=CC[C@H](CC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000847105460 588306286 /nfs/dbraw/zinc/30/62/86/588306286.db2.gz VKARSVIQJVELIA-VIFPVBQESA-N 1 2 207.277 1.423 20 30 BDEDLO CC[C@@H](C#N)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000847168928 588308366 /nfs/dbraw/zinc/30/83/66/588308366.db2.gz PMNKVZUUAIDTGF-JTQLQIEISA-N 1 2 242.282 1.708 20 30 BDEDLO C#CCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847533429 588315801 /nfs/dbraw/zinc/31/58/01/588315801.db2.gz YRVUREHKLLEZKP-JTQLQIEISA-N 1 2 219.288 1.118 20 30 BDEDLO C#CCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847533429 588315803 /nfs/dbraw/zinc/31/58/03/588315803.db2.gz YRVUREHKLLEZKP-JTQLQIEISA-N 1 2 219.288 1.118 20 30 BDEDLO C#CCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847567448 588317145 /nfs/dbraw/zinc/31/71/45/588317145.db2.gz LYUXQIREXGREFN-NSHDSACASA-N 1 2 233.315 1.508 20 30 BDEDLO C#CCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847567448 588317147 /nfs/dbraw/zinc/31/71/47/588317147.db2.gz LYUXQIREXGREFN-NSHDSACASA-N 1 2 233.315 1.508 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000848279511 588369854 /nfs/dbraw/zinc/36/98/54/588369854.db2.gz NMWQJJZGWUEXHT-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO Fc1cnccc1C=NNCCCn1cc[nH+]c1 ZINC000848416242 588381373 /nfs/dbraw/zinc/38/13/73/588381373.db2.gz DGSLPCLNYZDZQD-UHFFFAOYSA-N 1 2 247.277 1.431 20 30 BDEDLO C[C@@H]1CC(=NNCCCn2cc[nH+]c2)[C@H](C)O1 ZINC000848416544 588381746 /nfs/dbraw/zinc/38/17/46/588381746.db2.gz OTUDMWYIVZFGRV-MNOVXSKESA-N 1 2 236.319 1.416 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000848416246 588381887 /nfs/dbraw/zinc/38/18/87/588381887.db2.gz DNPLCXKROWXRQH-JTQLQIEISA-N 1 2 242.273 1.894 20 30 BDEDLO c1cn(CCCN=NCC2CCOCC2)c[nH+]1 ZINC000848417838 588382391 /nfs/dbraw/zinc/38/23/91/588382391.db2.gz GDHOWTAMMGRFNE-UHFFFAOYSA-N 1 2 236.319 1.275 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1cccs1 ZINC000848419910 588382858 /nfs/dbraw/zinc/38/28/58/588382858.db2.gz JGRQMKQTAALORU-UHFFFAOYSA-N 1 2 234.328 1.958 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000848494546 588387512 /nfs/dbraw/zinc/38/75/12/588387512.db2.gz RAXHOOWZXQDNAL-LLVKDONJSA-N 1 2 248.286 1.402 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000848494546 588387514 /nfs/dbraw/zinc/38/75/14/588387514.db2.gz RAXHOOWZXQDNAL-LLVKDONJSA-N 1 2 248.286 1.402 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2ncsc2=S)C1 ZINC000848493873 588387925 /nfs/dbraw/zinc/38/79/25/588387925.db2.gz RIKDSWIBAZYSKV-SECBINFHSA-N 1 2 239.369 1.977 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2ncsc2=S)C1 ZINC000848493873 588387922 /nfs/dbraw/zinc/38/79/22/588387922.db2.gz RIKDSWIBAZYSKV-SECBINFHSA-N 1 2 239.369 1.977 20 30 BDEDLO C#CC[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000848707795 588407220 /nfs/dbraw/zinc/40/72/20/588407220.db2.gz JMWFFPLPZMHTNT-NSHDSACASA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC[C@@H]1CCCN(c2nc[nH+]c(N)c2OC)C1 ZINC000848733035 588409681 /nfs/dbraw/zinc/40/96/81/588409681.db2.gz AKJVAZNEGBLMET-SNVBAGLBSA-N 1 2 246.314 1.307 20 30 BDEDLO C#CC[C@@H]1CCCN(c2[nH+]cnc(N)c2OC)C1 ZINC000848733035 588409683 /nfs/dbraw/zinc/40/96/83/588409683.db2.gz AKJVAZNEGBLMET-SNVBAGLBSA-N 1 2 246.314 1.307 20 30 BDEDLO C#C[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000848751407 588411834 /nfs/dbraw/zinc/41/18/34/588411834.db2.gz YZTSSIKHNVUSNW-LLVKDONJSA-N 1 2 201.273 1.635 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000109373735 588558142 /nfs/dbraw/zinc/55/81/42/588558142.db2.gz YSTNORLLIZZUTM-CQSZACIVSA-N 1 2 248.326 1.582 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000109373735 588558144 /nfs/dbraw/zinc/55/81/44/588558144.db2.gz YSTNORLLIZZUTM-CQSZACIVSA-N 1 2 248.326 1.582 20 30 BDEDLO C#CCOCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000851731969 588619629 /nfs/dbraw/zinc/61/96/29/588619629.db2.gz FQASDIQHRCPZCA-GFCCVEGCSA-N 1 2 233.315 1.239 20 30 BDEDLO C#CCOCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000851731969 588619630 /nfs/dbraw/zinc/61/96/30/588619630.db2.gz FQASDIQHRCPZCA-GFCCVEGCSA-N 1 2 233.315 1.239 20 30 BDEDLO C#CCOCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000851777618 588626743 /nfs/dbraw/zinc/62/67/43/588626743.db2.gz XRDUIILISVTCDV-UHFFFAOYSA-N 1 2 239.315 1.102 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CCc1c[nH]nn1 ZINC000851778399 588627014 /nfs/dbraw/zinc/62/70/14/588627014.db2.gz JBVFNZOZTGFYDL-UHFFFAOYSA-N 1 2 221.308 1.219 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CCc1c[nH]nn1 ZINC000851778399 588627015 /nfs/dbraw/zinc/62/70/15/588627015.db2.gz JBVFNZOZTGFYDL-UHFFFAOYSA-N 1 2 221.308 1.219 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CCc1cn[nH]n1 ZINC000851778399 588627016 /nfs/dbraw/zinc/62/70/16/588627016.db2.gz JBVFNZOZTGFYDL-UHFFFAOYSA-N 1 2 221.308 1.219 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CCc1cn[nH]n1 ZINC000851778399 588627017 /nfs/dbraw/zinc/62/70/17/588627017.db2.gz JBVFNZOZTGFYDL-UHFFFAOYSA-N 1 2 221.308 1.219 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(F)n1 ZINC000851794061 588629521 /nfs/dbraw/zinc/62/95/21/588629521.db2.gz NWUSZANECFKCQG-UHFFFAOYSA-N 1 2 202.232 1.289 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@@H](O)c1ccccn1)C1CC1 ZINC000851866834 588636528 /nfs/dbraw/zinc/63/65/28/588636528.db2.gz XGDPLVVXSKYWSQ-BXUZGUMPSA-N 1 2 245.326 1.739 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@@H](O)c1ccccn1)C1CC1 ZINC000851866834 588636529 /nfs/dbraw/zinc/63/65/29/588636529.db2.gz XGDPLVVXSKYWSQ-BXUZGUMPSA-N 1 2 245.326 1.739 20 30 BDEDLO C[C@@H]([NH2+]Cc1cnon1)c1cccc(C#N)c1 ZINC000851899788 588641645 /nfs/dbraw/zinc/64/16/45/588641645.db2.gz GDKZPCAVKUWUCN-SECBINFHSA-N 1 2 228.255 1.792 20 30 BDEDLO C#CCOCC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000852046064 588657297 /nfs/dbraw/zinc/65/72/97/588657297.db2.gz OXDPJVDXEJCJRA-GFCCVEGCSA-N 1 2 249.314 1.555 20 30 BDEDLO C#CCOCC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000852046064 588657298 /nfs/dbraw/zinc/65/72/98/588657298.db2.gz OXDPJVDXEJCJRA-GFCCVEGCSA-N 1 2 249.314 1.555 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(F)F)no1 ZINC000852104672 588663705 /nfs/dbraw/zinc/66/37/05/588663705.db2.gz LTNBNGIHKYLQON-JTQLQIEISA-N 1 2 229.230 1.899 20 30 BDEDLO C#C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000852304175 588677711 /nfs/dbraw/zinc/67/77/11/588677711.db2.gz HMAMPOINQJTTSZ-LLVKDONJSA-N 1 2 234.303 1.209 20 30 BDEDLO C#C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000852304175 588677712 /nfs/dbraw/zinc/67/77/12/588677712.db2.gz HMAMPOINQJTTSZ-LLVKDONJSA-N 1 2 234.303 1.209 20 30 BDEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCO)C1 ZINC000852327133 588678897 /nfs/dbraw/zinc/67/88/97/588678897.db2.gz RRWLBAWODVTRJB-CQSZACIVSA-N 1 2 245.326 1.321 20 30 BDEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCO)C1 ZINC000852327133 588678898 /nfs/dbraw/zinc/67/88/98/588678898.db2.gz RRWLBAWODVTRJB-CQSZACIVSA-N 1 2 245.326 1.321 20 30 BDEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCO)C1 ZINC000852327130 588678908 /nfs/dbraw/zinc/67/89/08/588678908.db2.gz RRWLBAWODVTRJB-AWEZNQCLSA-N 1 2 245.326 1.321 20 30 BDEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCO)C1 ZINC000852327130 588678909 /nfs/dbraw/zinc/67/89/09/588678909.db2.gz RRWLBAWODVTRJB-AWEZNQCLSA-N 1 2 245.326 1.321 20 30 BDEDLO C=CC[N@@H+]([C@H](C)C(=O)OCCC)[C@@H](C)COC ZINC000852358328 588679905 /nfs/dbraw/zinc/67/99/05/588679905.db2.gz QCVLSUMSWMUTCP-NWDGAFQWSA-N 1 2 243.347 1.851 20 30 BDEDLO C=CC[N@H+]([C@H](C)C(=O)OCCC)[C@@H](C)COC ZINC000852358328 588679906 /nfs/dbraw/zinc/67/99/06/588679906.db2.gz QCVLSUMSWMUTCP-NWDGAFQWSA-N 1 2 243.347 1.851 20 30 BDEDLO CC[N@H+](CCC1OCCCO1)[C@@H](C)C#N ZINC000852639167 588693860 /nfs/dbraw/zinc/69/38/60/588693860.db2.gz JMOCHJRUPFPROD-JTQLQIEISA-N 1 2 212.293 1.373 20 30 BDEDLO CC[N@@H+](CCC1OCCCO1)[C@@H](C)C#N ZINC000852639167 588693861 /nfs/dbraw/zinc/69/38/61/588693861.db2.gz JMOCHJRUPFPROD-JTQLQIEISA-N 1 2 212.293 1.373 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688213 588696486 /nfs/dbraw/zinc/69/64/86/588696486.db2.gz ZIULNPGCEUVAJC-DGCLKSJQSA-N 1 2 249.314 1.205 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000852688213 588696487 /nfs/dbraw/zinc/69/64/87/588696487.db2.gz ZIULNPGCEUVAJC-DGCLKSJQSA-N 1 2 249.314 1.205 20 30 BDEDLO C#CC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000852742746 588697675 /nfs/dbraw/zinc/69/76/75/588697675.db2.gz VXVVDHDCDOBESJ-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000852742746 588697676 /nfs/dbraw/zinc/69/76/76/588697676.db2.gz VXVVDHDCDOBESJ-RKDXNWHRSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCCCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762201 589177305 /nfs/dbraw/zinc/17/73/05/589177305.db2.gz SNPMOSXRFBBMLS-UHFFFAOYSA-N 1 2 245.326 1.878 20 30 BDEDLO C#CCCCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762201 589177306 /nfs/dbraw/zinc/17/73/06/589177306.db2.gz SNPMOSXRFBBMLS-UHFFFAOYSA-N 1 2 245.326 1.878 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000862133270 589192961 /nfs/dbraw/zinc/19/29/61/589192961.db2.gz WEXJEOAMVWIBTL-MNOVXSKESA-N 1 2 249.314 1.376 20 30 BDEDLO C#CCN(CC#C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000862245955 589196786 /nfs/dbraw/zinc/19/67/86/589196786.db2.gz CQBCLGOYVDCFJB-UHFFFAOYSA-N 1 2 201.273 1.095 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cnc(C2CC2)o1)[C@@H]1CCCO1 ZINC000862332922 589201415 /nfs/dbraw/zinc/20/14/15/589201415.db2.gz ZOUQHVWWIZTKJM-STQMWFEESA-N 1 2 246.310 1.822 20 30 BDEDLO C=C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000864252559 589350548 /nfs/dbraw/zinc/35/05/48/589350548.db2.gz AKMDSKKAVLVLNB-UHFFFAOYSA-N 1 2 234.303 1.245 20 30 BDEDLO CO[C@H]1C[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000864346400 589354603 /nfs/dbraw/zinc/35/46/03/589354603.db2.gz VIXMZNPWCAYUBQ-MMZBNDTGSA-N 1 2 205.257 1.989 20 30 BDEDLO COC(=O)C[C@@H](C)/[NH+]=C\c1ccccc1O ZINC000864348120 589354756 /nfs/dbraw/zinc/35/47/56/589354756.db2.gz FKYBWLODJWRULA-PGEKAQRJSA-N 1 2 221.256 1.763 20 30 BDEDLO C=C(C)CNC(=S)N(C)Cc1[nH]cc[nH+]1 ZINC000865261918 589416771 /nfs/dbraw/zinc/41/67/71/589416771.db2.gz GEXWIIUCUVBVPR-UHFFFAOYSA-N 1 2 224.333 1.292 20 30 BDEDLO CC(C)(C)c1cn(Cc2ncc(C#N)cn2)c[nH+]1 ZINC000865376305 589428211 /nfs/dbraw/zinc/42/82/11/589428211.db2.gz IIDZQTXQHGTUPK-UHFFFAOYSA-N 1 2 241.298 1.891 20 30 BDEDLO N#CC[N@@H+](CC[C@H]1CCOC1=O)C1CCCC1 ZINC000120678549 589453567 /nfs/dbraw/zinc/45/35/67/589453567.db2.gz UMKFCJSFPUNWDB-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO N#CC[N@H+](CC[C@H]1CCOC1=O)C1CCCC1 ZINC000120678549 589453569 /nfs/dbraw/zinc/45/35/69/589453569.db2.gz UMKFCJSFPUNWDB-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO CCOC(=O)c1cc(C[NH2+][C@H](C)CC#N)on1 ZINC000866129141 589477828 /nfs/dbraw/zinc/47/78/28/589477828.db2.gz AUCHXZYCGCXDJS-MRVPVSSYSA-N 1 2 237.259 1.243 20 30 BDEDLO C[C@H]([NH2+]CCCO)c1cccc(C#N)c1O ZINC000866215542 589481281 /nfs/dbraw/zinc/48/12/81/589481281.db2.gz ZUQGFUMDGAPLRY-VIFPVBQESA-N 1 2 220.272 1.297 20 30 BDEDLO Cc1cc(N2C[C@@H](O)CC(C)(C)C2)c(C#N)c[nH+]1 ZINC000866228102 589481712 /nfs/dbraw/zinc/48/17/12/589481712.db2.gz HVJDHGRNPNAREY-LBPRGKRZSA-N 1 2 245.326 1.859 20 30 BDEDLO C[C@@H]([NH2+][C@H]1CCOC1)c1cccc(C#N)c1O ZINC000866308482 589485643 /nfs/dbraw/zinc/48/56/43/589485643.db2.gz COYCYLFDJFBJKN-KOLCDFICSA-N 1 2 232.283 1.703 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc(C#N)c1O ZINC000866355924 589487831 /nfs/dbraw/zinc/48/78/31/589487831.db2.gz GWPFPVJAIWOGDX-WDEREUQCSA-N 1 2 247.342 1.865 20 30 BDEDLO CC[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866388725 589489258 /nfs/dbraw/zinc/48/92/58/589489258.db2.gz FXCRSZSNMJVHRJ-MWLCHTKSSA-N 1 2 234.299 1.685 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866391601 589489557 /nfs/dbraw/zinc/48/95/57/589489557.db2.gz LRXLJXQYTAYTKZ-IRUJWGPZSA-N 1 2 237.274 1.595 20 30 BDEDLO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc(C#N)c1O ZINC000866489385 589497314 /nfs/dbraw/zinc/49/73/14/589497314.db2.gz LYEINKYKDYQTMQ-ICCXJUOJSA-N 1 2 246.310 1.828 20 30 BDEDLO C#CCCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868397173 589556728 /nfs/dbraw/zinc/55/67/28/589556728.db2.gz VVXUYSRRTDSWNR-UHFFFAOYSA-N 1 2 234.303 1.355 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000868412917 589557873 /nfs/dbraw/zinc/55/78/73/589557873.db2.gz LTUBBZZZKLAELS-UHFFFAOYSA-N 1 2 244.298 1.120 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)COC1CCC1 ZINC000871778541 589814093 /nfs/dbraw/zinc/81/40/93/589814093.db2.gz MPZQNSRMRMXABG-UHFFFAOYSA-N 1 2 218.684 1.806 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccnc(F)c1 ZINC000871913916 589831616 /nfs/dbraw/zinc/83/16/16/589831616.db2.gz GPNUUBVHWKFSPA-NSHDSACASA-N 1 2 232.262 1.754 20 30 BDEDLO N#CCC[NH2+]Cc1noc2ccc(F)cc21 ZINC000872227070 589897509 /nfs/dbraw/zinc/89/75/09/589897509.db2.gz ZRCCOQNHFSIGEW-UHFFFAOYSA-N 1 2 219.219 1.970 20 30 BDEDLO Cc1ccc(N=NCc2cn(C3CC3)c[nH+]2)nn1 ZINC000872350506 589916259 /nfs/dbraw/zinc/91/62/59/589916259.db2.gz UESJJHPJYCXMCA-UHFFFAOYSA-N 1 2 242.286 1.762 20 30 BDEDLO C(=NOC1CCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872376112 589925885 /nfs/dbraw/zinc/92/58/85/589925885.db2.gz FBZFFWHNDWVAIL-UHFFFAOYSA-N 1 2 216.244 1.813 20 30 BDEDLO Cc1ccnc(N)c1C=[NH+]N[C@H](C)C(F)(F)F ZINC000872381054 589928132 /nfs/dbraw/zinc/92/81/32/589928132.db2.gz VXMIWTBUXUBPQT-SSDOTTSWSA-N 1 2 246.236 1.847 20 30 BDEDLO c1cn(CCCNN=C2CC[C@@H]3C[C@H]23)c[nH+]1 ZINC000872387791 589930748 /nfs/dbraw/zinc/93/07/48/589930748.db2.gz SOMUCJAPQSUXJH-MNOVXSKESA-N 1 2 218.304 1.649 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872599951 589956216 /nfs/dbraw/zinc/95/62/16/589956216.db2.gz CTHODUVERXWRKS-LLVKDONJSA-N 1 2 223.320 1.352 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H]2CCCCN2C1=O ZINC000872599951 589956217 /nfs/dbraw/zinc/95/62/17/589956217.db2.gz CTHODUVERXWRKS-LLVKDONJSA-N 1 2 223.320 1.352 20 30 BDEDLO CCC[C@@H](CC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000875704221 590169090 /nfs/dbraw/zinc/16/90/90/590169090.db2.gz BILPNWZLMQRBTP-YPMHNXCESA-N 1 2 239.363 1.773 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C(=O)OC ZINC000877582999 590366303 /nfs/dbraw/zinc/36/63/03/590366303.db2.gz JWPHJAAFTHWYMW-SDDRHHMPSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)C(=O)OC ZINC000877584042 590366714 /nfs/dbraw/zinc/36/67/14/590366714.db2.gz WSPXGLKSEYWGSD-GUBZILKMSA-N 1 2 227.329 1.035 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc(Cl)cs1 ZINC000877640751 590382474 /nfs/dbraw/zinc/38/24/74/590382474.db2.gz RQMFTFMMJGJPIU-ZCFIWIBFSA-N 1 2 218.709 1.433 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)C[C@@H](C)CCC#N ZINC000877710642 590398215 /nfs/dbraw/zinc/39/82/15/590398215.db2.gz QFOWBUBQTHPVEA-NSHDSACASA-N 1 2 237.303 1.315 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H](C)CCC#N ZINC000877710642 590398218 /nfs/dbraw/zinc/39/82/18/590398218.db2.gz QFOWBUBQTHPVEA-NSHDSACASA-N 1 2 237.303 1.315 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000878385782 590558664 /nfs/dbraw/zinc/55/86/64/590558664.db2.gz RWRAVAVQIXHEAS-RYUDHWBXSA-N 1 2 241.331 1.461 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000878385782 590558665 /nfs/dbraw/zinc/55/86/65/590558665.db2.gz RWRAVAVQIXHEAS-RYUDHWBXSA-N 1 2 241.331 1.461 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000878409288 590562257 /nfs/dbraw/zinc/56/22/57/590562257.db2.gz IQHXALFZERWHTA-MNOVXSKESA-N 1 2 229.320 1.365 20 30 BDEDLO C#CCCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000878476016 590573747 /nfs/dbraw/zinc/57/37/47/590573747.db2.gz DYFZHRXDYDQOES-LLVKDONJSA-N 1 2 231.286 1.882 20 30 BDEDLO C#CCCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000878476016 590573749 /nfs/dbraw/zinc/57/37/49/590573749.db2.gz DYFZHRXDYDQOES-LLVKDONJSA-N 1 2 231.286 1.882 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccnn1CCC ZINC000878516381 590584918 /nfs/dbraw/zinc/58/49/18/590584918.db2.gz DORDDKNYICTVMY-LLVKDONJSA-N 1 2 248.330 1.185 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccnn1CCC ZINC000878516381 590584919 /nfs/dbraw/zinc/58/49/19/590584919.db2.gz DORDDKNYICTVMY-LLVKDONJSA-N 1 2 248.330 1.185 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000878663927 590605111 /nfs/dbraw/zinc/60/51/11/590605111.db2.gz UDUBKWPCUPUXLI-IUCAKERBSA-N 1 2 201.241 1.148 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000878663927 590605113 /nfs/dbraw/zinc/60/51/13/590605113.db2.gz UDUBKWPCUPUXLI-IUCAKERBSA-N 1 2 201.241 1.148 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000878705358 590612811 /nfs/dbraw/zinc/61/28/11/590612811.db2.gz VEUQTOUYKVRZEI-STQMWFEESA-N 1 2 237.343 1.526 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000878705358 590612813 /nfs/dbraw/zinc/61/28/13/590612813.db2.gz VEUQTOUYKVRZEI-STQMWFEESA-N 1 2 237.343 1.526 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878772078 590621067 /nfs/dbraw/zinc/62/10/67/590621067.db2.gz DTBVPTQSGOWQIV-PHIMTYICSA-N 1 2 227.739 1.657 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878772078 590621069 /nfs/dbraw/zinc/62/10/69/590621069.db2.gz DTBVPTQSGOWQIV-PHIMTYICSA-N 1 2 227.739 1.657 20 30 BDEDLO CCCCCCNC(=O)C[NH2+][C@H](C)CC#N ZINC000878816000 590627241 /nfs/dbraw/zinc/62/72/41/590627241.db2.gz BDKWYACSHUHEPY-LLVKDONJSA-N 1 2 225.336 1.575 20 30 BDEDLO C#CC[N@@H+](Cc1cncc(C)c1)C1CSC1 ZINC000878909561 590644703 /nfs/dbraw/zinc/64/47/03/590644703.db2.gz GAWMRUHHDNYQEA-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@H+](Cc1cncc(C)c1)C1CSC1 ZINC000878909561 590644705 /nfs/dbraw/zinc/64/47/05/590644705.db2.gz GAWMRUHHDNYQEA-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(OC)nn1)C1CSC1 ZINC000878910031 590647045 /nfs/dbraw/zinc/64/70/45/590647045.db2.gz MNMCFGZZQJMRMC-UHFFFAOYSA-N 1 2 249.339 1.036 20 30 BDEDLO C#CC[N@H+](Cc1ccc(OC)nn1)C1CSC1 ZINC000878910031 590647049 /nfs/dbraw/zinc/64/70/49/590647049.db2.gz MNMCFGZZQJMRMC-UHFFFAOYSA-N 1 2 249.339 1.036 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)OC ZINC000879052156 590687555 /nfs/dbraw/zinc/68/75/55/590687555.db2.gz MHUZXQTZAAZAFG-OSUNSFLBSA-N 1 2 241.331 1.506 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)CCC#N ZINC000879188633 590710532 /nfs/dbraw/zinc/71/05/32/590710532.db2.gz OLEWARNOAUNAQT-SECBINFHSA-N 1 2 206.293 1.842 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)CCC#N ZINC000879188633 590710534 /nfs/dbraw/zinc/71/05/34/590710534.db2.gz OLEWARNOAUNAQT-SECBINFHSA-N 1 2 206.293 1.842 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000879225344 590717877 /nfs/dbraw/zinc/71/78/77/590717877.db2.gz YYAKRWHQRHUKOT-SNVBAGLBSA-N 1 2 247.342 1.986 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000879225344 590717879 /nfs/dbraw/zinc/71/78/79/590717879.db2.gz YYAKRWHQRHUKOT-SNVBAGLBSA-N 1 2 247.342 1.986 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1CC(C)(C)C1 ZINC000879472261 590775454 /nfs/dbraw/zinc/77/54/54/590775454.db2.gz VOALFZLGQHHGHZ-UHFFFAOYSA-N 1 2 238.331 1.811 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1CC(C)(C)C1 ZINC000879472261 590775457 /nfs/dbraw/zinc/77/54/57/590775457.db2.gz VOALFZLGQHHGHZ-UHFFFAOYSA-N 1 2 238.331 1.811 20 30 BDEDLO CNC(=O)C[N@H+](CCCC#N)Cc1ccccc1 ZINC000879753776 590864724 /nfs/dbraw/zinc/86/47/24/590864724.db2.gz HNTAOBNNMPRYRT-UHFFFAOYSA-N 1 2 245.326 1.538 20 30 BDEDLO CNC(=O)C[N@@H+](CCCC#N)Cc1ccccc1 ZINC000879753776 590864727 /nfs/dbraw/zinc/86/47/27/590864727.db2.gz HNTAOBNNMPRYRT-UHFFFAOYSA-N 1 2 245.326 1.538 20 30 BDEDLO C=C1CN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000882613735 591399258 /nfs/dbraw/zinc/39/92/58/591399258.db2.gz VWILPZHOAGHBTF-UHFFFAOYSA-N 1 2 243.314 1.958 20 30 BDEDLO C=CCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000131596555 591625059 /nfs/dbraw/zinc/62/50/59/591625059.db2.gz FMQNACCKSOIITG-UHFFFAOYSA-N 1 2 206.245 1.518 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(Cl)nc1 ZINC000131993425 591681937 /nfs/dbraw/zinc/68/19/37/591681937.db2.gz MCXQBCSPSVWXFE-ZETCQYMHSA-N 1 2 243.694 1.559 20 30 BDEDLO C=CCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800159476 591829086 /nfs/dbraw/zinc/82/90/86/591829086.db2.gz NKHUWYMVKQRILI-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C=CCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800159476 591829088 /nfs/dbraw/zinc/82/90/88/591829088.db2.gz NKHUWYMVKQRILI-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C#CCC[C@H](O)CNc1cc[nH+]c(CC)n1 ZINC000884496061 591956593 /nfs/dbraw/zinc/95/65/93/591956593.db2.gz LHRXRZDLLQQVHG-JTQLQIEISA-N 1 2 219.288 1.225 20 30 BDEDLO CC(C)CCON=C(N)C[NH+]1CCSCC1 ZINC000136077362 592091918 /nfs/dbraw/zinc/09/19/18/592091918.db2.gz MWZJQGNNBUVRCU-UHFFFAOYSA-N 1 2 245.392 1.370 20 30 BDEDLO CC1(C#N)C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886183948 592172032 /nfs/dbraw/zinc/17/20/32/592172032.db2.gz QUTPNMHJNFVOEE-CMPLNLGQSA-N 1 2 206.289 1.258 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@](C)(O)C(F)F ZINC000886215761 592178286 /nfs/dbraw/zinc/17/82/86/592178286.db2.gz QLCAZZSATSRKSS-SNVBAGLBSA-N 1 2 218.247 1.404 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@](C)(O)C(F)F ZINC000886215761 592178288 /nfs/dbraw/zinc/17/82/88/592178288.db2.gz QLCAZZSATSRKSS-SNVBAGLBSA-N 1 2 218.247 1.404 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@@H]1C[C@]12CCOC2)C1CC1 ZINC000886278460 592197188 /nfs/dbraw/zinc/19/71/88/592197188.db2.gz AGSJGBGKTBSAKZ-MDZLAQPJSA-N 1 2 220.316 1.789 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CC1 ZINC000886278460 592197189 /nfs/dbraw/zinc/19/71/89/592197189.db2.gz AGSJGBGKTBSAKZ-MDZLAQPJSA-N 1 2 220.316 1.789 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000219213811 592217017 /nfs/dbraw/zinc/21/70/17/592217017.db2.gz PLGQEMVAEMRBGW-UHFFFAOYSA-N 1 2 248.301 1.900 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886609831 592274417 /nfs/dbraw/zinc/27/44/17/592274417.db2.gz FRQJRYSSVOWMGW-JTQLQIEISA-N 1 2 246.314 1.337 20 30 BDEDLO C#CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000886797883 592330321 /nfs/dbraw/zinc/33/03/21/592330321.db2.gz FJTZMYCXDMBXAV-UHFFFAOYSA-N 1 2 217.272 1.014 20 30 BDEDLO C=C(CC)C[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886946843 592401008 /nfs/dbraw/zinc/40/10/08/592401008.db2.gz SCWNOUPSMBPPNM-VXGBXAGGSA-N 1 2 241.331 1.653 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000826663563 592703464 /nfs/dbraw/zinc/70/34/64/592703464.db2.gz LLHGYBITDVUCTJ-SECBINFHSA-N 1 2 244.298 1.333 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC000949609164 631696389 /nfs/dbraw/zinc/69/63/89/631696389.db2.gz ZSLUQCIWKXJAPG-JQWIXIFHSA-N 1 2 222.332 1.361 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C)s1 ZINC000934461550 631857813 /nfs/dbraw/zinc/85/78/13/631857813.db2.gz YTJFTMXBQKDMJU-SECBINFHSA-N 1 2 209.318 1.997 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C)s1 ZINC000934461550 631857817 /nfs/dbraw/zinc/85/78/17/631857817.db2.gz YTJFTMXBQKDMJU-SECBINFHSA-N 1 2 209.318 1.997 20 30 BDEDLO C[C@@H](O)c1ncc(C[NH2+]C[C@H](C)C#N)s1 ZINC000309117886 631887406 /nfs/dbraw/zinc/88/74/06/631887406.db2.gz MKBSMOITUCFNSL-HTQZYQBOSA-N 1 2 225.317 1.446 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)C(=O)OC ZINC000934623090 631986511 /nfs/dbraw/zinc/98/65/11/631986511.db2.gz YPHBCQPHBLPRAR-OUAUKWLOSA-N 1 2 209.289 1.658 20 30 BDEDLO COC[C@@H](CC/[NH+]=C\c1ccccc1O)OC ZINC000849170292 632057873 /nfs/dbraw/zinc/05/78/73/632057873.db2.gz NKRQBEMVCSBMGZ-OJLMPMFISA-N 1 2 237.299 1.863 20 30 BDEDLO N#CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000309562678 632531327 /nfs/dbraw/zinc/53/13/27/632531327.db2.gz JUKZJSQXHMNKRE-UHFFFAOYSA-N 1 2 216.244 1.673 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H]1CC1(Cl)Cl ZINC000308199622 633197389 /nfs/dbraw/zinc/19/73/89/633197389.db2.gz WSOWMVOMTJQDCF-SECBINFHSA-N 1 2 216.111 1.749 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309580023 633205550 /nfs/dbraw/zinc/20/55/50/633205550.db2.gz PYPMKZJUBSYNKP-SECBINFHSA-N 1 2 245.681 1.821 20 30 BDEDLO Cc1cnc(CO[NH+]=C(N)c2ccccc2)o1 ZINC000174067997 633733543 /nfs/dbraw/zinc/73/35/43/633733543.db2.gz IWFPUUWJXRTSMU-UHFFFAOYSA-N 1 2 231.255 1.820 20 30 BDEDLO Cn1c[nH+]cc1CCCn1cc(C#N)ccc1=O ZINC000314295864 633786203 /nfs/dbraw/zinc/78/62/03/633786203.db2.gz DEFALTZTGZTRCI-UHFFFAOYSA-N 1 2 242.282 1.086 20 30 BDEDLO C#CCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000309370777 633902737 /nfs/dbraw/zinc/90/27/37/633902737.db2.gz QKDDBLPLFUNWRW-LLVKDONJSA-N 1 2 225.332 1.966 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000893545641 635132709 /nfs/dbraw/zinc/13/27/09/635132709.db2.gz VHZKUHYKXRKHMZ-NSHDSACASA-N 1 2 245.326 1.638 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC2(F)F)C1 ZINC000950026179 635177040 /nfs/dbraw/zinc/17/70/40/635177040.db2.gz NWCQMANYBUZYFD-JTQLQIEISA-N 1 2 244.285 1.360 20 30 BDEDLO Cn1cccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000336697270 635218940 /nfs/dbraw/zinc/21/89/40/635218940.db2.gz MHDOSNNBTYJMKN-UHFFFAOYSA-N 1 2 232.312 1.643 20 30 BDEDLO Cn1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896504795 636197917 /nfs/dbraw/zinc/19/79/17/636197917.db2.gz UNVQNGPFGUKFSP-LLVKDONJSA-N 1 2 203.289 1.761 20 30 BDEDLO Cn1ccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896504795 636197922 /nfs/dbraw/zinc/19/79/22/636197922.db2.gz UNVQNGPFGUKFSP-LLVKDONJSA-N 1 2 203.289 1.761 20 30 BDEDLO C#CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000928624818 636216163 /nfs/dbraw/zinc/21/61/63/636216163.db2.gz IACVRJSODICXFF-GFCCVEGCSA-N 1 2 245.326 1.316 20 30 BDEDLO C=CCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179514022 636570696 /nfs/dbraw/zinc/57/06/96/636570696.db2.gz KFVALUSNCVOVDL-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO CC(C)(CNC(=O)CC1(C#N)CC1)n1cc[nH+]c1 ZINC000898909833 637063803 /nfs/dbraw/zinc/06/38/03/637063803.db2.gz WCFWDNLRFXTIMS-UHFFFAOYSA-N 1 2 246.314 1.428 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1C[C@H](OCC)C1)C(=O)OC ZINC000905776346 637907200 /nfs/dbraw/zinc/90/72/00/637907200.db2.gz AXWAXSVJVHFWSP-GMTAPVOTSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@@H]([NH2+]CC[C@@H]1CCCS1)C(=O)OC ZINC000905777339 637909144 /nfs/dbraw/zinc/90/91/44/637909144.db2.gz KLVCNYJBJOOJKH-WDEREUQCSA-N 1 2 243.372 1.979 20 30 BDEDLO C=CC[C@H]([NH2+]CC(C)(C)SC)C(=O)OC ZINC000905762162 637916779 /nfs/dbraw/zinc/91/67/79/637916779.db2.gz RBKCBJRTHPKWIA-VIFPVBQESA-N 1 2 231.361 1.835 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000905764285 637919645 /nfs/dbraw/zinc/91/96/45/637919645.db2.gz HEBGDXGOYHZHHC-QWRGUYRKSA-N 1 2 225.288 1.386 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C(=O)OC ZINC000905767868 637922546 /nfs/dbraw/zinc/92/25/46/637922546.db2.gz OZNPIVSUONCAFX-DGCLKSJQSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CC12CCOCC2)C(=O)OC ZINC000905772260 637926972 /nfs/dbraw/zinc/92/69/72/637926972.db2.gz XSRJDAFZEUFSKF-MNOVXSKESA-N 1 2 239.315 1.263 20 30 BDEDLO CC[C@@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000905771521 637927310 /nfs/dbraw/zinc/92/73/10/637927310.db2.gz JWGMQPYJZQGBAH-KXNHARMFSA-N 1 2 238.331 1.856 20 30 BDEDLO CC[C@H](C)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000905771522 637927708 /nfs/dbraw/zinc/92/77/08/637927708.db2.gz JWGMQPYJZQGBAH-NNYUYHANSA-N 1 2 238.331 1.856 20 30 BDEDLO C=CCOCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907270956 638332422 /nfs/dbraw/zinc/33/24/22/638332422.db2.gz TZPBUFSAPJMIMJ-UHFFFAOYSA-N 1 2 248.326 1.939 20 30 BDEDLO C=CCCCCNC(=O)CNc1cccc[nH+]1 ZINC000907446569 638386579 /nfs/dbraw/zinc/38/65/79/638386579.db2.gz NJPIWGCVZPPPSY-UHFFFAOYSA-N 1 2 233.315 1.966 20 30 BDEDLO C=C(C)CCNC(=O)CNc1cccc[nH+]1 ZINC000908930023 639103905 /nfs/dbraw/zinc/10/39/05/639103905.db2.gz RBAAFCWKCHHGOS-UHFFFAOYSA-N 1 2 219.288 1.576 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000911513999 639660613 /nfs/dbraw/zinc/66/06/13/639660613.db2.gz HNUHFCYJNBMFIK-LLVKDONJSA-N 1 2 231.299 1.214 20 30 BDEDLO C#C[C@@H]1COCCN1Cc1cc(C)cc(C)[nH+]1 ZINC000930706147 639872589 /nfs/dbraw/zinc/87/25/89/639872589.db2.gz VNEZHJCICGTXGJ-CQSZACIVSA-N 1 2 230.311 1.532 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000912046494 639934675 /nfs/dbraw/zinc/93/46/75/639934675.db2.gz GWOTUHZIUXRTGF-GFCCVEGCSA-N 1 2 243.310 1.365 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cncc(C#N)c1 ZINC000930869208 639958346 /nfs/dbraw/zinc/95/83/46/639958346.db2.gz WJLLDJIWOLWRCH-VIFPVBQESA-N 1 2 200.245 1.345 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1cncc(C#N)c1 ZINC000930869193 639960175 /nfs/dbraw/zinc/96/01/75/639960175.db2.gz WJLLDJIWOLWRCH-SECBINFHSA-N 1 2 200.245 1.345 20 30 BDEDLO C=CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000912390362 640050058 /nfs/dbraw/zinc/05/00/58/640050058.db2.gz ZGOVNIUEPCHOFV-LLVKDONJSA-N 1 2 233.315 1.767 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc(C(C)C)ns1 ZINC000931067749 640055732 /nfs/dbraw/zinc/05/57/32/640055732.db2.gz SEYFXWMGHSRHFL-MRVPVSSYSA-N 1 2 227.333 1.298 20 30 BDEDLO C[C@H]1C[N@H+](C[C@H](O)CC#N)C[C@@](C)(C(F)F)O1 ZINC000931080082 640061113 /nfs/dbraw/zinc/06/11/13/640061113.db2.gz PMDPMHRICPVWJA-NGZCFLSTSA-N 1 2 248.273 1.005 20 30 BDEDLO C[C@H]1C[N@@H+](C[C@H](O)CC#N)C[C@@](C)(C(F)F)O1 ZINC000931080082 640061119 /nfs/dbraw/zinc/06/11/19/640061119.db2.gz PMDPMHRICPVWJA-NGZCFLSTSA-N 1 2 248.273 1.005 20 30 BDEDLO CCN(C(=O)CNc1cccc[nH+]1)[C@@H](C)C#N ZINC000912687374 640166300 /nfs/dbraw/zinc/16/63/00/640166300.db2.gz POIBMXRQGNIPII-JTQLQIEISA-N 1 2 232.287 1.254 20 30 BDEDLO C=CC(C)(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912979095 640260659 /nfs/dbraw/zinc/26/06/59/640260659.db2.gz VXOVIDIBDDTXEI-UHFFFAOYSA-N 1 2 221.304 1.671 20 30 BDEDLO Cc1noc(CCC[N@@H+]2CCC[C@H](C#N)C2)n1 ZINC000932152850 640443286 /nfs/dbraw/zinc/44/32/86/640443286.db2.gz UBLOJCSBAXUTCG-LLVKDONJSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1noc(CCC[N@H+]2CCC[C@H](C#N)C2)n1 ZINC000932152850 640443289 /nfs/dbraw/zinc/44/32/89/640443289.db2.gz UBLOJCSBAXUTCG-LLVKDONJSA-N 1 2 234.303 1.546 20 30 BDEDLO CCOC(=O)CCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932152497 640443374 /nfs/dbraw/zinc/44/33/74/640443374.db2.gz JPHZXYYKQPJBEE-NSHDSACASA-N 1 2 224.304 1.565 20 30 BDEDLO CCOC(=O)CCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932152497 640443378 /nfs/dbraw/zinc/44/33/78/640443378.db2.gz JPHZXYYKQPJBEE-NSHDSACASA-N 1 2 224.304 1.565 20 30 BDEDLO C#CC[N@@H+](Cc1nn(CC)nc1C)C(C)(C)C ZINC000932461397 640532701 /nfs/dbraw/zinc/53/27/01/640532701.db2.gz BJOZJZSIMNHGLV-UHFFFAOYSA-N 1 2 234.347 1.840 20 30 BDEDLO C#CC[N@H+](Cc1nn(CC)nc1C)C(C)(C)C ZINC000932461397 640532710 /nfs/dbraw/zinc/53/27/10/640532710.db2.gz BJOZJZSIMNHGLV-UHFFFAOYSA-N 1 2 234.347 1.840 20 30 BDEDLO C#CC[N@H+](Cc1ncccn1)C(C)(C)C ZINC000932462445 640535078 /nfs/dbraw/zinc/53/50/78/640535078.db2.gz ZJEGTPIFRMBGAD-UHFFFAOYSA-N 1 2 203.289 1.710 20 30 BDEDLO C#CC[N@@H+](Cc1ncccn1)C(C)(C)C ZINC000932462445 640535083 /nfs/dbraw/zinc/53/50/83/640535083.db2.gz ZJEGTPIFRMBGAD-UHFFFAOYSA-N 1 2 203.289 1.710 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030053992 640553235 /nfs/dbraw/zinc/55/32/35/640553235.db2.gz KGYWYMNUTKXMLZ-UHFFFAOYSA-N 1 2 231.299 1.072 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932826279 640614752 /nfs/dbraw/zinc/61/47/52/640614752.db2.gz JTJDABQVTRYJBM-NSHDSACASA-N 1 2 233.315 1.869 20 30 BDEDLO Cc1ccc(C[NH+]2CCN(CCC#N)CC2)nc1 ZINC000591020656 640642044 /nfs/dbraw/zinc/64/20/44/640642044.db2.gz WORQYVBOGYXYAI-UHFFFAOYSA-N 1 2 244.342 1.421 20 30 BDEDLO C#CCC1([NH2+]CC(=O)OC)CCCCC1 ZINC000933265652 640692272 /nfs/dbraw/zinc/69/22/72/640692272.db2.gz HYMIZEIDMKEPCK-UHFFFAOYSA-N 1 2 209.289 1.475 20 30 BDEDLO COCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933622117 640735349 /nfs/dbraw/zinc/73/53/49/640735349.db2.gz ISAGAKVOKFVPOO-CQSZACIVSA-N 1 2 246.310 1.578 20 30 BDEDLO COCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933622117 640735353 /nfs/dbraw/zinc/73/53/53/640735353.db2.gz ISAGAKVOKFVPOO-CQSZACIVSA-N 1 2 246.310 1.578 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001030510098 640891484 /nfs/dbraw/zinc/89/14/84/640891484.db2.gz LQPIACDXTNZEFD-LBPRGKRZSA-N 1 2 234.343 1.719 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001030562823 640918509 /nfs/dbraw/zinc/91/85/09/640918509.db2.gz LHZNJSKSANLTOU-MDZLAQPJSA-N 1 2 234.343 1.409 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000229900355 640993879 /nfs/dbraw/zinc/99/38/79/640993879.db2.gz VCIMSJXIVGOBES-LBPRGKRZSA-N 1 2 240.310 1.769 20 30 BDEDLO Cn1nccc1CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000230761120 641098595 /nfs/dbraw/zinc/09/85/95/641098595.db2.gz NKJWASQWFLQANI-LLVKDONJSA-N 1 2 218.304 1.198 20 30 BDEDLO Cn1nccc1CC[N@H+]1CCC[C@H](C#N)C1 ZINC000230761120 641098597 /nfs/dbraw/zinc/09/85/97/641098597.db2.gz NKJWASQWFLQANI-LLVKDONJSA-N 1 2 218.304 1.198 20 30 BDEDLO C#CC1(O)C[NH+]([C@@H](CCOC)c2ccccc2)C1 ZINC000934450081 641148133 /nfs/dbraw/zinc/14/81/33/641148133.db2.gz OYROHNHQXJYUFX-AWEZNQCLSA-N 1 2 245.322 1.444 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnnn1C1CC1 ZINC000934473117 641167890 /nfs/dbraw/zinc/16/78/90/641167890.db2.gz WPGHJTSVPBKHQL-VIFPVBQESA-N 1 2 219.292 1.158 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nnnn1C1CC1 ZINC000934473117 641167895 /nfs/dbraw/zinc/16/78/95/641167895.db2.gz WPGHJTSVPBKHQL-VIFPVBQESA-N 1 2 219.292 1.158 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)C(C)C ZINC000934512606 641182090 /nfs/dbraw/zinc/18/20/90/641182090.db2.gz RTEDAMDEASSKAU-GFCCVEGCSA-N 1 2 243.372 1.297 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)C(C)C ZINC000934512606 641182093 /nfs/dbraw/zinc/18/20/93/641182093.db2.gz RTEDAMDEASSKAU-GFCCVEGCSA-N 1 2 243.372 1.297 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)ccc1C#N ZINC000934570252 641199928 /nfs/dbraw/zinc/19/99/28/641199928.db2.gz CTDWGGUTEXYGFN-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)ccc1C#N ZINC000934570252 641199938 /nfs/dbraw/zinc/19/99/38/641199938.db2.gz CTDWGGUTEXYGFN-KGLIPLIRSA-N 1 2 248.301 1.771 20 30 BDEDLO N#CCC1(C[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000934568036 641201064 /nfs/dbraw/zinc/20/10/64/641201064.db2.gz SKDIJWLBVRPIDI-NXEZZACHSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CCC1(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000934568036 641201074 /nfs/dbraw/zinc/20/10/74/641201074.db2.gz SKDIJWLBVRPIDI-NXEZZACHSA-N 1 2 212.268 1.085 20 30 BDEDLO C#CC[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934798594 641274874 /nfs/dbraw/zinc/27/48/74/641274874.db2.gz MNBVTDJYXSGAKX-AOOOYVTPSA-N 1 2 234.265 1.577 20 30 BDEDLO C#CC[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934798594 641274892 /nfs/dbraw/zinc/27/48/92/641274892.db2.gz MNBVTDJYXSGAKX-AOOOYVTPSA-N 1 2 234.265 1.577 20 30 BDEDLO C=CCC[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)C ZINC000934817783 641278453 /nfs/dbraw/zinc/27/84/53/641278453.db2.gz GYNYCCZVBVSJMS-NSHDSACASA-N 1 2 243.347 1.633 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C3CC3)CCC2)C1 ZINC001030748574 641331905 /nfs/dbraw/zinc/33/19/05/641331905.db2.gz CLXNLINTKOFALM-UHFFFAOYSA-N 1 2 248.370 1.943 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(C)c2)C1 ZINC001030879547 641398427 /nfs/dbraw/zinc/39/84/27/641398427.db2.gz LXJBIQRSQSTETF-UHFFFAOYSA-N 1 2 244.338 1.524 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2C[C@H]2C)C1 ZINC001030898481 641408061 /nfs/dbraw/zinc/40/80/61/641408061.db2.gz UBNMPOUAYPDULC-GHMZBOCLSA-N 1 2 222.332 1.409 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2C[C@H]2C)C1 ZINC001030898482 641408688 /nfs/dbraw/zinc/40/86/88/641408688.db2.gz UBNMPOUAYPDULC-MNOVXSKESA-N 1 2 222.332 1.409 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2C[C@@H]2C)C1 ZINC001030903021 641412535 /nfs/dbraw/zinc/41/25/35/641412535.db2.gz VRDPYNAOJMCZOD-VHSXEESVSA-N 1 2 208.305 1.019 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001031019884 641597933 /nfs/dbraw/zinc/59/79/33/641597933.db2.gz JSFBTGNFOAERNF-LBPRGKRZSA-N 1 2 234.343 1.553 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC001031048924 641651914 /nfs/dbraw/zinc/65/19/14/641651914.db2.gz WLEORUKNIJTYDM-NWDGAFQWSA-N 1 2 234.343 1.246 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(C)c2)C1 ZINC001031123986 641720188 /nfs/dbraw/zinc/72/01/88/641720188.db2.gz QXYKUUIGRVKBOQ-UHFFFAOYSA-N 1 2 245.326 1.380 20 30 BDEDLO C=CC[N@@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000189766368 641818610 /nfs/dbraw/zinc/81/86/10/641818610.db2.gz ILHRRBWWODOSCJ-UHFFFAOYSA-N 1 2 246.310 1.726 20 30 BDEDLO C=CC[N@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000189766368 641818615 /nfs/dbraw/zinc/81/86/15/641818615.db2.gz ILHRRBWWODOSCJ-UHFFFAOYSA-N 1 2 246.310 1.726 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000948971038 641835111 /nfs/dbraw/zinc/83/51/11/641835111.db2.gz AQMLOFFVFIASAP-RDBSUJKOSA-N 1 2 248.370 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000949345927 641836403 /nfs/dbraw/zinc/83/64/03/641836403.db2.gz ZPNFTJXHEACRRO-UHFFFAOYSA-N 1 2 237.278 1.098 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)c1cc(C#N)c[nH]1 ZINC000837558007 641858079 /nfs/dbraw/zinc/85/80/79/641858079.db2.gz INSHXTBINDMCIL-UHFFFAOYSA-N 1 2 244.254 1.019 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(CC)CC2)CC1 ZINC000950062422 641885991 /nfs/dbraw/zinc/88/59/91/641885991.db2.gz RACNTXZTUBSIJR-UHFFFAOYSA-N 1 2 222.332 1.507 20 30 BDEDLO CN(CCC#N)c1cc(N)[nH+]cc1Cl ZINC000891401891 711511978 /nfs/dbraw/zinc/51/19/78/711511978.db2.gz KNNLHTSCVLWRGO-UHFFFAOYSA-N 1 2 210.668 1.667 20 30 BDEDLO C=CCN(C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000918060252 642164767 /nfs/dbraw/zinc/16/47/67/642164767.db2.gz IEQCGBLWJNRUPH-UHFFFAOYSA-N 1 2 236.319 1.489 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000154982349 642340215 /nfs/dbraw/zinc/34/02/15/642340215.db2.gz GOVCUVXAHCZFDQ-LBPRGKRZSA-N 1 2 245.326 1.473 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000154982349 642340220 /nfs/dbraw/zinc/34/02/20/642340220.db2.gz GOVCUVXAHCZFDQ-LBPRGKRZSA-N 1 2 245.326 1.473 20 30 BDEDLO C[C@H](C#N)C[N@H+](Cc1ccc(N)nc1)C1CC1 ZINC000930085546 642358811 /nfs/dbraw/zinc/35/88/11/642358811.db2.gz ADAFISQPEVXODM-SNVBAGLBSA-N 1 2 230.315 1.788 20 30 BDEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(N)nc1)C1CC1 ZINC000930085546 642358818 /nfs/dbraw/zinc/35/88/18/642358818.db2.gz ADAFISQPEVXODM-SNVBAGLBSA-N 1 2 230.315 1.788 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)C1 ZINC001009879265 642842940 /nfs/dbraw/zinc/84/29/40/642842940.db2.gz ATFIECOQBBJVDX-LLVKDONJSA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)C1 ZINC001009879265 642842941 /nfs/dbraw/zinc/84/29/41/642842941.db2.gz ATFIECOQBBJVDX-LLVKDONJSA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001010221617 642853657 /nfs/dbraw/zinc/85/36/57/642853657.db2.gz WYLVGAZKKVAXTI-SNVBAGLBSA-N 1 2 230.739 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001010221617 642853661 /nfs/dbraw/zinc/85/36/61/642853661.db2.gz WYLVGAZKKVAXTI-SNVBAGLBSA-N 1 2 230.739 1.585 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001017463363 642978713 /nfs/dbraw/zinc/97/87/13/642978713.db2.gz ZETAQGNJUOAGMU-TVEFPQPASA-N 1 2 246.354 1.651 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001017463363 642978722 /nfs/dbraw/zinc/97/87/22/642978722.db2.gz ZETAQGNJUOAGMU-TVEFPQPASA-N 1 2 246.354 1.651 20 30 BDEDLO C=C(C)C[N@@H+](C)Cn1cc(C(=O)OCC)cn1 ZINC000182623621 643047124 /nfs/dbraw/zinc/04/71/24/643047124.db2.gz QFAFLPYJUXYNOT-UHFFFAOYSA-N 1 2 237.303 1.525 20 30 BDEDLO C=C(C)C[N@H+](C)Cn1cc(C(=O)OCC)cn1 ZINC000182623621 643047132 /nfs/dbraw/zinc/04/71/32/643047132.db2.gz QFAFLPYJUXYNOT-UHFFFAOYSA-N 1 2 237.303 1.525 20 30 BDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(C)=O)C1 ZINC000969166559 643090841 /nfs/dbraw/zinc/09/08/41/643090841.db2.gz DAULGOCXQSEZSP-MRVPVSSYSA-N 1 2 216.712 1.195 20 30 BDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(C)=O)C1 ZINC000969166570 643091534 /nfs/dbraw/zinc/09/15/34/643091534.db2.gz DAULGOCXQSEZSP-QMMMGPOBSA-N 1 2 216.712 1.195 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)o1 ZINC001032266522 643415844 /nfs/dbraw/zinc/41/58/44/643415844.db2.gz PQXFGUDMXRDLRI-RYUDHWBXSA-N 1 2 246.310 1.673 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)o1 ZINC001032266522 643415847 /nfs/dbraw/zinc/41/58/47/643415847.db2.gz PQXFGUDMXRDLRI-RYUDHWBXSA-N 1 2 246.310 1.673 20 30 BDEDLO C=C(C[NH+](C)C)C(=O)N=[S@](C)(=O)C(C)C ZINC000926057847 643459799 /nfs/dbraw/zinc/45/97/99/643459799.db2.gz COKOBFQCZNLRAQ-OAHLLOKOSA-N 1 2 232.349 1.137 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CC1 ZINC001032337316 643525778 /nfs/dbraw/zinc/52/57/78/643525778.db2.gz WWDDXDWQBOOKNG-UBHSHLNASA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CC1 ZINC001032337316 643525789 /nfs/dbraw/zinc/52/57/89/643525789.db2.gz WWDDXDWQBOOKNG-UBHSHLNASA-N 1 2 246.354 1.341 20 30 BDEDLO N#C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000921543331 643594151 /nfs/dbraw/zinc/59/41/51/643594151.db2.gz KTDVNMIBWJCVNQ-NSHDSACASA-N 1 2 232.287 1.082 20 30 BDEDLO COCCN(C)c1ccc(C[NH2+]CCC#N)cn1 ZINC000425992022 643901295 /nfs/dbraw/zinc/90/12/95/643901295.db2.gz ZXCHEEYYMNGFHX-UHFFFAOYSA-N 1 2 248.330 1.167 20 30 BDEDLO C#CCCCCC(=O)OCc1ccc[nH+]c1N ZINC000922579997 644032982 /nfs/dbraw/zinc/03/29/82/644032982.db2.gz AIMWHPABDUTPRO-UHFFFAOYSA-N 1 2 232.283 1.901 20 30 BDEDLO Nc1ccc(COC(=O)C#CC2CC2)c[nH+]1 ZINC000922791800 644096874 /nfs/dbraw/zinc/09/68/74/644096874.db2.gz NEUCJOSVQDBPMO-UHFFFAOYSA-N 1 2 216.240 1.120 20 30 BDEDLO CC(C)(C)C(=O)NCC/[NH+]=C/c1ccccc1O ZINC000195331374 644376756 /nfs/dbraw/zinc/37/67/56/644376756.db2.gz VSTOTMGBKFDKIZ-XNTDXEJSSA-N 1 2 248.326 1.973 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000956970190 644672489 /nfs/dbraw/zinc/67/24/89/644672489.db2.gz BIQGIKRGKNIHRY-TZMCWYRMSA-N 1 2 236.359 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000956970187 644672691 /nfs/dbraw/zinc/67/26/91/644672691.db2.gz BIQGIKRGKNIHRY-GXTWGEPZSA-N 1 2 236.359 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000957641928 644746181 /nfs/dbraw/zinc/74/61/81/644746181.db2.gz GPVXRICXBXDRGH-UHFFFAOYSA-N 1 2 233.315 1.267 20 30 BDEDLO C#CC1CC[NH+](Cc2nnc(CC)s2)CC1 ZINC000830345450 645121163 /nfs/dbraw/zinc/12/11/63/645121163.db2.gz DDOBBTJTEMRBJH-UHFFFAOYSA-N 1 2 235.356 1.946 20 30 BDEDLO Oc1ccccc1/C=[NH+]\CC[C@]1(O)CCCOC1 ZINC000844270779 645319396 /nfs/dbraw/zinc/31/93/96/645319396.db2.gz JVIJOAHTCMTEJN-MKRLJBPISA-N 1 2 249.310 1.743 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000847017844 645416878 /nfs/dbraw/zinc/41/68/78/645416878.db2.gz FESVQYYHHKKDJP-QWRGUYRKSA-N 1 2 245.330 1.414 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000847017844 645416890 /nfs/dbraw/zinc/41/68/90/645416890.db2.gz FESVQYYHHKKDJP-QWRGUYRKSA-N 1 2 245.330 1.414 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)CCCCC#N ZINC000847689484 645430544 /nfs/dbraw/zinc/43/05/44/645430544.db2.gz ZZJZUEWTRHLJIG-UHFFFAOYSA-N 1 2 235.287 1.590 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000862579503 645702121 /nfs/dbraw/zinc/70/21/21/645702121.db2.gz YQCOMZDNGUHCLP-CHWSQXEVSA-N 1 2 245.326 1.706 20 30 BDEDLO C#CC[N@H+](Cc1cc2c(cn1)OCCO2)C1CC1 ZINC000877371939 645792621 /nfs/dbraw/zinc/79/26/21/645792621.db2.gz RRODCQIIVFSEQP-UHFFFAOYSA-N 1 2 244.294 1.450 20 30 BDEDLO C#CC[N@@H+](Cc1cc2c(cn1)OCCO2)C1CC1 ZINC000877371939 645792629 /nfs/dbraw/zinc/79/26/29/645792629.db2.gz RRODCQIIVFSEQP-UHFFFAOYSA-N 1 2 244.294 1.450 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2nccn2CC)CC1 ZINC000880479179 645833009 /nfs/dbraw/zinc/83/30/09/645833009.db2.gz LMRKTAWGLBFMGY-UHFFFAOYSA-N 1 2 247.342 1.253 20 30 BDEDLO C=CCC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886944163 645892311 /nfs/dbraw/zinc/89/23/11/645892311.db2.gz LUYMSWYHXPGJJC-QWRGUYRKSA-N 1 2 227.304 1.263 20 30 BDEDLO CC[C@@H]([NH2+][C@H](C)CO)c1cccc(C#N)c1O ZINC000924755179 646102142 /nfs/dbraw/zinc/10/21/42/646102142.db2.gz XKOGRJHKUKNSER-BXKDBHETSA-N 1 2 234.299 1.685 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925979820 646552000 /nfs/dbraw/zinc/55/20/00/646552000.db2.gz SEPCUFUZIMOOCP-JTQLQIEISA-N 1 2 249.314 1.252 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001038199983 710678928 /nfs/dbraw/zinc/67/89/28/710678928.db2.gz XUAWVNRANHENMK-NSHDSACASA-N 1 2 246.310 1.279 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001038199983 710678931 /nfs/dbraw/zinc/67/89/31/710678931.db2.gz XUAWVNRANHENMK-NSHDSACASA-N 1 2 246.310 1.279 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001038939703 710714674 /nfs/dbraw/zinc/71/46/74/710714674.db2.gz SDLQRJMOTCQXRH-IHRRRGAJSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001038939703 710714676 /nfs/dbraw/zinc/71/46/76/710714676.db2.gz SDLQRJMOTCQXRH-IHRRRGAJSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC001042457932 710784985 /nfs/dbraw/zinc/78/49/85/710784985.db2.gz HQWVALDWCNVOBS-LBPRGKRZSA-N 1 2 234.343 1.671 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C)CCCC2)C1 ZINC001043497314 710807319 /nfs/dbraw/zinc/80/73/19/710807319.db2.gz PJIHVCXRRGPYMX-UHFFFAOYSA-N 1 2 248.370 1.733 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001044137548 710820016 /nfs/dbraw/zinc/82/00/16/710820016.db2.gz GKGBCXDNVZXYRK-CYBMUJFWSA-N 1 2 248.370 1.895 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccccn2)C1 ZINC001042410941 710780355 /nfs/dbraw/zinc/78/03/55/710780355.db2.gz NRTOVUYTHIUWBN-UHFFFAOYSA-N 1 2 245.326 1.414 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccnc2)C1 ZINC001042414974 710780966 /nfs/dbraw/zinc/78/09/66/710780966.db2.gz ZFIICIVFDRPKHR-UHFFFAOYSA-N 1 2 245.326 1.414 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038140468 711592600 /nfs/dbraw/zinc/59/26/00/711592600.db2.gz KASZYHSDQSFUED-LLVKDONJSA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038140468 711592602 /nfs/dbraw/zinc/59/26/02/711592602.db2.gz KASZYHSDQSFUED-LLVKDONJSA-N 1 2 248.370 1.492 20 30 BDEDLO Cn1ncc(C=[NH+]OC/C=C\Cl)c1N ZINC000378852739 712366430 /nfs/dbraw/zinc/36/64/30/712366430.db2.gz HEZNGWOFGLAKQN-ISRORPQPSA-N 1 2 214.656 1.105 20 30 BDEDLO C=CCC1(O)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000717434663 712657928 /nfs/dbraw/zinc/65/79/28/712657928.db2.gz HXAVGWUDSPXJQR-UHFFFAOYSA-N 1 2 248.326 1.481 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc(NCCC)[nH+]cn1 ZINC000717715120 712666702 /nfs/dbraw/zinc/66/67/02/712666702.db2.gz BGZVXZSELPJAIW-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO CC#CC[C@H](CO)Nc1cc(NCCC)nc[nH+]1 ZINC000717715120 712666703 /nfs/dbraw/zinc/66/67/03/712666703.db2.gz BGZVXZSELPJAIW-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCCN2CCOC2=O)C1 ZINC000932159250 712716866 /nfs/dbraw/zinc/71/68/66/712716866.db2.gz WPDKWDSEGBOZJQ-NSHDSACASA-N 1 2 237.303 1.064 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCCN2CCOC2=O)C1 ZINC000932159250 712716867 /nfs/dbraw/zinc/71/68/67/712716867.db2.gz WPDKWDSEGBOZJQ-NSHDSACASA-N 1 2 237.303 1.064 20 30 BDEDLO C=CC[NH+]1CCN(c2ncc(F)cc2C#N)CC1 ZINC001165033082 721864335 /nfs/dbraw/zinc/86/43/35/721864335.db2.gz BEAJCWHAMINIEB-UHFFFAOYSA-N 1 2 246.289 1.400 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](CC)OC ZINC001267189286 959107621 /nfs/dbraw/zinc/10/76/21/959107621.db2.gz YAKHLOMKWMISAG-SNVBAGLBSA-N 1 2 248.754 1.212 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](CC)OC ZINC001267189286 959107633 /nfs/dbraw/zinc/10/76/33/959107633.db2.gz YAKHLOMKWMISAG-SNVBAGLBSA-N 1 2 248.754 1.212 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C#CC(C)C)C1 ZINC001268296926 961551194 /nfs/dbraw/zinc/55/11/94/961551194.db2.gz RCGKCGPXRSLJRI-UHFFFAOYSA-N 1 2 220.316 1.022 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@H](O)CCCC)C(=O)OC ZINC001252119651 968606486 /nfs/dbraw/zinc/60/64/86/968606486.db2.gz CXYVYKMLTMTVMY-DGCLKSJQSA-N 1 2 243.347 1.635 20 30 BDEDLO C=C[C@](C)(O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252546639 968785278 /nfs/dbraw/zinc/78/52/78/968785278.db2.gz BFROVCGFKAXPJZ-SKDRFNHKSA-N 1 2 222.288 1.484 20 30 BDEDLO C=C[C@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001253586837 969273451 /nfs/dbraw/zinc/27/34/51/969273451.db2.gz SQXFIKMPMZUXHR-LBPRGKRZSA-N 1 2 219.284 1.348 20 30 BDEDLO C=C[C@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001253586837 969273457 /nfs/dbraw/zinc/27/34/57/969273457.db2.gz SQXFIKMPMZUXHR-LBPRGKRZSA-N 1 2 219.284 1.348 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)CC(F)F)CC1 ZINC001113113568 970345243 /nfs/dbraw/zinc/34/52/43/970345243.db2.gz BTUCVJSGZKWFLD-JTQLQIEISA-N 1 2 246.301 1.608 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001255732373 970467372 /nfs/dbraw/zinc/46/73/72/970467372.db2.gz IUIMMXLKYBASJG-JTQLQIEISA-N 1 2 238.335 1.324 20 30 BDEDLO CC[C@@H]1C[C@@H]([NH+]2CC(C)(C#N)C2)CCO1 ZINC001170205064 970574022 /nfs/dbraw/zinc/57/40/22/970574022.db2.gz UEORMYSESDCQIL-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1O)C1(C)COC1 ZINC001232678717 978242964 /nfs/dbraw/zinc/24/29/64/978242964.db2.gz NGBQCWQCAVLONQ-UHFFFAOYSA-N 1 2 232.283 1.485 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C1(C)COC1 ZINC001232678717 978242978 /nfs/dbraw/zinc/24/29/78/978242978.db2.gz NGBQCWQCAVLONQ-UHFFFAOYSA-N 1 2 232.283 1.485 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(O)ccc(F)c1F ZINC001233334990 978565222 /nfs/dbraw/zinc/56/52/22/978565222.db2.gz CJJYJWYIFIBOKO-UHFFFAOYSA-N 1 2 211.211 1.735 20 30 BDEDLO C#CC[N@H+](C)Cc1c(O)ccc(F)c1F ZINC001233334990 978565226 /nfs/dbraw/zinc/56/52/26/978565226.db2.gz CJJYJWYIFIBOKO-UHFFFAOYSA-N 1 2 211.211 1.735 20 30 BDEDLO COc1ncc(-c2ccc[nH+]c2N)cc1C#N ZINC001243474850 970765600 /nfs/dbraw/zinc/76/56/00/970765600.db2.gz SLKZHISPIOFWSI-UHFFFAOYSA-N 1 2 226.239 1.606 20 30 BDEDLO CC(C)CC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001256363468 970769593 /nfs/dbraw/zinc/76/95/93/970769593.db2.gz KINSYEBFHGTBOT-NWDGAFQWSA-N 1 2 209.337 1.608 20 30 BDEDLO Cc1nc(C[N@@H+](C)C2CCC(C#N)CC2)no1 ZINC001256964312 971036838 /nfs/dbraw/zinc/03/68/38/971036838.db2.gz UPOUPUNFIPYKIO-UHFFFAOYSA-N 1 2 234.303 1.892 20 30 BDEDLO Cc1nc(C[N@H+](C)C2CCC(C#N)CC2)no1 ZINC001256964312 971036843 /nfs/dbraw/zinc/03/68/43/971036843.db2.gz UPOUPUNFIPYKIO-UHFFFAOYSA-N 1 2 234.303 1.892 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](CC)CCC)C(=O)OC ZINC001257251436 971147986 /nfs/dbraw/zinc/14/79/86/971147986.db2.gz PFMVIHFLBPDJGI-MNOVXSKESA-N 1 2 211.305 1.720 20 30 BDEDLO Cc1nc(NCc2ccc(C#N)c(F)c2)cc[nH+]1 ZINC000404683611 971177941 /nfs/dbraw/zinc/17/79/41/971177941.db2.gz MPTGMZPGUYFFFJ-UHFFFAOYSA-N 1 2 242.257 1.830 20 30 BDEDLO CC#Cc1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258057731 971582437 /nfs/dbraw/zinc/58/24/37/971582437.db2.gz JHXZRYDKERMNQX-PHIMTYICSA-N 1 2 249.314 1.093 20 30 BDEDLO CC#Cc1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258057731 971582445 /nfs/dbraw/zinc/58/24/45/971582445.db2.gz JHXZRYDKERMNQX-PHIMTYICSA-N 1 2 249.314 1.093 20 30 BDEDLO N#CC=C(O)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218286792 971682278 /nfs/dbraw/zinc/68/22/78/971682278.db2.gz UMUKUEHKHAMZLM-NSHDSACASA-N 1 2 244.294 1.914 20 30 BDEDLO CC(=O)NCc1ccc(NCCCS)[nH+]c1 ZINC001171000668 972224185 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/nfs/dbraw/zinc/38/61/66/972386166.db2.gz QBPVEAFHWWAFQI-VXGBXAGGSA-N 1 2 204.273 1.702 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000309028275 959562672 /nfs/dbraw/zinc/56/26/72/959562672.db2.gz CBIYRABOFGCKGF-UWVGGRQHSA-N 1 2 229.345 1.589 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000693924940 959592181 /nfs/dbraw/zinc/59/21/81/959592181.db2.gz DSRHOJJWZSPTGS-GFCCVEGCSA-N 1 2 216.288 1.399 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000693924940 959592189 /nfs/dbraw/zinc/59/21/89/959592189.db2.gz DSRHOJJWZSPTGS-GFCCVEGCSA-N 1 2 216.288 1.399 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000693924943 959592601 /nfs/dbraw/zinc/59/26/01/959592601.db2.gz DSRHOJJWZSPTGS-LBPRGKRZSA-N 1 2 216.288 1.399 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000693924943 959592617 /nfs/dbraw/zinc/59/26/17/959592617.db2.gz DSRHOJJWZSPTGS-LBPRGKRZSA-N 1 2 216.288 1.399 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000694575816 959922909 /nfs/dbraw/zinc/92/29/09/959922909.db2.gz GAYDFUZCBNSDBG-GHMZBOCLSA-N 1 2 207.277 1.151 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000694575816 959922915 /nfs/dbraw/zinc/92/29/15/959922915.db2.gz GAYDFUZCBNSDBG-GHMZBOCLSA-N 1 2 207.277 1.151 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001144027487 972499327 /nfs/dbraw/zinc/49/93/27/972499327.db2.gz QDSJAHGXXZFCOS-VXGBXAGGSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001144027487 972499345 /nfs/dbraw/zinc/49/93/45/972499345.db2.gz QDSJAHGXXZFCOS-VXGBXAGGSA-N 1 2 240.347 1.036 20 30 BDEDLO Cc1c[nH]c(C[N@@H+]2CC[C@H](C#N)C2)c1C ZINC001140862334 960643587 /nfs/dbraw/zinc/64/35/87/960643587.db2.gz ATGQIYHYAGWBBC-LLVKDONJSA-N 1 2 203.289 1.977 20 30 BDEDLO Cc1c[nH]c(C[N@H+]2CC[C@H](C#N)C2)c1C ZINC001140862334 960643595 /nfs/dbraw/zinc/64/35/95/960643595.db2.gz ATGQIYHYAGWBBC-LLVKDONJSA-N 1 2 203.289 1.977 20 30 BDEDLO C#CC[NH+](CC#C)Cc1[nH]cc(C)c1C ZINC001140864320 960648124 /nfs/dbraw/zinc/64/81/24/960648124.db2.gz NGFIVYYXMMMFHB-UHFFFAOYSA-N 1 2 200.285 1.700 20 30 BDEDLO N#C[C@@H]1CCCN1Cc1ccn2cc[nH+]c2c1 ZINC001141041981 960830020 /nfs/dbraw/zinc/83/00/20/960830020.db2.gz AYNMPEJDPBXYBG-LBPRGKRZSA-N 1 2 226.283 1.822 20 30 BDEDLO CC1(C#N)CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141046989 960833687 /nfs/dbraw/zinc/83/36/87/960833687.db2.gz CJOYEYGRJKDRKC-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO CC(=O)OCc1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC001141779942 961150494 /nfs/dbraw/zinc/15/04/94/961150494.db2.gz HLSQJNBMAFSJCQ-UHFFFAOYSA-N 1 2 248.282 1.688 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cccc3nonc32)C1 ZINC001203137578 962036311 /nfs/dbraw/zinc/03/63/11/962036311.db2.gz KWPCMYIWDPKATD-SECBINFHSA-N 1 2 228.255 1.568 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc3nonc32)C1 ZINC001203137578 962036326 /nfs/dbraw/zinc/03/63/26/962036326.db2.gz KWPCMYIWDPKATD-SECBINFHSA-N 1 2 228.255 1.568 20 30 BDEDLO COC(C)(C)CNc1cc(CC#N)cc[nH+]1 ZINC001156438959 963345022 /nfs/dbraw/zinc/34/50/22/963345022.db2.gz KOJIXALHJHJTFW-UHFFFAOYSA-N 1 2 219.288 1.985 20 30 BDEDLO C[C@H]1C[C@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001168085208 963650630 /nfs/dbraw/zinc/65/06/30/963650630.db2.gz XWQBOAWPZIELPG-WDEREUQCSA-N 1 2 208.305 1.980 20 30 BDEDLO C#CCN(CC#C)c1cc(CCC)[nH+]c(C)n1 ZINC001157560939 963664014 /nfs/dbraw/zinc/66/40/14/963664014.db2.gz LHJCDSHLSNPHLY-UHFFFAOYSA-N 1 2 227.311 1.810 20 30 BDEDLO N#CCc1cc[nH+]c(NC[C@H](O)C(F)(F)F)c1 ZINC001158540224 963884842 /nfs/dbraw/zinc/88/48/42/963884842.db2.gz WRWWCFSZGMRSAD-QMMMGPOBSA-N 1 2 245.204 1.483 20 30 BDEDLO N#Cc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC001161681351 964685409 /nfs/dbraw/zinc/68/54/09/964685409.db2.gz SUDVCXCLEBGHEW-UHFFFAOYSA-N 1 2 228.259 1.047 20 30 BDEDLO C#Cc1cc(Nc2cnc(C)s2)cc[nH+]1 ZINC001212125555 964786891 /nfs/dbraw/zinc/78/68/91/964786891.db2.gz DUEFXKPVZGDNCB-UHFFFAOYSA-N 1 2 215.281 1.993 20 30 BDEDLO C#CCCCNc1ccc(CNC(C)=O)c[nH+]1 ZINC001162440104 964978532 /nfs/dbraw/zinc/97/85/32/964978532.db2.gz NTOXMSQLDGFSHQ-UHFFFAOYSA-N 1 2 231.299 1.543 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162680643 965116719 /nfs/dbraw/zinc/11/67/19/965116719.db2.gz OJHNPLCOVNKXTF-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162680643 965116727 /nfs/dbraw/zinc/11/67/27/965116727.db2.gz OJHNPLCOVNKXTF-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO N#CCc1ccc(NCC2CC(=O)C2)[nH+]c1 ZINC001168388298 965116775 /nfs/dbraw/zinc/11/67/75/965116775.db2.gz FXJOWWFNGZGEDD-UHFFFAOYSA-N 1 2 215.256 1.539 20 30 BDEDLO C#CCNc1[nH+]cc(OC)c2cc[nH]c21 ZINC001163363264 965364901 /nfs/dbraw/zinc/36/49/01/965364901.db2.gz KRGGJCCAAVQRLW-UHFFFAOYSA-N 1 2 201.229 1.617 20 30 BDEDLO C#CCNc1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001163366816 965371615 /nfs/dbraw/zinc/37/16/15/965371615.db2.gz KBXZVXKYEVIPBM-UHFFFAOYSA-N 1 2 231.299 1.272 20 30 BDEDLO O=C1C=C(Nc2ccc3c([nH+]2)NCCO3)CCC1 ZINC001163468644 965414592 /nfs/dbraw/zinc/41/45/92/965414592.db2.gz UOQAQFPBBCOLLO-UHFFFAOYSA-N 1 2 245.282 1.935 20 30 BDEDLO N#Cc1cc[nH]c1CN1CCn2c[nH+]cc2C1 ZINC001233047790 965462772 /nfs/dbraw/zinc/46/27/72/965462772.db2.gz KZQUWOBGKZVTDJ-UHFFFAOYSA-N 1 2 227.271 1.099 20 30 BDEDLO N#CCc1cc[nH+]c(N2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001164043516 965711581 /nfs/dbraw/zinc/71/15/81/965711581.db2.gz MXVXMDXBUZULPZ-VXGBXAGGSA-N 1 2 249.289 1.304 20 30 BDEDLO C[C@H](Cc1cccc(F)c1)N1CC[NH2+]C[C@H]1C#N ZINC001168480591 965885925 /nfs/dbraw/zinc/88/59/25/965885925.db2.gz NTQDBNWCPVFUMK-BXUZGUMPSA-N 1 2 247.317 1.554 20 30 BDEDLO CC(C)Oc1ccnc(N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164652225 965936109 /nfs/dbraw/zinc/93/61/09/965936109.db2.gz PXAUASJCGUXKBB-LLVKDONJSA-N 1 2 246.314 1.171 20 30 BDEDLO Cc1nc(N2CC[NH2+]C[C@H]2C#N)cc2[nH]ccc21 ZINC001164652396 965938676 /nfs/dbraw/zinc/93/86/76/965938676.db2.gz QZOYAPACSAYUFO-SNVBAGLBSA-N 1 2 241.298 1.173 20 30 BDEDLO Cc1cnc(N2CC[NH2+]C[C@H]2C#N)c(C)c1 ZINC001164651849 965939774 /nfs/dbraw/zinc/93/97/74/965939774.db2.gz MLMKDYARNXAOBF-LLVKDONJSA-N 1 2 216.288 1.000 20 30 BDEDLO N#Cc1cnc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204950989 967249200 /nfs/dbraw/zinc/24/92/00/967249200.db2.gz LFUPRIBMJKXNHN-UHFFFAOYSA-N 1 2 236.238 1.740 20 30 BDEDLO Cn1ncc(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204965685 967266970 /nfs/dbraw/zinc/26/69/70/967266970.db2.gz FWQWCSHIKLYHGZ-UHFFFAOYSA-N 1 2 238.254 1.683 20 30 BDEDLO N#CCCCc1cc[nH+]c(N2CCOCC2)c1 ZINC001250060006 967327121 /nfs/dbraw/zinc/32/71/21/967327121.db2.gz QBTRVPVWIHYCMP-UHFFFAOYSA-N 1 2 231.299 1.764 20 30 BDEDLO CC#Cc1cncc(CC[NH+]2CCOCC2)c1 ZINC001250278086 967611609 /nfs/dbraw/zinc/61/16/09/967611609.db2.gz TXEXBHHUUHCMFQ-UHFFFAOYSA-N 1 2 230.311 1.328 20 30 BDEDLO CNc1ccc(Nc2c(C#N)cnn2C)c[nH+]1 ZINC001203448718 967724499 /nfs/dbraw/zinc/72/44/99/967724499.db2.gz GUGAKCJLWFQUEZ-UHFFFAOYSA-N 1 2 228.259 1.472 20 30 BDEDLO N#CC1(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC001143171988 967755841 /nfs/dbraw/zinc/75/58/41/967755841.db2.gz OBGTZJVUBKSGOW-UHFFFAOYSA-N 1 2 226.239 1.577 20 30 BDEDLO C#CCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001163363833 968026120 /nfs/dbraw/zinc/02/61/20/968026120.db2.gz YBIQEFDRAODKIC-UHFFFAOYSA-N 1 2 226.283 1.741 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC001206233428 968158101 /nfs/dbraw/zinc/15/81/01/968158101.db2.gz YEYXUPPXEAEQMX-NOOOWODRSA-N 1 2 221.300 1.330 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085564122 968797984 /nfs/dbraw/zinc/79/79/84/968797984.db2.gz FDUHHLOYPDCPAP-CYBMUJFWSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085564122 968797990 /nfs/dbraw/zinc/79/79/90/968797990.db2.gz FDUHHLOYPDCPAP-CYBMUJFWSA-N 1 2 246.310 1.368 20 30 BDEDLO COC(=O)C1(C)CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001168794709 969216778 /nfs/dbraw/zinc/21/67/78/969216778.db2.gz YGJATUZQVJPOQF-ZBOXLXRLSA-N 1 2 238.331 1.952 20 30 BDEDLO COC(=O)C1(C)CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001168794709 969216787 /nfs/dbraw/zinc/21/67/87/969216787.db2.gz YGJATUZQVJPOQF-ZBOXLXRLSA-N 1 2 238.331 1.952 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](O)CCCCC)C(=O)OC ZINC001253554347 969228103 /nfs/dbraw/zinc/22/81/03/969228103.db2.gz LITVKFNRYPAVCM-NEPJUHHUSA-N 1 2 243.347 1.635 20 30 BDEDLO C#CCN(CC1CC1)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001253563132 969233971 /nfs/dbraw/zinc/23/39/71/969233971.db2.gz LVEFYXHCFUQCQP-NSHDSACASA-N 1 2 231.299 1.316 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccnc2Cl)CC1 ZINC000089946316 969237828 /nfs/dbraw/zinc/23/78/28/969237828.db2.gz RWLVWEVBUULVRL-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976011 969296034 /nfs/dbraw/zinc/29/60/34/969296034.db2.gz YGVGQKHCOWOXJT-TUAOUCFPSA-N 1 2 239.319 1.960 20 30 BDEDLO C=C[C@H](O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001253609655 969309570 /nfs/dbraw/zinc/30/95/70/969309570.db2.gz WXQVLKOMRAGXAG-NSHDSACASA-N 1 2 241.331 1.389 20 30 BDEDLO CC(C)(C#N)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967310 969320180 /nfs/dbraw/zinc/32/01/80/969320180.db2.gz OEZVSUKBUXAGTQ-RKDXNWHRSA-N 1 2 211.265 1.324 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007593 969333808 /nfs/dbraw/zinc/33/38/08/969333808.db2.gz OJJLXNIKEDEZKT-AXFHLTTASA-N 1 2 223.276 1.420 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007593 969333816 /nfs/dbraw/zinc/33/38/16/969333816.db2.gz OJJLXNIKEDEZKT-AXFHLTTASA-N 1 2 223.276 1.420 20 30 BDEDLO CC[C@H](C#N)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168989329 969344763 /nfs/dbraw/zinc/34/47/63/969344763.db2.gz WAFDRGOSWFXHLR-AEJSXWLSSA-N 1 2 211.265 1.324 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC001253788434 969407065 /nfs/dbraw/zinc/40/70/65/969407065.db2.gz SROCZPAPPFLUCE-CMPLNLGQSA-N 1 2 229.320 1.101 20 30 BDEDLO Cc1nc(NOCC[NH3+])c(Cl)cc1C#N ZINC001156292939 969572796 /nfs/dbraw/zinc/57/27/96/969572796.db2.gz CYRDBGNIIYJRPI-UHFFFAOYSA-N 1 2 226.667 1.217 20 30 BDEDLO C=CC[C@@](C)([NH2+][C@H]1CCCOC1)C(=O)OC ZINC001254374256 969587829 /nfs/dbraw/zinc/58/78/29/969587829.db2.gz IMSVLRGWGMLMPT-CMPLNLGQSA-N 1 2 227.304 1.263 20 30 BDEDLO Cn1cc(C[N@H+](C)CCC#N)c2cccnc21 ZINC001209743767 969606143 /nfs/dbraw/zinc/60/61/43/969606143.db2.gz LBRTTXLBORGLLM-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO Cn1cc(C[N@@H+](C)CCC#N)c2cccnc21 ZINC001209743767 969606149 /nfs/dbraw/zinc/60/61/49/969606149.db2.gz LBRTTXLBORGLLM-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC001254636304 969753764 /nfs/dbraw/zinc/75/37/64/969753764.db2.gz JWGMQPYJZQGBAH-USZNOCQGSA-N 1 2 238.331 1.856 20 30 BDEDLO COCCOC1C[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254680189 969786043 /nfs/dbraw/zinc/78/60/43/969786043.db2.gz URNXQZWCLOCCQX-MNOVXSKESA-N 1 2 224.304 1.026 20 30 BDEDLO C#C[C@@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210208598 969832180 /nfs/dbraw/zinc/83/21/80/969832180.db2.gz UOMWGPSZZJLRSU-OAHLLOKOSA-N 1 2 245.322 1.710 20 30 BDEDLO C#C[C@@H]1CCC[C@H]1OCC[NH+]1CCOCC1 ZINC001210224984 969836603 /nfs/dbraw/zinc/83/66/03/969836603.db2.gz MSZRGLFNZFQHBG-CHWSQXEVSA-N 1 2 223.316 1.137 20 30 BDEDLO Cc1[nH+]cc(Nc2cnc(C#N)cn2)cc1N ZINC001210285265 969851157 /nfs/dbraw/zinc/85/11/57/969851157.db2.gz MQWHIRYKCLKHES-UHFFFAOYSA-N 1 2 226.243 1.378 20 30 BDEDLO C=CC[C@H](Nc1ccn2cc[nH+]c2c1)C(=O)OC ZINC001169837850 969868968 /nfs/dbraw/zinc/86/89/68/969868968.db2.gz HQNSZUYTSANNLY-NSHDSACASA-N 1 2 245.282 1.864 20 30 BDEDLO C=CC[C@@H](N/C(C)=C/C=C/[NH3+])C(=O)OC ZINC001169840998 969871022 /nfs/dbraw/zinc/87/10/22/969871022.db2.gz GIKZFRYYYZGTAY-ZREHIMKWSA-N 1 2 210.277 1.070 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1CCF ZINC001255161925 969970941 /nfs/dbraw/zinc/97/09/41/969970941.db2.gz CORVDBYRJCYPNV-JTQLQIEISA-N 1 2 224.283 1.634 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCOC[C@H]1C1CC1 ZINC001255178360 969996408 /nfs/dbraw/zinc/99/64/08/969996408.db2.gz FOTPYYVCNDMXOD-NEPJUHHUSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCOC[C@H]1C1CC1 ZINC001255178360 969996414 /nfs/dbraw/zinc/99/64/14/969996414.db2.gz FOTPYYVCNDMXOD-NEPJUHHUSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)OCC)CC1 ZINC001112658561 970132615 /nfs/dbraw/zinc/13/26/15/970132615.db2.gz KEKPWOCAYKBBJX-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001112727454 970159314 /nfs/dbraw/zinc/15/93/14/970159314.db2.gz JIGCTKYWBGVEOQ-LBPRGKRZSA-N 1 2 224.348 1.753 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112832191 970191521 /nfs/dbraw/zinc/19/15/21/970191521.db2.gz KQSFDSJMEMXJEW-UHFFFAOYSA-N 1 2 234.343 1.366 20 30 BDEDLO C#Cc1cc(Nc2cc(F)ccc2N)cc[nH+]1 ZINC001214196554 970462692 /nfs/dbraw/zinc/46/26/92/970462692.db2.gz DDFMWPAQTYXELP-UHFFFAOYSA-N 1 2 227.242 1.950 20 30 BDEDLO C=CCN(CCC#N)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001327873900 972772640 /nfs/dbraw/zinc/77/26/40/972772640.db2.gz KIGCXOUQOUDXLL-NSHDSACASA-N 1 2 232.287 1.372 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC(N3CC(F)C3)C2)cc1 ZINC001144567546 972875365 /nfs/dbraw/zinc/87/53/65/972875365.db2.gz QVONEPNQURJHJU-UHFFFAOYSA-N 1 2 244.313 1.506 20 30 BDEDLO CC(C)[NH+]1CC(O/C(=N\O)c2ccccn2)C1 ZINC001223978608 973369445 /nfs/dbraw/zinc/36/94/45/973369445.db2.gz VUFGYCCZGLZHCZ-OWBHPGMISA-N 1 2 235.287 1.327 20 30 BDEDLO COc1cc(C#N)ccc1COC1C[NH+](C)C1 ZINC001224189841 973478323 /nfs/dbraw/zinc/47/83/23/973478323.db2.gz RWOFPQVRRYRLDP-UHFFFAOYSA-N 1 2 232.283 1.397 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C)n2)CC1 ZINC001147217074 973487870 /nfs/dbraw/zinc/48/78/70/973487870.db2.gz WHIKRSIDEVUSLG-UHFFFAOYSA-N 1 2 245.326 1.334 20 30 BDEDLO C=CCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094077111 974046949 /nfs/dbraw/zinc/04/69/49/974046949.db2.gz GEMACXJJDBIWFP-UHFFFAOYSA-N 1 2 248.330 1.669 20 30 BDEDLO CCOCC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001172409268 974671638 /nfs/dbraw/zinc/67/16/38/974671638.db2.gz SUOPWTPOSODNDI-UWVGGRQHSA-N 1 2 249.376 1.253 20 30 BDEDLO CC[C@H](CC(C)C)[NH2+][C@@H](CS)C(=O)OC ZINC001172388323 974733547 /nfs/dbraw/zinc/73/35/47/974733547.db2.gz DHBGNEKNKMYGAB-ZJUUUORDSA-N 1 2 233.377 1.872 20 30 BDEDLO CC(C)OC(=O)C[NH2+][C@@H](C)CCCC#N ZINC001172481749 974782354 /nfs/dbraw/zinc/78/23/54/974782354.db2.gz XKKJZMNJPMGQQS-JTQLQIEISA-N 1 2 212.293 1.610 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OCC ZINC001333001447 975360947 /nfs/dbraw/zinc/36/09/47/975360947.db2.gz VTVUSRXRLWHPJQ-RYUDHWBXSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001333574531 975860125 /nfs/dbraw/zinc/86/01/25/975860125.db2.gz OMMCVXIOWRZPSH-MNOVXSKESA-N 1 2 219.288 1.621 20 30 BDEDLO C=CCO[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC001333699877 976006633 /nfs/dbraw/zinc/00/66/33/976006633.db2.gz WBLHZPAWTXBHIJ-NSHDSACASA-N 1 2 244.298 1.511 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cn(C)cn1 ZINC001334386879 976482680 /nfs/dbraw/zinc/48/26/80/976482680.db2.gz NCSBJMSYGYAGDJ-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C[N@H+](Cc1ccncc1)Cc1cncc(C#N)c1 ZINC000721517060 977009531 /nfs/dbraw/zinc/00/95/31/977009531.db2.gz OZJCBLCZPXMPPX-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1ccncc1)Cc1cncc(C#N)c1 ZINC000721517060 977009543 /nfs/dbraw/zinc/00/95/43/977009543.db2.gz OZJCBLCZPXMPPX-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C#C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001335379958 977010328 /nfs/dbraw/zinc/01/03/28/977010328.db2.gz FCNOKHXOAYRJIH-NSHDSACASA-N 1 2 222.219 1.366 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(F)F ZINC001230599218 977265104 /nfs/dbraw/zinc/26/51/04/977265104.db2.gz JYGQLRVDITVQMJ-SECBINFHSA-N 1 2 232.274 1.360 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(F)F ZINC001230599218 977265116 /nfs/dbraw/zinc/26/51/16/977265116.db2.gz JYGQLRVDITVQMJ-SECBINFHSA-N 1 2 232.274 1.360 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230613687 977277134 /nfs/dbraw/zinc/27/71/34/977277134.db2.gz DQFBIZLDNDASTF-LLVKDONJSA-N 1 2 240.322 1.291 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230613687 977277149 /nfs/dbraw/zinc/27/71/49/977277149.db2.gz DQFBIZLDNDASTF-LLVKDONJSA-N 1 2 240.322 1.291 20 30 BDEDLO CN(C)c1ccc(Nc2cn(C)nc2C#N)c[nH+]1 ZINC001175340442 977386702 /nfs/dbraw/zinc/38/67/02/977386702.db2.gz GTORUMMREZKRBB-UHFFFAOYSA-N 1 2 242.286 1.496 20 30 BDEDLO C#Cc1cc(Nc2cnc(SC)nc2)cc[nH+]1 ZINC001175644049 977611053 /nfs/dbraw/zinc/61/10/53/977611053.db2.gz IJSWOVFVFMHZKQ-UHFFFAOYSA-N 1 2 242.307 1.740 20 30 BDEDLO COc1cc(C#N)ccc1C[N@H+](C)C1(C)COC1 ZINC001231619668 977650056 /nfs/dbraw/zinc/65/00/56/977650056.db2.gz GVALTYITVOKTBX-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO COc1cc(C#N)ccc1C[N@@H+](C)C1(C)COC1 ZINC001231619668 977650060 /nfs/dbraw/zinc/65/00/60/977650060.db2.gz GVALTYITVOKTBX-UHFFFAOYSA-N 1 2 246.310 1.788 20 30 BDEDLO C#Cc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001231664256 977674078 /nfs/dbraw/zinc/67/40/78/977674078.db2.gz YILXWJARSCHGLG-OKILXGFUSA-N 1 2 213.280 1.641 20 30 BDEDLO 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CON=CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001446632512 984664852 /nfs/dbraw/zinc/66/48/52/984664852.db2.gz UBWOQBFYZNSMJW-UHFFFAOYSA-N 1 2 236.275 1.027 20 30 BDEDLO N#CCc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243473933 985021335 /nfs/dbraw/zinc/02/13/35/985021335.db2.gz FTJREPOTNFYSNR-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO CCc1cn(CC(=O)N[C@@](C)(C#N)C(C)C)c[nH+]1 ZINC001459257600 985418826 /nfs/dbraw/zinc/41/88/26/985418826.db2.gz ANDFCNQVGUSZCL-ZDUSSCGKSA-N 1 2 248.330 1.500 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC001460339230 985832590 /nfs/dbraw/zinc/83/25/90/985832590.db2.gz KVTHDXLHSZYBHI-SRVKXCTJSA-N 1 2 239.315 1.051 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC001460339230 985832602 /nfs/dbraw/zinc/83/26/02/985832602.db2.gz KVTHDXLHSZYBHI-SRVKXCTJSA-N 1 2 239.315 1.051 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001258718358 986043606 /nfs/dbraw/zinc/04/36/06/986043606.db2.gz METHUSSBUWZWET-AXFHLTTASA-N 1 2 229.320 1.243 20 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C#CC[N@@H+](C)Cc1ccc(C(=O)OC)cc1OC ZINC001137454401 986911633 /nfs/dbraw/zinc/91/16/33/986911633.db2.gz ZXLJRMCCJBDQMO-UHFFFAOYSA-N 1 2 247.294 1.547 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(C(=O)OC)cc1OC ZINC001137454401 986911639 /nfs/dbraw/zinc/91/16/39/986911639.db2.gz ZXLJRMCCJBDQMO-UHFFFAOYSA-N 1 2 247.294 1.547 20 30 BDEDLO C=CCOC(=O)[C@@H]([NH2+][C@H](C)COC)[C@@H](C)CC ZINC001255558086 987012095 /nfs/dbraw/zinc/01/20/95/987012095.db2.gz AUUQHPGPICXLKH-TUAOUCFPSA-N 1 2 243.347 1.755 20 30 BDEDLO C[C@H](CC(F)(F)F)N1CC[NH2+]C[C@H]1C#N ZINC001255647106 987042008 /nfs/dbraw/zinc/04/20/08/987042008.db2.gz SGNHHUHFBAESCD-HTQZYQBOSA-N 1 2 221.226 1.125 20 30 BDEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N)C(C)C ZINC001470397080 987042212 /nfs/dbraw/zinc/04/22/12/987042212.db2.gz DMRRXKDGNPCKNS-LLVKDONJSA-N 1 2 246.314 1.121 20 30 BDEDLO CCc1[nH]c(CNC(=O)CCCCC#N)c[nH+]1 ZINC001472020681 987159961 /nfs/dbraw/zinc/15/99/61/987159961.db2.gz KFESEFXMXWEHCX-UHFFFAOYSA-N 1 2 234.303 1.672 20 30 BDEDLO CCc1[nH]cc(CNC(=O)CCCCC#N)[nH+]1 ZINC001472020681 987159976 /nfs/dbraw/zinc/15/99/76/987159976.db2.gz KFESEFXMXWEHCX-UHFFFAOYSA-N 1 2 234.303 1.672 20 30 BDEDLO N#Cc1cccc(C#N)c1N1CCc2[nH+]c[nH]c2C1 ZINC001472799229 987285727 /nfs/dbraw/zinc/28/57/27/987285727.db2.gz NGYIHHXYPHRVRQ-UHFFFAOYSA-N 1 2 249.277 1.716 20 30 BDEDLO C=CCC[NH+]1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001472943659 987305853 /nfs/dbraw/zinc/30/58/53/987305853.db2.gz UWRXRQWZHSYEMH-UHFFFAOYSA-N 1 2 248.330 1.052 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001473401691 987418107 /nfs/dbraw/zinc/41/81/07/987418107.db2.gz DFBFCWMUMGXNQT-SSDOTTSWSA-N 1 2 234.263 1.034 20 30 BDEDLO C=CC[N@H+](C)[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001473401691 987418120 /nfs/dbraw/zinc/41/81/20/987418120.db2.gz DFBFCWMUMGXNQT-SSDOTTSWSA-N 1 2 234.263 1.034 20 30 BDEDLO CCC#C[C@@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001473877270 987597551 /nfs/dbraw/zinc/59/75/51/987597551.db2.gz MHRQRMJARWHTBW-LLVKDONJSA-N 1 2 205.305 1.654 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001473877270 987597557 /nfs/dbraw/zinc/59/75/57/987597557.db2.gz MHRQRMJARWHTBW-LLVKDONJSA-N 1 2 205.305 1.654 20 30 BDEDLO N#CCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC001118374558 988276081 /nfs/dbraw/zinc/27/60/81/988276081.db2.gz SIJHGXCHNUBDGJ-UHFFFAOYSA-N 1 2 232.287 1.350 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCC)C1 ZINC001499630512 988552567 /nfs/dbraw/zinc/55/25/67/988552567.db2.gz XSQQWFAEINLRTF-UHFFFAOYSA-N 1 2 224.348 1.895 20 30 BDEDLO CN1C[C@H](C[N@@H+]2CCC[C@](C)(C#N)C2)OC1=O ZINC001324266289 988768746 /nfs/dbraw/zinc/76/87/46/988768746.db2.gz JWEZAUSIIUQETQ-ZYHUDNBSSA-N 1 2 237.303 1.063 20 30 BDEDLO CN1C[C@H](C[N@H+]2CCC[C@](C)(C#N)C2)OC1=O ZINC001324266289 988768767 /nfs/dbraw/zinc/76/87/67/988768767.db2.gz JWEZAUSIIUQETQ-ZYHUDNBSSA-N 1 2 237.303 1.063 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC001325228594 989126945 /nfs/dbraw/zinc/12/69/45/989126945.db2.gz QFEIFROTIMWJNS-SNVBAGLBSA-N 1 2 207.277 1.187 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC001325228594 989126947 /nfs/dbraw/zinc/12/69/47/989126947.db2.gz QFEIFROTIMWJNS-SNVBAGLBSA-N 1 2 207.277 1.187 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC001249617861 989328172 /nfs/dbraw/zinc/32/81/72/989328172.db2.gz DISDNLRTJSNHOJ-UHFFFAOYSA-N 1 2 235.258 1.677 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC001249617861 989328183 /nfs/dbraw/zinc/32/81/83/989328183.db2.gz DISDNLRTJSNHOJ-UHFFFAOYSA-N 1 2 235.258 1.677 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2CC2CC2)CC1 ZINC001119935422 989493573 /nfs/dbraw/zinc/49/35/73/989493573.db2.gz CYCIRVQIQUIYQB-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2CC2CC2)CC1 ZINC001119935422 989493588 /nfs/dbraw/zinc/49/35/88/989493588.db2.gz CYCIRVQIQUIYQB-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO C=CCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC001527794371 990245562 /nfs/dbraw/zinc/24/55/62/990245562.db2.gz KSPYYEOZRIAMIX-UHFFFAOYSA-N 1 2 221.304 1.435 20 30 BDEDLO C=CCCN(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001528130832 990270356 /nfs/dbraw/zinc/27/03/56/990270356.db2.gz OGFFEZXCULAMHF-UHFFFAOYSA-N 1 2 248.330 1.841 20 30 BDEDLO C#CCCCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC001528213385 990275802 /nfs/dbraw/zinc/27/58/02/990275802.db2.gz IEGMDNKNFIXBKD-UHFFFAOYSA-N 1 2 247.342 1.663 20 30 BDEDLO C#CCSCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001539944290 990585790 /nfs/dbraw/zinc/58/57/90/990585790.db2.gz QYGHLZMOBNOATA-UHFFFAOYSA-N 1 2 245.307 1.639 20 30 BDEDLO C#Cc1cccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC001557023619 990870429 /nfs/dbraw/zinc/87/04/29/990870429.db2.gz UWPOGVRSGKGYIT-UHFFFAOYSA-N 1 2 239.278 1.181 20 30 BDEDLO C[C@H](C#N)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001558088136 990924166 /nfs/dbraw/zinc/92/41/66/990924166.db2.gz OSVSPIXUKHGPDB-LLVKDONJSA-N 1 2 246.314 1.184 20 30 BDEDLO CC(C)=CCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258087300 990996500 /nfs/dbraw/zinc/99/65/00/990996500.db2.gz BYILROKAZDMHOW-OLZOCXBDSA-N 1 2 221.348 1.919 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc(CO)o2)CCC1 ZINC001308546243 991031734 /nfs/dbraw/zinc/03/17/34/991031734.db2.gz LSCFPGOEYSSQJE-UHFFFAOYSA-N 1 2 220.272 1.555 20 30 BDEDLO Cc1c[nH]c(Nc2ncc([N+](=O)[O-])cc2C#N)[nH+]1 ZINC001559135370 991037339 /nfs/dbraw/zinc/03/73/39/991037339.db2.gz HSKWPCAZKWFHQJ-UHFFFAOYSA-N 1 2 244.214 1.637 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258152454 991039469 /nfs/dbraw/zinc/03/94/69/991039469.db2.gz YBHJTWISHKHRKZ-ZDCRXTMVSA-N 1 2 245.388 1.872 20 30 BDEDLO CC1(C)CCC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001258287404 991218949 /nfs/dbraw/zinc/21/89/49/991218949.db2.gz ZQLLELPXASWJDC-VXGBXAGGSA-N 1 2 221.348 1.753 20 30 BDEDLO Cc1cccc(CCC[NH+]2CC(O)(CC#N)C2)c1 ZINC001559779689 991260859 /nfs/dbraw/zinc/26/08/59/991260859.db2.gz FOUMYHQGLLHGBO-UHFFFAOYSA-N 1 2 244.338 1.888 20 30 BDEDLO CC(C)(O)[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC001559960768 991343332 /nfs/dbraw/zinc/34/33/32/991343332.db2.gz XSDAQECLMYJAOY-ZDUSSCGKSA-N 1 2 246.310 1.006 20 30 BDEDLO CC(C)(O)[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC001559960768 991343342 /nfs/dbraw/zinc/34/33/42/991343342.db2.gz XSDAQECLMYJAOY-ZDUSSCGKSA-N 1 2 246.310 1.006 20 30 BDEDLO C=CCn1cc(C[NH+]2CC(CC#N)C2)cn1 ZINC001139766900 991361883 /nfs/dbraw/zinc/36/18/83/991361883.db2.gz YECKOTYGTUMEQI-UHFFFAOYSA-N 1 2 216.288 1.415 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CC1CC1 ZINC001258449153 991396418 /nfs/dbraw/zinc/39/64/18/991396418.db2.gz XCKRRVNIGBPTPR-APPZFPTMSA-N 1 2 217.334 1.236 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140055170 991510241 /nfs/dbraw/zinc/51/02/41/991510241.db2.gz MYDWFZKBUMUINV-VIFPVBQESA-N 1 2 220.247 1.877 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055170 991510247 /nfs/dbraw/zinc/51/02/47/991510247.db2.gz MYDWFZKBUMUINV-VIFPVBQESA-N 1 2 220.247 1.877 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccncc2O)C1 ZINC001140282361 991606068 /nfs/dbraw/zinc/60/60/68/991606068.db2.gz VJTDBBLZMCHSHP-LBPRGKRZSA-N 1 2 217.272 1.523 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccncc2O)C1 ZINC001140282361 991606074 /nfs/dbraw/zinc/60/60/74/991606074.db2.gz VJTDBBLZMCHSHP-LBPRGKRZSA-N 1 2 217.272 1.523 20 30 BDEDLO C=CCOCC[NH+]1CC(NC(=O)CCCC)C1 ZINC001318003506 991609464 /nfs/dbraw/zinc/60/94/64/991609464.db2.gz WGHYJXHOHOSSKY-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC[C@H](C)CC)C1 ZINC001318071571 991618138 /nfs/dbraw/zinc/61/81/38/991618138.db2.gz QDTGBYORHVZTAQ-LLVKDONJSA-N 1 2 224.348 1.799 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)C(=O)OC ZINC001560880119 991634883 /nfs/dbraw/zinc/63/48/83/991634883.db2.gz XAVYSANLLRNWBT-CYDGBPFRSA-N 1 2 235.327 1.720 20 30 BDEDLO C=CCC[C@@H](C)[NH+]1CC(S(C)(=O)=O)C1 ZINC001258735089 991685364 /nfs/dbraw/zinc/68/53/64/991685364.db2.gz OHYBYQIVXFTENM-SECBINFHSA-N 1 2 217.334 1.070 20 30 BDEDLO CC[C@H](C)C[C@H](CC)N1CC[NH2+]C[C@@H]1C#N ZINC001258790471 991772275 /nfs/dbraw/zinc/77/22/75/991772275.db2.gz MBEKXADXYTYEKI-AVGNSLFASA-N 1 2 223.364 1.999 20 30 BDEDLO CC[C@H](C)C[C@H](CC)N1CC[NH2+]C[C@H]1C#N ZINC001258790473 991777544 /nfs/dbraw/zinc/77/75/44/991777544.db2.gz MBEKXADXYTYEKI-RWMBFGLXSA-N 1 2 223.364 1.999 20 30 BDEDLO C[C@@H](CC#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001565695199 991802099 /nfs/dbraw/zinc/80/20/99/991802099.db2.gz IRSYWHRCJOKGBW-VIFPVBQESA-N 1 2 228.255 1.366 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001567790685 992095275 /nfs/dbraw/zinc/09/52/75/992095275.db2.gz YKJWGXMTRNQOMC-AATRIKPKSA-N 1 2 245.326 1.404 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1nccs1)CC1CC1 ZINC001320134379 992112254 /nfs/dbraw/zinc/11/22/54/992112254.db2.gz ANCVCZVTCWXSPB-UHFFFAOYSA-N 1 2 249.339 1.427 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1nccs1)CC1CC1 ZINC001320134379 992112261 /nfs/dbraw/zinc/11/22/61/992112261.db2.gz ANCVCZVTCWXSPB-UHFFFAOYSA-N 1 2 249.339 1.427 20 30 BDEDLO C=CCO[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001320898592 992392805 /nfs/dbraw/zinc/39/28/05/992392805.db2.gz ZKECDWPHAFFSLH-LLVKDONJSA-N 1 2 219.288 1.566 20 30 BDEDLO Cn1ccc(N=NCc2cccc3[nH+]ccn32)n1 ZINC001321015165 992432313 /nfs/dbraw/zinc/43/23/13/992432313.db2.gz ZSEBNZAZGJZKOQ-UHFFFAOYSA-N 1 2 240.270 1.514 20 30 BDEDLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC001570305100 992459207 /nfs/dbraw/zinc/45/92/07/992459207.db2.gz CYKXDYUEYUEMTN-CYBMUJFWSA-N 1 2 243.310 1.899 20 30 BDEDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC001570305100 992459212 /nfs/dbraw/zinc/45/92/12/992459212.db2.gz CYKXDYUEYUEMTN-CYBMUJFWSA-N 1 2 243.310 1.899 20 30 BDEDLO N#Cc1ccnnc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001262701227 993045085 /nfs/dbraw/zinc/04/50/85/993045085.db2.gz GDFIGRWTDDNVHB-LLVKDONJSA-N 1 2 249.293 1.194 20 30 BDEDLO N#Cc1ccnnc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC001262701227 993045091 /nfs/dbraw/zinc/04/50/91/993045091.db2.gz GDFIGRWTDDNVHB-LLVKDONJSA-N 1 2 249.293 1.194 20 30 BDEDLO C=CC(C)(C)NC(=O)NCc1cc[nH+]c(NC)c1 ZINC001263778110 993506971 /nfs/dbraw/zinc/50/69/71/993506971.db2.gz DZEWQQIAYZBUMC-UHFFFAOYSA-N 1 2 248.330 1.887 20 30 BDEDLO C[C@H]([NH2+]Cc1csc(C#N)c1)c1nncn1C ZINC001332336834 993721385 /nfs/dbraw/zinc/72/13/85/993721385.db2.gz MPSQAIBVWGLJQV-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CCCCC[NH2+][C@@](CC)(COC)C(=O)OC ZINC001307824140 995472641 /nfs/dbraw/zinc/47/26/41/995472641.db2.gz SWORLALWAVMWHI-ZDUSSCGKSA-N 1 2 243.347 1.901 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@](C)(C#N)CC)[nH+]1 ZINC000602086725 349434428 /nfs/dbraw/zinc/43/44/28/349434428.db2.gz QNDWBVOOJPSXDI-LBPRGKRZSA-N 1 2 234.303 1.323 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCCCC)C1CC1 ZINC000274214392 398150963 /nfs/dbraw/zinc/15/09/63/398150963.db2.gz UERJTPKRAQIFAU-UHFFFAOYSA-N 1 2 208.305 1.000 20 30 BDEDLO C#CC[N@H+](CC(=O)NCCCC)C1CC1 ZINC000274214392 398150965 /nfs/dbraw/zinc/15/09/65/398150965.db2.gz UERJTPKRAQIFAU-UHFFFAOYSA-N 1 2 208.305 1.000 20 30 BDEDLO C[N@H+](CCCC(C)(C)C#N)Cc1nnc[nH]1 ZINC000177145899 136216646 /nfs/dbraw/zinc/21/66/46/136216646.db2.gz NFPGECQVXSJJOW-UHFFFAOYSA-N 1 2 221.308 1.566 20 30 BDEDLO C[N@@H+](CCCC(C)(C)C#N)Cc1nnc[nH]1 ZINC000177145899 136216647 /nfs/dbraw/zinc/21/66/47/136216647.db2.gz NFPGECQVXSJJOW-UHFFFAOYSA-N 1 2 221.308 1.566 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000339751609 398162868 /nfs/dbraw/zinc/16/28/68/398162868.db2.gz GVSFRQVOEMIPFV-UHFFFAOYSA-N 1 2 237.328 1.345 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000339751609 398162869 /nfs/dbraw/zinc/16/28/69/398162869.db2.gz GVSFRQVOEMIPFV-UHFFFAOYSA-N 1 2 237.328 1.345 20 30 BDEDLO C=CCOCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649915626 398187376 /nfs/dbraw/zinc/18/73/76/398187376.db2.gz YTVTXRDBBUOYKO-LLVKDONJSA-N 1 2 237.303 1.153 20 30 BDEDLO CC(C)(CCC#N)C[NH2+]Cc1c[nH]nn1 ZINC000398294001 398195130 /nfs/dbraw/zinc/19/51/30/398195130.db2.gz CEHBWBKKKWWUQM-UHFFFAOYSA-N 1 2 207.281 1.224 20 30 BDEDLO CC(C)(CCC#N)C[NH2+]Cc1cn[nH]n1 ZINC000398294001 398195133 /nfs/dbraw/zinc/19/51/33/398195133.db2.gz CEHBWBKKKWWUQM-UHFFFAOYSA-N 1 2 207.281 1.224 20 30 BDEDLO C#CC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000276246797 166171754 /nfs/dbraw/zinc/17/17/54/166171754.db2.gz VOMUDIAAUJJJCX-JTQLQIEISA-N 1 2 205.261 1.538 20 30 BDEDLO CCO[C@H]1C[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000576340977 365570159 /nfs/dbraw/zinc/57/01/59/365570159.db2.gz XVPJCYVZABVLKK-RYUDHWBXSA-N 1 2 217.272 1.273 20 30 BDEDLO C#CC[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000276246797 166171757 /nfs/dbraw/zinc/17/17/57/166171757.db2.gz VOMUDIAAUJJJCX-JTQLQIEISA-N 1 2 205.261 1.538 20 30 BDEDLO CCN(CCC#N)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602438092 349524042 /nfs/dbraw/zinc/52/40/42/349524042.db2.gz NAENCWYJJAESBR-UHFFFAOYSA-N 1 2 247.298 1.588 20 30 BDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H](C)C#N ZINC000251085719 136226672 /nfs/dbraw/zinc/22/66/72/136226672.db2.gz JCUATGFCOTWPEZ-NXEZZACHSA-N 1 2 225.336 1.381 20 30 BDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](C)C#N ZINC000251085719 136226673 /nfs/dbraw/zinc/22/66/73/136226673.db2.gz JCUATGFCOTWPEZ-NXEZZACHSA-N 1 2 225.336 1.381 20 30 BDEDLO N#CCCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000576634463 365644056 /nfs/dbraw/zinc/64/40/56/365644056.db2.gz LMDLRVOLIPHGAM-UHFFFAOYSA-N 1 2 219.292 1.320 20 30 BDEDLO N#CCCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000576634463 365644062 /nfs/dbraw/zinc/64/40/62/365644062.db2.gz LMDLRVOLIPHGAM-UHFFFAOYSA-N 1 2 219.292 1.320 20 30 BDEDLO N#CCCC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000576634463 365644068 /nfs/dbraw/zinc/64/40/68/365644068.db2.gz LMDLRVOLIPHGAM-UHFFFAOYSA-N 1 2 219.292 1.320 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602447571 349547296 /nfs/dbraw/zinc/54/72/96/349547296.db2.gz MWQVGBLCHSCXGG-SNVBAGLBSA-N 1 2 214.272 1.545 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602447571 349547299 /nfs/dbraw/zinc/54/72/99/349547299.db2.gz MWQVGBLCHSCXGG-SNVBAGLBSA-N 1 2 214.272 1.545 20 30 BDEDLO C[C@@H](C#N)CN(C)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602446749 349547749 /nfs/dbraw/zinc/54/77/49/349547749.db2.gz IXXJOINOPOJNLU-JQWIXIFHSA-N 1 2 232.331 1.963 20 30 BDEDLO C[C@H](C#N)CN(C)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602448132 349548701 /nfs/dbraw/zinc/54/87/01/349548701.db2.gz SRKJBJZDWMEPPO-SNVBAGLBSA-N 1 2 247.298 1.444 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)C[C@H](C)C#N)[nH]c1C ZINC000602448975 349549641 /nfs/dbraw/zinc/54/96/41/349549641.db2.gz XFYQFUJBGPQPEZ-SECBINFHSA-N 1 2 249.314 1.701 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)C[C@H](C)C#N)[nH]c1C ZINC000602448975 349549642 /nfs/dbraw/zinc/54/96/42/349549642.db2.gz XFYQFUJBGPQPEZ-SECBINFHSA-N 1 2 249.314 1.701 20 30 BDEDLO Cc1[nH]c(CN(C)C[C@H](C)C#N)[nH+]c1C ZINC000600113381 342671692 /nfs/dbraw/zinc/67/16/92/342671692.db2.gz SCVOCYIIVMIFDJ-MRVPVSSYSA-N 1 2 206.293 1.618 20 30 BDEDLO Cc1[nH]c(CN2CC[C@](F)(C#N)C2)[nH+]c1C ZINC000600151020 342691236 /nfs/dbraw/zinc/69/12/36/342691236.db2.gz KALXFQLOXZHGSR-NSHDSACASA-N 1 2 222.267 1.464 20 30 BDEDLO Cc1[nH]c(CNCC2(C#N)CC2)[nH+]c1C ZINC000600152884 342691945 /nfs/dbraw/zinc/69/19/45/342691945.db2.gz GMJHFTYHOMIIQD-UHFFFAOYSA-N 1 2 204.277 1.420 20 30 BDEDLO Cc1c[nH]c(CN2CC[C@](C)(C#N)C2)[nH+]1 ZINC000600173297 342695671 /nfs/dbraw/zinc/69/56/71/342695671.db2.gz BYCHZKTWEWDPON-LLVKDONJSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1[nH]c(CN2CC(CC#N)C2)[nH+]c1C ZINC000600180159 342696923 /nfs/dbraw/zinc/69/69/23/342696923.db2.gz HAEGKTCQZHYHBZ-UHFFFAOYSA-N 1 2 204.277 1.372 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCOC(C)(C)C1 ZINC000309587230 342716309 /nfs/dbraw/zinc/71/63/09/342716309.db2.gz SIBWGQRRXPPINQ-JTQLQIEISA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCOC(C)(C)C1 ZINC000309587230 342716310 /nfs/dbraw/zinc/71/63/10/342716310.db2.gz SIBWGQRRXPPINQ-JTQLQIEISA-N 1 2 227.304 1.215 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2ccccn2)n1 ZINC000309598212 342731674 /nfs/dbraw/zinc/73/16/74/342731674.db2.gz VKXMGVRYMSCVGM-UHFFFAOYSA-N 1 2 230.296 1.700 20 30 BDEDLO N#CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281603517 342796425 /nfs/dbraw/zinc/79/64/25/342796425.db2.gz GLFQWUGGPRBNLY-STQMWFEESA-N 1 2 234.274 1.847 20 30 BDEDLO N#CCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281603517 342796426 /nfs/dbraw/zinc/79/64/26/342796426.db2.gz GLFQWUGGPRBNLY-STQMWFEESA-N 1 2 234.274 1.847 20 30 BDEDLO Cc1cc(C)c(C#N)c(NCc2[nH+]ccn2C)n1 ZINC000109381451 398296036 /nfs/dbraw/zinc/29/60/36/398296036.db2.gz MTGBAULPKBGCEQ-UHFFFAOYSA-N 1 2 241.298 1.916 20 30 BDEDLO COC(=O)c1csc(C[NH2+]C[C@H](C)C#N)c1 ZINC000602607016 349629340 /nfs/dbraw/zinc/62/93/40/349629340.db2.gz FPPPKQYQRLCHOO-MRVPVSSYSA-N 1 2 238.312 1.784 20 30 BDEDLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCOC1 ZINC000329690567 136248357 /nfs/dbraw/zinc/24/83/57/136248357.db2.gz BPBBXWZZIWCLCE-GFCCVEGCSA-N 1 2 237.303 1.725 20 30 BDEDLO CC[C@](C)(C[N@@H+]1CC[C@](F)(C#N)C1)OC ZINC000602629949 349665164 /nfs/dbraw/zinc/66/51/64/349665164.db2.gz NBUNXPKGHVQMKA-MNOVXSKESA-N 1 2 214.284 1.739 20 30 BDEDLO CC[C@](C)(C[N@H+]1CC[C@](F)(C#N)C1)OC ZINC000602629949 349665165 /nfs/dbraw/zinc/66/51/65/349665165.db2.gz NBUNXPKGHVQMKA-MNOVXSKESA-N 1 2 214.284 1.739 20 30 BDEDLO C=CC[N@H+](CCC#N)Cc1ccc(=O)[nH]c1 ZINC000602670109 349686182 /nfs/dbraw/zinc/68/61/82/349686182.db2.gz ALSFAWQNKKJEBT-UHFFFAOYSA-N 1 2 217.272 1.689 20 30 BDEDLO C=CC[N@@H+](CCC#N)Cc1ccc(=O)[nH]c1 ZINC000602670109 349686184 /nfs/dbraw/zinc/68/61/84/349686184.db2.gz ALSFAWQNKKJEBT-UHFFFAOYSA-N 1 2 217.272 1.689 20 30 BDEDLO N#CCC1CN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602707096 349699733 /nfs/dbraw/zinc/69/97/33/349699733.db2.gz JGDVCRUHQRGYJU-UHFFFAOYSA-N 1 2 245.282 1.198 20 30 BDEDLO N#CCC1C[NH+](Cc2cc3c(cn2)OCCO3)C1 ZINC000602707096 349699734 /nfs/dbraw/zinc/69/97/34/349699734.db2.gz JGDVCRUHQRGYJU-UHFFFAOYSA-N 1 2 245.282 1.198 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H](CC)COC)C(=O)OC ZINC000602734643 349719616 /nfs/dbraw/zinc/71/96/16/349719616.db2.gz QHCYZYNQMLCKLR-GHMZBOCLSA-N 1 2 229.320 1.509 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000602734646 349720134 /nfs/dbraw/zinc/72/01/34/349720134.db2.gz QHCYZYNQMLCKLR-QWRGUYRKSA-N 1 2 229.320 1.509 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@H]1SC)C(=O)OC ZINC000602739587 349709188 /nfs/dbraw/zinc/70/91/88/349709188.db2.gz QVLOTPICQDZPNF-GARJFASQSA-N 1 2 243.372 1.978 20 30 BDEDLO Cc1ncc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000602748924 349711665 /nfs/dbraw/zinc/71/16/65/349711665.db2.gz XACMCIKIQPEJCQ-UHFFFAOYSA-N 1 2 234.303 1.014 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1Cc2cnn(C)c2C1 ZINC000602720026 349712600 /nfs/dbraw/zinc/71/26/00/349712600.db2.gz WXYIXAZDAPZOAV-JTQLQIEISA-N 1 2 218.304 1.676 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1Cc2cnn(C)c2C1 ZINC000602720026 349712603 /nfs/dbraw/zinc/71/26/03/349712603.db2.gz WXYIXAZDAPZOAV-JTQLQIEISA-N 1 2 218.304 1.676 20 30 BDEDLO C[C@@H](C#N)C[N@H+](CCc1cnccn1)C1CC1 ZINC000602801265 349741742 /nfs/dbraw/zinc/74/17/42/349741742.db2.gz OBLNREXOKKCHDE-NSHDSACASA-N 1 2 230.315 1.643 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](CCc1cnccn1)C1CC1 ZINC000602801265 349741743 /nfs/dbraw/zinc/74/17/43/349741743.db2.gz OBLNREXOKKCHDE-NSHDSACASA-N 1 2 230.315 1.643 20 30 BDEDLO CCN(C#N)CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000602802039 349742085 /nfs/dbraw/zinc/74/20/85/349742085.db2.gz SJTYOWVKUTYRLG-NSHDSACASA-N 1 2 220.320 1.413 20 30 BDEDLO CCN(C#N)CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000602802039 349742088 /nfs/dbraw/zinc/74/20/88/349742088.db2.gz SJTYOWVKUTYRLG-NSHDSACASA-N 1 2 220.320 1.413 20 30 BDEDLO COCC[N@H+](CCC#N)Cc1cc[nH]c(=O)c1 ZINC000602777694 349745261 /nfs/dbraw/zinc/74/52/61/349745261.db2.gz KFPQBOVEEFCNEV-UHFFFAOYSA-N 1 2 235.287 1.149 20 30 BDEDLO COCC[N@@H+](CCC#N)Cc1cc[nH]c(=O)c1 ZINC000602777694 349745262 /nfs/dbraw/zinc/74/52/62/349745262.db2.gz KFPQBOVEEFCNEV-UHFFFAOYSA-N 1 2 235.287 1.149 20 30 BDEDLO N#CCC1(C[N@@H+]2CCc3nc[nH]c3C2)CC1 ZINC000602827267 349765382 /nfs/dbraw/zinc/76/53/82/349765382.db2.gz CFMIMPVHSBQVSU-UHFFFAOYSA-N 1 2 216.288 1.462 20 30 BDEDLO N#CCC1(C[N@H+]2CCc3nc[nH]c3C2)CC1 ZINC000602827267 349765385 /nfs/dbraw/zinc/76/53/85/349765385.db2.gz CFMIMPVHSBQVSU-UHFFFAOYSA-N 1 2 216.288 1.462 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000602809480 349753380 /nfs/dbraw/zinc/75/33/80/349753380.db2.gz IZWOZYOIPIPFGY-QWRGUYRKSA-N 1 2 238.331 1.858 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602860718 349772891 /nfs/dbraw/zinc/77/28/91/349772891.db2.gz FNGAKQILCDDEPP-MNOVXSKESA-N 1 2 225.336 1.573 20 30 BDEDLO C[C@H](C#N)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000331937376 136263303 /nfs/dbraw/zinc/26/33/03/136263303.db2.gz JBBLAKORNAHQRJ-DGCLKSJQSA-N 1 2 243.310 1.289 20 30 BDEDLO C[C@H](C#N)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000331937376 136263304 /nfs/dbraw/zinc/26/33/04/136263304.db2.gz JBBLAKORNAHQRJ-DGCLKSJQSA-N 1 2 243.310 1.289 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000602863207 349774583 /nfs/dbraw/zinc/77/45/83/349774583.db2.gz ODYCQPIJHJFFRT-MNOVXSKESA-N 1 2 249.358 1.668 20 30 BDEDLO CO[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329743440 136262872 /nfs/dbraw/zinc/26/28/72/136262872.db2.gz XEPOECSGSCBCKQ-SKDRFNHKSA-N 1 2 249.314 1.649 20 30 BDEDLO CO[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329743440 136262873 /nfs/dbraw/zinc/26/28/73/136262873.db2.gz XEPOECSGSCBCKQ-SKDRFNHKSA-N 1 2 249.314 1.649 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000602860408 349771581 /nfs/dbraw/zinc/77/15/81/349771581.db2.gz BMLPILOFKCHQJQ-LBPRGKRZSA-N 1 2 249.358 1.885 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000602860287 349771662 /nfs/dbraw/zinc/77/16/62/349771662.db2.gz ARWWVYAMYMPMBL-NSHDSACASA-N 1 2 223.320 1.137 20 30 BDEDLO COc1ccnc(C[NH2+][C@H](C)CC#N)c1 ZINC000602863789 349790203 /nfs/dbraw/zinc/79/02/03/349790203.db2.gz PSILXSXYRFLHCA-SECBINFHSA-N 1 2 205.261 1.482 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@@H]1CCO[C@H]1C)C1CC1 ZINC000602886389 349794206 /nfs/dbraw/zinc/79/42/06/349794206.db2.gz QWTQLNQDKXIUSJ-VWYCJHECSA-N 1 2 208.305 1.788 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CCO[C@H]1C)C1CC1 ZINC000602886389 349794208 /nfs/dbraw/zinc/79/42/08/349794208.db2.gz QWTQLNQDKXIUSJ-VWYCJHECSA-N 1 2 208.305 1.788 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373795063 136269491 /nfs/dbraw/zinc/26/94/91/136269491.db2.gz CAUWFBQQATWYEG-CYBMUJFWSA-N 1 2 238.331 1.560 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373795063 136269492 /nfs/dbraw/zinc/26/94/92/136269492.db2.gz CAUWFBQQATWYEG-CYBMUJFWSA-N 1 2 238.331 1.560 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCC(C)(C)C ZINC000602865473 349797806 /nfs/dbraw/zinc/79/78/06/349797806.db2.gz YHPUMSDZNGZWLF-SNVBAGLBSA-N 1 2 225.336 1.431 20 30 BDEDLO COCC1=CC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000185841918 136270574 /nfs/dbraw/zinc/27/05/74/136270574.db2.gz SHHXESHMJQYWRX-CYBMUJFWSA-N 1 2 233.315 1.708 20 30 BDEDLO COCC1=CC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000185841918 136270575 /nfs/dbraw/zinc/27/05/75/136270575.db2.gz SHHXESHMJQYWRX-CYBMUJFWSA-N 1 2 233.315 1.708 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)CC1(C#N)CC1 ZINC000590289340 346930660 /nfs/dbraw/zinc/93/06/60/346930660.db2.gz CEPLMGXMUYBZKP-UHFFFAOYSA-N 1 2 218.260 1.028 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1csc(C2CC2)n1 ZINC000308935710 136274163 /nfs/dbraw/zinc/27/41/63/136274163.db2.gz OADZTLYWVXAXDM-SECBINFHSA-N 1 2 224.329 1.657 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1 ZINC000068612243 343229177 /nfs/dbraw/zinc/22/91/77/343229177.db2.gz NAGXPIFUWWEVHE-JTQLQIEISA-N 1 2 217.272 1.517 20 30 BDEDLO Cc1cc(NC(=O)c2cnccc2C#N)cc[nH+]1 ZINC000343699227 343277952 /nfs/dbraw/zinc/27/79/52/343277952.db2.gz YGSSWCPUXDSLHX-UHFFFAOYSA-N 1 2 238.250 1.331 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000048583596 343367843 /nfs/dbraw/zinc/36/78/43/343367843.db2.gz VLMBAASVLIEHPP-UHFFFAOYSA-N 1 2 218.256 1.163 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000048583596 343367846 /nfs/dbraw/zinc/36/78/46/343367846.db2.gz VLMBAASVLIEHPP-UHFFFAOYSA-N 1 2 218.256 1.163 20 30 BDEDLO C#CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000299223494 343398526 /nfs/dbraw/zinc/39/85/26/343398526.db2.gz MOTOSFVJYIZQCG-AWEZNQCLSA-N 1 2 243.306 1.610 20 30 BDEDLO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000299223494 343398527 /nfs/dbraw/zinc/39/85/27/343398527.db2.gz MOTOSFVJYIZQCG-AWEZNQCLSA-N 1 2 243.306 1.610 20 30 BDEDLO CC[C@]1(C)C[N@H+](CC2(C#N)CC2)CCO1 ZINC000335679163 136320035 /nfs/dbraw/zinc/32/00/35/136320035.db2.gz JFGWSWYCUXZRLR-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO CC[C@]1(C)C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000335679163 136320036 /nfs/dbraw/zinc/32/00/36/136320036.db2.gz JFGWSWYCUXZRLR-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000042455341 343438775 /nfs/dbraw/zinc/43/87/75/343438775.db2.gz VGXFUGPSOSMDNM-RISCZKNCSA-N 1 2 243.310 1.683 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000042455341 343438778 /nfs/dbraw/zinc/43/87/78/343438778.db2.gz VGXFUGPSOSMDNM-RISCZKNCSA-N 1 2 243.310 1.683 20 30 BDEDLO COC(=O)[C@](C)(CCF)[NH2+]CC1(CC#N)CC1 ZINC000602893998 349812096 /nfs/dbraw/zinc/81/20/96/349812096.db2.gz FQZOLSPWQJAYFM-NSHDSACASA-N 1 2 242.294 1.561 20 30 BDEDLO C#C[C@H](CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000379978763 365778717 /nfs/dbraw/zinc/77/87/17/365778717.db2.gz GFIFVDJVMNVPBD-SNVBAGLBSA-N 1 2 203.289 1.846 20 30 BDEDLO C[C@](CO)([NH2+]CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000602965545 349827304 /nfs/dbraw/zinc/82/73/04/349827304.db2.gz IDMTZMSFVXEKKM-GFCCVEGCSA-N 1 2 249.270 1.306 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000119212257 343675482 /nfs/dbraw/zinc/67/54/82/343675482.db2.gz KASMPFPGMYQMDC-WDEREUQCSA-N 1 2 229.320 1.101 20 30 BDEDLO CC#CC[N@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602985303 349836870 /nfs/dbraw/zinc/83/68/70/349836870.db2.gz VWQPBACYGCRWNS-UHFFFAOYSA-N 1 2 207.273 1.180 20 30 BDEDLO CC#CC[N@@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602985303 349836873 /nfs/dbraw/zinc/83/68/73/349836873.db2.gz VWQPBACYGCRWNS-UHFFFAOYSA-N 1 2 207.273 1.180 20 30 BDEDLO C[N@H+](CCn1ccccc1=O)[C@H]1CCC[C@H]1C#N ZINC000602976718 349841398 /nfs/dbraw/zinc/84/13/98/349841398.db2.gz RPETYCWWWIRJTL-STQMWFEESA-N 1 2 245.326 1.472 20 30 BDEDLO C[N@@H+](CCn1ccccc1=O)[C@H]1CCC[C@H]1C#N ZINC000602976718 349841399 /nfs/dbraw/zinc/84/13/99/349841399.db2.gz RPETYCWWWIRJTL-STQMWFEESA-N 1 2 245.326 1.472 20 30 BDEDLO C(#Cc1ccccc1)CN1CCc2[nH+]c[nH]c2C1 ZINC000625435077 343736640 /nfs/dbraw/zinc/73/66/40/343736640.db2.gz MRVGYRBFNUSBFQ-UHFFFAOYSA-N 1 2 237.306 1.820 20 30 BDEDLO C[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602980287 349845215 /nfs/dbraw/zinc/84/52/15/349845215.db2.gz OEQOWFJOESOPFR-MNOVXSKESA-N 1 2 203.289 1.914 20 30 BDEDLO C[N@@H+](CC1(C#N)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602980287 349845218 /nfs/dbraw/zinc/84/52/18/349845218.db2.gz OEQOWFJOESOPFR-MNOVXSKESA-N 1 2 203.289 1.914 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000064796331 343763539 /nfs/dbraw/zinc/76/35/39/343763539.db2.gz QFRFHGWXRHGWHV-DGCLKSJQSA-N 1 2 218.300 1.811 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000064796331 343763543 /nfs/dbraw/zinc/76/35/43/343763543.db2.gz QFRFHGWXRHGWHV-DGCLKSJQSA-N 1 2 218.300 1.811 20 30 BDEDLO Cc1cc(C#N)nc(NCc2c[nH+]cn2C)n1 ZINC000291096509 349857458 /nfs/dbraw/zinc/85/74/58/349857458.db2.gz JXUDINNMLAHRNI-UHFFFAOYSA-N 1 2 228.259 1.002 20 30 BDEDLO C=C1CC[NH+]([C@H](C)c2nccc(N)n2)CC1 ZINC000570460983 323060421 /nfs/dbraw/zinc/06/04/21/323060421.db2.gz KOHCKZVZRBFIDR-SNVBAGLBSA-N 1 2 218.304 1.602 20 30 BDEDLO C=C[C@@H](C)NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418748859 192066636 /nfs/dbraw/zinc/06/66/36/192066636.db2.gz BMIWOJHETNHHBZ-BDAKNGLRSA-N 1 2 247.289 1.105 20 30 BDEDLO C=CC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000111786393 344209830 /nfs/dbraw/zinc/20/98/30/344209830.db2.gz AQOQXZCEYRTGNC-UHFFFAOYSA-N 1 2 248.330 1.491 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)C(=O)OC ZINC000600616569 344337882 /nfs/dbraw/zinc/33/78/82/344337882.db2.gz YNMNWYZRHNYTJG-WDEREUQCSA-N 1 2 223.316 1.884 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000381483567 344511432 /nfs/dbraw/zinc/51/14/32/344511432.db2.gz UIMAJLBYACJYEQ-VIFPVBQESA-N 1 2 214.272 1.812 20 30 BDEDLO Cc1ccc(C[NH+]2CCN(CC#N)CC2)nc1 ZINC000119923310 344684265 /nfs/dbraw/zinc/68/42/65/344684265.db2.gz ORJVWPKAQIWJMV-UHFFFAOYSA-N 1 2 230.315 1.031 20 30 BDEDLO C=CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075687208 344785048 /nfs/dbraw/zinc/78/50/48/344785048.db2.gz WIQZVJNJCOAAMP-UHFFFAOYSA-N 1 2 248.330 1.247 20 30 BDEDLO C[C@@H](CNc1nccnc1C#N)Cn1cc[nH+]c1 ZINC000076921740 344808053 /nfs/dbraw/zinc/80/80/53/344808053.db2.gz WJEPUTRJEHZCTI-JTQLQIEISA-N 1 2 242.286 1.293 20 30 BDEDLO CCn1cc(C[N@H+](CC)CCC#N)cn1 ZINC000050539867 344840464 /nfs/dbraw/zinc/84/04/64/344840464.db2.gz UHVSUKOJWZDOKY-UHFFFAOYSA-N 1 2 206.293 1.639 20 30 BDEDLO CCn1cc(C[N@@H+](CC)CCC#N)cn1 ZINC000050539867 344840466 /nfs/dbraw/zinc/84/04/66/344840466.db2.gz UHVSUKOJWZDOKY-UHFFFAOYSA-N 1 2 206.293 1.639 20 30 BDEDLO CCN(CC#N)Cc1cn2c(cccc2C)[nH+]1 ZINC000121035655 344908863 /nfs/dbraw/zinc/90/88/63/344908863.db2.gz JFXFDLNXINJHKU-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC1(C#N)CC1 ZINC000408260317 344960271 /nfs/dbraw/zinc/96/02/71/344960271.db2.gz UIHQHYCVUZFJDE-WOPDTQHZSA-N 1 2 248.326 1.564 20 30 BDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC1(C#N)CC1 ZINC000408260317 344960272 /nfs/dbraw/zinc/96/02/72/344960272.db2.gz UIHQHYCVUZFJDE-WOPDTQHZSA-N 1 2 248.326 1.564 20 30 BDEDLO CC(C)(C#N)CCC[N@H+](CCO)CC(F)F ZINC000194836321 534980959 /nfs/dbraw/zinc/98/09/59/534980959.db2.gz ZLKPFUCZWLXBCY-UHFFFAOYSA-N 1 2 234.290 1.876 20 30 BDEDLO CC(C)(C#N)CCC[N@@H+](CCO)CC(F)F ZINC000194836321 534980962 /nfs/dbraw/zinc/98/09/62/534980962.db2.gz ZLKPFUCZWLXBCY-UHFFFAOYSA-N 1 2 234.290 1.876 20 30 BDEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]cc2F)C1=O ZINC000641549642 362497416 /nfs/dbraw/zinc/49/74/16/362497416.db2.gz BJHVDQUVEXJJIM-LBPRGKRZSA-N 1 2 249.289 1.444 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC000299067038 537883184 /nfs/dbraw/zinc/88/31/84/537883184.db2.gz OMEAPZFXJUHGGX-UHFFFAOYSA-N 1 2 216.240 2.000 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000299067038 537883189 /nfs/dbraw/zinc/88/31/89/537883189.db2.gz OMEAPZFXJUHGGX-UHFFFAOYSA-N 1 2 216.240 2.000 20 30 BDEDLO Cc1nnc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000309714943 323082701 /nfs/dbraw/zinc/08/27/01/323082701.db2.gz SMTCDGRCKQLIJY-UHFFFAOYSA-N 1 2 234.284 1.601 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641623384 362554086 /nfs/dbraw/zinc/55/40/86/362554086.db2.gz HOOCKDGEIQNVFW-LLVKDONJSA-N 1 2 222.288 1.313 20 30 BDEDLO CC[C@H](C#N)Sc1[nH+]cnc2c1cnn2C ZINC000127410828 345180035 /nfs/dbraw/zinc/18/00/35/345180035.db2.gz CZZJEEBPHFUEER-SSDOTTSWSA-N 1 2 233.300 1.758 20 30 BDEDLO N#CCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156135647 345127160 /nfs/dbraw/zinc/12/71/60/345127160.db2.gz PRYJEZFXTLHICY-CYBMUJFWSA-N 1 2 243.310 1.463 20 30 BDEDLO N#CCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156135647 345127163 /nfs/dbraw/zinc/12/71/63/345127163.db2.gz PRYJEZFXTLHICY-CYBMUJFWSA-N 1 2 243.310 1.463 20 30 BDEDLO C=C(C)CN(CC)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635261794 345289873 /nfs/dbraw/zinc/28/98/73/345289873.db2.gz KJOROKIOYJZJLS-UHFFFAOYSA-N 1 2 235.331 1.939 20 30 BDEDLO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC#N)C1 ZINC000080898211 345453649 /nfs/dbraw/zinc/45/36/49/345453649.db2.gz FBEPNPKPYNMXFN-CMPLNLGQSA-N 1 2 210.321 1.677 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c(C#N)c1 ZINC000135113717 345432716 /nfs/dbraw/zinc/43/27/16/345432716.db2.gz HFFYMTWKVYONQL-UHFFFAOYSA-N 1 2 238.290 1.635 20 30 BDEDLO Cc1ccc(C#N)cc1NC(=O)Cn1cc[nH+]c1 ZINC000081301446 345470063 /nfs/dbraw/zinc/47/00/63/345470063.db2.gz BXCYICRBMHOBTQ-UHFFFAOYSA-N 1 2 240.266 1.702 20 30 BDEDLO COc1ccc(CO[NH+]=C(N)CCO)cc1F ZINC000136068626 345473124 /nfs/dbraw/zinc/47/31/24/345473124.db2.gz XWGYFKFCHSPRCG-UHFFFAOYSA-N 1 2 242.250 1.006 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000249941373 362610528 /nfs/dbraw/zinc/61/05/28/362610528.db2.gz HSIXKDYURBJQJL-NWDGAFQWSA-N 1 2 237.347 1.479 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000249941373 362610534 /nfs/dbraw/zinc/61/05/34/362610534.db2.gz HSIXKDYURBJQJL-NWDGAFQWSA-N 1 2 237.347 1.479 20 30 BDEDLO Cc1nc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc[nH+]1 ZINC000603403085 349937835 /nfs/dbraw/zinc/93/78/35/349937835.db2.gz UQAGHKTZQQHOOJ-PHIMTYICSA-N 1 2 245.330 1.208 20 30 BDEDLO C#CC[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000363526926 345761922 /nfs/dbraw/zinc/76/19/22/345761922.db2.gz DPZHMYRDRQSBLT-UHFFFAOYSA-N 1 2 248.351 1.529 20 30 BDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000363526926 345761925 /nfs/dbraw/zinc/76/19/25/345761925.db2.gz DPZHMYRDRQSBLT-UHFFFAOYSA-N 1 2 248.351 1.529 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000139664972 345801092 /nfs/dbraw/zinc/80/10/92/345801092.db2.gz RVMFJRXXEDVWQY-RKDXNWHRSA-N 1 2 220.276 1.527 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000139664708 345801191 /nfs/dbraw/zinc/80/11/91/345801191.db2.gz RVMFJRXXEDVWQY-BDAKNGLRSA-N 1 2 220.276 1.527 20 30 BDEDLO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000588968158 345836484 /nfs/dbraw/zinc/83/64/84/345836484.db2.gz HVTXMOKIDGFNFB-KOLCDFICSA-N 1 2 214.284 1.331 20 30 BDEDLO CC(C)(C)[C@H](O)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000588968158 345836487 /nfs/dbraw/zinc/83/64/87/345836487.db2.gz HVTXMOKIDGFNFB-KOLCDFICSA-N 1 2 214.284 1.331 20 30 BDEDLO COC(=O)c1ccc(C[NH2+][C@@H](C)CC#N)o1 ZINC000381763451 346025608 /nfs/dbraw/zinc/02/56/08/346025608.db2.gz UOSLABBRZXSDRA-QMMMGPOBSA-N 1 2 222.244 1.458 20 30 BDEDLO COc1ccc(C[NH2+][C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000609449279 346076703 /nfs/dbraw/zinc/07/67/03/346076703.db2.gz SXXHRKLAQHTSLI-VIFPVBQESA-N 1 2 249.270 1.995 20 30 BDEDLO C[C@H](CC(F)F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571050407 323105487 /nfs/dbraw/zinc/10/54/87/323105487.db2.gz PIYNWAVIUHTQEJ-LDYMZIIASA-N 1 2 247.289 1.238 20 30 BDEDLO CS(=O)(=O)c1ccc(C[NH2+]CCC#N)s1 ZINC000518758855 346458228 /nfs/dbraw/zinc/45/82/28/346458228.db2.gz FLSONUMTGRWJOI-UHFFFAOYSA-N 1 2 244.341 1.155 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC000401234141 346502417 /nfs/dbraw/zinc/50/24/17/346502417.db2.gz PVMZMCSDKDWQKW-SECBINFHSA-N 1 2 228.259 1.045 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000301053123 346572492 /nfs/dbraw/zinc/57/24/92/346572492.db2.gz XONZZTXRUYEFQM-AXFHLTTASA-N 1 2 227.304 1.071 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000301053123 346572497 /nfs/dbraw/zinc/57/24/97/346572497.db2.gz XONZZTXRUYEFQM-AXFHLTTASA-N 1 2 227.304 1.071 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000301017675 346568434 /nfs/dbraw/zinc/56/84/34/346568434.db2.gz IKTIXBWNZLELJH-DCAQKATOSA-N 1 2 211.305 1.882 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000589173211 346668752 /nfs/dbraw/zinc/66/87/52/346668752.db2.gz PWHLJYQIPBABNX-CYBMUJFWSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000589173211 346668753 /nfs/dbraw/zinc/66/87/53/346668753.db2.gz PWHLJYQIPBABNX-CYBMUJFWSA-N 1 2 232.331 1.854 20 30 BDEDLO C[C@@H]1COCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589502457 346708705 /nfs/dbraw/zinc/70/87/05/346708705.db2.gz UOGVCYBIRMPCAI-SECBINFHSA-N 1 2 237.328 1.626 20 30 BDEDLO C[C@@H]1COCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000589502457 346708706 /nfs/dbraw/zinc/70/87/06/346708706.db2.gz UOGVCYBIRMPCAI-SECBINFHSA-N 1 2 237.328 1.626 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)C(C)(C)CO ZINC000589496723 346709243 /nfs/dbraw/zinc/70/92/43/346709243.db2.gz HWCNGGFULIMXBU-UHFFFAOYSA-N 1 2 225.317 1.217 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)C(C)(C)CO ZINC000589496723 346709245 /nfs/dbraw/zinc/70/92/45/346709245.db2.gz HWCNGGFULIMXBU-UHFFFAOYSA-N 1 2 225.317 1.217 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000589309632 346688946 /nfs/dbraw/zinc/68/89/46/346688946.db2.gz YKFACFNUHNHZJB-NEPJUHHUSA-N 1 2 249.314 1.166 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000589309632 346688949 /nfs/dbraw/zinc/68/89/49/346688949.db2.gz YKFACFNUHNHZJB-NEPJUHHUSA-N 1 2 249.314 1.166 20 30 BDEDLO Cn1cnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000590158178 346783016 /nfs/dbraw/zinc/78/30/16/346783016.db2.gz FMZXSOKHNXAAPD-GHMZBOCLSA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1cnc2c1CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000590158178 346783019 /nfs/dbraw/zinc/78/30/19/346783019.db2.gz FMZXSOKHNXAAPD-GHMZBOCLSA-N 1 2 230.315 1.470 20 30 BDEDLO Cn1c[nH+]c2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000590158178 346783021 /nfs/dbraw/zinc/78/30/21/346783021.db2.gz FMZXSOKHNXAAPD-GHMZBOCLSA-N 1 2 230.315 1.470 20 30 BDEDLO C[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000192988626 347387719 /nfs/dbraw/zinc/38/77/19/347387719.db2.gz IXHZDZFKXVJHMK-LLVKDONJSA-N 1 2 219.288 1.178 20 30 BDEDLO C[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000192988626 347387721 /nfs/dbraw/zinc/38/77/21/347387721.db2.gz IXHZDZFKXVJHMK-LLVKDONJSA-N 1 2 219.288 1.178 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000590756871 347506083 /nfs/dbraw/zinc/50/60/83/347506083.db2.gz DGUQYYAVCBVQSE-QJPTWQEYSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000590756871 347506086 /nfs/dbraw/zinc/50/60/86/347506086.db2.gz DGUQYYAVCBVQSE-QJPTWQEYSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@@H]([NH2+]CCCC1CCOCC1)C(=O)OC ZINC000591374002 347649620 /nfs/dbraw/zinc/64/96/20/347649620.db2.gz GEKWLWDFRPMRTI-GFCCVEGCSA-N 1 2 241.331 1.510 20 30 BDEDLO C=C[C@H]([NH2+]CCC1CC(F)(F)C1)C(=O)OC ZINC000591376466 347650227 /nfs/dbraw/zinc/65/02/27/347650227.db2.gz KHQYJLFFQQWNBO-VIFPVBQESA-N 1 2 233.258 1.739 20 30 BDEDLO C=C[C@@H]([NH2+]CC1CCC(F)CC1)C(=O)OC ZINC000592445664 347779739 /nfs/dbraw/zinc/77/97/39/347779739.db2.gz WDTCPZJLQHFHSN-VQXHTEKXSA-N 1 2 229.295 1.832 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000592141286 347747946 /nfs/dbraw/zinc/74/79/46/347747946.db2.gz WMKRANWQUPIRSZ-KOLCDFICSA-N 1 2 249.339 1.626 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000592141286 347747948 /nfs/dbraw/zinc/74/79/48/347747948.db2.gz WMKRANWQUPIRSZ-KOLCDFICSA-N 1 2 249.339 1.626 20 30 BDEDLO CC#CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577292191 365920473 /nfs/dbraw/zinc/92/04/73/365920473.db2.gz FRDDXDGCLXEBNK-JTQLQIEISA-N 1 2 219.288 1.070 20 30 BDEDLO CC#CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577292191 365920479 /nfs/dbraw/zinc/92/04/79/365920479.db2.gz FRDDXDGCLXEBNK-JTQLQIEISA-N 1 2 219.288 1.070 20 30 BDEDLO Cc1cncc(CC[N@@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000593016740 347845388 /nfs/dbraw/zinc/84/53/88/347845388.db2.gz DSHKKMIRHYNLSI-NSHDSACASA-N 1 2 244.342 1.952 20 30 BDEDLO Cc1cncc(CC[N@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000593016740 347845391 /nfs/dbraw/zinc/84/53/91/347845391.db2.gz DSHKKMIRHYNLSI-NSHDSACASA-N 1 2 244.342 1.952 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118686 347862812 /nfs/dbraw/zinc/86/28/12/347862812.db2.gz RHYKYVCTSFOITJ-WCBMZHEXSA-N 1 2 231.242 1.445 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118686 347862813 /nfs/dbraw/zinc/86/28/13/347862813.db2.gz RHYKYVCTSFOITJ-WCBMZHEXSA-N 1 2 231.242 1.445 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1COCCO1)C2 ZINC000593125893 347864293 /nfs/dbraw/zinc/86/42/93/347864293.db2.gz QGVPOFSRUPQUSX-ZDUSSCGKSA-N 1 2 244.294 1.289 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1COCCO1)C2 ZINC000593125893 347864294 /nfs/dbraw/zinc/86/42/94/347864294.db2.gz QGVPOFSRUPQUSX-ZDUSSCGKSA-N 1 2 244.294 1.289 20 30 BDEDLO CC[C@@H](C#N)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593445503 347892150 /nfs/dbraw/zinc/89/21/50/347892150.db2.gz YKEGWPBJWDCKLI-JTQLQIEISA-N 1 2 246.314 1.180 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000593448646 347892519 /nfs/dbraw/zinc/89/25/19/347892519.db2.gz ULIFPRTVRUXOSN-JTQLQIEISA-N 1 2 245.282 1.221 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000593480368 347896316 /nfs/dbraw/zinc/89/63/16/347896316.db2.gz VLLKYQZOWDSUMF-NSHDSACASA-N 1 2 246.314 1.550 20 30 BDEDLO CC[C@@H](C#N)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000593482377 347896655 /nfs/dbraw/zinc/89/66/55/347896655.db2.gz XEVCIGSRAGTBFO-QWRGUYRKSA-N 1 2 234.303 1.185 20 30 BDEDLO N#CC1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC000593773706 347945383 /nfs/dbraw/zinc/94/53/83/347945383.db2.gz OCLCJKPUVZJHFL-UHFFFAOYSA-N 1 2 246.314 1.542 20 30 BDEDLO N#CC1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC000593773706 347945385 /nfs/dbraw/zinc/94/53/85/347945385.db2.gz OCLCJKPUVZJHFL-UHFFFAOYSA-N 1 2 246.314 1.542 20 30 BDEDLO N#CC1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000593774499 347945873 /nfs/dbraw/zinc/94/58/73/347945873.db2.gz BTKOCKJYDBYWMW-UHFFFAOYSA-N 1 2 232.287 1.083 20 30 BDEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000594014762 347989843 /nfs/dbraw/zinc/98/98/43/347989843.db2.gz JWVFVXTYOGIISX-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000594014762 347989844 /nfs/dbraw/zinc/98/98/44/347989844.db2.gz JWVFVXTYOGIISX-FZMZJTMJSA-N 1 2 245.326 1.953 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)CC1(C#N)CC1 ZINC000594366715 348043080 /nfs/dbraw/zinc/04/30/80/348043080.db2.gz SPZFXFSRIZCQOG-UHFFFAOYSA-N 1 2 232.287 1.213 20 30 BDEDLO Cn1ncc(C2CCC2)c1C[NH2+]CCC#N ZINC000594731092 348113374 /nfs/dbraw/zinc/11/33/74/348113374.db2.gz FJVWHXXXCCVUAH-UHFFFAOYSA-N 1 2 218.304 1.691 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc[nH]n2)CCCCC1 ZINC000594981681 348164131 /nfs/dbraw/zinc/16/41/31/348164131.db2.gz SQDDKNGXDQPFDG-UHFFFAOYSA-N 1 2 218.304 1.973 20 30 BDEDLO CCOC(=O)C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595297676 348217138 /nfs/dbraw/zinc/21/71/38/348217138.db2.gz IWPPLHHCFJDSTJ-UHFFFAOYSA-N 1 2 246.310 1.596 20 30 BDEDLO CCOC(=O)C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595297676 348217142 /nfs/dbraw/zinc/21/71/42/348217142.db2.gz IWPPLHHCFJDSTJ-UHFFFAOYSA-N 1 2 246.310 1.596 20 30 BDEDLO COC(=O)C(C)(C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595309449 348223590 /nfs/dbraw/zinc/22/35/90/348223590.db2.gz SVABJBBNAWPBTN-UHFFFAOYSA-N 1 2 246.310 1.642 20 30 BDEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000389627638 537999944 /nfs/dbraw/zinc/99/99/44/537999944.db2.gz LBSJPPHCKQJAIU-RKDXNWHRSA-N 1 2 207.277 1.831 20 30 BDEDLO N#C[C@H](c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000595491031 348262359 /nfs/dbraw/zinc/26/23/59/348262359.db2.gz QJVZHILGLROXNV-CQSZACIVSA-N 1 2 238.294 1.964 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(C#N)cn1 ZINC000595591121 348277589 /nfs/dbraw/zinc/27/75/89/348277589.db2.gz DIMITYUZJCJHEP-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO C[N@@H+](Cc1cnc[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000595593330 348278824 /nfs/dbraw/zinc/27/88/24/348278824.db2.gz VCPWTDRCQYJXSU-ONGXEEELSA-N 1 2 204.277 1.534 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595622442 348291217 /nfs/dbraw/zinc/29/12/17/348291217.db2.gz AORBXMZQPPKIPL-QWRGUYRKSA-N 1 2 222.288 1.340 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595622442 348291219 /nfs/dbraw/zinc/29/12/19/348291219.db2.gz AORBXMZQPPKIPL-QWRGUYRKSA-N 1 2 222.288 1.340 20 30 BDEDLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595622374 348291272 /nfs/dbraw/zinc/29/12/72/348291272.db2.gz AAXJJGVLFPKBJH-GXSJLCMTSA-N 1 2 233.319 1.800 20 30 BDEDLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595622374 348291273 /nfs/dbraw/zinc/29/12/73/348291273.db2.gz AAXJJGVLFPKBJH-GXSJLCMTSA-N 1 2 233.319 1.800 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000595622917 348291284 /nfs/dbraw/zinc/29/12/84/348291284.db2.gz FWYOXOLXKQFFNR-GFCCVEGCSA-N 1 2 244.342 1.955 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000595622917 348291285 /nfs/dbraw/zinc/29/12/85/348291285.db2.gz FWYOXOLXKQFFNR-GFCCVEGCSA-N 1 2 244.342 1.955 20 30 BDEDLO C[C@@H](C#N)[N@H+](C[C@H]1CCNC(=O)CC1)C1CC1 ZINC000595709037 348320303 /nfs/dbraw/zinc/32/03/03/348320303.db2.gz BRXICPRPUWRXSW-WDEREUQCSA-N 1 2 235.331 1.279 20 30 BDEDLO C[C@@H](C#N)[N@@H+](C[C@H]1CCNC(=O)CC1)C1CC1 ZINC000595709037 348320306 /nfs/dbraw/zinc/32/03/06/348320306.db2.gz BRXICPRPUWRXSW-WDEREUQCSA-N 1 2 235.331 1.279 20 30 BDEDLO C[C@@H](C#N)N(Cc1c[nH+]cn1C)C1CC1 ZINC000595719896 348327104 /nfs/dbraw/zinc/32/71/04/348327104.db2.gz ATIOKPOWYMULRB-VIFPVBQESA-N 1 2 204.277 1.297 20 30 BDEDLO C=C(CC)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595775687 348338074 /nfs/dbraw/zinc/33/80/74/348338074.db2.gz PVUNJNAIMHBAIA-NSHDSACASA-N 1 2 217.284 1.834 20 30 BDEDLO N#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595787728 348346102 /nfs/dbraw/zinc/34/61/02/348346102.db2.gz HHVCZDPACBUMPC-RYUDHWBXSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595787728 348346104 /nfs/dbraw/zinc/34/61/04/348346104.db2.gz HHVCZDPACBUMPC-RYUDHWBXSA-N 1 2 208.305 1.791 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835180 348369305 /nfs/dbraw/zinc/36/93/05/348369305.db2.gz PCJIBQSOYVMTJM-YPMHNXCESA-N 1 2 237.347 1.479 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835180 348369306 /nfs/dbraw/zinc/36/93/06/348369306.db2.gz PCJIBQSOYVMTJM-YPMHNXCESA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836430 348369798 /nfs/dbraw/zinc/36/97/98/348369798.db2.gz ZKBPGUAQOKEHLQ-YPMHNXCESA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836430 348369801 /nfs/dbraw/zinc/36/98/01/348369801.db2.gz ZKBPGUAQOKEHLQ-YPMHNXCESA-N 1 2 237.347 1.383 20 30 BDEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836018 348370097 /nfs/dbraw/zinc/37/00/97/348370097.db2.gz USHVBEKFUXJATE-OCCSQVGLSA-N 1 2 249.358 1.480 20 30 BDEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595836018 348370098 /nfs/dbraw/zinc/37/00/98/348370098.db2.gz USHVBEKFUXJATE-OCCSQVGLSA-N 1 2 249.358 1.480 20 30 BDEDLO Cc1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595839694 348373348 /nfs/dbraw/zinc/37/33/48/348373348.db2.gz IFJBDXZGQDQCEJ-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1ncc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595839694 348373350 /nfs/dbraw/zinc/37/33/50/348373350.db2.gz IFJBDXZGQDQCEJ-GFCCVEGCSA-N 1 2 216.288 1.521 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000595841997 348377388 /nfs/dbraw/zinc/37/73/88/348377388.db2.gz BJEOEMWBUBPRHT-RKDXNWHRSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000595841997 348377389 /nfs/dbraw/zinc/37/73/89/348377389.db2.gz BJEOEMWBUBPRHT-RKDXNWHRSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000595842350 348377815 /nfs/dbraw/zinc/37/78/15/348377815.db2.gz DQKKAKUUKLDEIC-GFCCVEGCSA-N 1 2 216.288 1.230 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000595842350 348377818 /nfs/dbraw/zinc/37/78/18/348377818.db2.gz DQKKAKUUKLDEIC-GFCCVEGCSA-N 1 2 216.288 1.230 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000595843823 348380912 /nfs/dbraw/zinc/38/09/12/348380912.db2.gz NSSNICOTDJQFEZ-YUMQZZPRSA-N 1 2 222.210 1.145 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000595843823 348380915 /nfs/dbraw/zinc/38/09/15/348380915.db2.gz NSSNICOTDJQFEZ-YUMQZZPRSA-N 1 2 222.210 1.145 20 30 BDEDLO CC[N@H+](CCCN1CCCC1=O)[C@H](C)C#N ZINC000595814095 348353569 /nfs/dbraw/zinc/35/35/69/348353569.db2.gz QMFGUQCNDSTZPO-LLVKDONJSA-N 1 2 223.320 1.233 20 30 BDEDLO CC[N@@H+](CCCN1CCCC1=O)[C@H](C)C#N ZINC000595814095 348353571 /nfs/dbraw/zinc/35/35/71/348353571.db2.gz QMFGUQCNDSTZPO-LLVKDONJSA-N 1 2 223.320 1.233 20 30 BDEDLO Cn1c[nH+]c(CN2CC[C@@](C)(C#N)C2)c1 ZINC000595844985 348354207 /nfs/dbraw/zinc/35/42/07/348354207.db2.gz WXRAVPMQLNUORV-NSHDSACASA-N 1 2 204.277 1.156 20 30 BDEDLO C[C@H]1[C@H](C)[N@H+](CCC#N)CCN1CCC#N ZINC000595885765 348389209 /nfs/dbraw/zinc/38/92/09/348389209.db2.gz IYUSBHNZMZOUDI-RYUDHWBXSA-N 1 2 220.320 1.208 20 30 BDEDLO C[C@H]1[C@H](C)[N@@H+](CCC#N)CCN1CCC#N ZINC000595885765 348389210 /nfs/dbraw/zinc/38/92/10/348389210.db2.gz IYUSBHNZMZOUDI-RYUDHWBXSA-N 1 2 220.320 1.208 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)C(=O)OC ZINC000596051906 348433026 /nfs/dbraw/zinc/43/30/26/348433026.db2.gz QZIXWBCUAXFJBJ-UWVGGRQHSA-N 1 2 227.304 1.119 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnn1C ZINC000596163775 348459985 /nfs/dbraw/zinc/45/99/85/348459985.db2.gz BPIVDUCYUNCWCM-UHFFFAOYSA-N 1 2 244.302 1.015 20 30 BDEDLO COC[C@@H](CCNc1cc(C)[nH+]cc1C#N)OC ZINC000596326998 348508012 /nfs/dbraw/zinc/50/80/12/348508012.db2.gz DCXPNCHZIDYMEE-GFCCVEGCSA-N 1 2 249.314 1.147 20 30 BDEDLO COC[C@H](CCNc1cc(C)[nH+]cc1C#N)OC ZINC000596326999 348508091 /nfs/dbraw/zinc/50/80/91/348508091.db2.gz DCXPNCHZIDYMEE-LBPRGKRZSA-N 1 2 249.314 1.147 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597036735 348646867 /nfs/dbraw/zinc/64/68/67/348646867.db2.gz XYJXKLREBDBZHP-GWCFXTLKSA-N 1 2 246.314 1.254 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000597084385 348656239 /nfs/dbraw/zinc/65/62/39/348656239.db2.gz ZBDZVDGJSMSPJW-SSDOTTSWSA-N 1 2 246.236 1.688 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000597081688 348658905 /nfs/dbraw/zinc/65/89/05/348658905.db2.gz CTERPRXVVBIQIM-VIFPVBQESA-N 1 2 218.304 1.547 20 30 BDEDLO CCCn1nccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000597157039 348665821 /nfs/dbraw/zinc/66/58/21/348665821.db2.gz NWSNHLWKBQBFHN-CYBMUJFWSA-N 1 2 248.330 1.144 20 30 BDEDLO CCCn1nccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000597157039 348665823 /nfs/dbraw/zinc/66/58/23/348665823.db2.gz NWSNHLWKBQBFHN-CYBMUJFWSA-N 1 2 248.330 1.144 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn2c1CCC2 ZINC000596995597 348640134 /nfs/dbraw/zinc/64/01/34/348640134.db2.gz KWAUBWVXTMIGMZ-SNVBAGLBSA-N 1 2 218.304 1.563 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn2c1CCC2 ZINC000596995597 348640137 /nfs/dbraw/zinc/64/01/37/348640137.db2.gz KWAUBWVXTMIGMZ-SNVBAGLBSA-N 1 2 218.304 1.563 20 30 BDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)CC#N ZINC000597291403 348713090 /nfs/dbraw/zinc/71/30/90/348713090.db2.gz YRABDXOIQVGUNH-NSHDSACASA-N 1 2 248.330 1.705 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc3c(n2)CCC3)C1 ZINC000597203525 348677231 /nfs/dbraw/zinc/67/72/31/348677231.db2.gz JNFIHNQYSDKEJZ-UHFFFAOYSA-N 1 2 227.311 1.916 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc3nccn32)C1 ZINC000597203723 348677487 /nfs/dbraw/zinc/67/74/87/348677487.db2.gz MZGSYSGGUAZPPX-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO N#CCC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC000597203723 348677492 /nfs/dbraw/zinc/67/74/92/348677492.db2.gz MZGSYSGGUAZPPX-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO COCCn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597230980 348698498 /nfs/dbraw/zinc/69/84/98/348698498.db2.gz VMEWLAVQJBGGGW-CYBMUJFWSA-N 1 2 248.330 1.265 20 30 BDEDLO COCCn1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597230980 348698500 /nfs/dbraw/zinc/69/85/00/348698500.db2.gz VMEWLAVQJBGGGW-CYBMUJFWSA-N 1 2 248.330 1.265 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230920 348698847 /nfs/dbraw/zinc/69/88/47/348698847.db2.gz UVWFNVFLNWZZHM-NSHDSACASA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1n[nH]cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230920 348698850 /nfs/dbraw/zinc/69/88/50/348698850.db2.gz UVWFNVFLNWZZHM-NSHDSACASA-N 1 2 204.277 1.454 20 30 BDEDLO C=Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597232368 348699873 /nfs/dbraw/zinc/69/98/73/348699873.db2.gz TZJVUKTVVGMVON-GFCCVEGCSA-N 1 2 216.288 1.719 20 30 BDEDLO C=Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597232368 348699875 /nfs/dbraw/zinc/69/98/75/348699875.db2.gz TZJVUKTVVGMVON-GFCCVEGCSA-N 1 2 216.288 1.719 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597508918 348747427 /nfs/dbraw/zinc/74/74/27/348747427.db2.gz USLXBBRKCYILTF-HBNTYKKESA-N 1 2 246.314 1.332 20 30 BDEDLO CC[C@@H](NC(=O)[C@@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000597518052 348749074 /nfs/dbraw/zinc/74/90/74/348749074.db2.gz AQBLRRKBKNPKRS-DTWKUNHWSA-N 1 2 220.276 1.527 20 30 BDEDLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C)C#N ZINC000598349478 348936442 /nfs/dbraw/zinc/93/64/42/348936442.db2.gz KYMWCBFOWFPHPH-MNOVXSKESA-N 1 2 246.314 1.206 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598137099 348904838 /nfs/dbraw/zinc/90/48/38/348904838.db2.gz LQCUELVTFSIPMK-ZJUUUORDSA-N 1 2 246.314 1.491 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598137099 348904839 /nfs/dbraw/zinc/90/48/39/348904839.db2.gz LQCUELVTFSIPMK-ZJUUUORDSA-N 1 2 246.314 1.491 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354025469 348976607 /nfs/dbraw/zinc/97/66/07/348976607.db2.gz DTRDLFGMSZNAFC-SNVBAGLBSA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354025469 348976609 /nfs/dbraw/zinc/97/66/09/348976609.db2.gz DTRDLFGMSZNAFC-SNVBAGLBSA-N 1 2 232.331 1.853 20 30 BDEDLO C[C@@H](NC(=O)CCCCC#N)c1[nH+]ccn1C ZINC000598465776 348978287 /nfs/dbraw/zinc/97/82/87/348978287.db2.gz UMUWEGVDQMCEOU-SNVBAGLBSA-N 1 2 234.303 1.681 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598463991 348978522 /nfs/dbraw/zinc/97/85/22/348978522.db2.gz DOAPTCRIXMUMKR-CABZTGNLSA-N 1 2 234.303 1.537 20 30 BDEDLO C[N@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598590601 348997566 /nfs/dbraw/zinc/99/75/66/348997566.db2.gz ROWAMBXGSREPKS-MRVPVSSYSA-N 1 2 220.263 1.484 20 30 BDEDLO C[N@@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598590601 348997569 /nfs/dbraw/zinc/99/75/69/348997569.db2.gz ROWAMBXGSREPKS-MRVPVSSYSA-N 1 2 220.263 1.484 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](C)C#N ZINC000598362643 348948292 /nfs/dbraw/zinc/94/82/92/348948292.db2.gz GVFDZRXTAOMTIC-NXEZZACHSA-N 1 2 246.314 1.275 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](C)C#N ZINC000598362643 348948295 /nfs/dbraw/zinc/94/82/95/348948295.db2.gz GVFDZRXTAOMTIC-NXEZZACHSA-N 1 2 246.314 1.275 20 30 BDEDLO C[C@]1(C#N)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000598417359 348971330 /nfs/dbraw/zinc/97/13/30/348971330.db2.gz ZEARHESPKUUMRK-GFCCVEGCSA-N 1 2 232.287 1.035 20 30 BDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000598600020 349005539 /nfs/dbraw/zinc/00/55/39/349005539.db2.gz BPEYIJRERDCVNL-SECBINFHSA-N 1 2 232.274 1.628 20 30 BDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000598600020 349005543 /nfs/dbraw/zinc/00/55/43/349005543.db2.gz BPEYIJRERDCVNL-SECBINFHSA-N 1 2 232.274 1.628 20 30 BDEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000598702869 349022637 /nfs/dbraw/zinc/02/26/37/349022637.db2.gz YZNGQCSSTIUIRL-MRVPVSSYSA-N 1 2 248.273 1.211 20 30 BDEDLO Cc1ccnc(NC[C@@H]2COCC[N@H+]2C)c1C#N ZINC000599161845 349108941 /nfs/dbraw/zinc/10/89/41/349108941.db2.gz WUEQNXRISIPZQB-LLVKDONJSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccnc(NC[C@@H]2COCC[N@@H+]2C)c1C#N ZINC000599161845 349108943 /nfs/dbraw/zinc/10/89/43/349108943.db2.gz WUEQNXRISIPZQB-LLVKDONJSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cc(N(C)C[C@H]2C[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000599177371 349120028 /nfs/dbraw/zinc/12/00/28/349120028.db2.gz RVMHMXSENJHXDH-KLPPZKSPSA-N 1 2 231.299 1.469 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cnc(C(=O)OC)cn1 ZINC000599266550 349134939 /nfs/dbraw/zinc/13/49/39/349134939.db2.gz JHEVRZJHVYNZAG-UHFFFAOYSA-N 1 2 247.298 1.437 20 30 BDEDLO N#Cc1cnccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000599421169 349182595 /nfs/dbraw/zinc/18/25/95/349182595.db2.gz AHZMNGJBLCKFDW-UHFFFAOYSA-N 1 2 239.282 1.235 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cnns2)CC1 ZINC000599366381 349160517 /nfs/dbraw/zinc/16/05/17/349160517.db2.gz OXJCYGAMLYTNGQ-UHFFFAOYSA-N 1 2 222.317 1.664 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@@H+](CC#N)CCCCN(C)CC#N ZINC000599610884 349228062 /nfs/dbraw/zinc/22/80/62/349228062.db2.gz WFEORXZJHKHECL-ZIAGYGMSSA-N 1 2 248.374 1.704 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@H+](CC#N)CCCCN(C)CC#N ZINC000599610884 349228065 /nfs/dbraw/zinc/22/80/65/349228065.db2.gz WFEORXZJHKHECL-ZIAGYGMSSA-N 1 2 248.374 1.704 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1(CC#N)CC1 ZINC000601605687 349310620 /nfs/dbraw/zinc/31/06/20/349310620.db2.gz GKOHCMLYGRGDTK-UHFFFAOYSA-N 1 2 247.302 1.245 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000309022933 349316276 /nfs/dbraw/zinc/31/62/76/349316276.db2.gz YHHZGZVUYCHJJS-MRVPVSSYSA-N 1 2 221.329 1.881 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601664723 349321416 /nfs/dbraw/zinc/32/14/16/349321416.db2.gz PKESWKMINODUHM-UHFFFAOYSA-N 1 2 244.298 1.452 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601664723 349321417 /nfs/dbraw/zinc/32/14/17/349321417.db2.gz PKESWKMINODUHM-UHFFFAOYSA-N 1 2 244.298 1.452 20 30 BDEDLO Cc1nccc([C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000603834102 350042500 /nfs/dbraw/zinc/04/25/00/350042500.db2.gz HKSJVHHUGSQMTK-LBPRGKRZSA-N 1 2 230.315 1.878 20 30 BDEDLO Cc1nccc([C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000603834102 350042505 /nfs/dbraw/zinc/04/25/05/350042505.db2.gz HKSJVHHUGSQMTK-LBPRGKRZSA-N 1 2 230.315 1.878 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccon1 ZINC000051766644 350097673 /nfs/dbraw/zinc/09/76/73/350097673.db2.gz FMIVJAKAFYDHLR-UHFFFAOYSA-N 1 2 221.260 1.287 20 30 BDEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C)C#N)cc2n1C ZINC000336526969 180088674 /nfs/dbraw/zinc/08/86/74/180088674.db2.gz YBIKNYOVXLBDPP-QMMMGPOBSA-N 1 2 242.282 1.524 20 30 BDEDLO C=C(CC)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637205274 350271743 /nfs/dbraw/zinc/27/17/43/350271743.db2.gz GOXUVUWFVHGWMY-JTQLQIEISA-N 1 2 234.303 1.073 20 30 BDEDLO CC(C)n1cc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000309375797 350362319 /nfs/dbraw/zinc/36/23/19/350362319.db2.gz RGAPOTMBWWKYRM-UHFFFAOYSA-N 1 2 218.304 1.857 20 30 BDEDLO CC1(C[N@H+](CCC#N)Cc2ccccn2)COC1 ZINC000336724328 350478758 /nfs/dbraw/zinc/47/87/58/350478758.db2.gz ZTXHMESOQFYZDP-UHFFFAOYSA-N 1 2 245.326 1.834 20 30 BDEDLO CC1(C[N@@H+](CCC#N)Cc2ccccn2)COC1 ZINC000336724328 350478763 /nfs/dbraw/zinc/47/87/63/350478763.db2.gz ZTXHMESOQFYZDP-UHFFFAOYSA-N 1 2 245.326 1.834 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000091815095 350595345 /nfs/dbraw/zinc/59/53/45/350595345.db2.gz HTLZGVPDFMKFIJ-SECBINFHSA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000091815095 350595347 /nfs/dbraw/zinc/59/53/47/350595347.db2.gz HTLZGVPDFMKFIJ-SECBINFHSA-N 1 2 222.313 1.840 20 30 BDEDLO Cc1cccnc1C[N@@H+](C)C[C@H](C)C#N ZINC000124113714 350682311 /nfs/dbraw/zinc/68/23/11/350682311.db2.gz CKODTFPJZLDTQB-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cccnc1C[N@H+](C)C[C@H](C)C#N ZINC000124113714 350682315 /nfs/dbraw/zinc/68/23/15/350682315.db2.gz CKODTFPJZLDTQB-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccncc1C#N ZINC000309517549 350693382 /nfs/dbraw/zinc/69/33/82/350693382.db2.gz AJQQIQSILJXEHR-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000293253356 350863566 /nfs/dbraw/zinc/86/35/66/350863566.db2.gz ROSYGKQVIWQDPX-JQWIXIFHSA-N 1 2 229.320 1.245 20 30 BDEDLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397572889 350920757 /nfs/dbraw/zinc/92/07/57/350920757.db2.gz CMPOTKOFJXOCAZ-VHSXEESVSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000397572889 350920758 /nfs/dbraw/zinc/92/07/58/350920758.db2.gz CMPOTKOFJXOCAZ-VHSXEESVSA-N 1 2 210.277 1.174 20 30 BDEDLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397575568 350920902 /nfs/dbraw/zinc/92/09/02/350920902.db2.gz FZJAHZIXPPMWNM-LBPRGKRZSA-N 1 2 247.346 1.814 20 30 BDEDLO CCCn1ncnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397575568 350920907 /nfs/dbraw/zinc/92/09/07/350920907.db2.gz FZJAHZIXPPMWNM-LBPRGKRZSA-N 1 2 247.346 1.814 20 30 BDEDLO Cc1[nH]ncc1C[NH2+]CC1(CC#N)CC1 ZINC000336740677 191127904 /nfs/dbraw/zinc/12/79/04/191127904.db2.gz USBUEUWUMLDJEK-UHFFFAOYSA-N 1 2 204.277 1.502 20 30 BDEDLO C=CC1CC[NH+](Cc2noc(C)n2)CC1 ZINC000111257176 191130138 /nfs/dbraw/zinc/13/01/38/191130138.db2.gz HOQNKLIAKYSTEB-UHFFFAOYSA-N 1 2 207.277 1.776 20 30 BDEDLO CCc1noc([C@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000057878673 191132255 /nfs/dbraw/zinc/13/22/55/191132255.db2.gz DAMVWKOEAYYJFG-VIFPVBQESA-N 1 2 234.303 1.929 20 30 BDEDLO C#CCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119513339 358461382 /nfs/dbraw/zinc/46/13/82/358461382.db2.gz OSKGMSQIHAYNLA-LBPRGKRZSA-N 1 2 245.326 1.365 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000271115929 351402387 /nfs/dbraw/zinc/40/23/87/351402387.db2.gz FKNKFPCBKODHEY-SECBINFHSA-N 1 2 238.360 1.801 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000271115929 351402388 /nfs/dbraw/zinc/40/23/88/351402388.db2.gz FKNKFPCBKODHEY-SECBINFHSA-N 1 2 238.360 1.801 20 30 BDEDLO Cn1c[nH+]cc1CO/N=C1/CCCOCC1 ZINC000272206502 351463418 /nfs/dbraw/zinc/46/34/18/351463418.db2.gz PJTSYXCZCQFXEM-RAXLEYEMSA-N 1 2 223.276 1.493 20 30 BDEDLO Cc1nc(C)c(C[NH2+]CC(C)(C)C#N)o1 ZINC000405069981 351579557 /nfs/dbraw/zinc/57/95/57/351579557.db2.gz DHSSTJLJEYXXLV-UHFFFAOYSA-N 1 2 207.277 1.931 20 30 BDEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCC#N ZINC000281393888 351889238 /nfs/dbraw/zinc/88/92/38/351889238.db2.gz NBCHUVDRYQMTTQ-LBPRGKRZSA-N 1 2 218.304 1.861 20 30 BDEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CCC#N ZINC000281393888 351889241 /nfs/dbraw/zinc/88/92/41/351889241.db2.gz NBCHUVDRYQMTTQ-LBPRGKRZSA-N 1 2 218.304 1.861 20 30 BDEDLO NC(=[NH+]OCc1cncc(F)c1)[C@H]1CCCO1 ZINC000284436502 351997405 /nfs/dbraw/zinc/99/74/05/351997405.db2.gz PBSXTTSLVQJDQK-SNVBAGLBSA-N 1 2 239.250 1.189 20 30 BDEDLO Cc1ncc(CO[NH+]=C(N)[C@@H]2CCCO2)s1 ZINC000284492363 351998668 /nfs/dbraw/zinc/99/86/68/351998668.db2.gz SLRFMCQKZIILAG-VIFPVBQESA-N 1 2 241.316 1.419 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000339762604 191147493 /nfs/dbraw/zinc/14/74/93/191147493.db2.gz DFJPZADDHJRSEJ-UHFFFAOYSA-N 1 2 224.348 1.587 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000339762604 191147495 /nfs/dbraw/zinc/14/74/95/191147495.db2.gz DFJPZADDHJRSEJ-UHFFFAOYSA-N 1 2 224.348 1.587 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)[C@@](C)(C#N)CC)CC1 ZINC000286241059 352082758 /nfs/dbraw/zinc/08/27/58/352082758.db2.gz CJZABHFBPMDDIP-CQSZACIVSA-N 1 2 247.342 1.094 20 30 BDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(CC#N)C1 ZINC000289334797 352180875 /nfs/dbraw/zinc/18/08/75/352180875.db2.gz LGQLUMAULZKPEC-LLVKDONJSA-N 1 2 246.314 1.124 20 30 BDEDLO Cc1cnn(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000289380439 352183011 /nfs/dbraw/zinc/18/30/11/352183011.db2.gz PZJBZHPDLKIZRG-UHFFFAOYSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000289380439 352183013 /nfs/dbraw/zinc/18/30/13/352183013.db2.gz PZJBZHPDLKIZRG-UHFFFAOYSA-N 1 2 232.331 1.854 20 30 BDEDLO N#CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000020199472 352140729 /nfs/dbraw/zinc/14/07/29/352140729.db2.gz UKULVXNVHDNIJH-UHFFFAOYSA-N 1 2 226.283 1.876 20 30 BDEDLO COc1cncc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000290294039 352219689 /nfs/dbraw/zinc/21/96/89/352219689.db2.gz NCQVSJGRGBZKHW-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO COc1cncc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000290294039 352219691 /nfs/dbraw/zinc/21/96/91/352219691.db2.gz NCQVSJGRGBZKHW-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CCOCC ZINC000292215834 352307833 /nfs/dbraw/zinc/30/78/33/352307833.db2.gz OSLUQMACUJTLKX-GFCCVEGCSA-N 1 2 226.320 1.176 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H](O)CCOCC ZINC000292215834 352307835 /nfs/dbraw/zinc/30/78/35/352307835.db2.gz OSLUQMACUJTLKX-GFCCVEGCSA-N 1 2 226.320 1.176 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)NCCCC#N ZINC000292933802 352333346 /nfs/dbraw/zinc/33/33/46/352333346.db2.gz FJRSKKAIWPZWPQ-UHFFFAOYSA-N 1 2 248.286 1.193 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000425288478 191183212 /nfs/dbraw/zinc/18/32/12/191183212.db2.gz XVHHFDGZFHPUIH-RYUDHWBXSA-N 1 2 245.326 1.779 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](CC)C[C@@H](C)OC ZINC000383189345 352546827 /nfs/dbraw/zinc/54/68/27/352546827.db2.gz UVVLLJNWYHHLNK-NXEZZACHSA-N 1 2 215.293 1.071 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)C[C@@H](C)OC ZINC000383189345 352546829 /nfs/dbraw/zinc/54/68/29/352546829.db2.gz UVVLLJNWYHHLNK-NXEZZACHSA-N 1 2 215.293 1.071 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324461 352626873 /nfs/dbraw/zinc/62/68/73/352626873.db2.gz INLZLCBOBMRCSU-WDEREUQCSA-N 1 2 225.336 1.239 20 30 BDEDLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324461 352626876 /nfs/dbraw/zinc/62/68/76/352626876.db2.gz INLZLCBOBMRCSU-WDEREUQCSA-N 1 2 225.336 1.239 20 30 BDEDLO C=CC[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000177838310 166355973 /nfs/dbraw/zinc/35/59/73/166355973.db2.gz ANBSMXHASYNAOY-UHFFFAOYSA-N 1 2 224.333 1.155 20 30 BDEDLO C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000329290643 538108859 /nfs/dbraw/zinc/10/88/59/538108859.db2.gz QNTYYAAQQFQPNH-GFCCVEGCSA-N 1 2 237.303 1.725 20 30 BDEDLO C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000329290643 538108860 /nfs/dbraw/zinc/10/88/60/538108860.db2.gz QNTYYAAQQFQPNH-GFCCVEGCSA-N 1 2 237.303 1.725 20 30 BDEDLO CCc1nnc(C[NH2+][C@H]2CCC[C@H]2C#N)n1C ZINC000330838835 353185597 /nfs/dbraw/zinc/18/55/97/353185597.db2.gz MNOOGNCKLNJKQH-UWVGGRQHSA-N 1 2 233.319 1.159 20 30 BDEDLO Cc1cncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000330914132 353198983 /nfs/dbraw/zinc/19/89/83/353198983.db2.gz IVBCVADMHZVOMP-LBPRGKRZSA-N 1 2 249.314 1.025 20 30 BDEDLO Cc1cncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000330914132 353198985 /nfs/dbraw/zinc/19/89/85/353198985.db2.gz IVBCVADMHZVOMP-LBPRGKRZSA-N 1 2 249.314 1.025 20 30 BDEDLO COCC#CC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000308902483 538110908 /nfs/dbraw/zinc/11/09/08/538110908.db2.gz BRDZKAFMUCTDNO-QMMMGPOBSA-N 1 2 225.317 1.147 20 30 BDEDLO CC(C)(C#N)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331154430 353223259 /nfs/dbraw/zinc/22/32/59/353223259.db2.gz PFUIFAMGBAZOPY-UHFFFAOYSA-N 1 2 234.303 1.353 20 30 BDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CC#N ZINC000331195447 353228680 /nfs/dbraw/zinc/22/86/80/353228680.db2.gz UDRJZFVQESQZFG-UHFFFAOYSA-N 1 2 232.287 1.091 20 30 BDEDLO C=CCN(C)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160561751 353266677 /nfs/dbraw/zinc/26/66/77/353266677.db2.gz VAIJUHQJLRRFSL-UHFFFAOYSA-N 1 2 235.335 1.683 20 30 BDEDLO C=CCN(C)c1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160561751 353266680 /nfs/dbraw/zinc/26/66/80/353266680.db2.gz VAIJUHQJLRRFSL-UHFFFAOYSA-N 1 2 235.335 1.683 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000076185331 353331531 /nfs/dbraw/zinc/33/15/31/353331531.db2.gz PPODPPWAFKAHBW-OKILXGFUSA-N 1 2 246.354 1.344 20 30 BDEDLO C#CC[NH+](CC#C)Cc1sc(C)nc1C ZINC000076185615 353331616 /nfs/dbraw/zinc/33/16/16/353331616.db2.gz VHKIQFXKTNCHFL-UHFFFAOYSA-N 1 2 218.325 1.828 20 30 BDEDLO N#CC[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000563725090 353399979 /nfs/dbraw/zinc/39/99/79/353399979.db2.gz UHOHGLBYVFNZFY-QWRGUYRKSA-N 1 2 232.287 1.082 20 30 BDEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1=O ZINC000281817495 353453958 /nfs/dbraw/zinc/45/39/58/353453958.db2.gz JXFABKKZWMMXDQ-NSHDSACASA-N 1 2 246.314 1.008 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C)o2)C1=O ZINC000281144987 353431493 /nfs/dbraw/zinc/43/14/93/353431493.db2.gz FAJYLLBYNWMLJO-ZDUSSCGKSA-N 1 2 248.326 1.807 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)o2)C1=O ZINC000281144987 353431497 /nfs/dbraw/zinc/43/14/97/353431497.db2.gz FAJYLLBYNWMLJO-ZDUSSCGKSA-N 1 2 248.326 1.807 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192205738 353536711 /nfs/dbraw/zinc/53/67/11/353536711.db2.gz YKSRQOTVPORSIL-MRVPVSSYSA-N 1 2 207.281 1.187 20 30 BDEDLO C=CC[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192205738 353536712 /nfs/dbraw/zinc/53/67/12/353536712.db2.gz YKSRQOTVPORSIL-MRVPVSSYSA-N 1 2 207.281 1.187 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000192237539 353538253 /nfs/dbraw/zinc/53/82/53/353538253.db2.gz IMIQHEZYSCRDGV-UHFFFAOYSA-N 1 2 244.338 1.993 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000192237539 353538256 /nfs/dbraw/zinc/53/82/56/353538256.db2.gz IMIQHEZYSCRDGV-UHFFFAOYSA-N 1 2 244.338 1.993 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1ncnn1CCF ZINC000286202562 353553161 /nfs/dbraw/zinc/55/31/61/353553161.db2.gz QCKLVJVDYZWXJF-UHFFFAOYSA-N 1 2 224.283 1.091 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ncnn1CCF ZINC000286202562 353553162 /nfs/dbraw/zinc/55/31/62/353553162.db2.gz QCKLVJVDYZWXJF-UHFFFAOYSA-N 1 2 224.283 1.091 20 30 BDEDLO C=CC[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000289767276 353635085 /nfs/dbraw/zinc/63/50/85/353635085.db2.gz QQMSMNAEONXCNL-UHFFFAOYSA-N 1 2 240.328 1.806 20 30 BDEDLO C=CC[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000289767276 353635087 /nfs/dbraw/zinc/63/50/87/353635087.db2.gz QQMSMNAEONXCNL-UHFFFAOYSA-N 1 2 240.328 1.806 20 30 BDEDLO C#CC[N@@H+](Cc1cnc([C@@H](C)O)s1)C1CC1 ZINC000289807172 353636476 /nfs/dbraw/zinc/63/64/76/353636476.db2.gz SQDYWDRXCJSQIA-SECBINFHSA-N 1 2 236.340 1.794 20 30 BDEDLO C#CC[N@H+](Cc1cnc([C@@H](C)O)s1)C1CC1 ZINC000289807172 353636480 /nfs/dbraw/zinc/63/64/80/353636480.db2.gz SQDYWDRXCJSQIA-SECBINFHSA-N 1 2 236.340 1.794 20 30 BDEDLO C#CCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290918498 353675770 /nfs/dbraw/zinc/67/57/70/353675770.db2.gz JZZGZSVQNYWXPE-UHFFFAOYSA-N 1 2 231.299 1.419 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290981094 353676559 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366913841 /nfs/dbraw/zinc/91/38/41/366913841.db2.gz YYJFANDJRSDULJ-GFCCVEGCSA-N 1 2 243.314 1.627 20 30 BDEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000360963299 366935504 /nfs/dbraw/zinc/93/55/04/366935504.db2.gz AYPDMAVEONXSBU-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000360963299 366935508 /nfs/dbraw/zinc/93/55/08/366935508.db2.gz AYPDMAVEONXSBU-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO COc1cccc(C[NH2+]CC2(C#N)CC2)n1 ZINC000381352641 367385789 /nfs/dbraw/zinc/38/57/89/367385789.db2.gz CECFKCLPNRMGMT-UHFFFAOYSA-N 1 2 217.272 1.484 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000384005882 367667902 /nfs/dbraw/zinc/66/79/02/367667902.db2.gz XCXRYAICXSYUGA-UHFFFAOYSA-N 1 2 249.358 1.089 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000630923873 367961246 /nfs/dbraw/zinc/96/12/46/367961246.db2.gz ZBBFHLAXFKHSIH-UHFFFAOYSA-N 1 2 219.288 1.393 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000615637150 368130986 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326044123 /nfs/dbraw/zinc/04/41/23/326044123.db2.gz CDQRRDUEMFITOE-LLVKDONJSA-N 1 2 235.331 1.137 20 30 BDEDLO COC(C)(C)CC[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615800407 368321692 /nfs/dbraw/zinc/32/16/92/368321692.db2.gz FITJDZIASWMZAM-NSHDSACASA-N 1 2 214.284 1.739 20 30 BDEDLO COC(C)(C)CC[N@H+]1CC[C@](F)(C#N)C1 ZINC000615800407 368321697 /nfs/dbraw/zinc/32/16/97/368321697.db2.gz FITJDZIASWMZAM-NSHDSACASA-N 1 2 214.284 1.739 20 30 BDEDLO C[C@@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566630102 326070254 /nfs/dbraw/zinc/07/02/54/326070254.db2.gz YYYXSTZPTHMMAP-IUCAKERBSA-N 1 2 220.276 1.007 20 30 BDEDLO C[C@@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566630102 326070255 /nfs/dbraw/zinc/07/02/55/326070255.db2.gz YYYXSTZPTHMMAP-IUCAKERBSA-N 1 2 220.276 1.007 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000064248863 368603701 /nfs/dbraw/zinc/60/37/01/368603701.db2.gz MKJWUVUBHSZRMF-ZDUSSCGKSA-N 1 2 249.358 1.669 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000064248863 368603705 /nfs/dbraw/zinc/60/37/05/368603705.db2.gz MKJWUVUBHSZRMF-ZDUSSCGKSA-N 1 2 249.358 1.669 20 30 BDEDLO C=C(CC)CNC(=O)NCCCn1cc[nH+]c1 ZINC000457378018 203048456 /nfs/dbraw/zinc/04/84/56/203048456.db2.gz CYBPKYFPVUKTOP-UHFFFAOYSA-N 1 2 236.319 1.539 20 30 BDEDLO N#CCC[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000074086981 368829678 /nfs/dbraw/zinc/82/96/78/368829678.db2.gz DPBAJYSVMQSGGC-UHFFFAOYSA-N 1 2 243.310 1.664 20 30 BDEDLO N#CCC[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000074086981 368829682 /nfs/dbraw/zinc/82/96/82/368829682.db2.gz DPBAJYSVMQSGGC-UHFFFAOYSA-N 1 2 243.310 1.664 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000619433895 369353144 /nfs/dbraw/zinc/35/31/44/369353144.db2.gz LISLBTKGEOFIGD-NSHDSACASA-N 1 2 234.303 1.397 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000619433895 369353148 /nfs/dbraw/zinc/35/31/48/369353148.db2.gz LISLBTKGEOFIGD-NSHDSACASA-N 1 2 234.303 1.397 20 30 BDEDLO C[C@@H](CCCc1cccnc1)[NH2+]CC#N ZINC000459638030 203326657 /nfs/dbraw/zinc/32/66/57/203326657.db2.gz IXCQZOUMPMTYLW-NSHDSACASA-N 1 2 203.289 1.906 20 30 BDEDLO COC[C@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405056433 369443572 /nfs/dbraw/zinc/44/35/72/369443572.db2.gz NGYURPYMXXIRCF-JTQLQIEISA-N 1 2 216.284 1.909 20 30 BDEDLO COC[C@H](C)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405056433 369443574 /nfs/dbraw/zinc/44/35/74/369443574.db2.gz NGYURPYMXXIRCF-JTQLQIEISA-N 1 2 216.284 1.909 20 30 BDEDLO C=CCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515064 369456336 /nfs/dbraw/zinc/45/63/36/369456336.db2.gz SDUDRVRJDJPHQR-UWVGGRQHSA-N 1 2 215.268 1.538 20 30 BDEDLO C=CCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515064 369456340 /nfs/dbraw/zinc/45/63/40/369456340.db2.gz SDUDRVRJDJPHQR-UWVGGRQHSA-N 1 2 215.268 1.538 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)C(=O)OC ZINC000619703012 369535908 /nfs/dbraw/zinc/53/59/08/369535908.db2.gz CXYOTAFARLWXNM-SRVKXCTJSA-N 1 2 241.331 1.509 20 30 BDEDLO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000250415239 369523770 /nfs/dbraw/zinc/52/37/70/369523770.db2.gz OKILQBLNJCJAHZ-RYUDHWBXSA-N 1 2 235.331 1.233 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000250415239 369523771 /nfs/dbraw/zinc/52/37/71/369523771.db2.gz OKILQBLNJCJAHZ-RYUDHWBXSA-N 1 2 235.331 1.233 20 30 BDEDLO C=C[C@@H](C(=O)OC)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000619719553 369550406 /nfs/dbraw/zinc/55/04/06/369550406.db2.gz JRNHTKFYWROTNC-LBPRGKRZSA-N 1 2 249.314 1.317 20 30 BDEDLO CC(C)(CNc1cccc(C#N)n1)n1cc[nH+]c1 ZINC000601198103 369604904 /nfs/dbraw/zinc/60/49/04/369604904.db2.gz NATDXLHYOAZMOL-UHFFFAOYSA-N 1 2 241.298 1.997 20 30 BDEDLO CCC[C@@H](CCO)Nc1cc(C)[nH+]cc1C#N ZINC000601212402 369607119 /nfs/dbraw/zinc/60/71/19/369607119.db2.gz KNYLBXXKDNSOEJ-LBPRGKRZSA-N 1 2 233.315 1.647 20 30 BDEDLO CO[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899524 369861231 /nfs/dbraw/zinc/86/12/31/369861231.db2.gz PPMDWGMQXRJYBL-RISCZKNCSA-N 1 2 246.310 1.924 20 30 BDEDLO CO[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000602899524 369861234 /nfs/dbraw/zinc/86/12/34/369861234.db2.gz PPMDWGMQXRJYBL-RISCZKNCSA-N 1 2 246.310 1.924 20 30 BDEDLO C=CCN(CC=C)C(=O)CCCn1cc[nH+]c1 ZINC000620411859 369867708 /nfs/dbraw/zinc/86/77/08/369867708.db2.gz ZNONUVXDABZQNJ-UHFFFAOYSA-N 1 2 233.315 1.864 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(F)F)CC1 ZINC000307876449 370062447 /nfs/dbraw/zinc/06/24/47/370062447.db2.gz TXWSUZSFAICCQT-VIFPVBQESA-N 1 2 233.258 1.691 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C)(OCC)CC1 ZINC000309720886 370248983 /nfs/dbraw/zinc/24/89/83/370248983.db2.gz NSOQSSGWZLWFFJ-LLVKDONJSA-N 1 2 241.331 1.605 20 30 BDEDLO CCOc1cccc(C[NH2+][C@H](C)CC#N)n1 ZINC000309983276 370286421 /nfs/dbraw/zinc/28/64/21/370286421.db2.gz XEKAEPHDIAMPNK-SNVBAGLBSA-N 1 2 219.288 1.872 20 30 BDEDLO N#CCC[C@H](C#N)C[NH+]1CCSCC1 ZINC000076511654 370303538 /nfs/dbraw/zinc/30/35/38/370303538.db2.gz GSUHRUQLDNCATQ-SNVBAGLBSA-N 1 2 209.318 1.479 20 30 BDEDLO COc1ncccc1C[NH2+][C@@H](C)CC#N ZINC000037871521 371068746 /nfs/dbraw/zinc/06/87/46/371068746.db2.gz UWRJEGMZHWDMOK-VIFPVBQESA-N 1 2 205.261 1.482 20 30 BDEDLO C[C@H]([NH2+]CC1(CC#N)CC1)c1ncn(C)n1 ZINC000391956123 371353568 /nfs/dbraw/zinc/35/35/68/371353568.db2.gz DNFPYZNTCVDXOI-VIFPVBQESA-N 1 2 219.292 1.160 20 30 BDEDLO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000228283669 372012377 /nfs/dbraw/zinc/01/23/77/372012377.db2.gz VKADWHURDGHXMN-NEPJUHHUSA-N 1 2 237.347 1.383 20 30 BDEDLO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000228283669 372012382 /nfs/dbraw/zinc/01/23/82/372012382.db2.gz VKADWHURDGHXMN-NEPJUHHUSA-N 1 2 237.347 1.383 20 30 BDEDLO OC(=Cc1ccccc1O)NC1=[NH+]CCS1 ZINC000060344198 182046119 /nfs/dbraw/zinc/04/61/19/182046119.db2.gz ZETCEFVKWNRHHS-UHFFFAOYSA-N 1 2 236.296 1.154 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(C#N)n1 ZINC000081595860 383864806 /nfs/dbraw/zinc/86/48/06/383864806.db2.gz KPFHTLSJWVTVLB-SNVBAGLBSA-N 1 2 227.271 1.650 20 30 BDEDLO N#CC1CC[NH+](Cc2nccs2)CC1 ZINC000087376737 383833170 /nfs/dbraw/zinc/83/31/70/383833170.db2.gz DUDUNTFIFFVJJW-UHFFFAOYSA-N 1 2 207.302 1.879 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000298448274 383896036 /nfs/dbraw/zinc/89/60/36/383896036.db2.gz HGGITCGQMXJNTE-MRVPVSSYSA-N 1 2 242.710 1.030 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000298448274 383896045 /nfs/dbraw/zinc/89/60/45/383896045.db2.gz HGGITCGQMXJNTE-MRVPVSSYSA-N 1 2 242.710 1.030 20 30 BDEDLO C=CC[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000117022828 384130371 /nfs/dbraw/zinc/13/03/71/384130371.db2.gz FIMLWGCVXQELBI-LLVKDONJSA-N 1 2 236.319 1.537 20 30 BDEDLO CCN(CC#N)Cc1cc(OC)cc[nH+]1 ZINC000118001809 384186914 /nfs/dbraw/zinc/18/69/14/384186914.db2.gz WOSHDDHKXGYIIK-UHFFFAOYSA-N 1 2 205.261 1.436 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000093090429 384211422 /nfs/dbraw/zinc/21/14/22/384211422.db2.gz FNXNDJVZCZRZGA-VIFPVBQESA-N 1 2 206.293 1.463 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000093090429 384211427 /nfs/dbraw/zinc/21/14/27/384211427.db2.gz FNXNDJVZCZRZGA-VIFPVBQESA-N 1 2 206.293 1.463 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000073106256 384243288 /nfs/dbraw/zinc/24/32/88/384243288.db2.gz FRYYAVGUYZANSU-VIFPVBQESA-N 1 2 216.712 1.292 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000073106256 384243292 /nfs/dbraw/zinc/24/32/92/384243292.db2.gz FRYYAVGUYZANSU-VIFPVBQESA-N 1 2 216.712 1.292 20 30 BDEDLO Cn1cc(C[NH2+]Cc2ccc(C#N)s2)nn1 ZINC000336696968 384252994 /nfs/dbraw/zinc/25/29/94/384252994.db2.gz MDOVKXIRARYPAL-UHFFFAOYSA-N 1 2 233.300 1.038 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(C)nc1 ZINC000490925348 384499646 /nfs/dbraw/zinc/49/96/46/384499646.db2.gz VHYWVUFMRIMOHQ-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(C)nc1 ZINC000490925348 384499649 /nfs/dbraw/zinc/49/96/49/384499649.db2.gz VHYWVUFMRIMOHQ-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C#CCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000363882565 533068353 /nfs/dbraw/zinc/06/83/53/533068353.db2.gz MZOVKFLFAMFLKT-LBPRGKRZSA-N 1 2 226.283 1.507 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000049000830 384514537 /nfs/dbraw/zinc/51/45/37/384514537.db2.gz KGKARVJVFNEGNN-SNVBAGLBSA-N 1 2 231.299 1.377 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000049000830 384514544 /nfs/dbraw/zinc/51/45/44/384514544.db2.gz KGKARVJVFNEGNN-SNVBAGLBSA-N 1 2 231.299 1.377 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000184086548 384563254 /nfs/dbraw/zinc/56/32/54/384563254.db2.gz ARISOEVAIUZJHZ-SNVBAGLBSA-N 1 2 248.330 1.498 20 30 BDEDLO CC#CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000647540588 384674361 /nfs/dbraw/zinc/67/43/61/384674361.db2.gz QUASVMLWABOIPR-UHFFFAOYSA-N 1 2 219.288 1.145 20 30 BDEDLO C=CC(C)(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000648256801 384838376 /nfs/dbraw/zinc/83/83/76/384838376.db2.gz WGKQLGRKKKLTPY-UHFFFAOYSA-N 1 2 246.310 1.883 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C ZINC000491438934 384849048 /nfs/dbraw/zinc/84/90/48/384849048.db2.gz GXXWIBLXRWRDHH-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C ZINC000491438934 384849055 /nfs/dbraw/zinc/84/90/55/384849055.db2.gz GXXWIBLXRWRDHH-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO CCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000085260624 384929769 /nfs/dbraw/zinc/92/97/69/384929769.db2.gz RJUYXRGFNIQULQ-UHFFFAOYSA-N 1 2 238.287 1.751 20 30 BDEDLO C#CCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000302185439 384976779 /nfs/dbraw/zinc/97/67/79/384976779.db2.gz UBHKUFZNLTYIPG-UHFFFAOYSA-N 1 2 217.272 1.416 20 30 BDEDLO C#C[C@H]1COCCN1Cc1c[nH+]c2ccccn12 ZINC000491568699 385156461 /nfs/dbraw/zinc/15/64/61/385156461.db2.gz SATKDLVDVTYZJZ-LBPRGKRZSA-N 1 2 241.294 1.168 20 30 BDEDLO C#CCN(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000302786470 533113175 /nfs/dbraw/zinc/11/31/75/533113175.db2.gz WGEPCNROBYRTIN-UHFFFAOYSA-N 1 2 238.294 1.916 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000364294352 385335438 /nfs/dbraw/zinc/33/54/38/385335438.db2.gz REMAJLTZLSEIDX-GFCCVEGCSA-N 1 2 247.342 1.918 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)cc(C)nc1OC ZINC000287647164 533118746 /nfs/dbraw/zinc/11/87/46/533118746.db2.gz GLSXVELVGMMGTJ-UHFFFAOYSA-N 1 2 242.322 1.775 20 30 BDEDLO COC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444718567 385458181 /nfs/dbraw/zinc/45/81/81/385458181.db2.gz LBYHCPSKUKPMJA-WDEREUQCSA-N 1 2 226.320 1.008 20 30 BDEDLO COC[C@@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444718567 385458183 /nfs/dbraw/zinc/45/81/83/385458183.db2.gz LBYHCPSKUKPMJA-WDEREUQCSA-N 1 2 226.320 1.008 20 30 BDEDLO COCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000157200887 385490193 /nfs/dbraw/zinc/49/01/93/385490193.db2.gz KFQSSERLGQSJNQ-UHFFFAOYSA-N 1 2 243.332 1.319 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000491711189 385625116 /nfs/dbraw/zinc/62/51/16/385625116.db2.gz ZXQCSSYIJLXRQA-GFCCVEGCSA-N 1 2 240.310 1.856 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000491711189 385625119 /nfs/dbraw/zinc/62/51/19/385625119.db2.gz ZXQCSSYIJLXRQA-GFCCVEGCSA-N 1 2 240.310 1.856 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000491715701 385640128 /nfs/dbraw/zinc/64/01/28/385640128.db2.gz QNONYKMPABFZPG-STQMWFEESA-N 1 2 223.316 1.280 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000491715701 385640134 /nfs/dbraw/zinc/64/01/34/385640134.db2.gz QNONYKMPABFZPG-STQMWFEESA-N 1 2 223.316 1.280 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1nc2ccccc2n1C ZINC000070163177 385857544 /nfs/dbraw/zinc/85/75/44/385857544.db2.gz JEGOSSVXLBMCQH-JTQLQIEISA-N 1 2 228.299 1.823 20 30 BDEDLO Cc1cc(CNC(=O)[C@]2(C#N)C[C@H]2C)cc(C)[nH+]1 ZINC000335059199 385962298 /nfs/dbraw/zinc/96/22/98/385962298.db2.gz RPDQVMKGEGOUFH-OTYXRUKQSA-N 1 2 243.310 1.864 20 30 BDEDLO C=CCC1(c2nc(C[NH2+]C)no2)CCC1 ZINC000414636752 386022809 /nfs/dbraw/zinc/02/28/09/386022809.db2.gz AWRPLTVSDPJAKB-UHFFFAOYSA-N 1 2 207.277 1.787 20 30 BDEDLO C#CC[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000291733793 533156262 /nfs/dbraw/zinc/15/62/62/533156262.db2.gz XZFFVBOEWVOESR-UHFFFAOYSA-N 1 2 240.310 1.017 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000347030995 386223706 /nfs/dbraw/zinc/22/37/06/386223706.db2.gz DCXDFSIJZGRPCD-SECBINFHSA-N 1 2 232.287 1.275 20 30 BDEDLO C=CCC(CC=C)C(=O)NCc1[nH]cc[nH+]1 ZINC000132724561 386239229 /nfs/dbraw/zinc/23/92/29/386239229.db2.gz CZWHDQDVOHFPOF-UHFFFAOYSA-N 1 2 219.288 1.794 20 30 BDEDLO C=CCOCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000339129307 386253492 /nfs/dbraw/zinc/25/34/92/386253492.db2.gz UCDOFNOCXPJDHW-GHMZBOCLSA-N 1 2 231.361 1.030 20 30 BDEDLO Cc1cc(N2CC[C@H](O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000398977252 386282079 /nfs/dbraw/zinc/28/20/79/386282079.db2.gz ZJKUDNSQNKHRSC-ZANVPECISA-N 1 2 231.299 1.469 20 30 BDEDLO CCC(=O)N1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000425523510 386323851 /nfs/dbraw/zinc/32/38/51/386323851.db2.gz ZCZZVCZDHTUOPQ-UHFFFAOYSA-N 1 2 237.347 1.828 20 30 BDEDLO CCC(=O)N1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000425523510 386323860 /nfs/dbraw/zinc/32/38/60/386323860.db2.gz ZCZZVCZDHTUOPQ-UHFFFAOYSA-N 1 2 237.347 1.828 20 30 BDEDLO C=CCN(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000280111274 386333985 /nfs/dbraw/zinc/33/39/85/386333985.db2.gz AUJPRXPPHHDCHO-UHFFFAOYSA-N 1 2 233.315 1.530 20 30 BDEDLO C[N@H+](CCCCC(C)(C)C#N)Cc1nnc[nH]1 ZINC000277634060 386452686 /nfs/dbraw/zinc/45/26/86/386452686.db2.gz HAPFFFCTCCGJSI-UHFFFAOYSA-N 1 2 235.335 1.957 20 30 BDEDLO C[N@@H+](CCCCC(C)(C)C#N)Cc1nnc[nH]1 ZINC000277634060 386452694 /nfs/dbraw/zinc/45/26/94/386452694.db2.gz HAPFFFCTCCGJSI-UHFFFAOYSA-N 1 2 235.335 1.957 20 30 BDEDLO Cc1cc(N2C[C@@H](C)[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000399003271 386504889 /nfs/dbraw/zinc/50/48/89/386504889.db2.gz UWJNVTRQMPGKSS-PELKAZGASA-N 1 2 217.272 1.079 20 30 BDEDLO Cc1cc(N2C[C@H](O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399003274 386505055 /nfs/dbraw/zinc/50/50/55/386505055.db2.gz UWJNVTRQMPGKSS-UFBFGSQYSA-N 1 2 217.272 1.079 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000408413850 386550632 /nfs/dbraw/zinc/55/06/32/386550632.db2.gz FFFJIPDXMCCHMX-GHMZBOCLSA-N 1 2 246.314 1.206 20 30 BDEDLO C#CCSCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119814113 386645037 /nfs/dbraw/zinc/64/50/37/386645037.db2.gz UFUJZLHTTDKWOY-UHFFFAOYSA-N 1 2 249.339 1.878 20 30 BDEDLO CC#CC[N@H+](C)Cc1cn2ccccc2n1 ZINC000292998431 386647927 /nfs/dbraw/zinc/64/79/27/386647927.db2.gz CRSZYHMZTSWIFJ-UHFFFAOYSA-N 1 2 213.284 1.789 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cn2ccccc2n1 ZINC000292998431 386647931 /nfs/dbraw/zinc/64/79/31/386647931.db2.gz CRSZYHMZTSWIFJ-UHFFFAOYSA-N 1 2 213.284 1.789 20 30 BDEDLO C=CCn1cc(C[NH2+]CC2(F)CC2)nn1 ZINC000520217452 386602004 /nfs/dbraw/zinc/60/20/04/386602004.db2.gz KQQVEUKIEPQIOZ-UHFFFAOYSA-N 1 2 210.256 1.056 20 30 BDEDLO O=C(NC[C@H](O)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328638652 386604936 /nfs/dbraw/zinc/60/49/36/386604936.db2.gz BQPLEEUDHZZNEQ-MNOVXSKESA-N 1 2 249.314 1.173 20 30 BDEDLO Cc1cc(N[C@H](C)CC(C)(C)O)c(C#N)c[nH+]1 ZINC000399061124 386672627 /nfs/dbraw/zinc/67/26/27/386672627.db2.gz LNQOKGDVRRLCEZ-SNVBAGLBSA-N 1 2 233.315 1.645 20 30 BDEDLO C=CC1CC[NH+](Cc2csnn2)CC1 ZINC000124998319 386750334 /nfs/dbraw/zinc/75/03/34/386750334.db2.gz HMIOTTAKGVKREO-UHFFFAOYSA-N 1 2 209.318 1.936 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000279976299 386763867 /nfs/dbraw/zinc/76/38/67/386763867.db2.gz QKTUQGXFXUJMMZ-SNVBAGLBSA-N 1 2 234.303 1.397 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000279976299 386763873 /nfs/dbraw/zinc/76/38/73/386763873.db2.gz QKTUQGXFXUJMMZ-SNVBAGLBSA-N 1 2 234.303 1.397 20 30 BDEDLO CC(C)[C@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000330797330 386891023 /nfs/dbraw/zinc/89/10/23/386891023.db2.gz ARCIMWWXDGVTLV-SNVBAGLBSA-N 1 2 238.335 1.716 20 30 BDEDLO COC[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399505825 386912349 /nfs/dbraw/zinc/91/23/49/386912349.db2.gz JYTCOLNAIBAFOO-LLVKDONJSA-N 1 2 231.299 1.734 20 30 BDEDLO CC1(C#N)C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000334893675 386967418 /nfs/dbraw/zinc/96/74/18/386967418.db2.gz SDAGXIVOLKQAFT-LBPRGKRZSA-N 1 2 222.332 1.773 20 30 BDEDLO CO[C@](C)(CNc1cc(C)[nH+]cc1C#N)C1CC1 ZINC000399538253 386970500 /nfs/dbraw/zinc/97/05/00/386970500.db2.gz XNZNYNXPAGEWNG-CQSZACIVSA-N 1 2 245.326 1.911 20 30 BDEDLO Cc1cc(N[C@H]2CC2(C)C)c(C#N)c[nH+]1 ZINC000399536518 386972301 /nfs/dbraw/zinc/97/23/01/386972301.db2.gz UTHOCBQZUGHCOG-NSHDSACASA-N 1 2 201.273 1.894 20 30 BDEDLO CCn1c[nH+]cc1CN1CC(C)(C#N)C1 ZINC000334953265 387031098 /nfs/dbraw/zinc/03/10/98/387031098.db2.gz SSESAXMFQBJLLE-UHFFFAOYSA-N 1 2 204.277 1.248 20 30 BDEDLO CO[C@H](C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000399419980 387089517 /nfs/dbraw/zinc/08/95/17/387089517.db2.gz FESYRCKTZPLRGT-SNVBAGLBSA-N 1 2 219.288 1.733 20 30 BDEDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C)C#N)[nH+]1 ZINC000515305927 387361996 /nfs/dbraw/zinc/36/19/96/387361996.db2.gz MBWQFSQPVYMXHC-SSDOTTSWSA-N 1 2 220.276 1.229 20 30 BDEDLO CC#CCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000270632161 387435189 /nfs/dbraw/zinc/43/51/89/387435189.db2.gz FWRYNBRFYJTJJM-UHFFFAOYSA-N 1 2 246.314 1.042 20 30 BDEDLO C=CC[C@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000273213389 387456406 /nfs/dbraw/zinc/45/64/06/387456406.db2.gz GYTKZUHLSDAFNE-LLVKDONJSA-N 1 2 248.330 1.647 20 30 BDEDLO C=CC[C@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000273213389 387456409 /nfs/dbraw/zinc/45/64/09/387456409.db2.gz GYTKZUHLSDAFNE-LLVKDONJSA-N 1 2 248.330 1.647 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423627495 387389932 /nfs/dbraw/zinc/38/99/32/387389932.db2.gz IKLQMLKOKMYKKY-NSHDSACASA-N 1 2 240.253 1.609 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC=CCC1 ZINC000515575893 387398895 /nfs/dbraw/zinc/39/88/95/387398895.db2.gz XQGPXRNSYCAQRJ-WCQYABFASA-N 1 2 235.331 1.303 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)nc1 ZINC000085824122 387503427 /nfs/dbraw/zinc/50/34/27/387503427.db2.gz GNMHSJBLJKUJFZ-UHFFFAOYSA-N 1 2 214.268 1.159 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(F)nc1C ZINC000278514041 387543326 /nfs/dbraw/zinc/54/33/26/387543326.db2.gz XDJALTNKIWMZIE-UHFFFAOYSA-N 1 2 216.259 1.598 20 30 BDEDLO C#CC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000276246798 387522463 /nfs/dbraw/zinc/52/24/63/387522463.db2.gz VOMUDIAAUJJJCX-SNVBAGLBSA-N 1 2 205.261 1.538 20 30 BDEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000276246798 387522468 /nfs/dbraw/zinc/52/24/68/387522468.db2.gz VOMUDIAAUJJJCX-SNVBAGLBSA-N 1 2 205.261 1.538 20 30 BDEDLO C#CCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000277182312 387530530 /nfs/dbraw/zinc/53/05/30/387530530.db2.gz TYMSASMPSPBMSZ-UHFFFAOYSA-N 1 2 241.294 1.754 20 30 BDEDLO C#CCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000277194797 387530809 /nfs/dbraw/zinc/53/08/09/387530809.db2.gz WGTVNJGXSKJBGD-GFCCVEGCSA-N 1 2 233.315 1.439 20 30 BDEDLO CC(C)n1cncc1C[NH2+]C[C@H](C)C#N ZINC000085188271 387478774 /nfs/dbraw/zinc/47/87/74/387478774.db2.gz NWNFBUMBWXQUOS-SNVBAGLBSA-N 1 2 206.293 1.713 20 30 BDEDLO CC(C)n1c[nH+]cc1CNC[C@H](C)C#N ZINC000085188271 387478780 /nfs/dbraw/zinc/47/87/80/387478780.db2.gz NWNFBUMBWXQUOS-SNVBAGLBSA-N 1 2 206.293 1.713 20 30 BDEDLO C=C(C)C[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426203192 387549290 /nfs/dbraw/zinc/54/92/90/387549290.db2.gz YNORILCQMHBZJU-GFCCVEGCSA-N 1 2 224.348 1.751 20 30 BDEDLO C=C(C)C[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426203192 387549296 /nfs/dbraw/zinc/54/92/96/387549296.db2.gz YNORILCQMHBZJU-GFCCVEGCSA-N 1 2 224.348 1.751 20 30 BDEDLO C=CCCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278331541 387550659 /nfs/dbraw/zinc/55/06/59/387550659.db2.gz IJGWIVLIYGRGFJ-UHFFFAOYSA-N 1 2 246.318 1.714 20 30 BDEDLO CC#CCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422192815 387579506 /nfs/dbraw/zinc/57/95/06/387579506.db2.gz ZLPJDSJILBXFDW-UHFFFAOYSA-N 1 2 245.326 1.911 20 30 BDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(C)(C)CC ZINC000042454423 387628026 /nfs/dbraw/zinc/62/80/26/387628026.db2.gz GZUBKEZEGPCRON-NSHDSACASA-N 1 2 239.363 1.915 20 30 BDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(C)(C)CC ZINC000042454423 387628030 /nfs/dbraw/zinc/62/80/30/387628030.db2.gz GZUBKEZEGPCRON-NSHDSACASA-N 1 2 239.363 1.915 20 30 BDEDLO C=CC(C)(C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000528074680 387836069 /nfs/dbraw/zinc/83/60/69/387836069.db2.gz MWDXFNHQTXIRIR-UHFFFAOYSA-N 1 2 249.362 1.682 20 30 BDEDLO C=CC(C)(C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000528074680 387836074 /nfs/dbraw/zinc/83/60/74/387836074.db2.gz MWDXFNHQTXIRIR-UHFFFAOYSA-N 1 2 249.362 1.682 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000172720670 387873552 /nfs/dbraw/zinc/87/35/52/387873552.db2.gz BUXXUYXAANHQFA-UHFFFAOYSA-N 1 2 216.284 1.580 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000172720670 387873554 /nfs/dbraw/zinc/87/35/54/387873554.db2.gz BUXXUYXAANHQFA-UHFFFAOYSA-N 1 2 216.284 1.580 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccccn2)nn1 ZINC000424175926 387884179 /nfs/dbraw/zinc/88/41/79/387884179.db2.gz WBLBFGLFROXYFY-UHFFFAOYSA-N 1 2 229.287 1.149 20 30 BDEDLO C=CC[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000444679932 387907986 /nfs/dbraw/zinc/90/79/86/387907986.db2.gz NTAUNQQZZONXHZ-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO C=CC[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000444679932 387907991 /nfs/dbraw/zinc/90/79/91/387907991.db2.gz NTAUNQQZZONXHZ-UHFFFAOYSA-N 1 2 228.299 1.885 20 30 BDEDLO C=C(CC)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000454334199 388114511 /nfs/dbraw/zinc/11/45/11/388114511.db2.gz DOCCIHNVNBNMOC-LLVKDONJSA-N 1 2 236.319 1.537 20 30 BDEDLO CC[N@H+](CC(=O)N(C)C)Cc1ccccc1C#N ZINC000042337928 388086815 /nfs/dbraw/zinc/08/68/15/388086815.db2.gz MLPDXGGJUOARDQ-UHFFFAOYSA-N 1 2 245.326 1.468 20 30 BDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccccc1C#N ZINC000042337928 388086817 /nfs/dbraw/zinc/08/68/17/388086817.db2.gz MLPDXGGJUOARDQ-UHFFFAOYSA-N 1 2 245.326 1.468 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)C1CC1 ZINC000589516173 388113867 /nfs/dbraw/zinc/11/38/67/388113867.db2.gz LGDFZHZARMDGHN-JTQLQIEISA-N 1 2 237.328 1.217 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)C1CC1 ZINC000589516173 388113870 /nfs/dbraw/zinc/11/38/70/388113870.db2.gz LGDFZHZARMDGHN-JTQLQIEISA-N 1 2 237.328 1.217 20 30 BDEDLO C=C[C@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455534432 388162968 /nfs/dbraw/zinc/16/29/68/388162968.db2.gz UVSAMNSTDWRJAE-LLVKDONJSA-N 1 2 249.314 1.675 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1c(C)nnn1CC ZINC000449280567 388166414 /nfs/dbraw/zinc/16/64/14/388166414.db2.gz AJTVIISBBZLBPY-UHFFFAOYSA-N 1 2 238.335 1.241 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1c(C)nnn1CC ZINC000449280567 388166416 /nfs/dbraw/zinc/16/64/16/388166416.db2.gz AJTVIISBBZLBPY-UHFFFAOYSA-N 1 2 238.335 1.241 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454654131 388128502 /nfs/dbraw/zinc/12/85/02/388128502.db2.gz BGMAUQOYSRWHLM-NXEZZACHSA-N 1 2 236.319 1.838 20 30 BDEDLO C=C(C)CCNC(=O)NCCNc1cccc[nH+]1 ZINC000455304010 388155257 /nfs/dbraw/zinc/15/52/57/388155257.db2.gz BFCWWZJMAXDUAE-UHFFFAOYSA-N 1 2 248.330 1.759 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OCC ZINC000449654723 388248725 /nfs/dbraw/zinc/24/87/25/388248725.db2.gz FLEWJMUVZFSABK-NWDGAFQWSA-N 1 2 241.331 1.653 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)CCc1c[nH+]cn1C ZINC000490713564 388248854 /nfs/dbraw/zinc/24/88/54/388248854.db2.gz KVFDPKDAMDEDAS-NSHDSACASA-N 1 2 233.315 1.271 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000449659293 388249610 /nfs/dbraw/zinc/24/96/10/388249610.db2.gz VQSDVQOOUPJRMD-WDEREUQCSA-N 1 2 243.372 1.979 20 30 BDEDLO C#CC[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000490715185 388249885 /nfs/dbraw/zinc/24/98/85/388249885.db2.gz UWZQKZMCGSBUGG-UHFFFAOYSA-N 1 2 235.356 1.461 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cncc(C)c1 ZINC000490738521 388251116 /nfs/dbraw/zinc/25/11/16/388251116.db2.gz ASKJJIVAIZIBES-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cncc(C)c1 ZINC000490738521 388251119 /nfs/dbraw/zinc/25/11/19/388251119.db2.gz ASKJJIVAIZIBES-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CCN(CC#CC)Cc1cn2ccccc2[nH+]1 ZINC000490838972 388256247 /nfs/dbraw/zinc/25/62/47/388256247.db2.gz FSLAVJCUVNCYAV-UHFFFAOYSA-N 1 2 237.306 1.793 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnnn1C1CC1 ZINC000489502619 388220119 /nfs/dbraw/zinc/22/01/19/388220119.db2.gz WUBOGURULBNGOO-JTQLQIEISA-N 1 2 233.319 1.549 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnnn1C1CC1 ZINC000489502619 388220120 /nfs/dbraw/zinc/22/01/20/388220120.db2.gz WUBOGURULBNGOO-JTQLQIEISA-N 1 2 233.319 1.549 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000491285311 388281750 /nfs/dbraw/zinc/28/17/50/388281750.db2.gz CFGRPZWCMOWENJ-TZMCWYRMSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000491285311 388281751 /nfs/dbraw/zinc/28/17/51/388281751.db2.gz CFGRPZWCMOWENJ-TZMCWYRMSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(CO)cc1 ZINC000491375050 388289563 /nfs/dbraw/zinc/28/95/63/388289563.db2.gz UCBDRVQHJCZIJN-CQSZACIVSA-N 1 2 231.295 1.013 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000491375050 388289565 /nfs/dbraw/zinc/28/95/65/388289565.db2.gz UCBDRVQHJCZIJN-CQSZACIVSA-N 1 2 231.295 1.013 20 30 BDEDLO C#C[C@@H]1COCCN1c1cc(C)[nH+]c(CC)n1 ZINC000491382097 388290272 /nfs/dbraw/zinc/29/02/72/388290272.db2.gz HOQSLROZSZAPTG-LLVKDONJSA-N 1 2 231.299 1.186 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000491381419 388290415 /nfs/dbraw/zinc/29/04/15/388290415.db2.gz DXDSAVYXLDBVRS-DGCLKSJQSA-N 1 2 245.326 1.220 20 30 BDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000491381421 388290584 /nfs/dbraw/zinc/29/05/84/388290584.db2.gz DXDSAVYXLDBVRS-YPMHNXCESA-N 1 2 245.326 1.220 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)CCC(C)C ZINC000491515269 388300348 /nfs/dbraw/zinc/30/03/48/388300348.db2.gz MSTMHNHEMOCDOW-QWHCGFSZSA-N 1 2 225.332 1.118 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)CCC(C)C ZINC000491515269 388300350 /nfs/dbraw/zinc/30/03/50/388300350.db2.gz MSTMHNHEMOCDOW-QWHCGFSZSA-N 1 2 225.332 1.118 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C#N)cn1 ZINC000491523300 388300880 /nfs/dbraw/zinc/30/08/80/388300880.db2.gz CYTOOZGQBPYGJR-UHFFFAOYSA-N 1 2 223.279 1.412 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C#N)cn1 ZINC000491523300 388300881 /nfs/dbraw/zinc/30/08/81/388300881.db2.gz CYTOOZGQBPYGJR-UHFFFAOYSA-N 1 2 223.279 1.412 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000491525346 388301410 /nfs/dbraw/zinc/30/14/10/388301410.db2.gz RTOLORYMGVBVSF-UHFFFAOYSA-N 1 2 230.271 1.032 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000491525346 388301412 /nfs/dbraw/zinc/30/14/12/388301412.db2.gz RTOLORYMGVBVSF-UHFFFAOYSA-N 1 2 230.271 1.032 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccs1 ZINC000491657988 388308928 /nfs/dbraw/zinc/30/89/28/388308928.db2.gz AMCBNVOYGJDRAO-SNVBAGLBSA-N 1 2 207.298 1.582 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccs1 ZINC000491657988 388308929 /nfs/dbraw/zinc/30/89/29/388308929.db2.gz AMCBNVOYGJDRAO-SNVBAGLBSA-N 1 2 207.298 1.582 20 30 BDEDLO C#CC[N@@H+](CC)Cc1ccn(CC(F)(F)F)n1 ZINC000491660022 388309057 /nfs/dbraw/zinc/30/90/57/388309057.db2.gz MCXZFSFDFLFDFK-UHFFFAOYSA-N 1 2 245.248 1.901 20 30 BDEDLO C#CC[N@H+](CC)Cc1ccn(CC(F)(F)F)n1 ZINC000491660022 388309058 /nfs/dbraw/zinc/30/90/58/388309058.db2.gz MCXZFSFDFLFDFK-UHFFFAOYSA-N 1 2 245.248 1.901 20 30 BDEDLO C#CC[N@@H+](Cc1snnc1C)C1CC1 ZINC000491662831 388309229 /nfs/dbraw/zinc/30/92/29/388309229.db2.gz HQLYMJQNEIVRAW-UHFFFAOYSA-N 1 2 207.302 1.444 20 30 BDEDLO C#CC[N@H+](Cc1snnc1C)C1CC1 ZINC000491662831 388309230 /nfs/dbraw/zinc/30/92/30/388309230.db2.gz HQLYMJQNEIVRAW-UHFFFAOYSA-N 1 2 207.302 1.444 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000491679040 388310539 /nfs/dbraw/zinc/31/05/39/388310539.db2.gz WEOQWVMGRZPKBS-VIFPVBQESA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000491679040 388310540 /nfs/dbraw/zinc/31/05/40/388310540.db2.gz WEOQWVMGRZPKBS-VIFPVBQESA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000491694468 388311883 /nfs/dbraw/zinc/31/18/83/388311883.db2.gz LGAJPIKFWDBYPC-NSHDSACASA-N 1 2 216.284 1.579 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000491694468 388311884 /nfs/dbraw/zinc/31/18/84/388311884.db2.gz LGAJPIKFWDBYPC-NSHDSACASA-N 1 2 216.284 1.579 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000491711838 388313688 /nfs/dbraw/zinc/31/36/88/388313688.db2.gz WUEJTVVYZHAKRU-SDDRHHMPSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000491711838 388313689 /nfs/dbraw/zinc/31/36/89/388313689.db2.gz WUEJTVVYZHAKRU-SDDRHHMPSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ncc(C)cc1C ZINC000491719396 388314645 /nfs/dbraw/zinc/31/46/45/388314645.db2.gz ZTFYXJWLYOUECA-CQSZACIVSA-N 1 2 244.338 1.575 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ncc(C)cc1C ZINC000491719396 388314646 /nfs/dbraw/zinc/31/46/46/388314646.db2.gz ZTFYXJWLYOUECA-CQSZACIVSA-N 1 2 244.338 1.575 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000491736175 388316514 /nfs/dbraw/zinc/31/65/14/388316514.db2.gz QUHVJVHSHQUFPU-VIFPVBQESA-N 1 2 244.298 1.420 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000491736175 388316515 /nfs/dbraw/zinc/31/65/15/388316515.db2.gz QUHVJVHSHQUFPU-VIFPVBQESA-N 1 2 244.298 1.420 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491739728 388316686 /nfs/dbraw/zinc/31/66/86/388316686.db2.gz SKWFEWKUEQKONQ-WDEREUQCSA-N 1 2 219.288 1.314 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000491741683 388316877 /nfs/dbraw/zinc/31/68/77/388316877.db2.gz UUVRVWQWHGXNQO-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000491741683 388316878 /nfs/dbraw/zinc/31/68/78/388316878.db2.gz UUVRVWQWHGXNQO-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000491751028 388317833 /nfs/dbraw/zinc/31/78/33/388317833.db2.gz JKSDSVJJQJBBSE-MRVPVSSYSA-N 1 2 231.221 1.813 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000491751028 388317834 /nfs/dbraw/zinc/31/78/34/388317834.db2.gz JKSDSVJJQJBBSE-MRVPVSSYSA-N 1 2 231.221 1.813 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc(OC)cc1 ZINC000491752718 388317995 /nfs/dbraw/zinc/31/79/95/388317995.db2.gz WXCAAVFBZVSGIX-AWEZNQCLSA-N 1 2 245.322 1.572 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc(OC)cc1 ZINC000491752718 388317996 /nfs/dbraw/zinc/31/79/96/388317996.db2.gz WXCAAVFBZVSGIX-AWEZNQCLSA-N 1 2 245.322 1.572 20 30 BDEDLO C#C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(C)(C)C ZINC000491630608 256604572 /nfs/dbraw/zinc/60/45/72/256604572.db2.gz NCCVFHCGFCUSJY-SNVBAGLBSA-N 1 2 247.342 1.851 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCOc1ccccc1 ZINC000491772743 388319457 /nfs/dbraw/zinc/31/94/57/388319457.db2.gz AHZCBWQTTHQDQV-CQSZACIVSA-N 1 2 245.322 1.790 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCOc1ccccc1 ZINC000491772743 388319458 /nfs/dbraw/zinc/31/94/58/388319458.db2.gz AHZCBWQTTHQDQV-CQSZACIVSA-N 1 2 245.322 1.790 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(CC)[nH+]c(C)n1 ZINC000491785154 388320990 /nfs/dbraw/zinc/32/09/90/388320990.db2.gz SDHJYPLKHXMOLI-SECBINFHSA-N 1 2 203.289 1.805 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C=C)c1 ZINC000491805887 388321709 /nfs/dbraw/zinc/32/17/09/388321709.db2.gz PRTQGVGBYSJVGG-UHFFFAOYSA-N 1 2 213.284 1.442 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn(C=C)c1 ZINC000491805887 388321710 /nfs/dbraw/zinc/32/17/10/388321710.db2.gz PRTQGVGBYSJVGG-UHFFFAOYSA-N 1 2 213.284 1.442 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(F)ncc1F ZINC000491806903 388322178 /nfs/dbraw/zinc/32/21/78/388322178.db2.gz RVMIAFZIOXMDEU-QMMMGPOBSA-N 1 2 210.227 1.813 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(F)ncc1F ZINC000491806903 388322179 /nfs/dbraw/zinc/32/21/79/388322179.db2.gz RVMIAFZIOXMDEU-QMMMGPOBSA-N 1 2 210.227 1.813 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(CF)cc1 ZINC000491809603 388322352 /nfs/dbraw/zinc/32/23/52/388322352.db2.gz XWKHBPZDQZJDHT-CQSZACIVSA-N 1 2 233.286 1.990 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000491809603 388322353 /nfs/dbraw/zinc/32/23/53/388322353.db2.gz XWKHBPZDQZJDHT-CQSZACIVSA-N 1 2 233.286 1.990 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOCCCC ZINC000491809382 388322434 /nfs/dbraw/zinc/32/24/34/388322434.db2.gz XYRVBHSJRFHNJW-GFCCVEGCSA-N 1 2 211.305 1.137 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOCCCC ZINC000491809382 388322435 /nfs/dbraw/zinc/32/24/35/388322435.db2.gz XYRVBHSJRFHNJW-GFCCVEGCSA-N 1 2 211.305 1.137 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCCC1(F)F ZINC000491809952 388322744 /nfs/dbraw/zinc/32/27/44/388322744.db2.gz HEUBHMXPOITYCH-MNOVXSKESA-N 1 2 229.270 1.756 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCCC1(F)F ZINC000491809952 388322745 /nfs/dbraw/zinc/32/27/45/388322745.db2.gz HEUBHMXPOITYCH-MNOVXSKESA-N 1 2 229.270 1.756 20 30 BDEDLO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000491164774 388273721 /nfs/dbraw/zinc/27/37/21/388273721.db2.gz FPNKEWOURBNWIU-SNVBAGLBSA-N 1 2 244.285 1.103 20 30 BDEDLO C#CCNC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000491164774 388273722 /nfs/dbraw/zinc/27/37/22/388273722.db2.gz FPNKEWOURBNWIU-SNVBAGLBSA-N 1 2 244.285 1.103 20 30 BDEDLO COC1CN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000459572976 388364072 /nfs/dbraw/zinc/36/40/72/388364072.db2.gz BQTSPBZZDUNHGS-UHFFFAOYSA-N 1 2 242.282 1.037 20 30 BDEDLO C[C@@H](C[N@H+](C)CCC#N)NC(=O)OC(C)(C)C ZINC000492258707 388339585 /nfs/dbraw/zinc/33/95/85/388339585.db2.gz NCJFJZJWQCIWDI-JTQLQIEISA-N 1 2 241.335 1.745 20 30 BDEDLO C[C@@H](C[N@@H+](C)CCC#N)NC(=O)OC(C)(C)C ZINC000492258707 388339586 /nfs/dbraw/zinc/33/95/86/388339586.db2.gz NCJFJZJWQCIWDI-JTQLQIEISA-N 1 2 241.335 1.745 20 30 BDEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000336336056 388456545 /nfs/dbraw/zinc/45/65/45/388456545.db2.gz QHVYXRBFWPYWJP-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336336056 388456547 /nfs/dbraw/zinc/45/65/47/388456547.db2.gz QHVYXRBFWPYWJP-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO C=CCN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000548609180 388548319 /nfs/dbraw/zinc/54/83/19/388548319.db2.gz LTFPKGHOXSXJQB-UHFFFAOYSA-N 1 2 236.319 1.491 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NCC1(CC#N)CC1 ZINC000549704201 388588195 /nfs/dbraw/zinc/58/81/95/388588195.db2.gz LXJKHBARVVGXSL-UHFFFAOYSA-N 1 2 246.314 1.163 20 30 BDEDLO Cn1nccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000355288030 388603413 /nfs/dbraw/zinc/60/34/13/388603413.db2.gz WSIJCDIFNZEYNL-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO Cn1nccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000355288030 388603416 /nfs/dbraw/zinc/60/34/16/388603416.db2.gz WSIJCDIFNZEYNL-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000170928686 388575581 /nfs/dbraw/zinc/57/55/81/388575581.db2.gz QAFZFEKPFXZBSL-MRVPVSSYSA-N 1 2 247.136 1.105 20 30 BDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000170928686 388575584 /nfs/dbraw/zinc/57/55/84/388575584.db2.gz QAFZFEKPFXZBSL-MRVPVSSYSA-N 1 2 247.136 1.105 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2ncncc2C#N)c2[nH+]ccn21 ZINC000520222968 388668171 /nfs/dbraw/zinc/66/81/71/388668171.db2.gz IEWGPCLJKRJSTA-PSASIEDQSA-N 1 2 240.270 1.085 20 30 BDEDLO Cc1cc[nH+]cc1Cn1cnc(C#N)c1C#N ZINC000361781160 388638363 /nfs/dbraw/zinc/63/83/63/388638363.db2.gz KZEADGHUQARRIX-UHFFFAOYSA-N 1 2 223.239 1.378 20 30 BDEDLO Cc1cc(NC[C@H](CO)C2CC2)c(C#N)c[nH+]1 ZINC000425269736 388701683 /nfs/dbraw/zinc/70/16/83/388701683.db2.gz RNZKPOYVQYEHKJ-GFCCVEGCSA-N 1 2 231.299 1.114 20 30 BDEDLO Cc1cc(NC[C@@H](CO)C2CC2)c(C#N)c[nH+]1 ZINC000425269737 388701769 /nfs/dbraw/zinc/70/17/69/388701769.db2.gz RNZKPOYVQYEHKJ-LBPRGKRZSA-N 1 2 231.299 1.114 20 30 BDEDLO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000091985788 388732366 /nfs/dbraw/zinc/73/23/66/388732366.db2.gz YSEHSPLYAXAXMH-VIFPVBQESA-N 1 2 236.271 1.392 20 30 BDEDLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000091985788 388732369 /nfs/dbraw/zinc/73/23/69/388732369.db2.gz YSEHSPLYAXAXMH-VIFPVBQESA-N 1 2 236.271 1.392 20 30 BDEDLO N#Cc1ccc2[nH+]cc(CN3CC(F)C3)n2c1 ZINC000335151512 388828429 /nfs/dbraw/zinc/82/84/29/388828429.db2.gz ZVWNVKGGIDYSHA-UHFFFAOYSA-N 1 2 230.246 1.360 20 30 BDEDLO C[N@H+](Cc1nnc2n1CCC2)[C@H]1CC[C@@H](C#N)C1 ZINC000555380244 388848750 /nfs/dbraw/zinc/84/87/50/388848750.db2.gz NVCAEXQDDLUZIZ-MNOVXSKESA-N 1 2 245.330 1.348 20 30 BDEDLO C[N@@H+](Cc1nnc2n1CCC2)[C@H]1CC[C@@H](C#N)C1 ZINC000555380244 388848752 /nfs/dbraw/zinc/84/87/52/388848752.db2.gz NVCAEXQDDLUZIZ-MNOVXSKESA-N 1 2 245.330 1.348 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565182468 388922337 /nfs/dbraw/zinc/92/23/37/388922337.db2.gz PUPBONZGIBQKPY-SKDRFNHKSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565182468 388922339 /nfs/dbraw/zinc/92/23/39/388922339.db2.gz PUPBONZGIBQKPY-SKDRFNHKSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ncccc1O ZINC000565860280 388973967 /nfs/dbraw/zinc/97/39/67/388973967.db2.gz OKEYUOPINCKCPY-UHFFFAOYSA-N 1 2 205.261 1.523 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ncccc1O ZINC000565860280 388973964 /nfs/dbraw/zinc/97/39/64/388973964.db2.gz OKEYUOPINCKCPY-UHFFFAOYSA-N 1 2 205.261 1.523 20 30 BDEDLO C#CCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270268293 389011367 /nfs/dbraw/zinc/01/13/67/389011367.db2.gz ZQPQBKXQYIUJGJ-UHFFFAOYSA-N 1 2 216.288 1.734 20 30 BDEDLO C#CCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270268293 389011372 /nfs/dbraw/zinc/01/13/72/389011372.db2.gz ZQPQBKXQYIUJGJ-UHFFFAOYSA-N 1 2 216.288 1.734 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493463117 533390912 /nfs/dbraw/zinc/39/09/12/533390912.db2.gz ZEOORENLDNGJJG-NWALNABHSA-N 1 2 218.260 1.183 20 30 BDEDLO N#Cc1ncccc1N1CCn2c[nH+]cc2C1 ZINC000290615175 132216989 /nfs/dbraw/zinc/21/69/89/132216989.db2.gz FWIYNGBCOZODIN-UHFFFAOYSA-N 1 2 225.255 1.170 20 30 BDEDLO N#Cc1ccc(N2CCn3c[nH+]cc3C2)cc1 ZINC000336235110 132245542 /nfs/dbraw/zinc/24/55/42/132245542.db2.gz CVYQCPVYIYIQDC-UHFFFAOYSA-N 1 2 224.267 1.775 20 30 BDEDLO Cc1[nH]c(C(=O)NCc2ccc(C#N)cc2)c[nH+]1 ZINC000335930149 134010291 /nfs/dbraw/zinc/01/02/91/134010291.db2.gz LAWSWCZPLOGYOY-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO N#Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000336099720 134081444 /nfs/dbraw/zinc/08/14/44/134081444.db2.gz WIPSFCKDFGFPDQ-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO Cn1ccnc1C[NH+]1CCC(C)(C#N)CC1 ZINC000336150695 134104086 /nfs/dbraw/zinc/10/40/86/134104086.db2.gz GSCSCCGQHDDAQD-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO CC#CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336162280 134111602 /nfs/dbraw/zinc/11/16/02/134111602.db2.gz NKYKOVDQNXQVGC-UHFFFAOYSA-N 1 2 228.255 1.479 20 30 BDEDLO C=C1CC[NH+](C[C@H](C)S(C)(=O)=O)CC1 ZINC000336189042 134122503 /nfs/dbraw/zinc/12/25/03/134122503.db2.gz XMYYITSXRKQWEA-JTQLQIEISA-N 1 2 217.334 1.072 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC[C@H]2C2CC2)CCC1 ZINC000336196876 134126624 /nfs/dbraw/zinc/12/66/24/134126624.db2.gz CRPKUYNRTXLXRB-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@H]2C2CC2)CCC1 ZINC000336196876 134126625 /nfs/dbraw/zinc/12/66/25/134126625.db2.gz CRPKUYNRTXLXRB-LBPRGKRZSA-N 1 2 220.316 1.791 20 30 BDEDLO CC[C@H](C(=O)OC)[NH+]1CCC(F)(C#N)CC1 ZINC000352448206 134145468 /nfs/dbraw/zinc/14/54/68/134145468.db2.gz FQKUKPLHDIEBJW-SECBINFHSA-N 1 2 228.267 1.266 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000336407500 134146159 /nfs/dbraw/zinc/14/61/59/134146159.db2.gz YTSBAGMLCPZBRK-SNVBAGLBSA-N 1 2 240.266 1.970 20 30 BDEDLO CN(CCC#N)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336563057 134150088 /nfs/dbraw/zinc/15/00/88/134150088.db2.gz ZCRBQXYXRDNKRA-SECBINFHSA-N 1 2 232.287 1.202 20 30 BDEDLO CC[C@]1(C)COCC[N@@H+]1CC1(C#N)CC1 ZINC000334143773 134154633 /nfs/dbraw/zinc/15/46/33/134154633.db2.gz TVXODRYFGIYTMN-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO CC[C@]1(C)COCC[N@H+]1CC1(C#N)CC1 ZINC000334143773 134154634 /nfs/dbraw/zinc/15/46/34/134154634.db2.gz TVXODRYFGIYTMN-LLVKDONJSA-N 1 2 208.305 1.791 20 30 BDEDLO C=CC1CC[NH+](CC(=O)Nc2cc(C)on2)CC1 ZINC000111257323 134160841 /nfs/dbraw/zinc/16/08/41/134160841.db2.gz CLLNRFHFWMRFFB-UHFFFAOYSA-N 1 2 249.314 1.820 20 30 BDEDLO CN(C)c1ncc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354017322 134165908 /nfs/dbraw/zinc/16/59/08/134165908.db2.gz JHFBNHGTKFBHHP-UHFFFAOYSA-N 1 2 247.346 1.524 20 30 BDEDLO CN(C)c1ncc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354017322 134165909 /nfs/dbraw/zinc/16/59/09/134165909.db2.gz JHFBNHGTKFBHHP-UHFFFAOYSA-N 1 2 247.346 1.524 20 30 BDEDLO N#CCc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000358131638 134186922 /nfs/dbraw/zinc/18/69/22/134186922.db2.gz SMQRIBRMSLKGBB-UHFFFAOYSA-N 1 2 240.266 1.406 20 30 BDEDLO Cn1cc(C[NH2+]CC(C)(C)C#N)c(C(F)F)n1 ZINC000361117458 134203444 /nfs/dbraw/zinc/20/34/44/134203444.db2.gz KDHUDTOSJQQYFQ-UHFFFAOYSA-N 1 2 242.273 1.997 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCC1 ZINC000362169715 134209178 /nfs/dbraw/zinc/20/91/78/134209178.db2.gz KCININMTXTZPRE-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCC1 ZINC000362169715 134209179 /nfs/dbraw/zinc/20/91/79/134209179.db2.gz KCININMTXTZPRE-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363179148 134215242 /nfs/dbraw/zinc/21/52/42/134215242.db2.gz GJWPGDFZUMJDEO-LBPRGKRZSA-N 1 2 247.342 1.870 20 30 BDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCC#N)C1 ZINC000368836987 134220837 /nfs/dbraw/zinc/22/08/37/134220837.db2.gz YUWWGSGUGCSQEH-GFCCVEGCSA-N 1 2 249.314 1.796 20 30 BDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000368836987 134220838 /nfs/dbraw/zinc/22/08/38/134220838.db2.gz YUWWGSGUGCSQEH-GFCCVEGCSA-N 1 2 249.314 1.796 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368949148 134221032 /nfs/dbraw/zinc/22/10/32/134221032.db2.gz HBBNARMRHYIJTL-WDEREUQCSA-N 1 2 233.315 1.526 20 30 BDEDLO C=CCCC[N@H+]1CCOCC(F)(F)C1 ZINC000377488043 134244064 /nfs/dbraw/zinc/24/40/64/134244064.db2.gz APYCIIQEPRQTGR-UHFFFAOYSA-N 1 2 205.248 1.920 20 30 BDEDLO C=CCCC[N@@H+]1CCOCC(F)(F)C1 ZINC000377488043 134244065 /nfs/dbraw/zinc/24/40/65/134244065.db2.gz APYCIIQEPRQTGR-UHFFFAOYSA-N 1 2 205.248 1.920 20 30 BDEDLO C=CCOCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000378604117 134246355 /nfs/dbraw/zinc/24/63/55/134246355.db2.gz BJGAGMDFXHCOSE-UHFFFAOYSA-N 1 2 244.298 1.304 20 30 BDEDLO CC(C)CC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000360094167 134254829 /nfs/dbraw/zinc/25/48/29/134254829.db2.gz YJFPGNYVPGHTKC-ZDUSSCGKSA-N 1 2 221.348 1.705 20 30 BDEDLO CC(C)CC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000360094167 134254830 /nfs/dbraw/zinc/25/48/30/134254830.db2.gz YJFPGNYVPGHTKC-ZDUSSCGKSA-N 1 2 221.348 1.705 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)c1c[nH]c(C#N)c1 ZINC000181211283 134333988 /nfs/dbraw/zinc/33/39/88/134333988.db2.gz CPGSNSLSNVEKJO-UHFFFAOYSA-N 1 2 242.238 1.542 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)C1CC1 ZINC000309955807 134493509 /nfs/dbraw/zinc/49/35/09/134493509.db2.gz IGYPFYZTEWTCOC-JTQLQIEISA-N 1 2 224.304 1.467 20 30 BDEDLO N#CCCOCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000339195391 135066915 /nfs/dbraw/zinc/06/69/15/135066915.db2.gz NURCJGLBBMNMTN-SECBINFHSA-N 1 2 218.247 1.646 20 30 BDEDLO N#CCCOCC[N@H+]1CCC[C@@H]1C(F)F ZINC000339195391 135066914 /nfs/dbraw/zinc/06/69/14/135066914.db2.gz NURCJGLBBMNMTN-SECBINFHSA-N 1 2 218.247 1.646 20 30 BDEDLO C=CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339229739 135067779 /nfs/dbraw/zinc/06/77/79/135067779.db2.gz JANAKWRRLGLWHL-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339229739 135067780 /nfs/dbraw/zinc/06/77/80/135067780.db2.gz JANAKWRRLGLWHL-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO COc1ccc([C@H](CO)[N@H+](C)CCC#N)cc1 ZINC000112996450 135072319 /nfs/dbraw/zinc/07/23/19/135072319.db2.gz SUPPPLIIBFZLMU-ZDUSSCGKSA-N 1 2 234.299 1.574 20 30 BDEDLO COc1ccc([C@H](CO)[N@@H+](C)CCC#N)cc1 ZINC000112996450 135072320 /nfs/dbraw/zinc/07/23/20/135072320.db2.gz SUPPPLIIBFZLMU-ZDUSSCGKSA-N 1 2 234.299 1.574 20 30 BDEDLO N#CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339923494 135089258 /nfs/dbraw/zinc/08/92/58/135089258.db2.gz OXPWQRPSRVWDRK-UHFFFAOYSA-N 1 2 240.266 1.185 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCCNC1=O ZINC000252432465 135094205 /nfs/dbraw/zinc/09/42/05/135094205.db2.gz OLNUPHXAHZTDMC-QWRGUYRKSA-N 1 2 223.320 1.137 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCCNC1=O ZINC000252432465 135094206 /nfs/dbraw/zinc/09/42/06/135094206.db2.gz OLNUPHXAHZTDMC-QWRGUYRKSA-N 1 2 223.320 1.137 20 30 BDEDLO C=CCNC(=O)C[NH+]1CCc2sccc2C1 ZINC000253374393 135096000 /nfs/dbraw/zinc/09/60/00/135096000.db2.gz MDISKELTBPCBNS-UHFFFAOYSA-N 1 2 236.340 1.408 20 30 BDEDLO COc1cc[nH+]c(CN(C)C[C@H](C)C#N)c1 ZINC000264393000 135137977 /nfs/dbraw/zinc/13/79/77/135137977.db2.gz GBFPKLPEEYJHAC-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO COc1cc[nH+]c(CN(C)CCC#N)c1 ZINC000267638763 135156184 /nfs/dbraw/zinc/15/61/84/135156184.db2.gz VBBADGMNOBBGFP-UHFFFAOYSA-N 1 2 205.261 1.436 20 30 BDEDLO N#CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000269008731 135162986 /nfs/dbraw/zinc/16/29/86/135162986.db2.gz TUGVDXCCWIVFFH-UHFFFAOYSA-N 1 2 218.300 1.785 20 30 BDEDLO N#CCC[N@H+](CCCO)Cc1ccccc1 ZINC000269008731 135162988 /nfs/dbraw/zinc/16/29/88/135162988.db2.gz TUGVDXCCWIVFFH-UHFFFAOYSA-N 1 2 218.300 1.785 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOCCC#N ZINC000293545994 135180708 /nfs/dbraw/zinc/18/07/08/135180708.db2.gz KRAWANMGQGSYDS-UHFFFAOYSA-N 1 2 207.277 1.318 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOCCC#N ZINC000293545994 135180709 /nfs/dbraw/zinc/18/07/09/135180709.db2.gz KRAWANMGQGSYDS-UHFFFAOYSA-N 1 2 207.277 1.318 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000298856516 135201247 /nfs/dbraw/zinc/20/12/47/135201247.db2.gz IVNJGUNXLHCTNV-PELKAZGASA-N 1 2 209.742 1.438 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000298856516 135201249 /nfs/dbraw/zinc/20/12/49/135201249.db2.gz IVNJGUNXLHCTNV-PELKAZGASA-N 1 2 209.742 1.438 20 30 BDEDLO CC(C)n1cc[nH+]c1CN(CC#N)C1CC1 ZINC000299558738 135205539 /nfs/dbraw/zinc/20/55/39/135205539.db2.gz DUAQTJXUAKOATR-UHFFFAOYSA-N 1 2 218.304 1.952 20 30 BDEDLO C[C@H](C#N)CN(C)c1[nH+]cnc2[nH]ccc21 ZINC000299643813 135206015 /nfs/dbraw/zinc/20/60/15/135206015.db2.gz KXPHADQQAWEVTR-MRVPVSSYSA-N 1 2 215.260 1.554 20 30 BDEDLO CCCN(CC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366720908 135234217 /nfs/dbraw/zinc/23/42/17/135234217.db2.gz QDGQNQUDJJEHEL-NSHDSACASA-N 1 2 246.314 1.208 20 30 BDEDLO C=CC[C@@H](CO)CNC(=O)Nc1cc[nH+]cc1C ZINC000341708409 135242733 /nfs/dbraw/zinc/24/27/33/135242733.db2.gz WFVBHEKUZRNHEZ-LLVKDONJSA-N 1 2 249.314 1.118 20 30 BDEDLO N#CCNC(=O)CSc1[nH+]cc2ccccn21 ZINC000342175302 135249108 /nfs/dbraw/zinc/24/91/08/135249108.db2.gz VHGNEIODFUYNAM-UHFFFAOYSA-N 1 2 246.295 1.066 20 30 BDEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCNC1=O ZINC000334378646 135378992 /nfs/dbraw/zinc/37/89/92/135378992.db2.gz XURWAGUGMXPTHW-GFCCVEGCSA-N 1 2 247.273 1.018 20 30 BDEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCNC1=O ZINC000334378646 135378994 /nfs/dbraw/zinc/37/89/94/135378994.db2.gz XURWAGUGMXPTHW-GFCCVEGCSA-N 1 2 247.273 1.018 20 30 BDEDLO Cc1nc(C(C)(C)NC(=O)c2c[nH+]c(C)[nH]2)no1 ZINC000330469863 135475720 /nfs/dbraw/zinc/47/57/20/135475720.db2.gz ZUEKNXPCMQIGGX-UHFFFAOYSA-N 1 2 249.274 1.649 20 30 BDEDLO C=CCNC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118848660 135634256 /nfs/dbraw/zinc/63/42/56/135634256.db2.gz LEJNZSJHWCZAHD-UHFFFAOYSA-N 1 2 239.344 1.270 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000335340017 136045860 /nfs/dbraw/zinc/04/58/60/136045860.db2.gz GNXFFLBTXPFMKH-LLVKDONJSA-N 1 2 219.288 1.928 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000335340017 136045861 /nfs/dbraw/zinc/04/58/61/136045861.db2.gz GNXFFLBTXPFMKH-LLVKDONJSA-N 1 2 219.288 1.928 20 30 BDEDLO Cc1noc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000594056356 397966458 /nfs/dbraw/zinc/96/64/58/397966458.db2.gz VLSDYOVYNGSWDX-UWVGGRQHSA-N 1 2 220.276 1.502 20 30 BDEDLO Cc1noc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000594056356 397966461 /nfs/dbraw/zinc/96/64/61/397966461.db2.gz VLSDYOVYNGSWDX-UWVGGRQHSA-N 1 2 220.276 1.502 20 30 BDEDLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623479 397993685 /nfs/dbraw/zinc/99/36/85/397993685.db2.gz RAHSAMOAVBQFPG-GHMZBOCLSA-N 1 2 233.319 1.502 20 30 BDEDLO C[C@H](c1nncn1C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623479 397993688 /nfs/dbraw/zinc/99/36/88/397993688.db2.gz RAHSAMOAVBQFPG-GHMZBOCLSA-N 1 2 233.319 1.502 20 30 BDEDLO COc1c(C)[nH+]cnc1N1CCC[C@@H](CC#N)C1 ZINC000596325844 397999887 /nfs/dbraw/zinc/99/98/87/397999887.db2.gz NZILZRXIZKOCIW-NSHDSACASA-N 1 2 246.314 1.924 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCc1cc(CC)no1 ZINC000491633490 398050429 /nfs/dbraw/zinc/05/04/29/398050429.db2.gz PXYWKFYTQHSFMY-ZDUSSCGKSA-N 1 2 248.326 1.504 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCc1cc(CC)no1 ZINC000491633490 398050435 /nfs/dbraw/zinc/05/04/35/398050435.db2.gz PXYWKFYTQHSFMY-ZDUSSCGKSA-N 1 2 248.326 1.504 20 30 BDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)[nH]c1C ZINC000602710150 398079379 /nfs/dbraw/zinc/07/93/79/398079379.db2.gz UQCLNGQIKCIKEI-UHFFFAOYSA-N 1 2 247.298 1.455 20 30 BDEDLO C#CC[N@H+](Cc1ncccn1)C1CCCC1 ZINC000192068843 398104982 /nfs/dbraw/zinc/10/49/82/398104982.db2.gz KKHVEODSILUEPG-UHFFFAOYSA-N 1 2 215.300 1.854 20 30 BDEDLO C#CC[N@@H+](Cc1ncccn1)C1CCCC1 ZINC000192068843 398104986 /nfs/dbraw/zinc/10/49/86/398104986.db2.gz KKHVEODSILUEPG-UHFFFAOYSA-N 1 2 215.300 1.854 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000192230519 398107335 /nfs/dbraw/zinc/10/73/35/398107335.db2.gz SMFLLANSQLRDGS-UHFFFAOYSA-N 1 2 217.228 1.395 20 30 BDEDLO C#CC[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000192230519 398107338 /nfs/dbraw/zinc/10/73/38/398107338.db2.gz SMFLLANSQLRDGS-UHFFFAOYSA-N 1 2 217.228 1.395 20 30 BDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000279197007 166110437 /nfs/dbraw/zinc/11/04/37/166110437.db2.gz FQBLUINPSOUZBN-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000279197007 166110440 /nfs/dbraw/zinc/11/04/40/166110440.db2.gz FQBLUINPSOUZBN-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO Cn1nccc1C[N@H+](CCC#N)CC1CC1 ZINC000093091504 410099671 /nfs/dbraw/zinc/09/96/71/410099671.db2.gz RXBNIADIOHWQAA-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1nccc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091504 410099679 /nfs/dbraw/zinc/09/96/79/410099679.db2.gz RXBNIADIOHWQAA-UHFFFAOYSA-N 1 2 218.304 1.546 20 30 BDEDLO C#CC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000171932469 166160111 /nfs/dbraw/zinc/16/01/11/166160111.db2.gz QEJCMSFCCFRFMO-CQSZACIVSA-N 1 2 245.322 1.726 20 30 BDEDLO C#CC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000171932469 166160116 /nfs/dbraw/zinc/16/01/16/166160116.db2.gz QEJCMSFCCFRFMO-CQSZACIVSA-N 1 2 245.322 1.726 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(CC)no1 ZINC000266948002 166169391 /nfs/dbraw/zinc/16/93/91/166169391.db2.gz SXMINJBQZXIXIC-VIFPVBQESA-N 1 2 207.277 1.648 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(CC)no1 ZINC000266948002 166169393 /nfs/dbraw/zinc/16/93/93/166169393.db2.gz SXMINJBQZXIXIC-VIFPVBQESA-N 1 2 207.277 1.648 20 30 BDEDLO C=CCCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267415641 166234506 /nfs/dbraw/zinc/23/45/06/166234506.db2.gz UZCBNGCWPWSCBV-UHFFFAOYSA-N 1 2 248.330 1.035 20 30 BDEDLO C=CCCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267415641 166234508 /nfs/dbraw/zinc/23/45/08/166234508.db2.gz UZCBNGCWPWSCBV-UHFFFAOYSA-N 1 2 248.330 1.035 20 30 BDEDLO C=CCCCNc1ncnc2c1C[N@H+](C)CC2 ZINC000279635643 166244358 /nfs/dbraw/zinc/24/43/58/166244358.db2.gz ZQWVUUDGHDQHKT-UHFFFAOYSA-N 1 2 232.331 1.843 20 30 BDEDLO C=CCCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000279635643 166244360 /nfs/dbraw/zinc/24/43/60/166244360.db2.gz ZQWVUUDGHDQHKT-UHFFFAOYSA-N 1 2 232.331 1.843 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1csc(C)n1 ZINC000271939968 166369618 /nfs/dbraw/zinc/36/96/18/166369618.db2.gz AKPCWORQTOEWMY-MRVPVSSYSA-N 1 2 239.344 1.404 20 30 BDEDLO C=CCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000040295616 166374072 /nfs/dbraw/zinc/37/40/72/166374072.db2.gz IKEILDLMTIQWMQ-UHFFFAOYSA-N 1 2 243.310 1.901 20 30 BDEDLO C=CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000264283658 166376755 /nfs/dbraw/zinc/37/67/55/166376755.db2.gz SNSNOZXLKLSXPX-UHFFFAOYSA-N 1 2 248.330 1.759 20 30 BDEDLO Cc1csc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592152449 411132361 /nfs/dbraw/zinc/13/23/61/411132361.db2.gz XWLFGQBFQKHILY-NSHDSACASA-N 1 2 237.328 1.302 20 30 BDEDLO Cc1csc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592152449 411132363 /nfs/dbraw/zinc/13/23/63/411132363.db2.gz XWLFGQBFQKHILY-NSHDSACASA-N 1 2 237.328 1.302 20 30 BDEDLO C=CC[C@H](CO)CNc1nc[nH+]c(C)c1OC ZINC000656152485 411187513 /nfs/dbraw/zinc/18/75/13/411187513.db2.gz JUHKYOQIKSQNQN-JTQLQIEISA-N 1 2 237.303 1.390 20 30 BDEDLO N#CCC[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000515166239 411273612 /nfs/dbraw/zinc/27/36/12/411273612.db2.gz GHKAFXXUZZFRRF-UHFFFAOYSA-N 1 2 215.300 1.964 20 30 BDEDLO CCc1c[nH]c(CC(=O)N([C@@H](C)C#N)C2CC2)[nH+]1 ZINC000602179477 411294643 /nfs/dbraw/zinc/29/46/43/411294643.db2.gz MUVYOAAUTDUDJW-VIFPVBQESA-N 1 2 246.314 1.418 20 30 BDEDLO CC#CC[NH2+]Cc1cn(-c2ccc(C)cc2)nn1 ZINC000656432827 411249266 /nfs/dbraw/zinc/24/92/66/411249266.db2.gz CZLKGFPJZZKOGH-UHFFFAOYSA-N 1 2 240.310 1.689 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)CC(=C)C)nn1 ZINC000653609695 411438521 /nfs/dbraw/zinc/43/85/21/411438521.db2.gz ZLPFJFYXMLKIBT-UHFFFAOYSA-N 1 2 220.320 1.862 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)CC(=C)C)nn1 ZINC000653609695 411438522 /nfs/dbraw/zinc/43/85/22/411438522.db2.gz ZLPFJFYXMLKIBT-UHFFFAOYSA-N 1 2 220.320 1.862 20 30 BDEDLO CN(C)c1ccc(CNC(=O)CCCC#N)c[nH+]1 ZINC000292635372 411470029 /nfs/dbraw/zinc/47/00/29/411470029.db2.gz OJFZFELTEMEFMO-UHFFFAOYSA-N 1 2 246.314 1.458 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1coc(C)n1 ZINC000660402664 411579679 /nfs/dbraw/zinc/57/96/79/411579679.db2.gz JYMNTLXJSYPPHW-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1coc(C)n1 ZINC000660402664 411579681 /nfs/dbraw/zinc/57/96/81/411579681.db2.gz JYMNTLXJSYPPHW-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660429782 411583374 /nfs/dbraw/zinc/58/33/74/411583374.db2.gz PSINRGDQVCRRJJ-NSHDSACASA-N 1 2 206.293 1.388 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660429782 411583376 /nfs/dbraw/zinc/58/33/76/411583376.db2.gz PSINRGDQVCRRJJ-NSHDSACASA-N 1 2 206.293 1.388 20 30 BDEDLO C=CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000660436983 411584191 /nfs/dbraw/zinc/58/41/91/411584191.db2.gz USGIFCPAXBJBST-UHFFFAOYSA-N 1 2 236.319 1.539 20 30 BDEDLO C=CCCC[C@@H](C)[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660730838 411619631 /nfs/dbraw/zinc/61/96/31/411619631.db2.gz MMGZGBUTSPVHSI-LLVKDONJSA-N 1 2 245.388 1.850 20 30 BDEDLO C=C[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660882406 411662709 /nfs/dbraw/zinc/66/27/09/411662709.db2.gz YLYPVKRYKYLUQX-QMMMGPOBSA-N 1 2 208.265 1.126 20 30 BDEDLO C=C[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660882406 411662713 /nfs/dbraw/zinc/66/27/13/411662713.db2.gz YLYPVKRYKYLUQX-QMMMGPOBSA-N 1 2 208.265 1.126 20 30 BDEDLO C=CCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205470 411732892 /nfs/dbraw/zinc/73/28/92/411732892.db2.gz XMOMKBHPPBMEEU-VIFPVBQESA-N 1 2 234.303 1.142 20 30 BDEDLO C=CCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205470 411732895 /nfs/dbraw/zinc/73/28/95/411732895.db2.gz XMOMKBHPPBMEEU-VIFPVBQESA-N 1 2 234.303 1.142 20 30 BDEDLO C=CC[N@@H+](Cc1cnnn1CC)[C@H](C)COC ZINC000661239037 411739256 /nfs/dbraw/zinc/73/92/56/411739256.db2.gz BXJWOYBSCMVMQM-LLVKDONJSA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1cnnn1CC)[C@H](C)COC ZINC000661239037 411739259 /nfs/dbraw/zinc/73/92/59/411739259.db2.gz BXJWOYBSCMVMQM-LLVKDONJSA-N 1 2 238.335 1.321 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000663939179 411783025 /nfs/dbraw/zinc/78/30/25/411783025.db2.gz YIDPNSXPRNBPNJ-CYBMUJFWSA-N 1 2 236.359 1.589 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000663939179 411783028 /nfs/dbraw/zinc/78/30/28/411783028.db2.gz YIDPNSXPRNBPNJ-CYBMUJFWSA-N 1 2 236.359 1.589 20 30 BDEDLO C=CC[N@@H+](Cc1ncnn1C)C(C)(C)C ZINC000661756481 411866666 /nfs/dbraw/zinc/86/66/66/411866666.db2.gz QEUPCRGZXWKARF-UHFFFAOYSA-N 1 2 208.309 1.602 20 30 BDEDLO C=CC[N@H+](Cc1ncnn1C)C(C)(C)C ZINC000661756481 411866668 /nfs/dbraw/zinc/86/66/68/411866668.db2.gz QEUPCRGZXWKARF-UHFFFAOYSA-N 1 2 208.309 1.602 20 30 BDEDLO C=CCN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662091005 411985035 /nfs/dbraw/zinc/98/50/35/411985035.db2.gz BYXANTKLGUWRGN-SECBINFHSA-N 1 2 222.292 1.309 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1noc2c1CCCC2 ZINC000662165317 412014900 /nfs/dbraw/zinc/01/49/00/412014900.db2.gz BIVOKJCIMXLGSO-SECBINFHSA-N 1 2 222.288 1.190 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191208850 171087591 /nfs/dbraw/zinc/08/75/91/171087591.db2.gz MGVMFAFDTXTQCU-CYBMUJFWSA-N 1 2 233.315 1.508 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000191208850 171087595 /nfs/dbraw/zinc/08/75/95/171087595.db2.gz MGVMFAFDTXTQCU-CYBMUJFWSA-N 1 2 233.315 1.508 20 30 BDEDLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000173199044 171240740 /nfs/dbraw/zinc/24/07/40/171240740.db2.gz JXVLGAPWVBRQQW-CYBMUJFWSA-N 1 2 246.310 1.942 20 30 BDEDLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000173199044 171240742 /nfs/dbraw/zinc/24/07/42/171240742.db2.gz JXVLGAPWVBRQQW-CYBMUJFWSA-N 1 2 246.310 1.942 20 30 BDEDLO N#Cc1cc(NCCNc2cccc[nH+]2)ncn1 ZINC000515150112 412253284 /nfs/dbraw/zinc/25/32/84/412253284.db2.gz YZSJXDLJHKSIPD-UHFFFAOYSA-N 1 2 240.270 1.267 20 30 BDEDLO CCn1cc[nH+]c1CNc1nc(C)cc(C#N)n1 ZINC000294902395 172225240 /nfs/dbraw/zinc/22/52/40/172225240.db2.gz DZAIGOHTSHRLJW-UHFFFAOYSA-N 1 2 242.286 1.485 20 30 BDEDLO CN(Cc1nc(C#N)cs1)Cc1[nH+]ccn1C ZINC000356437366 172922812 /nfs/dbraw/zinc/92/28/12/172922812.db2.gz LBQRGHKDYKCQAD-UHFFFAOYSA-N 1 2 247.327 1.380 20 30 BDEDLO COC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356100261 174031309 /nfs/dbraw/zinc/03/13/09/174031309.db2.gz PMNVJBOEWAUYKW-UHFFFAOYSA-N 1 2 237.328 1.626 20 30 BDEDLO COC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000335403930 174034970 /nfs/dbraw/zinc/03/49/70/174034970.db2.gz VMJAMTUCCTWWTR-UHFFFAOYSA-N 1 2 202.257 1.389 20 30 BDEDLO COc1ccc(C[NH+]2CC(OC)C2)cc1C#N ZINC000310281974 175098381 /nfs/dbraw/zinc/09/83/81/175098381.db2.gz HQHCTSRXVLAIPT-UHFFFAOYSA-N 1 2 232.283 1.397 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296156998 176013552 /nfs/dbraw/zinc/01/35/52/176013552.db2.gz KDMGYERLCUFZFK-MNOVXSKESA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296156998 176013553 /nfs/dbraw/zinc/01/35/53/176013553.db2.gz KDMGYERLCUFZFK-MNOVXSKESA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CO)C1 ZINC000275588705 176016559 /nfs/dbraw/zinc/01/65/59/176016559.db2.gz JPSFBOAYISMJAI-FZMZJTMJSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CO)C1 ZINC000275588705 176016560 /nfs/dbraw/zinc/01/65/60/176016560.db2.gz JPSFBOAYISMJAI-FZMZJTMJSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962548 176302998 /nfs/dbraw/zinc/30/29/98/176302998.db2.gz AKVSJCJSQSSJBL-RISCZKNCSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962548 176302999 /nfs/dbraw/zinc/30/29/99/176302999.db2.gz AKVSJCJSQSSJBL-RISCZKNCSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156054383 176335599 /nfs/dbraw/zinc/33/55/99/176335599.db2.gz AQUUWPWHZOZMMM-GFCCVEGCSA-N 1 2 233.286 1.898 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156054383 176335601 /nfs/dbraw/zinc/33/56/01/176335601.db2.gz AQUUWPWHZOZMMM-GFCCVEGCSA-N 1 2 233.286 1.898 20 30 BDEDLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(C#N)cc1 ZINC000287172839 176882303 /nfs/dbraw/zinc/88/23/03/176882303.db2.gz UQUFZCNHNXQESN-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CO)C1 ZINC000267331300 177032628 /nfs/dbraw/zinc/03/26/28/177032628.db2.gz AFIOMCJVOLORIV-RISCZKNCSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CO)C1 ZINC000267331300 177032629 /nfs/dbraw/zinc/03/26/29/177032629.db2.gz AFIOMCJVOLORIV-RISCZKNCSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)C(=O)C1 ZINC000187693530 177034975 /nfs/dbraw/zinc/03/49/75/177034975.db2.gz TZMDARSRMIPTAY-LLVKDONJSA-N 1 2 243.310 1.393 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C)C(=O)C1 ZINC000187693530 177034977 /nfs/dbraw/zinc/03/49/77/177034977.db2.gz TZMDARSRMIPTAY-LLVKDONJSA-N 1 2 243.310 1.393 20 30 BDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000092017593 177262578 /nfs/dbraw/zinc/26/25/78/177262578.db2.gz SVOPYRVMEBJSNE-ZJUUUORDSA-N 1 2 220.272 1.760 20 30 BDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000092017593 177262579 /nfs/dbraw/zinc/26/25/79/177262579.db2.gz SVOPYRVMEBJSNE-ZJUUUORDSA-N 1 2 220.272 1.760 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCC1(C#N)CCC1 ZINC000842035570 584021696 /nfs/dbraw/zinc/02/16/96/584021696.db2.gz CFTFYGXNOCLOIB-QMMMGPOBSA-N 1 2 211.265 1.214 20 30 BDEDLO Cc1cc(NC[C@@H]2CC[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000398963486 267300207 /nfs/dbraw/zinc/30/02/07/267300207.db2.gz OWHORXDLWYYMQN-ZYHUDNBSSA-N 1 2 231.299 1.257 20 30 BDEDLO Cc1cc(NCc2c[nH+]cn2C)c(C#N)cn1 ZINC000399346387 267300236 /nfs/dbraw/zinc/30/02/36/267300236.db2.gz BKONOBQPPSRLAV-UHFFFAOYSA-N 1 2 227.271 1.029 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)C1(C#N)CCC1)CC2 ZINC000364689539 487774584 /nfs/dbraw/zinc/77/45/84/487774584.db2.gz FPDOBGXWFKVWMJ-UHFFFAOYSA-N 1 2 244.298 1.228 20 30 BDEDLO C=CCOCCCNC(=O)Nc1cc[nH+]cc1C ZINC000666493929 487822141 /nfs/dbraw/zinc/82/21/41/487822141.db2.gz PATHRKPTLFKUMH-UHFFFAOYSA-N 1 2 249.314 1.526 20 30 BDEDLO CC[N@H+](CCC(OC)OC)[C@H](C)C#N ZINC000852645611 588693795 /nfs/dbraw/zinc/69/37/95/588693795.db2.gz HPSYIJUAUAPEBN-SECBINFHSA-N 1 2 200.282 1.229 20 30 BDEDLO CC[N@@H+](CCC(OC)OC)[C@H](C)C#N ZINC000852645611 588693796 /nfs/dbraw/zinc/69/37/96/588693796.db2.gz HPSYIJUAUAPEBN-SECBINFHSA-N 1 2 200.282 1.229 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cnc(OC)s1 ZINC000876639072 590225120 /nfs/dbraw/zinc/22/51/20/590225120.db2.gz LENRINGJTASJJN-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO C#CC[N@H+](CC)Cc1cnc(OC)s1 ZINC000876639072 590225122 /nfs/dbraw/zinc/22/51/22/590225122.db2.gz LENRINGJTASJJN-UHFFFAOYSA-N 1 2 210.302 1.607 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000595609151 487871683 /nfs/dbraw/zinc/87/16/83/487871683.db2.gz HCLYTKXVNJZPEZ-JTQLQIEISA-N 1 2 246.318 1.134 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000595609151 487871691 /nfs/dbraw/zinc/87/16/91/487871691.db2.gz HCLYTKXVNJZPEZ-JTQLQIEISA-N 1 2 246.318 1.134 20 30 BDEDLO CCNC(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000676557183 487871697 /nfs/dbraw/zinc/87/16/97/487871697.db2.gz LLUBLMIHGRUPTG-UHFFFAOYSA-N 1 2 248.301 1.245 20 30 BDEDLO CCNC(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000676557183 487871700 /nfs/dbraw/zinc/87/17/00/487871700.db2.gz LLUBLMIHGRUPTG-UHFFFAOYSA-N 1 2 248.301 1.245 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN(CCOC)CC1 ZINC000677133406 487894494 /nfs/dbraw/zinc/89/44/94/487894494.db2.gz UPTPVKHKNOEFKQ-CYBMUJFWSA-N 1 2 224.348 1.052 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676793384 487931590 /nfs/dbraw/zinc/93/15/90/487931590.db2.gz ZDZHQCSPSODYST-NSHDSACASA-N 1 2 221.304 1.095 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000676793384 487931591 /nfs/dbraw/zinc/93/15/91/487931591.db2.gz ZDZHQCSPSODYST-NSHDSACASA-N 1 2 221.304 1.095 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000561945145 323009035 /nfs/dbraw/zinc/00/90/35/323009035.db2.gz LGSFOQRTMXSFDG-SSDOTTSWSA-N 1 2 236.237 1.171 20 30 BDEDLO CC(=O)NCCC[N@H+](CC#N)C1CCCC1 ZINC000151124225 323010034 /nfs/dbraw/zinc/01/00/34/323010034.db2.gz CQTKBVCIXNAUMN-UHFFFAOYSA-N 1 2 223.320 1.281 20 30 BDEDLO CC(=O)NCCC[N@@H+](CC#N)C1CCCC1 ZINC000151124225 323010035 /nfs/dbraw/zinc/01/00/35/323010035.db2.gz CQTKBVCIXNAUMN-UHFFFAOYSA-N 1 2 223.320 1.281 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000570056083 323048666 /nfs/dbraw/zinc/04/86/66/323048666.db2.gz BIESJXUXLCSIHN-APPZFPTMSA-N 1 2 207.281 1.456 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000572638187 323050899 /nfs/dbraw/zinc/05/08/99/323050899.db2.gz TZCBGKCYIGQLKY-CBAPKCEASA-N 1 2 225.317 1.224 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)c2[nH+]ccn21 ZINC000563052824 323082888 /nfs/dbraw/zinc/08/28/88/323082888.db2.gz DNPFOUKFRIGLDT-PSASIEDQSA-N 1 2 240.270 1.663 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493856677 323087493 /nfs/dbraw/zinc/08/74/93/323087493.db2.gz PMLZIJOBZUDZRC-PCAWENJQSA-N 1 2 230.271 1.231 20 30 BDEDLO C[C@H](CC(=O)N(C)CCC#N)n1cc[nH+]c1 ZINC000563238058 323105852 /nfs/dbraw/zinc/10/58/52/323105852.db2.gz OTCXYJAWKOMFBC-SNVBAGLBSA-N 1 2 220.276 1.206 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1nccc(OC)c1OC ZINC000563363795 323120945 /nfs/dbraw/zinc/12/09/45/323120945.db2.gz CDFLFBIJHDDERJ-JTQLQIEISA-N 1 2 249.314 1.881 20 30 BDEDLO N#Cc1cccc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000535890238 323193701 /nfs/dbraw/zinc/19/37/01/323193701.db2.gz YHABXRZTNQKKPE-UHFFFAOYSA-N 1 2 225.255 1.211 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccoc2)nn1 ZINC000571873487 323491615 /nfs/dbraw/zinc/49/16/15/323491615.db2.gz IGSMODBAQSWCBL-JTQLQIEISA-N 1 2 232.287 1.908 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](O)c1cccc(Cl)c1 ZINC000076185158 487958873 /nfs/dbraw/zinc/95/88/73/487958873.db2.gz DNXPKJYQNGCXLB-AWEZNQCLSA-N 1 2 247.725 1.942 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnnn1CCCC ZINC000682435113 487962400 /nfs/dbraw/zinc/96/24/00/487962400.db2.gz KUWZFXBVPQAGIB-UHFFFAOYSA-N 1 2 223.324 1.481 20 30 BDEDLO C=CCC[N@H+](C)Cc1nnnn1CCCC ZINC000682435113 487962404 /nfs/dbraw/zinc/96/24/04/487962404.db2.gz KUWZFXBVPQAGIB-UHFFFAOYSA-N 1 2 223.324 1.481 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)OC)o1 ZINC000490679968 324154875 /nfs/dbraw/zinc/15/48/75/324154875.db2.gz WIUKMGCQPOKRDE-UHFFFAOYSA-N 1 2 245.278 1.525 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)OC)o1 ZINC000490679968 324154877 /nfs/dbraw/zinc/15/48/77/324154877.db2.gz WIUKMGCQPOKRDE-UHFFFAOYSA-N 1 2 245.278 1.525 20 30 BDEDLO Cc1nc(N2CCC(CC#N)CC2)cc[nH+]1 ZINC000543792370 325113867 /nfs/dbraw/zinc/11/38/67/325113867.db2.gz SOZSIVQQNDWICN-UHFFFAOYSA-N 1 2 216.288 1.915 20 30 BDEDLO COCCCn1nccc1C[NH2+]C[C@H](C)C#N ZINC000549778997 325515713 /nfs/dbraw/zinc/51/57/13/325515713.db2.gz QKNRHVUJRDECRE-LLVKDONJSA-N 1 2 236.319 1.169 20 30 BDEDLO CCC1(CC)[C@H]([NH2+]CC#N)[C@@H](C)[C@H]1OC ZINC000248867481 325624665 /nfs/dbraw/zinc/62/46/65/325624665.db2.gz YZHWPZPEYJPYLO-GMTAPVOTSA-N 1 2 210.321 1.939 20 30 BDEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC#N ZINC000552389729 325629531 /nfs/dbraw/zinc/62/95/31/325629531.db2.gz RVMNJZPNRFZHLV-UHFFFAOYSA-N 1 2 235.243 1.607 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565049016 325851937 /nfs/dbraw/zinc/85/19/37/325851937.db2.gz XRKBEAJMNOWAJE-GHMZBOCLSA-N 1 2 234.303 1.499 20 30 BDEDLO Cc1cc(CCNc2cc(C)[nH+]cc2C#N)on1 ZINC000566406704 326040405 /nfs/dbraw/zinc/04/04/05/326040405.db2.gz OCBUEIWWKVOOCB-UHFFFAOYSA-N 1 2 242.282 1.635 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C#N)ccn12 ZINC000566687342 326074647 /nfs/dbraw/zinc/07/46/47/326074647.db2.gz KNFPFLVAIHGMAV-SECBINFHSA-N 1 2 242.282 1.532 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)C(C)C ZINC000155243354 326189625 /nfs/dbraw/zinc/18/96/25/326189625.db2.gz UGTAIHZEGYUBJV-NEPJUHHUSA-N 1 2 239.363 1.723 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)C(C)C ZINC000155243354 326189628 /nfs/dbraw/zinc/18/96/28/326189628.db2.gz UGTAIHZEGYUBJV-NEPJUHHUSA-N 1 2 239.363 1.723 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cc(C#N)ncn1 ZINC000568466833 326357565 /nfs/dbraw/zinc/35/75/65/326357565.db2.gz NVENGKSLFGPJGG-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO CC(C)n1cc(C[NH+]2CCC(CC#N)CC2)nn1 ZINC000568563686 326365205 /nfs/dbraw/zinc/36/52/05/326365205.db2.gz CRTYHDPMLHQEPB-UHFFFAOYSA-N 1 2 247.346 1.985 20 30 BDEDLO C=CCOCC[N@@H+]1Cc2cccnc2C1 ZINC000568622815 326368197 /nfs/dbraw/zinc/36/81/97/326368197.db2.gz YRQSJJCRSXVDMH-UHFFFAOYSA-N 1 2 204.273 1.600 20 30 BDEDLO C=CCOCC[N@H+]1Cc2cccnc2C1 ZINC000568622815 326368200 /nfs/dbraw/zinc/36/82/00/326368200.db2.gz YRQSJJCRSXVDMH-UHFFFAOYSA-N 1 2 204.273 1.600 20 30 BDEDLO N#CCC1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000568788516 326377607 /nfs/dbraw/zinc/37/76/07/326377607.db2.gz YMZKQFCRNCCWSF-UHFFFAOYSA-N 1 2 232.287 1.152 20 30 BDEDLO N#CCC1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000568788516 326377608 /nfs/dbraw/zinc/37/76/08/326377608.db2.gz YMZKQFCRNCCWSF-UHFFFAOYSA-N 1 2 232.287 1.152 20 30 BDEDLO COc1cc(C[NH+]2CC(CC#N)C2)sn1 ZINC000602709417 487997562 /nfs/dbraw/zinc/99/75/62/487997562.db2.gz RNBKHZZMCKBXON-UHFFFAOYSA-N 1 2 223.301 1.497 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C)(F)CC1 ZINC000602993275 488005193 /nfs/dbraw/zinc/00/51/93/488005193.db2.gz WJCSDBKXTUQMAR-VIFPVBQESA-N 1 2 215.268 1.538 20 30 BDEDLO CCc1[nH+]c(C)ccc1OCC#CCOC ZINC000682707468 488024495 /nfs/dbraw/zinc/02/44/95/488024495.db2.gz MHKSBXAXVNUMKL-UHFFFAOYSA-N 1 2 219.284 1.981 20 30 BDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H]2CC)nn1 ZINC000653696201 490192556 /nfs/dbraw/zinc/19/25/56/490192556.db2.gz QAVLXRHPRICBFR-LBPRGKRZSA-N 1 2 220.320 1.839 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H]2CC)nn1 ZINC000653696201 490192563 /nfs/dbraw/zinc/19/25/63/490192563.db2.gz QAVLXRHPRICBFR-LBPRGKRZSA-N 1 2 220.320 1.839 20 30 BDEDLO C[C@@H]([NH2+]CC(F)(F)CO)c1cccc(C#N)c1 ZINC000184712643 491120703 /nfs/dbraw/zinc/12/07/03/491120703.db2.gz FSBVOICOIQLJOZ-SECBINFHSA-N 1 2 240.253 1.836 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000081006666 491133697 /nfs/dbraw/zinc/13/36/97/491133697.db2.gz HULFNLRDDJXRKV-UHFFFAOYSA-N 1 2 216.288 1.737 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnc2ccccn21 ZINC000081006666 491133698 /nfs/dbraw/zinc/13/36/98/491133698.db2.gz HULFNLRDDJXRKV-UHFFFAOYSA-N 1 2 216.288 1.737 20 30 BDEDLO C=CC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284011923 534329132 /nfs/dbraw/zinc/32/91/32/534329132.db2.gz OCRNXRPHSIFBAU-CYNONHLPSA-N 1 2 205.261 1.504 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368949147 534343406 /nfs/dbraw/zinc/34/34/06/534343406.db2.gz HBBNARMRHYIJTL-QWRGUYRKSA-N 1 2 233.315 1.526 20 30 BDEDLO C=CC[C@H](CO)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000341705590 534388712 /nfs/dbraw/zinc/38/87/12/534388712.db2.gz TYIUXJLKZAXNKY-NSHDSACASA-N 1 2 249.314 1.118 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185209016 534439802 /nfs/dbraw/zinc/43/98/02/534439802.db2.gz DWFSFMNAFYQPGX-JTQLQIEISA-N 1 2 217.696 1.230 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185209016 534439799 /nfs/dbraw/zinc/43/97/99/534439799.db2.gz DWFSFMNAFYQPGX-JTQLQIEISA-N 1 2 217.696 1.230 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000362368994 534489631 /nfs/dbraw/zinc/48/96/31/534489631.db2.gz DODQLTDTKARYCR-ZJUUUORDSA-N 1 2 222.292 1.145 20 30 BDEDLO C=CC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263142340 534526482 /nfs/dbraw/zinc/52/64/82/534526482.db2.gz CKQASPFKXLFHMQ-JTQLQIEISA-N 1 2 244.285 1.408 20 30 BDEDLO C=CCC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000293203201 534540989 /nfs/dbraw/zinc/54/09/89/534540989.db2.gz LTGXNENWPDHVIE-UHFFFAOYSA-N 1 2 221.304 1.937 20 30 BDEDLO C=CCCC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000355998446 534639107 /nfs/dbraw/zinc/63/91/07/534639107.db2.gz KFWWKQFQYNIZBD-UHFFFAOYSA-N 1 2 219.288 1.772 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C)C[C@@H](C)C#N ZINC000214749536 582852111 /nfs/dbraw/zinc/85/21/11/582852111.db2.gz SXQACGFDUMKAGQ-QFQXNISHSA-N 1 2 210.277 1.197 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C)C[C@@H](C)C#N ZINC000214749536 582852113 /nfs/dbraw/zinc/85/21/13/582852113.db2.gz SXQACGFDUMKAGQ-QFQXNISHSA-N 1 2 210.277 1.197 20 30 BDEDLO C=CCCCNC(=O)NCc1c[nH+]cn1C ZINC000358117195 534728004 /nfs/dbraw/zinc/72/80/04/534728004.db2.gz HZSUFRBFNGYWST-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000121133433 534816630 /nfs/dbraw/zinc/81/66/30/534816630.db2.gz QKMJGVKFQCWIHN-LLVKDONJSA-N 1 2 243.314 1.841 20 30 BDEDLO C=CC[N@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000121133433 534816633 /nfs/dbraw/zinc/81/66/33/534816633.db2.gz QKMJGVKFQCWIHN-LLVKDONJSA-N 1 2 243.314 1.841 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@@H](CC(C)C)C(=O)OC ZINC000352411954 534836216 /nfs/dbraw/zinc/83/62/16/534836216.db2.gz ANAWKFWYMXDXLG-LBPRGKRZSA-N 1 2 243.347 1.709 20 30 BDEDLO C=CC[N@H+](CCOC)[C@@H](CC(C)C)C(=O)OC ZINC000352411954 534836219 /nfs/dbraw/zinc/83/62/19/534836219.db2.gz ANAWKFWYMXDXLG-LBPRGKRZSA-N 1 2 243.347 1.709 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](CC(C)C)C(=O)OC ZINC000352411953 534837008 /nfs/dbraw/zinc/83/70/08/534837008.db2.gz ANAWKFWYMXDXLG-GFCCVEGCSA-N 1 2 243.347 1.709 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](CC(C)C)C(=O)OC ZINC000352411953 534837012 /nfs/dbraw/zinc/83/70/12/534837012.db2.gz ANAWKFWYMXDXLG-GFCCVEGCSA-N 1 2 243.347 1.709 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc[nH+]c(C(C)C)n1 ZINC000340892757 534888596 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/nfs/dbraw/zinc/86/34/04/526863404.db2.gz MYBONZKIURUPNX-UHFFFAOYSA-N 1 2 246.354 1.203 20 30 BDEDLO C=CC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492859217 526958468 /nfs/dbraw/zinc/95/84/68/526958468.db2.gz GGVUPZKXFVMNBB-ONEGZZNKSA-N 1 2 231.299 1.848 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000491661429 527202340 /nfs/dbraw/zinc/20/23/40/527202340.db2.gz KSTXOKAFBBFHGV-GFCCVEGCSA-N 1 2 248.330 1.326 20 30 BDEDLO C#C[C@H](CCC)NC(=O)Nc1cc[nH+]cc1C ZINC000491220185 527369027 /nfs/dbraw/zinc/36/90/27/527369027.db2.gz LDODKZHYKJZJAH-LLVKDONJSA-N 1 2 231.299 1.735 20 30 BDEDLO CCC[C@H](C#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493445735 527968099 /nfs/dbraw/zinc/96/80/99/527968099.db2.gz AFPOJKNPRNBKOP-XNPJLODASA-N 1 2 218.260 1.231 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493456201 528686005 /nfs/dbraw/zinc/68/60/05/528686005.db2.gz RWYLABNDCUQXIS-ORAHPGNNSA-N 1 2 232.287 1.431 20 30 BDEDLO CC(C)N1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000336249191 535201590 /nfs/dbraw/zinc/20/15/90/535201590.db2.gz RVDUOUREZGISIA-NWDGAFQWSA-N 1 2 235.331 1.231 20 30 BDEDLO CC(C)N1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000336249191 535201592 /nfs/dbraw/zinc/20/15/92/535201592.db2.gz RVDUOUREZGISIA-NWDGAFQWSA-N 1 2 235.331 1.231 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(CCOC)c1 ZINC000273817755 536057099 /nfs/dbraw/zinc/05/70/99/536057099.db2.gz CFZLQDCDGDCYPB-GFCCVEGCSA-N 1 2 236.319 1.311 20 30 BDEDLO C=C[C@H]([NH2+]CC12CCC(CC1)C2)C(=O)OC ZINC000309977896 566268241 /nfs/dbraw/zinc/26/82/41/566268241.db2.gz UQQKCOLPKWGXQF-AKJDGMEZSA-N 1 2 223.316 1.884 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccnc(OC)c1F ZINC000894058921 583291957 /nfs/dbraw/zinc/29/19/57/583291957.db2.gz AVJZTPSVYIULGV-SECBINFHSA-N 1 2 222.263 1.683 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccnc(OC)c1F ZINC000894058921 583291960 /nfs/dbraw/zinc/29/19/60/583291960.db2.gz AVJZTPSVYIULGV-SECBINFHSA-N 1 2 222.263 1.683 20 30 BDEDLO COC(=O)[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000852998240 588714887 /nfs/dbraw/zinc/71/48/87/588714887.db2.gz JEVQSFYEYYAQPZ-XXLUSTPNSA-N 1 2 233.267 1.763 20 30 BDEDLO c1[nH+]c2n(c1CN=Nc1ncccn1)CCC2 ZINC000853290096 588731068 /nfs/dbraw/zinc/73/10/68/588731068.db2.gz VOCGNWIJCAREIR-UHFFFAOYSA-N 1 2 228.259 1.065 20 30 BDEDLO CC(C)n1cc[nH+]c1CN=Nc1cncnc1 ZINC000853343751 588735534 /nfs/dbraw/zinc/73/55/34/588735534.db2.gz RFMBKTOXMNQIPD-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@H](C)C(F)(F)F)n1C ZINC000853354123 588737235 /nfs/dbraw/zinc/73/72/35/588737235.db2.gz WDMWDVVVTKNFCC-ZCFIWIBFSA-N 1 2 234.225 1.603 20 30 BDEDLO CC1(C)OCC[C@H]1NN=Cc1c[nH+]c2n1CCC2 ZINC000853355362 588737457 /nfs/dbraw/zinc/73/74/57/588737457.db2.gz CHFQCGYJMLVMHZ-LLVKDONJSA-N 1 2 248.330 1.320 20 30 BDEDLO COc1ncnc(N)c1C=[NH+]N1CCCC[C@H]1C ZINC000853379749 588739423 /nfs/dbraw/zinc/73/94/23/588739423.db2.gz MGYOWQRWQUPGJB-SECBINFHSA-N 1 2 249.318 1.276 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853525602 588747818 /nfs/dbraw/zinc/74/78/18/588747818.db2.gz GVLHQPIUUPFGCS-SNVBAGLBSA-N 1 2 249.274 1.374 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853525602 588747819 /nfs/dbraw/zinc/74/78/19/588747819.db2.gz GVLHQPIUUPFGCS-SNVBAGLBSA-N 1 2 249.274 1.374 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853525601 588747916 /nfs/dbraw/zinc/74/79/16/588747916.db2.gz GVLHQPIUUPFGCS-JTQLQIEISA-N 1 2 249.274 1.374 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853525601 588747917 /nfs/dbraw/zinc/74/79/17/588747917.db2.gz GVLHQPIUUPFGCS-JTQLQIEISA-N 1 2 249.274 1.374 20 30 BDEDLO C=CC[N@H+](CN1CC[C@@H](C)C1=O)[C@@H](C)COC ZINC000853534375 588747925 /nfs/dbraw/zinc/74/79/25/588747925.db2.gz KAYYZLPIFJVSGO-NEPJUHHUSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@@H+](CN1CC[C@@H](C)C1=O)[C@@H](C)COC ZINC000853534375 588747926 /nfs/dbraw/zinc/74/79/26/588747926.db2.gz KAYYZLPIFJVSGO-NEPJUHHUSA-N 1 2 240.347 1.335 20 30 BDEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1=O ZINC000853575800 588749331 /nfs/dbraw/zinc/74/93/31/588749331.db2.gz KCKXVKRHIYUOBT-ZYHUDNBSSA-N 1 2 229.283 1.019 20 30 BDEDLO N#Cc1cccn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1=O ZINC000853575800 588749332 /nfs/dbraw/zinc/74/93/32/588749332.db2.gz KCKXVKRHIYUOBT-ZYHUDNBSSA-N 1 2 229.283 1.019 20 30 BDEDLO CC(C)OCC(N)=[NH+]OCC1(CC#N)CC1 ZINC000853658743 588753037 /nfs/dbraw/zinc/75/30/37/588753037.db2.gz PMEKXKOEFCIRLI-UHFFFAOYSA-N 1 2 225.292 1.604 20 30 BDEDLO C#C[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000853660259 588753411 /nfs/dbraw/zinc/75/34/11/588753411.db2.gz ZHSZYFXYVKAXRB-VIFPVBQESA-N 1 2 205.261 1.006 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@@H](O)C1 ZINC000853674776 588754793 /nfs/dbraw/zinc/75/47/93/588754793.db2.gz IMGPLEDMHXXFKI-TXEJJXNPSA-N 1 2 246.310 1.809 20 30 BDEDLO C#CCOCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000853675414 588755026 /nfs/dbraw/zinc/75/50/26/588755026.db2.gz UNVINRMXGGKUTR-NSHDSACASA-N 1 2 242.319 1.196 20 30 BDEDLO N#CCC1(CO[NH+]=C(N)[C@H]2CCCO2)CC1 ZINC000853697314 588757481 /nfs/dbraw/zinc/75/74/81/588757481.db2.gz GIHIKAGLQHKDFL-SECBINFHSA-N 1 2 223.276 1.358 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000853728508 588759772 /nfs/dbraw/zinc/75/97/72/588759772.db2.gz MBZMQFKCYFAHFD-VIFPVBQESA-N 1 2 248.710 1.290 20 30 BDEDLO C=C[C@H](C)ONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000854219053 588780064 /nfs/dbraw/zinc/78/00/64/588780064.db2.gz CASWMESLOATFDB-QMMMGPOBSA-N 1 2 224.264 1.057 20 30 BDEDLO C=C[C@H](C)ONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000854219053 588780065 /nfs/dbraw/zinc/78/00/65/588780065.db2.gz CASWMESLOATFDB-QMMMGPOBSA-N 1 2 224.264 1.057 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000854699010 588803111 /nfs/dbraw/zinc/80/31/11/588803111.db2.gz NJUMWWBBIWLDTN-RISCZKNCSA-N 1 2 245.326 1.364 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000890553422 582475216 /nfs/dbraw/zinc/47/52/16/582475216.db2.gz ZYTPYUVUMMRICA-JTQLQIEISA-N 1 2 219.288 1.140 20 30 BDEDLO C#CCCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000859668767 582490308 /nfs/dbraw/zinc/49/03/08/582490308.db2.gz HQLZSEFRMMJVBF-LBPRGKRZSA-N 1 2 245.326 1.284 20 30 BDEDLO C=CCCSCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855383548 588830366 /nfs/dbraw/zinc/83/03/66/588830366.db2.gz YXBWMXOYLBFFPP-UHFFFAOYSA-N 1 2 239.344 1.378 20 30 BDEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)o1 ZINC000891715567 582712786 /nfs/dbraw/zinc/71/27/86/582712786.db2.gz FGSNRTVOPVJPNN-VIFPVBQESA-N 1 2 208.261 1.880 20 30 BDEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000891715567 582712788 /nfs/dbraw/zinc/71/27/88/582712788.db2.gz FGSNRTVOPVJPNN-VIFPVBQESA-N 1 2 208.261 1.880 20 30 BDEDLO N#CCN(Cc1[nH+]ccn1C1CC1)C1CC1 ZINC000891795416 582723197 /nfs/dbraw/zinc/72/31/97/582723197.db2.gz LPCMFGKNERDMGD-UHFFFAOYSA-N 1 2 216.288 1.706 20 30 BDEDLO COc1cccc(N=NCc2c[nH+]cn2C)n1 ZINC000779819190 582744106 /nfs/dbraw/zinc/74/41/06/582744106.db2.gz KNMWTSBRUKTRBW-UHFFFAOYSA-N 1 2 231.259 1.270 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H]1C[C@@]1(C)Br ZINC000892058877 582779131 /nfs/dbraw/zinc/77/91/31/582779131.db2.gz LSZCNULVAHHBMX-GHMZBOCLSA-N 1 2 240.144 1.728 20 30 BDEDLO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000851974236 582988286 /nfs/dbraw/zinc/98/82/86/582988286.db2.gz VXIWLZXZSHYUGW-GMTAPVOTSA-N 1 2 212.268 1.491 20 30 BDEDLO CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000851974236 582988289 /nfs/dbraw/zinc/98/82/89/582988289.db2.gz VXIWLZXZSHYUGW-GMTAPVOTSA-N 1 2 212.268 1.491 20 30 BDEDLO C=CCN(c1cc(NC)[nH+]cn1)C1CC1 ZINC000893095085 583048640 /nfs/dbraw/zinc/04/86/40/583048640.db2.gz FYUIVXPADSWJNF-UHFFFAOYSA-N 1 2 204.277 1.673 20 30 BDEDLO C=CCN(c1cc(NC)nc[nH+]1)C1CC1 ZINC000893095085 583048642 /nfs/dbraw/zinc/04/86/42/583048642.db2.gz FYUIVXPADSWJNF-UHFFFAOYSA-N 1 2 204.277 1.673 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(C)c1 ZINC000856727222 588875354 /nfs/dbraw/zinc/87/53/54/588875354.db2.gz YPUSNPJVBOUQBN-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccnc(C)c1 ZINC000856727222 588875355 /nfs/dbraw/zinc/87/53/55/588875355.db2.gz YPUSNPJVBOUQBN-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1CCCO1 ZINC000775792353 583104392 /nfs/dbraw/zinc/10/43/92/583104392.db2.gz FSWLHFLDCVLQNA-AGIUHOORSA-N 1 2 231.299 1.200 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000893545962 583161470 /nfs/dbraw/zinc/16/14/70/583161470.db2.gz YZNZCTOEZCMIAL-NSHDSACASA-N 1 2 232.331 1.932 20 30 BDEDLO C=CCCCNc1cc(N(C)C)nc[nH+]1 ZINC000893573228 583166114 /nfs/dbraw/zinc/16/61/14/583166114.db2.gz MJBXLNSFMLOQCX-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO C=CCCCNc1cc(N(C)C)[nH+]cn1 ZINC000893573228 583166115 /nfs/dbraw/zinc/16/61/15/583166115.db2.gz MJBXLNSFMLOQCX-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893922451 583248434 /nfs/dbraw/zinc/24/84/34/583248434.db2.gz DSWPWNFEZDJNQN-IUCAKERBSA-N 1 2 246.257 1.276 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893922451 583248435 /nfs/dbraw/zinc/24/84/35/583248435.db2.gz DSWPWNFEZDJNQN-IUCAKERBSA-N 1 2 246.257 1.276 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN(C)C[C@@H](C)C#N ZINC000893963060 583257157 /nfs/dbraw/zinc/25/71/57/583257157.db2.gz YOYPOLHIOHXJKV-VIFPVBQESA-N 1 2 218.304 1.564 20 30 BDEDLO C#C[C@H](CCC)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000857191770 588892361 /nfs/dbraw/zinc/89/23/61/588892361.db2.gz SDYVIURAIFFRTP-SNVBAGLBSA-N 1 2 233.315 1.605 20 30 BDEDLO N#CC1(CNCc2[nH+]ccn2C2CC2)CC1 ZINC000894205734 583345153 /nfs/dbraw/zinc/34/51/53/583345153.db2.gz YXBSHLIJYZLLBT-UHFFFAOYSA-N 1 2 216.288 1.611 20 30 BDEDLO N#CC1(C[NH2+]Cc2nccn2C2CC2)CC1 ZINC000894205734 583345156 /nfs/dbraw/zinc/34/51/56/583345156.db2.gz YXBSHLIJYZLLBT-UHFFFAOYSA-N 1 2 216.288 1.611 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878705416 583395087 /nfs/dbraw/zinc/39/50/87/583395087.db2.gz WXDPUHSPGSKBIJ-QWHCGFSZSA-N 1 2 235.327 1.422 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878705416 583395091 /nfs/dbraw/zinc/39/50/91/583395091.db2.gz WXDPUHSPGSKBIJ-QWHCGFSZSA-N 1 2 235.327 1.422 20 30 BDEDLO C=C(CC)C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000879948479 583451280 /nfs/dbraw/zinc/45/12/80/583451280.db2.gz KPVYARKOCSUQJT-OAHLLOKOSA-N 1 2 231.365 1.162 20 30 BDEDLO COC(=O)c1cc(C[NH2+]C[C@@H](C)C#N)cs1 ZINC000894453707 583461777 /nfs/dbraw/zinc/46/17/77/583461777.db2.gz WYIGEMDSKLWYRF-QMMMGPOBSA-N 1 2 238.312 1.784 20 30 BDEDLO C=CCCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000894511260 583475382 /nfs/dbraw/zinc/47/53/82/583475382.db2.gz KAXSEIHOMIRGGL-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO C=C[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894623149 583496187 /nfs/dbraw/zinc/49/61/87/583496187.db2.gz FJRGKCATDMZXGX-DTWKUNHWSA-N 1 2 208.261 1.094 20 30 BDEDLO C#CC[C@H](COC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894829787 583527026 /nfs/dbraw/zinc/52/70/26/583527026.db2.gz FJANWNMCSARSTH-GHMZBOCLSA-N 1 2 234.299 1.585 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(N(C)C)nc[nH+]1 ZINC000894830965 583527954 /nfs/dbraw/zinc/52/79/54/583527954.db2.gz WHAAIBVBHVDOIM-NSHDSACASA-N 1 2 248.330 1.383 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(N(C)C)[nH+]cn1 ZINC000894830965 583527956 /nfs/dbraw/zinc/52/79/56/583527956.db2.gz WHAAIBVBHVDOIM-NSHDSACASA-N 1 2 248.330 1.383 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000727256333 583625593 /nfs/dbraw/zinc/62/55/93/583625593.db2.gz XYQCFESLHIPPLK-UHFFFAOYSA-N 1 2 246.230 1.169 20 30 BDEDLO C=C(CC)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895254814 583633728 /nfs/dbraw/zinc/63/37/28/583633728.db2.gz JCGNLUQFNZSCRA-UHFFFAOYSA-N 1 2 222.292 1.186 20 30 BDEDLO Cc1n[nH]c(C[N@@H+]2CC[C@](C)(C#N)C2)c1C ZINC000895334942 583652879 /nfs/dbraw/zinc/65/28/79/583652879.db2.gz LYAQMRAGSVMRRF-GFCCVEGCSA-N 1 2 218.304 1.762 20 30 BDEDLO Cc1n[nH]c(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC000895334942 583652881 /nfs/dbraw/zinc/65/28/81/583652881.db2.gz LYAQMRAGSVMRRF-GFCCVEGCSA-N 1 2 218.304 1.762 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000895383569 583662877 /nfs/dbraw/zinc/66/28/77/583662877.db2.gz XTSICAXVGPVQIN-UHFFFAOYSA-N 1 2 246.310 1.512 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000883005390 583683610 /nfs/dbraw/zinc/68/36/10/583683610.db2.gz LXYFSHRITMLRLX-PWSUYJOCSA-N 1 2 236.315 1.874 20 30 BDEDLO C#CCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857948978 588924801 /nfs/dbraw/zinc/92/48/01/588924801.db2.gz UYBDRYGSZYQRPM-GFCCVEGCSA-N 1 2 245.326 1.508 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977170 588926871 /nfs/dbraw/zinc/92/68/71/588926871.db2.gz SOGFUWFVCWBXJE-VIFPVBQESA-N 1 2 219.288 1.656 20 30 BDEDLO C=CCOCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857998614 588930454 /nfs/dbraw/zinc/93/04/54/588930454.db2.gz WXYXRIQUSLCDPQ-UHFFFAOYSA-N 1 2 247.298 1.351 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C#N)C2)n1 ZINC000896505123 583807959 /nfs/dbraw/zinc/80/79/59/583807959.db2.gz XLPZXFGVSSYXJM-NSHDSACASA-N 1 2 231.299 1.831 20 30 BDEDLO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C#N)C2)n1 ZINC000896505123 583807961 /nfs/dbraw/zinc/80/79/61/583807961.db2.gz XLPZXFGVSSYXJM-NSHDSACASA-N 1 2 231.299 1.831 20 30 BDEDLO C#CC1(O)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000896768452 583832237 /nfs/dbraw/zinc/83/22/37/583832237.db2.gz PTBFTLWOZSOPOU-UHFFFAOYSA-N 1 2 245.326 1.366 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000897167156 583887568 /nfs/dbraw/zinc/88/75/68/583887568.db2.gz HPDHRMLPIDWPAY-UHFFFAOYSA-N 1 2 233.315 1.172 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000897167156 583887569 /nfs/dbraw/zinc/88/75/69/583887569.db2.gz HPDHRMLPIDWPAY-UHFFFAOYSA-N 1 2 233.315 1.172 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CC/N=C/c1ccccc1O ZINC000729148883 583960997 /nfs/dbraw/zinc/96/09/97/583960997.db2.gz FRVXKUSEWMKUOY-JXCQQFQQSA-N 1 2 248.326 1.532 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CC/N=C/c1ccccc1O ZINC000729148883 583960999 /nfs/dbraw/zinc/96/09/99/583960999.db2.gz FRVXKUSEWMKUOY-JXCQQFQQSA-N 1 2 248.326 1.532 20 30 BDEDLO C[C@]1(C#N)C[N@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000897585205 584021822 /nfs/dbraw/zinc/02/18/22/584021822.db2.gz RSUVPTYNNSFSOJ-OLZOCXBDSA-N 1 2 220.316 1.957 20 30 BDEDLO C[C@]1(C#N)C[N@@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000897585205 584021825 /nfs/dbraw/zinc/02/18/25/584021825.db2.gz RSUVPTYNNSFSOJ-OLZOCXBDSA-N 1 2 220.316 1.957 20 30 BDEDLO C#CC1(O)C[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000898144103 584086273 /nfs/dbraw/zinc/08/62/73/584086273.db2.gz OIJMCPFGONSGOJ-GFCCVEGCSA-N 1 2 243.306 1.233 20 30 BDEDLO CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214206 584116512 /nfs/dbraw/zinc/11/65/12/584116512.db2.gz LPJJOWNDAVCTPZ-ONGXEEELSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@]1(C#N)CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858482788 588959087 /nfs/dbraw/zinc/95/90/87/588959087.db2.gz WIYWSMMZZKYDFC-CYBMUJFWSA-N 1 2 231.299 1.704 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898613004 584146342 /nfs/dbraw/zinc/14/63/42/584146342.db2.gz WNVHDURKADNORF-LBPRGKRZSA-N 1 2 246.314 1.117 20 30 BDEDLO C=CCN(C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000898627508 584147154 /nfs/dbraw/zinc/14/71/54/584147154.db2.gz LZQHNTGCISWQTH-UHFFFAOYSA-N 1 2 234.303 1.280 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)NCc1cn(C)c[nH+]1 ZINC000898618960 584147613 /nfs/dbraw/zinc/14/76/13/584147613.db2.gz FWOWQMKDZXAWSN-UHFFFAOYSA-N 1 2 249.318 1.111 20 30 BDEDLO C#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC000899224786 584184322 /nfs/dbraw/zinc/18/43/22/584184322.db2.gz UUIFXSSDXIKAOT-GHMZBOCLSA-N 1 2 243.310 1.575 20 30 BDEDLO C#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC000899224786 584184324 /nfs/dbraw/zinc/18/43/24/584184324.db2.gz UUIFXSSDXIKAOT-GHMZBOCLSA-N 1 2 243.310 1.575 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000899900225 584249090 /nfs/dbraw/zinc/24/90/90/584249090.db2.gz MIMKKAWULMRTOZ-CYBMUJFWSA-N 1 2 244.294 1.170 20 30 BDEDLO C=CC1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900654865 584336492 /nfs/dbraw/zinc/33/64/92/584336492.db2.gz DUJYQWQYZFMEJQ-UHFFFAOYSA-N 1 2 245.326 1.918 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CCOC1 ZINC000901333685 584425573 /nfs/dbraw/zinc/42/55/73/584425573.db2.gz KFOCLVAVQSWICP-VIFPVBQESA-N 1 2 220.276 1.027 20 30 BDEDLO C#CCCOC(=O)NCc1ccc[nH+]c1N(C)C ZINC000858902157 588983578 /nfs/dbraw/zinc/98/35/78/588983578.db2.gz YXRXOAFSTJJYEI-UHFFFAOYSA-N 1 2 247.298 1.397 20 30 BDEDLO Cn1nncc1C(=O)/C=C/c1cn(C2CC2)c[nH+]1 ZINC000901510844 584457155 /nfs/dbraw/zinc/45/71/55/584457155.db2.gz JSLVXCYEAYRBFC-GORDUTHDSA-N 1 2 243.270 1.243 20 30 BDEDLO CC(C)n1cc(C(=O)/C=C/c2cn(C)c[nH+]2)nn1 ZINC000901529612 584458825 /nfs/dbraw/zinc/45/88/25/584458825.db2.gz ZBLQFNJSEMZXJL-SNAWJCMRSA-N 1 2 245.286 1.489 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cc3n(n2)CCC3)c1 ZINC000901561340 584463088 /nfs/dbraw/zinc/46/30/88/584463088.db2.gz SFGUYOHKZRCKLB-SNAWJCMRSA-N 1 2 242.282 1.459 20 30 BDEDLO C=C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C(=O)OC ZINC000901662289 584477165 /nfs/dbraw/zinc/47/71/65/584477165.db2.gz JGINDLDCUCOBOO-JJOYANBFSA-N 1 2 239.315 1.261 20 30 BDEDLO CC(=NOCc1ccc(N)[nH+]c1)c1cnn(C)c1 ZINC000902228881 584541723 /nfs/dbraw/zinc/54/17/23/584541723.db2.gz SAZUKIVXHJJPFN-UHFFFAOYSA-N 1 2 245.286 1.338 20 30 BDEDLO C=CCCC[N@@H+](CC)Cn1nc(C)n(C)c1=O ZINC000902668740 584654439 /nfs/dbraw/zinc/65/44/39/584654439.db2.gz FVSFOSIDSBNXHS-UHFFFAOYSA-N 1 2 238.335 1.136 20 30 BDEDLO C=CCCC[N@H+](CC)Cn1nc(C)n(C)c1=O ZINC000902668740 584654441 /nfs/dbraw/zinc/65/44/41/584654441.db2.gz FVSFOSIDSBNXHS-UHFFFAOYSA-N 1 2 238.335 1.136 20 30 BDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000009 584715628 /nfs/dbraw/zinc/71/56/28/584715628.db2.gz CBZWBOFIZPADJV-GHMZBOCLSA-N 1 2 241.310 1.181 20 30 BDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](F)C1 ZINC000903000009 584715629 /nfs/dbraw/zinc/71/56/29/584715629.db2.gz CBZWBOFIZPADJV-GHMZBOCLSA-N 1 2 241.310 1.181 20 30 BDEDLO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)nn1C ZINC000903106023 584728092 /nfs/dbraw/zinc/72/80/92/584728092.db2.gz LHCJSTIGLHYAOY-SNVBAGLBSA-N 1 2 218.304 1.683 20 30 BDEDLO CCCCN(O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000904212126 584854485 /nfs/dbraw/zinc/85/44/85/584854485.db2.gz KEXFQEOAHKILSP-SNVBAGLBSA-N 1 2 237.303 1.463 20 30 BDEDLO C#CCCOC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000859180492 589015052 /nfs/dbraw/zinc/01/50/52/589015052.db2.gz HPODZQRHPXCDKZ-UWVGGRQHSA-N 1 2 233.271 1.638 20 30 BDEDLO CC(=[NH+]N(C)[C@@H](C)CO)c1cc(N)ccc1F ZINC000842538674 584900370 /nfs/dbraw/zinc/90/03/70/584900370.db2.gz NKQDWBLTHUWKHH-QMMMGPOBSA-N 1 2 239.294 1.445 20 30 BDEDLO C[C@H](NN=Cc1c[nH+]cn1C)C(F)(F)F ZINC000835003394 584917451 /nfs/dbraw/zinc/91/74/51/584917451.db2.gz XZQWKQFNBRUSBE-LURJTMIESA-N 1 2 220.198 1.294 20 30 BDEDLO COCCON=Cc1c[nH+]c2ccc(C)cn12 ZINC000755757771 584980399 /nfs/dbraw/zinc/98/03/99/584980399.db2.gz JPBGVLJPYBRWTR-UHFFFAOYSA-N 1 2 233.271 1.640 20 30 BDEDLO C[C@@H](C#N)CNN=Cc1cccc2[nH+]ccn21 ZINC000771107433 584999715 /nfs/dbraw/zinc/99/97/15/584999715.db2.gz NIFKEYNUPOCWQF-JTQLQIEISA-N 1 2 227.271 1.417 20 30 BDEDLO C[C@H](C#N)CNN=Cc1cccc2[nH+]ccn21 ZINC000771107434 584999774 /nfs/dbraw/zinc/99/97/74/584999774.db2.gz NIFKEYNUPOCWQF-SNVBAGLBSA-N 1 2 227.271 1.417 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OC ZINC000839167367 585095307 /nfs/dbraw/zinc/09/53/07/585095307.db2.gz FNNMSCOLIRYIRZ-JQWIXIFHSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CCC1CC1)C(=O)OC ZINC000839166983 585095377 /nfs/dbraw/zinc/09/53/77/585095377.db2.gz CCEAKZRYRTXCJT-CMPLNLGQSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CCc1ccco1)C(=O)OC ZINC000839167223 585095432 /nfs/dbraw/zinc/09/54/32/585095432.db2.gz CYYIXHHAELSGKQ-WCQYABFASA-N 1 2 249.310 1.755 20 30 BDEDLO C#CC[C@H]([NH2+]CC1CCCCC1)C(=O)OC ZINC000839167524 585095451 /nfs/dbraw/zinc/09/54/51/585095451.db2.gz FGNFVRIDMRXACJ-LBPRGKRZSA-N 1 2 223.316 1.721 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CCC=C)C(=O)OC ZINC000839168000 585095649 /nfs/dbraw/zinc/09/56/49/585095649.db2.gz HTHOBSJGFPNNOW-WDEREUQCSA-N 1 2 209.289 1.496 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CC(C(C)C)C1)C(=O)OC ZINC000839168144 585095808 /nfs/dbraw/zinc/09/58/08/585095808.db2.gz JQBQJEPQOYYVEP-HTAVTVPLSA-N 1 2 223.316 1.576 20 30 BDEDLO C#CC[C@@H]([NH2+]CCCC(C)C)C(=O)OC ZINC000839170051 585095902 /nfs/dbraw/zinc/09/59/02/585095902.db2.gz XDVRTJUAJBAMQK-LLVKDONJSA-N 1 2 211.305 1.577 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](COC)CC(C)C)C(=O)OC ZINC000839170270 585096099 /nfs/dbraw/zinc/09/60/99/585096099.db2.gz YFNNCQNCMCSFCX-NEPJUHHUSA-N 1 2 241.331 1.202 20 30 BDEDLO C=C(Br)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000839197058 585098895 /nfs/dbraw/zinc/09/88/95/585098895.db2.gz SVJMJNOPCDGTHU-MRVPVSSYSA-N 1 2 244.136 1.979 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000744418981 585150089 /nfs/dbraw/zinc/15/00/89/585150089.db2.gz CELUPPAFQJOATH-LBPRGKRZSA-N 1 2 234.343 1.200 20 30 BDEDLO C#CCCOC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000859216275 589019885 /nfs/dbraw/zinc/01/98/85/589019885.db2.gz HUVANOHPLBAHET-UHFFFAOYSA-N 1 2 207.233 1.001 20 30 BDEDLO C#CCCOC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000859216275 589019887 /nfs/dbraw/zinc/01/98/87/589019887.db2.gz HUVANOHPLBAHET-UHFFFAOYSA-N 1 2 207.233 1.001 20 30 BDEDLO C=CCCCC(=O)OCc1c[nH+]cn1C ZINC000754686440 585289444 /nfs/dbraw/zinc/28/94/44/585289444.db2.gz ZZHYARAWOOMYBD-UHFFFAOYSA-N 1 2 208.261 1.820 20 30 BDEDLO Cc1ccn(C[NH+]2CCCC2)c(=O)c1C#N ZINC000758183538 585351175 /nfs/dbraw/zinc/35/11/75/585351175.db2.gz YHOCGXRJNJNOJO-UHFFFAOYSA-N 1 2 217.272 1.082 20 30 BDEDLO C#CCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000760261370 585387941 /nfs/dbraw/zinc/38/79/41/585387941.db2.gz KQJNMDYWIGFSDR-CYBMUJFWSA-N 1 2 245.326 1.850 20 30 BDEDLO C#CCCO[NH+]=C(N)c1cccc(F)c1 ZINC000760350379 585390972 /nfs/dbraw/zinc/39/09/72/585390972.db2.gz GYFUWJKSCSDZCD-UHFFFAOYSA-N 1 2 206.220 1.696 20 30 BDEDLO C#CCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000760350396 585391015 /nfs/dbraw/zinc/39/10/15/585391015.db2.gz HZLNHSVUVSKUAR-UHFFFAOYSA-N 1 2 220.247 1.794 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(O)cc1 ZINC000790299883 585393054 /nfs/dbraw/zinc/39/30/54/585393054.db2.gz LJMDQPIVMKVRIO-UHFFFAOYSA-N 1 2 216.244 1.572 20 30 BDEDLO Cc1nc(Nc2cnn(CC#N)c2)c(C)c(C)[nH+]1 ZINC000761887443 585422305 /nfs/dbraw/zinc/42/23/05/585422305.db2.gz ZLIGANBTRNGSKX-UHFFFAOYSA-N 1 2 242.286 1.866 20 30 BDEDLO C#CCCc1noc(CCn2cc[nH+]c2)n1 ZINC000762010169 585424136 /nfs/dbraw/zinc/42/41/36/585424136.db2.gz GEINDIPOUDIHRA-UHFFFAOYSA-N 1 2 216.244 1.075 20 30 BDEDLO C#CCN(c1cc(-n2cc[nH+]c2)ncn1)C1CC1 ZINC000763562413 585450641 /nfs/dbraw/zinc/45/06/41/585450641.db2.gz NNIXKZYSIAVLJX-UHFFFAOYSA-N 1 2 239.282 1.264 20 30 BDEDLO C#CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000765830999 585493020 /nfs/dbraw/zinc/49/30/20/585493020.db2.gz XRJWBUFWFJNIKW-NSHDSACASA-N 1 2 248.351 1.587 20 30 BDEDLO N#Cc1cc(Cl)nc(N=NCc2[nH]cc[nH+]2)c1 ZINC000768380701 585537419 /nfs/dbraw/zinc/53/74/19/585537419.db2.gz SVYKAIWBHQFFPN-UHFFFAOYSA-N 1 2 246.661 1.776 20 30 BDEDLO N#C[C@H]1C[N@H+](C[C@H]2CCCOC2)CCN1C1CC1 ZINC000768532216 585539883 /nfs/dbraw/zinc/53/98/83/585539883.db2.gz HTLMVXIKRREVNM-OCCSQVGLSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCN1C1CC1 ZINC000768532216 585539884 /nfs/dbraw/zinc/53/98/84/585539884.db2.gz HTLMVXIKRREVNM-OCCSQVGLSA-N 1 2 249.358 1.085 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(O)cccc1OC ZINC000769442854 585556273 /nfs/dbraw/zinc/55/62/73/585556273.db2.gz JZBYBLOVGRVQLQ-UHFFFAOYSA-N 1 2 229.279 1.469 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC000769977251 585568380 /nfs/dbraw/zinc/56/83/80/585568380.db2.gz BVJAQTIBIJXTCP-JTQLQIEISA-N 1 2 232.283 1.284 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC000769977251 585568381 /nfs/dbraw/zinc/56/83/81/585568381.db2.gz BVJAQTIBIJXTCP-JTQLQIEISA-N 1 2 232.283 1.284 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000770492516 585574795 /nfs/dbraw/zinc/57/47/95/585574795.db2.gz KLJOUFQKPFYNSF-SNVBAGLBSA-N 1 2 242.282 1.820 20 30 BDEDLO C=C(CC)C[N@H+](C)CCS(=O)(=O)CC ZINC000773494222 585638096 /nfs/dbraw/zinc/63/80/96/585638096.db2.gz IIEQFYDYFJFTAX-UHFFFAOYSA-N 1 2 219.350 1.319 20 30 BDEDLO C=C(CC)C[N@@H+](C)CCS(=O)(=O)CC ZINC000773494222 585638097 /nfs/dbraw/zinc/63/80/97/585638097.db2.gz IIEQFYDYFJFTAX-UHFFFAOYSA-N 1 2 219.350 1.319 20 30 BDEDLO C#CCOCCC(=O)OCc1c[nH+]ccc1OC ZINC000805516266 585661425 /nfs/dbraw/zinc/66/14/25/585661425.db2.gz HRSFVERWSVBLKZ-UHFFFAOYSA-N 1 2 249.266 1.173 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC000775184694 585672830 /nfs/dbraw/zinc/67/28/30/585672830.db2.gz XTWCYNKBVIJSDZ-SNVBAGLBSA-N 1 2 231.274 1.927 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000775184694 585672831 /nfs/dbraw/zinc/67/28/31/585672831.db2.gz XTWCYNKBVIJSDZ-SNVBAGLBSA-N 1 2 231.274 1.927 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(CC)o1)[C@H]1CCCO1 ZINC000775797838 585685038 /nfs/dbraw/zinc/68/50/38/585685038.db2.gz FGDWAEGHWPQEBA-VXGBXAGGSA-N 1 2 234.299 1.507 20 30 BDEDLO NC(=[NH+]OCCCO)c1ccc(Cl)cc1 ZINC000776298536 585694007 /nfs/dbraw/zinc/69/40/07/585694007.db2.gz ZOZCXBHOIOXSEI-UHFFFAOYSA-N 1 2 228.679 1.359 20 30 BDEDLO O=c1ccccn1N=Cc1cccc2[nH+]ccn21 ZINC000776786741 585705512 /nfs/dbraw/zinc/70/55/12/585705512.db2.gz IQQDXOKAFODFMD-UHFFFAOYSA-N 1 2 238.250 1.378 20 30 BDEDLO C=CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000777843619 585721349 /nfs/dbraw/zinc/72/13/49/585721349.db2.gz TZARBOCRIMAJRU-UHFFFAOYSA-N 1 2 215.256 1.592 20 30 BDEDLO C=C(C)C[N@@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000777959685 585724548 /nfs/dbraw/zinc/72/45/48/585724548.db2.gz YULKKDFUJDGMGN-UHFFFAOYSA-N 1 2 245.326 1.805 20 30 BDEDLO C=C(C)C[N@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000777959685 585724549 /nfs/dbraw/zinc/72/45/49/585724549.db2.gz YULKKDFUJDGMGN-UHFFFAOYSA-N 1 2 245.326 1.805 20 30 BDEDLO C=CC[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000778166090 585726732 /nfs/dbraw/zinc/72/67/32/585726732.db2.gz YQMDOZOOEQJFSH-UHFFFAOYSA-N 1 2 209.293 1.985 20 30 BDEDLO C=CC[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000778166090 585726733 /nfs/dbraw/zinc/72/67/33/585726733.db2.gz YQMDOZOOEQJFSH-UHFFFAOYSA-N 1 2 209.293 1.985 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)nc1 ZINC000779153083 585745668 /nfs/dbraw/zinc/74/56/68/585745668.db2.gz DUKHODCOTPPFCE-VIFPVBQESA-N 1 2 207.252 1.812 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)nc1 ZINC000779153083 585745669 /nfs/dbraw/zinc/74/56/69/585745669.db2.gz DUKHODCOTPPFCE-VIFPVBQESA-N 1 2 207.252 1.812 20 30 BDEDLO Cc1noc(C)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780556389 585781036 /nfs/dbraw/zinc/78/10/36/585781036.db2.gz YBTDDMSAGDPVQO-UHFFFAOYSA-N 1 2 242.282 1.848 20 30 BDEDLO O=C(NO)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000782170058 585808648 /nfs/dbraw/zinc/80/86/48/585808648.db2.gz UZDNJEHAVOPARK-LLVKDONJSA-N 1 2 238.262 1.296 20 30 BDEDLO O=C(NO)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000782170058 585808649 /nfs/dbraw/zinc/80/86/49/585808649.db2.gz UZDNJEHAVOPARK-LLVKDONJSA-N 1 2 238.262 1.296 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](CCN2CCOC2=O)C1 ZINC000784449564 585859948 /nfs/dbraw/zinc/85/99/48/585859948.db2.gz FSUKGYMJQRVYGS-LBPRGKRZSA-N 1 2 237.303 1.064 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000784449564 585859949 /nfs/dbraw/zinc/85/99/49/585859949.db2.gz FSUKGYMJQRVYGS-LBPRGKRZSA-N 1 2 237.303 1.064 20 30 BDEDLO C=CCC[N@@H+](C)Cn1ncn(CC)c1=S ZINC000786100604 585887129 /nfs/dbraw/zinc/88/71/29/585887129.db2.gz CMFBXISDRAJOKD-UHFFFAOYSA-N 1 2 226.349 1.899 20 30 BDEDLO C=CCC[N@H+](C)Cn1ncn(CC)c1=S ZINC000786100604 585887130 /nfs/dbraw/zinc/88/71/30/585887130.db2.gz CMFBXISDRAJOKD-UHFFFAOYSA-N 1 2 226.349 1.899 20 30 BDEDLO N#CCC[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000787300149 585906209 /nfs/dbraw/zinc/90/62/09/585906209.db2.gz FWIAPDCRYYSEEZ-UHFFFAOYSA-N 1 2 227.271 1.271 20 30 BDEDLO C#Cc1cccc(NC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000788271055 585920645 /nfs/dbraw/zinc/92/06/45/585920645.db2.gz JDSKETWXSVOHOO-UHFFFAOYSA-N 1 2 239.278 1.881 20 30 BDEDLO Cc1cccnc1N=NCc1[nH+]ccn1C ZINC000790191000 585960763 /nfs/dbraw/zinc/96/07/63/585960763.db2.gz OKFOGGXEGQKCNK-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(O)cc1O ZINC000790299348 585962799 /nfs/dbraw/zinc/96/27/99/585962799.db2.gz CNVCZTJXGZGQLL-UHFFFAOYSA-N 1 2 232.243 1.277 20 30 BDEDLO Cc1ncccc1C=NNc1[nH+]ccn1C ZINC000790300379 585962802 /nfs/dbraw/zinc/96/28/02/585962802.db2.gz WGKJHIYOZCQQBF-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(C#N)cc1 ZINC000790302272 585962978 /nfs/dbraw/zinc/96/29/78/585962978.db2.gz LOPDBDOUDAAAIA-UHFFFAOYSA-N 1 2 225.255 1.738 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1ncncc1F ZINC000793217571 586014324 /nfs/dbraw/zinc/01/43/24/586014324.db2.gz HPWBLVQKHSJLPX-UHFFFAOYSA-N 1 2 234.238 1.278 20 30 BDEDLO COCCCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000795042739 586066761 /nfs/dbraw/zinc/06/67/61/586066761.db2.gz WORZEJOMKKNDGP-UHFFFAOYSA-N 1 2 243.332 1.596 20 30 BDEDLO C=CCNC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796539683 586106473 /nfs/dbraw/zinc/10/64/73/586106473.db2.gz XNRRYONXTNXFKT-UHFFFAOYSA-N 1 2 218.247 1.020 20 30 BDEDLO C#CCN(CC#N)Cc1c(C)[nH+]c2ccccn21 ZINC000799201314 586167766 /nfs/dbraw/zinc/16/77/66/586167766.db2.gz WTWOVQVXSAWNHF-UHFFFAOYSA-N 1 2 238.294 1.602 20 30 BDEDLO C#CC[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000859379053 589034747 /nfs/dbraw/zinc/03/47/47/589034747.db2.gz KCPBDKYHWSDVRM-ZDUSSCGKSA-N 1 2 223.316 1.816 20 30 BDEDLO C#CC[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000859379053 589034749 /nfs/dbraw/zinc/03/47/49/589034749.db2.gz KCPBDKYHWSDVRM-ZDUSSCGKSA-N 1 2 223.316 1.816 20 30 BDEDLO CC(=NN[C@@H](C)CC#N)c1cn(C)c(C)[nH+]1 ZINC000800814523 586231351 /nfs/dbraw/zinc/23/13/51/586231351.db2.gz QSUSJVKKPWUHHA-QMMMGPOBSA-N 1 2 219.292 1.344 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2cccnn2)cn1C ZINC000800812620 586231421 /nfs/dbraw/zinc/23/14/21/586231421.db2.gz IFDYPLXBYCKZCB-UHFFFAOYSA-N 1 2 230.275 1.355 20 30 BDEDLO COCCCNN=C(C)c1cn(C)c(C)[nH+]1 ZINC000800817759 586232586 /nfs/dbraw/zinc/23/25/86/586232586.db2.gz UTYRYZKUGWKLGC-UHFFFAOYSA-N 1 2 224.308 1.079 20 30 BDEDLO CC(=N[N-]c1[nH+]ccn1C)c1cn(C)c(C)[nH+]1 ZINC000800817289 586233172 /nfs/dbraw/zinc/23/31/72/586233172.db2.gz KJLCZOOPGODHOK-UHFFFAOYSA-N 1 2 232.291 1.298 20 30 BDEDLO COC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)C(C)(C)C ZINC000801934984 586278914 /nfs/dbraw/zinc/27/89/14/586278914.db2.gz SYWUAUZQDXWKPW-ZJUUUORDSA-N 1 2 242.319 1.092 20 30 BDEDLO C[C@@H](C#N)OCCO[NH+]=C(N)c1ccccc1 ZINC000802725226 586311012 /nfs/dbraw/zinc/31/10/12/586311012.db2.gz OBDNNKLXKJSCGK-JTQLQIEISA-N 1 2 233.271 1.462 20 30 BDEDLO C[C@H]1CN(C[NH+]2CCC(C)(C#N)CC2)C(=O)[C@H]1C ZINC000840041784 586393990 /nfs/dbraw/zinc/39/39/90/586393990.db2.gz MBUQMDALRILHCO-RYUDHWBXSA-N 1 2 249.358 1.684 20 30 BDEDLO Cc1cc(N[NH+]=Cc2ccc(N)nc2)nc(C)n1 ZINC000807964057 586453531 /nfs/dbraw/zinc/45/35/31/586453531.db2.gz VEXNDWXFGIGSFB-UHFFFAOYSA-N 1 2 242.286 1.517 20 30 BDEDLO Nc1ccc(C=[NH+]Nc2ccc(F)cn2)cn1 ZINC000807971949 586453958 /nfs/dbraw/zinc/45/39/58/586453958.db2.gz FMANPYKTXQLAEQ-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO C#CCC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000810118986 586534887 /nfs/dbraw/zinc/53/48/87/586534887.db2.gz JXMKIYROLNPWHF-SNVBAGLBSA-N 1 2 237.303 1.669 20 30 BDEDLO C#CCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810229405 586537546 /nfs/dbraw/zinc/53/75/46/586537546.db2.gz CZKUSRDSOPVUDT-UHFFFAOYSA-N 1 2 242.282 1.869 20 30 BDEDLO COc1ccc(O)c(/C=N\Cc2c[nH+]cn2C)c1 ZINC000811624790 586561965 /nfs/dbraw/zinc/56/19/65/586561965.db2.gz RCBBBWMVBFCHAZ-NSIKDUERSA-N 1 2 245.282 1.753 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)CCCC#N ZINC000813087975 586591245 /nfs/dbraw/zinc/59/12/45/586591245.db2.gz FRXNRLZJBDVUNP-UHFFFAOYSA-N 1 2 221.260 1.200 20 30 BDEDLO C=C[C@@H](O)C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000814543816 586624165 /nfs/dbraw/zinc/62/41/65/586624165.db2.gz ICGBYYMTCDHDKU-LLVKDONJSA-N 1 2 246.266 1.233 20 30 BDEDLO CN(C)c1ncc(C=[NH+]Nc2ccccn2)cn1 ZINC000814731729 586631303 /nfs/dbraw/zinc/63/13/03/586631303.db2.gz HEIZBMAHAOAALO-UHFFFAOYSA-N 1 2 242.286 1.384 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1cc(C)ccn1 ZINC000814867542 586640757 /nfs/dbraw/zinc/64/07/57/586640757.db2.gz JJIMQIFUPLEWMV-UHFFFAOYSA-N 1 2 244.302 1.460 20 30 BDEDLO Cc1nocc1C=NNc1[nH+]ccn1C ZINC000814918214 586650695 /nfs/dbraw/zinc/65/06/95/586650695.db2.gz GUDRXVSFJYYKMC-UHFFFAOYSA-N 1 2 205.221 1.163 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000815700615 586692201 /nfs/dbraw/zinc/69/22/01/586692201.db2.gz NXVJGMVROSREJJ-VIFPVBQESA-N 1 2 232.274 1.360 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000815700615 586692203 /nfs/dbraw/zinc/69/22/03/586692203.db2.gz NXVJGMVROSREJJ-VIFPVBQESA-N 1 2 232.274 1.360 20 30 BDEDLO Cc1cc(NC(=O)c2ccc(C#N)o2)c(C)c[nH+]1 ZINC000815849155 586694993 /nfs/dbraw/zinc/69/49/93/586694993.db2.gz CEDXWBHGVNXDTM-UHFFFAOYSA-N 1 2 241.250 1.837 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)CC1(C#N)CC1 ZINC000816030185 586704749 /nfs/dbraw/zinc/70/47/49/586704749.db2.gz GRDLGUKKRBGFKE-UHFFFAOYSA-N 1 2 233.271 1.200 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccoc2)nn1 ZINC000818224132 586880381 /nfs/dbraw/zinc/88/03/81/586880381.db2.gz DONQYCFQNKNERK-UHFFFAOYSA-N 1 2 218.260 1.347 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cc(C)oc2C)nn1 ZINC000818224205 586880476 /nfs/dbraw/zinc/88/04/76/586880476.db2.gz GZNJPCXPMJMIAV-UHFFFAOYSA-N 1 2 246.314 1.964 20 30 BDEDLO N#CCC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000819328644 586952453 /nfs/dbraw/zinc/95/24/53/586952453.db2.gz HQVKFNJZAIOAHG-UHFFFAOYSA-N 1 2 227.271 1.271 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@H](C)CC#N ZINC000819808607 586996583 /nfs/dbraw/zinc/99/65/83/586996583.db2.gz DQUDBGZBWBFYTM-SNVBAGLBSA-N 1 2 219.292 1.690 20 30 BDEDLO COCCCNN=Cc1c[nH+]cn1C(C)C ZINC000819809919 586996697 /nfs/dbraw/zinc/99/66/97/586996697.db2.gz RRCRIIUTKMPLJG-UHFFFAOYSA-N 1 2 224.308 1.424 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNCC(F)(F)F ZINC000819811853 586997315 /nfs/dbraw/zinc/99/73/15/586997315.db2.gz FCVNTBPAGBVFCK-UHFFFAOYSA-N 1 2 234.225 1.950 20 30 BDEDLO C=C(C)CNN=Cc1c[nH+]cn1C(C)C ZINC000819813819 586997720 /nfs/dbraw/zinc/99/77/20/586997720.db2.gz UDTRDTSBZNIXJE-UHFFFAOYSA-N 1 2 206.293 1.964 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000820435328 587048885 /nfs/dbraw/zinc/04/88/85/587048885.db2.gz IEJMSYVSNBEZPO-MNOVXSKESA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000820435462 587048896 /nfs/dbraw/zinc/04/88/96/587048896.db2.gz JJECSZJZRXLOOP-MNOVXSKESA-N 1 2 246.314 1.668 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000820436063 587048999 /nfs/dbraw/zinc/04/89/99/587048999.db2.gz RVWUZEDKOPBICR-NSHDSACASA-N 1 2 246.314 1.251 20 30 BDEDLO CCn1cc(C(=O)/C=C/c2ccc(N)[nH+]c2)cn1 ZINC000821039137 587090705 /nfs/dbraw/zinc/09/07/05/587090705.db2.gz POQTXECJLVZKMQ-HWKANZROSA-N 1 2 242.282 1.776 20 30 BDEDLO CC(C)C#CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000822154825 587156827 /nfs/dbraw/zinc/15/68/27/587156827.db2.gz FGAULWPCVRPMST-NSHDSACASA-N 1 2 219.288 1.047 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)C(=O)OC ZINC000822489328 587171397 /nfs/dbraw/zinc/17/13/97/587171397.db2.gz AHIVNALNGSYUGG-KXUCPTDWSA-N 1 2 227.329 1.035 20 30 BDEDLO C=C[C@@H](C)ONC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824033485 587249908 /nfs/dbraw/zinc/24/99/08/587249908.db2.gz MYVBHWAIBOUILF-SSJHQANKSA-N 1 2 221.260 1.056 20 30 BDEDLO C=CC[N@@H+](Cc1nn(CC)nc1C)C1CC1 ZINC000824153697 587258291 /nfs/dbraw/zinc/25/82/91/587258291.db2.gz SXGIZVMRQGOAEU-UHFFFAOYSA-N 1 2 220.320 1.757 20 30 BDEDLO C=CC[N@H+](Cc1nn(CC)nc1C)C1CC1 ZINC000824153697 587258293 /nfs/dbraw/zinc/25/82/93/587258293.db2.gz SXGIZVMRQGOAEU-UHFFFAOYSA-N 1 2 220.320 1.757 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1nn(CC)nc1C ZINC000824363751 587267558 /nfs/dbraw/zinc/26/75/58/587267558.db2.gz IVOTWENRWFSDDX-JTQLQIEISA-N 1 2 206.293 1.108 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000824869838 587291266 /nfs/dbraw/zinc/29/12/66/587291266.db2.gz LYOWKXRNCMOHBO-NSHDSACASA-N 1 2 245.326 1.386 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC000825287958 587312868 /nfs/dbraw/zinc/31/28/68/587312868.db2.gz XDWOBMVOURFFOY-MLPAPPSSSA-N 1 2 232.327 1.286 20 30 BDEDLO C=CCOCCCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825312314 587314336 /nfs/dbraw/zinc/31/43/36/587314336.db2.gz IXZHGAWJMFZNOB-WAYWQWQTSA-N 1 2 249.314 1.142 20 30 BDEDLO CC(C)C[C@@H](C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825417055 587318881 /nfs/dbraw/zinc/31/88/81/587318881.db2.gz ITAHDQQAMHSOPA-VIFPVBQESA-N 1 2 220.276 1.007 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000826005591 587348242 /nfs/dbraw/zinc/34/82/42/587348242.db2.gz JNCHDCPDYCUSTM-OOPCZODUSA-N 1 2 244.298 1.195 20 30 BDEDLO C#CC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000826710832 587359777 /nfs/dbraw/zinc/35/97/77/587359777.db2.gz SEFSJSJMPWOFAY-UHFFFAOYSA-N 1 2 241.298 1.213 20 30 BDEDLO C[C@@H](C#N)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826717848 587360034 /nfs/dbraw/zinc/36/00/34/587360034.db2.gz KPXIZGWAUCZTAB-GXFFZTMASA-N 1 2 243.310 1.449 20 30 BDEDLO C[C@@H](C#N)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826717848 587360035 /nfs/dbraw/zinc/36/00/35/587360035.db2.gz KPXIZGWAUCZTAB-GXFFZTMASA-N 1 2 243.310 1.449 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000827424203 587380885 /nfs/dbraw/zinc/38/08/85/587380885.db2.gz YGNJFPCIFUIIOQ-NWDGAFQWSA-N 1 2 240.347 1.036 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000827424203 587380886 /nfs/dbraw/zinc/38/08/86/587380886.db2.gz YGNJFPCIFUIIOQ-NWDGAFQWSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000828995044 587478081 /nfs/dbraw/zinc/47/80/81/587478081.db2.gz LIIWTOOAZZQHDY-JTQLQIEISA-N 1 2 231.299 1.044 20 30 BDEDLO C#CCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000828995044 587478083 /nfs/dbraw/zinc/47/80/83/587478083.db2.gz LIIWTOOAZZQHDY-JTQLQIEISA-N 1 2 231.299 1.044 20 30 BDEDLO C#CC1CC[NH+](CC(=O)Nc2cc(C)on2)CC1 ZINC000830304891 587545273 /nfs/dbraw/zinc/54/52/73/587545273.db2.gz BETXODNVEFLLDG-UHFFFAOYSA-N 1 2 247.298 1.267 20 30 BDEDLO Cc1ccc(NC(=O)[C@@H](C)CC#N)c(N(C)C)[nH+]1 ZINC000830891489 587575145 /nfs/dbraw/zinc/57/51/45/587575145.db2.gz XIRDLBSJDNUDLD-VIFPVBQESA-N 1 2 246.314 1.944 20 30 BDEDLO C=C1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000830993886 587580546 /nfs/dbraw/zinc/58/05/46/587580546.db2.gz AVIKYIDHJXODOV-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO CC(C)C#CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831607793 587623348 /nfs/dbraw/zinc/62/33/48/587623348.db2.gz WILPALTYCKAFQN-LLVKDONJSA-N 1 2 231.299 1.733 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000832544309 587665382 /nfs/dbraw/zinc/66/53/82/587665382.db2.gz MWIQIOFEUWLUJE-JTQLQIEISA-N 1 2 245.754 1.475 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000832544309 587665384 /nfs/dbraw/zinc/66/53/84/587665384.db2.gz MWIQIOFEUWLUJE-JTQLQIEISA-N 1 2 245.754 1.475 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1CCn2ccnc21)[C@@H]1CCCO1 ZINC000834770539 587766553 /nfs/dbraw/zinc/76/65/53/587766553.db2.gz VIYWBYPHUUAXFF-TUAOUCFPSA-N 1 2 231.299 1.098 20 30 BDEDLO Cc1nc(C#N)c(N[NH2+]C=C2CC2(F)F)o1 ZINC000834941232 587772163 /nfs/dbraw/zinc/77/21/63/587772163.db2.gz FBVKLGRMTXBVBT-ZCFIWIBFSA-N 1 2 226.186 1.908 20 30 BDEDLO C#C[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000836407636 587832686 /nfs/dbraw/zinc/83/26/86/587832686.db2.gz QODMIKRLBWNAPC-JTQLQIEISA-N 1 2 231.299 1.519 20 30 BDEDLO C=CC(C)(C)CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836521696 587834632 /nfs/dbraw/zinc/83/46/32/587834632.db2.gz FETNKQUUQFJVMZ-JTQLQIEISA-N 1 2 248.330 1.839 20 30 BDEDLO C=CCCCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000837548083 587881555 /nfs/dbraw/zinc/88/15/55/587881555.db2.gz WOCUDLYCJKEFFT-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CCCCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000837548083 587881557 /nfs/dbraw/zinc/88/15/57/587881557.db2.gz WOCUDLYCJKEFFT-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000838001823 587908058 /nfs/dbraw/zinc/90/80/58/587908058.db2.gz LCNXIEBDWBRPCN-MNOVXSKESA-N 1 2 248.282 1.298 20 30 BDEDLO CC(C)(CN=Nc1ccncc1)[NH+]1CCOCC1 ZINC000841632221 587962479 /nfs/dbraw/zinc/96/24/79/587962479.db2.gz CJVFUKSCGKDJLH-UHFFFAOYSA-N 1 2 248.330 1.012 20 30 BDEDLO CCn1c[nH+]cc1C=NNCCOC(C)C ZINC000841634817 587963342 /nfs/dbraw/zinc/96/33/42/587963342.db2.gz ZJGZMQMMHLQAOV-UHFFFAOYSA-N 1 2 224.308 1.252 20 30 BDEDLO CCn1c[nH+]cc1C=NNc1ccc(OC)cn1 ZINC000841637853 587964088 /nfs/dbraw/zinc/96/40/88/587964088.db2.gz LEPFFYBQNBJXKM-UHFFFAOYSA-N 1 2 245.286 1.753 20 30 BDEDLO CCc1ncc(C=NNc2[nH+]ccn2C)cn1 ZINC000841637062 587964413 /nfs/dbraw/zinc/96/44/13/587964413.db2.gz SRWXAFQVSRTUHR-UHFFFAOYSA-N 1 2 230.275 1.219 20 30 BDEDLO C[C@@H](CO)N(C)N=C1CCc2ccc[nH+]c2CC1 ZINC000842539442 588037416 /nfs/dbraw/zinc/03/74/16/588037416.db2.gz WAZHENNTSDMXAA-NSHDSACASA-N 1 2 247.342 1.629 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000844321865 588184252 /nfs/dbraw/zinc/18/42/52/588184252.db2.gz VJYQWTQAVPAMAG-UHFFFAOYSA-N 1 2 217.316 1.673 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000844321865 588184254 /nfs/dbraw/zinc/18/42/54/588184254.db2.gz VJYQWTQAVPAMAG-UHFFFAOYSA-N 1 2 217.316 1.673 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C(F)=C1CCC1 ZINC000844526520 588200665 /nfs/dbraw/zinc/20/06/65/588200665.db2.gz GFXYEUFOJROBSA-GFCCVEGCSA-N 1 2 239.294 1.354 20 30 BDEDLO C=CCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280412 588225584 /nfs/dbraw/zinc/22/55/84/588225584.db2.gz BLJFOHICHNOALS-SNVBAGLBSA-N 1 2 208.261 1.954 20 30 BDEDLO C#CCNC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000105953007 588232412 /nfs/dbraw/zinc/23/24/12/588232412.db2.gz QHUJQGVCWGUOCL-UHFFFAOYSA-N 1 2 241.294 1.403 20 30 BDEDLO CC(C)(C)C#CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846246139 588262390 /nfs/dbraw/zinc/26/23/90/588262390.db2.gz FQBUIOZEOFVNBU-UHFFFAOYSA-N 1 2 233.315 1.811 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000846662706 588281398 /nfs/dbraw/zinc/28/13/98/588281398.db2.gz GDBLIHLUGNEZGD-UWVGGRQHSA-N 1 2 235.287 1.068 20 30 BDEDLO CC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000846941529 588297905 /nfs/dbraw/zinc/29/79/05/588297905.db2.gz SJLRZRDWMNORBR-UHFFFAOYSA-N 1 2 243.310 1.754 20 30 BDEDLO CON1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846971744 588299024 /nfs/dbraw/zinc/29/90/24/588299024.db2.gz NXWQEOZNEBTLFQ-UHFFFAOYSA-N 1 2 231.299 1.237 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(CC)s2)C1 ZINC000847021060 588302469 /nfs/dbraw/zinc/30/24/69/588302469.db2.gz IHJKRPBGMOFQFZ-JTQLQIEISA-N 1 2 235.356 1.946 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(CC)s2)C1 ZINC000847021060 588302470 /nfs/dbraw/zinc/30/24/70/588302470.db2.gz IHJKRPBGMOFQFZ-JTQLQIEISA-N 1 2 235.356 1.946 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000847022579 588303414 /nfs/dbraw/zinc/30/34/14/588303414.db2.gz VBNCQDSNSDHDMU-LLVKDONJSA-N 1 2 247.346 1.273 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000847022579 588303415 /nfs/dbraw/zinc/30/34/15/588303415.db2.gz VBNCQDSNSDHDMU-LLVKDONJSA-N 1 2 247.346 1.273 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000847029420 588304218 /nfs/dbraw/zinc/30/42/18/588304218.db2.gz KBARXHQGDWNLJB-JTQLQIEISA-N 1 2 249.339 1.427 20 30 BDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000847029420 588304219 /nfs/dbraw/zinc/30/42/19/588304219.db2.gz KBARXHQGDWNLJB-JTQLQIEISA-N 1 2 249.339 1.427 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000847038879 588304652 /nfs/dbraw/zinc/30/46/52/588304652.db2.gz ZBLJGLZOHWXMDS-QMMMGPOBSA-N 1 2 241.241 1.852 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000847038879 588304653 /nfs/dbraw/zinc/30/46/53/588304653.db2.gz ZBLJGLZOHWXMDS-QMMMGPOBSA-N 1 2 241.241 1.852 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cncnc1C ZINC000848410273 588380104 /nfs/dbraw/zinc/38/01/04/588380104.db2.gz JPLDLIJLUKTUHK-UHFFFAOYSA-N 1 2 230.275 1.355 20 30 BDEDLO C[C@@H]1C(=NNCCCn2cc[nH+]c2)CO[C@H]1C ZINC000848416147 588381122 /nfs/dbraw/zinc/38/11/22/588381122.db2.gz ARMQSSMYHNYGII-QWRGUYRKSA-N 1 2 236.319 1.274 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1cnoc1C ZINC000848417103 588381357 /nfs/dbraw/zinc/38/13/57/588381357.db2.gz KVBKMIQHANAYTD-UHFFFAOYSA-N 1 2 247.302 1.583 20 30 BDEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)sn1 ZINC000848416928 588381721 /nfs/dbraw/zinc/38/17/21/588381721.db2.gz DGQGXWCKVAGGRO-UHFFFAOYSA-N 1 2 249.343 1.662 20 30 BDEDLO C[C@H]1C[C@H]1CN=NCCCn1cc[nH+]c1 ZINC000848418350 588382482 /nfs/dbraw/zinc/38/24/82/588382482.db2.gz MJLNOSXTDQKEHM-QWRGUYRKSA-N 1 2 206.293 1.505 20 30 BDEDLO N#Cc1nccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000848675785 588405129 /nfs/dbraw/zinc/40/51/29/588405129.db2.gz DFGLROPIQHEWSR-SECBINFHSA-N 1 2 240.270 1.413 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(Cl)n1C ZINC000848901817 588417477 /nfs/dbraw/zinc/41/74/77/588417477.db2.gz DGGLHUPNYTYFEA-ZETCQYMHSA-N 1 2 212.684 1.323 20 30 BDEDLO C#CCOCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000851731970 588619552 /nfs/dbraw/zinc/61/95/52/588619552.db2.gz FQASDIQHRCPZCA-LBPRGKRZSA-N 1 2 233.315 1.239 20 30 BDEDLO C#CCOCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000851731970 588619553 /nfs/dbraw/zinc/61/95/53/588619553.db2.gz FQASDIQHRCPZCA-LBPRGKRZSA-N 1 2 233.315 1.239 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851793477 588629105 /nfs/dbraw/zinc/62/91/05/588629105.db2.gz FEXWOUKNUWULMK-MELADBBJSA-N 1 2 244.338 1.002 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncc(CC)s1 ZINC000851796974 588630005 /nfs/dbraw/zinc/63/00/05/588630005.db2.gz GYMGVBAXEJDOFX-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncc(CC)s1 ZINC000851796974 588630006 /nfs/dbraw/zinc/63/00/06/588630006.db2.gz GYMGVBAXEJDOFX-UHFFFAOYSA-N 1 2 238.356 1.787 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(CC)[nH]1)[C@@H]1CCCO1 ZINC000851951208 588647030 /nfs/dbraw/zinc/64/70/30/588647030.db2.gz WEUFTLZPQBFSGI-DCAQKATOSA-N 1 2 248.330 1.199 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1COC(C)(C)O1 ZINC000852075143 588659866 /nfs/dbraw/zinc/65/98/66/588659866.db2.gz IQJLKSWKLWQZSW-LLVKDONJSA-N 1 2 224.304 1.540 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1COC(C)(C)O1 ZINC000852075143 588659867 /nfs/dbraw/zinc/65/98/67/588659867.db2.gz IQJLKSWKLWQZSW-LLVKDONJSA-N 1 2 224.304 1.540 20 30 BDEDLO C#CCOCC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000852088848 588661033 /nfs/dbraw/zinc/66/10/33/588661033.db2.gz OOHUPMXRNLSDJA-ZDUSSCGKSA-N 1 2 249.314 1.243 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nccc(N)n1 ZINC000852103784 588663624 /nfs/dbraw/zinc/66/36/24/588663624.db2.gz QTJBCHPLIXKUKS-SKDRFNHKSA-N 1 2 218.304 1.511 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nn(C)cc1Cl ZINC000852105304 588664257 /nfs/dbraw/zinc/66/42/57/588664257.db2.gz UWESNHHMRZHOBJ-NSHDSACASA-N 1 2 225.723 1.965 20 30 BDEDLO C#CCOCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000852218149 588673552 /nfs/dbraw/zinc/67/35/52/588673552.db2.gz QZYPFDWORGMVLG-UHFFFAOYSA-N 1 2 244.294 1.091 20 30 BDEDLO C#CCOCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000852218149 588673553 /nfs/dbraw/zinc/67/35/53/588673553.db2.gz QZYPFDWORGMVLG-UHFFFAOYSA-N 1 2 244.294 1.091 20 30 BDEDLO C=CC[N@@H+](Cc1cnn(CC)n1)[C@H](C)COC ZINC000852356909 588679598 /nfs/dbraw/zinc/67/95/98/588679598.db2.gz RIYUPKCUJZJFGZ-LLVKDONJSA-N 1 2 238.335 1.321 20 30 BDEDLO C=CC[N@H+](Cc1cnn(CC)n1)[C@H](C)COC ZINC000852356909 588679599 /nfs/dbraw/zinc/67/95/99/588679599.db2.gz RIYUPKCUJZJFGZ-LLVKDONJSA-N 1 2 238.335 1.321 20 30 BDEDLO C#CCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000852578769 588691481 /nfs/dbraw/zinc/69/14/81/588691481.db2.gz UNDAKWNUBRJHAU-LLVKDONJSA-N 1 2 215.268 1.281 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCOC(F)F)C1 ZINC000852684164 588695400 /nfs/dbraw/zinc/69/54/00/588695400.db2.gz BRGDMRPUNHWEEC-SECBINFHSA-N 1 2 204.220 1.461 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCOC(F)F)C1 ZINC000852684164 588695401 /nfs/dbraw/zinc/69/54/01/588695401.db2.gz BRGDMRPUNHWEEC-SECBINFHSA-N 1 2 204.220 1.461 20 30 BDEDLO CN(C)c1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccn1 ZINC000852685823 588695905 /nfs/dbraw/zinc/69/59/05/588695905.db2.gz DNQSRYZMWQTVPL-AWEZNQCLSA-N 1 2 244.342 1.883 20 30 BDEDLO CN(C)c1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccn1 ZINC000852685823 588695906 /nfs/dbraw/zinc/69/59/06/588695906.db2.gz DNQSRYZMWQTVPL-AWEZNQCLSA-N 1 2 244.342 1.883 20 30 BDEDLO C#C[C@H](CC)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000861308904 589160647 /nfs/dbraw/zinc/16/06/47/589160647.db2.gz CEDGCYVSLGSJNP-NWDGAFQWSA-N 1 2 245.326 1.282 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000861308905 589160854 /nfs/dbraw/zinc/16/08/54/589160854.db2.gz CEDGCYVSLGSJNP-RYUDHWBXSA-N 1 2 245.326 1.282 20 30 BDEDLO Cc1c(F)nccc1C[NH+]1CC(CC#N)C1 ZINC000862412775 589211038 /nfs/dbraw/zinc/21/10/38/589211038.db2.gz TYLFXHXWQURUHC-UHFFFAOYSA-N 1 2 219.263 1.875 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nc(C)c[nH]1 ZINC000862419040 589211930 /nfs/dbraw/zinc/21/19/30/589211930.db2.gz UZNFHSFVECRCCE-UHFFFAOYSA-N 1 2 221.304 1.190 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nc(C)c[nH]1 ZINC000862419040 589211931 /nfs/dbraw/zinc/21/19/31/589211931.db2.gz UZNFHSFVECRCCE-UHFFFAOYSA-N 1 2 221.304 1.190 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862546238 589219881 /nfs/dbraw/zinc/21/98/81/589219881.db2.gz JLMFTDPPMVHXJG-JTQLQIEISA-N 1 2 219.288 1.377 20 30 BDEDLO Cc1[nH+]cc(C=NN=c2cc[nH]cc2C)n1C ZINC000863158205 589263933 /nfs/dbraw/zinc/26/39/33/589263933.db2.gz RAKYUUGTDQNMKM-UHFFFAOYSA-N 1 2 229.287 1.300 20 30 BDEDLO Cc1cc[nH+]cc1CCC=NN1CCOC1=O ZINC000863162972 589265792 /nfs/dbraw/zinc/26/57/92/589265792.db2.gz JDQICXYTOMCGNG-UHFFFAOYSA-N 1 2 233.271 1.761 20 30 BDEDLO N#Cc1cccn(C[NH+](C2CC2)C2CC2)c1=O ZINC000863302530 589277044 /nfs/dbraw/zinc/27/70/44/589277044.db2.gz HGAVASDCNMKCAF-UHFFFAOYSA-N 1 2 229.283 1.304 20 30 BDEDLO CCn1ncc(C/[NH+]=C/c2ccccc2O)n1 ZINC000864345017 589353919 /nfs/dbraw/zinc/35/39/19/589353919.db2.gz MVWBSHZVGKVTCX-NTUHNPAUSA-N 1 2 230.271 1.623 20 30 BDEDLO CO[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000864346401 589354739 /nfs/dbraw/zinc/35/47/39/589354739.db2.gz VIXMZNPWCAYUBQ-YMGSQUKXSA-N 1 2 205.257 1.989 20 30 BDEDLO C[NH+]1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000864383035 589356806 /nfs/dbraw/zinc/35/68/06/589356806.db2.gz ZXSRZYHFRMVDGW-UHFFFAOYSA-N 1 2 249.339 1.202 20 30 BDEDLO C=CCNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864420326 589358256 /nfs/dbraw/zinc/35/82/56/589358256.db2.gz OEPRCQPSFMBZLO-VIFPVBQESA-N 1 2 232.274 1.266 20 30 BDEDLO C=CCNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864420326 589358258 /nfs/dbraw/zinc/35/82/58/589358258.db2.gz OEPRCQPSFMBZLO-VIFPVBQESA-N 1 2 232.274 1.266 20 30 BDEDLO C#CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120313661 589401626 /nfs/dbraw/zinc/40/16/26/589401626.db2.gz IIHHRHTVPYSLOM-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO C#CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120313661 589401627 /nfs/dbraw/zinc/40/16/27/589401627.db2.gz IIHHRHTVPYSLOM-UHFFFAOYSA-N 1 2 207.223 1.956 20 30 BDEDLO C[C@@H]([NH2+]CC1(CO)CC1)c1cccc(C#N)c1O ZINC000866278481 589484064 /nfs/dbraw/zinc/48/40/64/589484064.db2.gz QFAAZUXHWXXUBR-SNVBAGLBSA-N 1 2 246.310 1.687 20 30 BDEDLO C[C@@H]([NH2+]C/C=C\CO)c1cccc(C#N)c1O ZINC000866386348 589489298 /nfs/dbraw/zinc/48/92/98/589489298.db2.gz CSTXSHUXYNNWFC-MXQLGCADSA-N 1 2 232.283 1.463 20 30 BDEDLO C[C@H]([NH2+]C/C=C\CO)c1cccc(C#N)c1O ZINC000866386351 589489365 /nfs/dbraw/zinc/48/93/65/589489365.db2.gz CSTXSHUXYNNWFC-ZMWSMAPVSA-N 1 2 232.283 1.463 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2c[nH+]cn2C)C1 ZINC000868412898 589557883 /nfs/dbraw/zinc/55/78/83/589557883.db2.gz LDHSMQINZDWTJO-UHFFFAOYSA-N 1 2 219.288 1.393 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCOCC1)C(=O)OC ZINC000871928867 589833869 /nfs/dbraw/zinc/83/38/69/589833869.db2.gz MXJBCEWBJHRAEO-QJPTWQEYSA-N 1 2 239.315 1.119 20 30 BDEDLO C#C[C@H]1CC[C@H]([NH2+][C@H](C=C)C(=O)OC)CC1 ZINC000871938690 589835354 /nfs/dbraw/zinc/83/53/54/589835354.db2.gz FHUQJDLZLTWVEW-IJLUTSLNSA-N 1 2 221.300 1.496 20 30 BDEDLO C#CCc1c(C)nn(CCCn2cc[nH+]c2)c1C ZINC000871961322 589846169 /nfs/dbraw/zinc/84/61/69/589846169.db2.gz IRUOOTASPVVQFE-UHFFFAOYSA-N 1 2 242.326 1.962 20 30 BDEDLO C=CCCC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872304848 589908354 /nfs/dbraw/zinc/90/83/54/589908354.db2.gz POMCLBITIHCMLR-UHFFFAOYSA-N 1 2 245.326 1.826 20 30 BDEDLO C(=NNC1CCCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872348493 589915928 /nfs/dbraw/zinc/91/59/28/589915928.db2.gz YTYYQTDIAYTWLD-UHFFFAOYSA-N 1 2 229.287 1.776 20 30 BDEDLO CCNc1ccccc1C=[NH+]N1CCCNC1=O ZINC000872362921 589919692 /nfs/dbraw/zinc/91/96/92/589919692.db2.gz JVSNITFSCOKQAL-UHFFFAOYSA-N 1 2 246.314 1.868 20 30 BDEDLO CC(C)(C=[NH+]n1ccnn1)[C@H]1CCCCO1 ZINC000872380049 589927566 /nfs/dbraw/zinc/92/75/66/589927566.db2.gz TUXTZUFTECUXGC-SNVBAGLBSA-N 1 2 222.292 1.707 20 30 BDEDLO C#CCN(CC)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000874167932 590095820 /nfs/dbraw/zinc/09/58/20/590095820.db2.gz ZVRWVAMCTCMNCN-UHFFFAOYSA-N 1 2 241.294 1.738 20 30 BDEDLO C=C(Br)CNC(=O)C[NH+]1CCCC1 ZINC000874213972 590097068 /nfs/dbraw/zinc/09/70/68/590097068.db2.gz LZXKFSINPSYPMF-UHFFFAOYSA-N 1 2 247.136 1.107 20 30 BDEDLO C=C(C)CONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000875697133 590167838 /nfs/dbraw/zinc/16/78/38/590167838.db2.gz HNONCUOJPZYIDY-UHFFFAOYSA-N 1 2 224.264 1.059 20 30 BDEDLO COC(=O)c1cc(C[NH+]2CCC(C#N)CC2)on1 ZINC000876653563 590226418 /nfs/dbraw/zinc/22/64/18/590226418.db2.gz OKXZVIDCQLXQLQ-UHFFFAOYSA-N 1 2 249.270 1.197 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000877321802 590316316 /nfs/dbraw/zinc/31/63/16/590316316.db2.gz SUVDQSLFICPTRP-MRVPVSSYSA-N 1 2 231.255 1.783 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)OC ZINC000877582819 590366438 /nfs/dbraw/zinc/36/64/38/590366438.db2.gz IAQAIJSUZQBPJA-XQHKEYJVSA-N 1 2 235.327 1.577 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OC ZINC000877584264 590367213 /nfs/dbraw/zinc/36/72/13/590367213.db2.gz YIZSZKHVBLKZSY-GHMZBOCLSA-N 1 2 221.300 1.474 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc(Cl)nn2)CCC1 ZINC000877594810 590369979 /nfs/dbraw/zinc/36/99/79/590369979.db2.gz ZVDJBHKKDVZDQY-UHFFFAOYSA-N 1 2 236.706 1.913 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000877690686 590392447 /nfs/dbraw/zinc/39/24/47/590392447.db2.gz SYSDGZKZDRFBHN-DCAQKATOSA-N 1 2 243.372 1.835 20 30 BDEDLO CCC[C@@H](C)C[N@@H+](CC#N)CCC(=O)OC ZINC000877709346 590398767 /nfs/dbraw/zinc/39/87/67/590398767.db2.gz UWUIROGAYHCSDL-LLVKDONJSA-N 1 2 226.320 1.811 20 30 BDEDLO CCC[C@@H](C)C[N@H+](CC#N)CCC(=O)OC ZINC000877709346 590398770 /nfs/dbraw/zinc/39/87/70/590398770.db2.gz UWUIROGAYHCSDL-LLVKDONJSA-N 1 2 226.320 1.811 20 30 BDEDLO COC(=O)[C@]1(F)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000878155275 590509445 /nfs/dbraw/zinc/50/94/45/590509445.db2.gz FSHRZHASLAXSFH-LBPRGKRZSA-N 1 2 240.278 1.267 20 30 BDEDLO COC(=O)[C@]1(F)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878155275 590509448 /nfs/dbraw/zinc/50/94/48/590509448.db2.gz FSHRZHASLAXSFH-LBPRGKRZSA-N 1 2 240.278 1.267 20 30 BDEDLO C=CC[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)OC ZINC000878409317 590562176 /nfs/dbraw/zinc/56/21/76/590562176.db2.gz JGUICWLGPCFKLE-SNVBAGLBSA-N 1 2 209.289 1.636 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](CC)[C@H]1CCCO1)C(=O)OC ZINC000878412871 590562928 /nfs/dbraw/zinc/56/29/28/590562928.db2.gz ANSHGDVECPXUPE-GRYCIOLGSA-N 1 2 241.331 1.651 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OC ZINC000878606685 590595748 /nfs/dbraw/zinc/59/57/48/590595748.db2.gz OCHNAUCKNIIFGH-LPEHRKFASA-N 1 2 229.345 1.445 20 30 BDEDLO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622349 590597135 /nfs/dbraw/zinc/59/71/35/590597135.db2.gz NRUDVDBMRVHHNW-NXEZZACHSA-N 1 2 236.319 1.654 20 30 BDEDLO C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622349 590597137 /nfs/dbraw/zinc/59/71/37/590597137.db2.gz NRUDVDBMRVHHNW-NXEZZACHSA-N 1 2 236.319 1.654 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000878659406 590604942 /nfs/dbraw/zinc/60/49/42/590604942.db2.gz CYDWDMPNEPHSGX-ZYHUDNBSSA-N 1 2 229.295 1.928 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000878659406 590604943 /nfs/dbraw/zinc/60/49/43/590604943.db2.gz CYDWDMPNEPHSGX-ZYHUDNBSSA-N 1 2 229.295 1.928 20 30 BDEDLO C=C(Cl)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878772077 590620745 /nfs/dbraw/zinc/62/07/45/590620745.db2.gz DTBVPTQSGOWQIV-GHMZBOCLSA-N 1 2 227.739 1.657 20 30 BDEDLO CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000878817667 590626840 /nfs/dbraw/zinc/62/68/40/590626840.db2.gz XGFGKDLLAXOTPB-VXGBXAGGSA-N 1 2 239.363 1.963 20 30 BDEDLO C#CC[N@@H+](Cc1oc(C)nc1C)C1CSC1 ZINC000878910175 590647680 /nfs/dbraw/zinc/64/76/80/590647680.db2.gz PBZBMCNBQPHABL-UHFFFAOYSA-N 1 2 236.340 1.842 20 30 BDEDLO C#CC[N@H+](Cc1oc(C)nc1C)C1CSC1 ZINC000878910175 590647682 /nfs/dbraw/zinc/64/76/82/590647682.db2.gz PBZBMCNBQPHABL-UHFFFAOYSA-N 1 2 236.340 1.842 20 30 BDEDLO C#CC[N@H+](Cc1ccc(C#N)cn1)C1CSC1 ZINC000878911497 590648699 /nfs/dbraw/zinc/64/86/99/590648699.db2.gz OCLDVOMUWREFRP-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(C#N)cn1)C1CSC1 ZINC000878911497 590648704 /nfs/dbraw/zinc/64/87/04/590648704.db2.gz OCLDVOMUWREFRP-UHFFFAOYSA-N 1 2 243.335 1.504 20 30 BDEDLO C#C[C@@H](NC(=O)Nc1cc[nH+]cc1C)C(C)(C)C ZINC000879072985 590691874 /nfs/dbraw/zinc/69/18/74/590691874.db2.gz KPBSRHKYZGFVMG-GFCCVEGCSA-N 1 2 245.326 1.981 20 30 BDEDLO C#C[C@H](NC(=O)Nc1cc[nH+]c(C)c1)C(C)(C)C ZINC000879068860 590692577 /nfs/dbraw/zinc/69/25/77/590692577.db2.gz FOACRECZOJJZEV-LBPRGKRZSA-N 1 2 245.326 1.981 20 30 BDEDLO C#CC1(F)CN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000879075850 590693399 /nfs/dbraw/zinc/69/33/99/590693399.db2.gz QTEJKCBKQQEJNR-UHFFFAOYSA-N 1 2 247.273 1.309 20 30 BDEDLO C#CCCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000879445301 590772029 /nfs/dbraw/zinc/77/20/29/590772029.db2.gz NXEGUHDQEWMQFC-UHFFFAOYSA-N 1 2 244.338 1.533 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417379 591026499 /nfs/dbraw/zinc/02/64/99/591026499.db2.gz MDZJZGFTIBCOKA-DGCLKSJQSA-N 1 2 232.258 1.264 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880417379 591026502 /nfs/dbraw/zinc/02/65/02/591026502.db2.gz MDZJZGFTIBCOKA-DGCLKSJQSA-N 1 2 232.258 1.264 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523415 591082348 /nfs/dbraw/zinc/08/23/48/591082348.db2.gz FISGIDIAYWNPNS-VHSXEESVSA-N 1 2 228.723 1.339 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523415 591082352 /nfs/dbraw/zinc/08/23/52/591082352.db2.gz FISGIDIAYWNPNS-VHSXEESVSA-N 1 2 228.723 1.339 20 30 BDEDLO COC(=O)c1coc(C[NH2+]CCC#N)c1 ZINC000128672347 591148184 /nfs/dbraw/zinc/14/81/84/591148184.db2.gz QHXDHRSQYURREW-UHFFFAOYSA-N 1 2 208.217 1.069 20 30 BDEDLO Cc1ccc(NCCCn2cc[nH+]c2)c(C#N)n1 ZINC000881735133 591268295 /nfs/dbraw/zinc/26/82/95/591268295.db2.gz BOOSHBFXOISOLJ-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO C#CC1(NC(=O)CCc2[nH]cc[nH+]2)CCCC1 ZINC000882532979 591384391 /nfs/dbraw/zinc/38/43/91/591384391.db2.gz HCNXZQCBXNCGRO-UHFFFAOYSA-N 1 2 231.299 1.405 20 30 BDEDLO C[C@@H](O[NH+]=C(N)CO)c1ccc(C#N)cc1 ZINC000883012323 591506285 /nfs/dbraw/zinc/50/62/85/591506285.db2.gz BMGHJHPIIGGSBV-MRVPVSSYSA-N 1 2 219.244 1.110 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc[nH+]cc1F ZINC000883005799 591507331 /nfs/dbraw/zinc/50/73/31/591507331.db2.gz YRKBXORKQKWHKH-SECBINFHSA-N 1 2 210.252 1.382 20 30 BDEDLO C=C(C)C[C@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000883401343 591649058 /nfs/dbraw/zinc/64/90/58/591649058.db2.gz KRMYSCKEGAFHPH-LLVKDONJSA-N 1 2 209.293 1.135 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1cccc(Cl)n1 ZINC000131995477 591681886 /nfs/dbraw/zinc/68/18/86/591681886.db2.gz QZEBCHAKPGONFR-ZETCQYMHSA-N 1 2 243.694 1.559 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCc1nnc(C(C)C)o1 ZINC000132482731 591713558 /nfs/dbraw/zinc/71/35/58/591713558.db2.gz CXWFQYZQHHEIDO-ZETCQYMHSA-N 1 2 242.279 1.017 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc[nH+]c(CC)n1 ZINC000884567514 591983463 /nfs/dbraw/zinc/98/34/63/591983463.db2.gz LADQDIUTZCICQL-NSHDSACASA-N 1 2 233.315 1.879 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884583332 591987292 /nfs/dbraw/zinc/98/72/92/591987292.db2.gz AFMIDSHXAIFIAZ-SNVBAGLBSA-N 1 2 221.304 1.778 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@](C)(O)C(F)F ZINC000885979540 592119832 /nfs/dbraw/zinc/11/98/32/592119832.db2.gz FYEZSSAUVGFFHE-APPZFPTMSA-N 1 2 206.236 1.094 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@](C)(O)C(F)F ZINC000885979540 592119834 /nfs/dbraw/zinc/11/98/34/592119834.db2.gz FYEZSSAUVGFFHE-APPZFPTMSA-N 1 2 206.236 1.094 20 30 BDEDLO N#CC1(C[C@H](O)Cn2cc[nH+]c2)CCC1 ZINC000886047202 592140294 /nfs/dbraw/zinc/14/02/94/592140294.db2.gz XPQBAVLMGQXBGV-JTQLQIEISA-N 1 2 205.261 1.328 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2cccc(C#N)c2F)C1 ZINC000219213135 592217454 /nfs/dbraw/zinc/21/74/54/592217454.db2.gz QMBKONJGNFCSFM-UHFFFAOYSA-N 1 2 248.301 1.900 20 30 BDEDLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCCC#N ZINC000887071921 592434428 /nfs/dbraw/zinc/43/44/28/592434428.db2.gz FLNRQGFZUIQJBQ-JTQLQIEISA-N 1 2 242.344 1.271 20 30 BDEDLO COC(=O)[C@@H]1CSCC[N@H+]1CCCCC#N ZINC000887071921 592434429 /nfs/dbraw/zinc/43/44/29/592434429.db2.gz FLNRQGFZUIQJBQ-JTQLQIEISA-N 1 2 242.344 1.271 20 30 BDEDLO C#CCC1([NH2+]Cc2noc(CC)n2)CCOCC1 ZINC000887124499 592447722 /nfs/dbraw/zinc/44/77/22/592447722.db2.gz HDDDIVBIKLAYSD-UHFFFAOYSA-N 1 2 249.314 1.294 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000887310597 592479551 /nfs/dbraw/zinc/47/95/51/592479551.db2.gz KOWXSGVSCFXFLJ-LPEHRKFASA-N 1 2 215.293 1.117 20 30 BDEDLO C=C1CCC(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890100018 592679258 /nfs/dbraw/zinc/67/92/58/592679258.db2.gz OGJMNPJOHQPNIK-UHFFFAOYSA-N 1 2 233.315 1.783 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000893527935 634564030 /nfs/dbraw/zinc/56/40/30/634564030.db2.gz SHZDEXSAAXLQLI-VIFPVBQESA-N 1 2 204.277 1.001 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000893527935 634564040 /nfs/dbraw/zinc/56/40/40/634564040.db2.gz SHZDEXSAAXLQLI-VIFPVBQESA-N 1 2 204.277 1.001 20 30 BDEDLO Cc1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000074285499 631227155 /nfs/dbraw/zinc/22/71/55/631227155.db2.gz WQCSQHBNZQNPEU-UHFFFAOYSA-N 1 2 246.270 1.410 20 30 BDEDLO C=C(C)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324694 631251391 /nfs/dbraw/zinc/25/13/91/631251391.db2.gz SAHRTLMWEBVYEP-CYBMUJFWSA-N 1 2 230.311 1.736 20 30 BDEDLO C=C(C)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324694 631251394 /nfs/dbraw/zinc/25/13/94/631251394.db2.gz SAHRTLMWEBVYEP-CYBMUJFWSA-N 1 2 230.311 1.736 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CO)c1F ZINC000934013760 631595363 /nfs/dbraw/zinc/59/53/63/631595363.db2.gz BHRWYVNMKJKETP-LLVKDONJSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CO)c1F ZINC000934013760 631595368 /nfs/dbraw/zinc/59/53/68/631595368.db2.gz BHRWYVNMKJKETP-LLVKDONJSA-N 1 2 220.247 1.264 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C)C1 ZINC000949609166 631696176 /nfs/dbraw/zinc/69/61/76/631696176.db2.gz ZSLUQCIWKXJAPG-ZYHUDNBSSA-N 1 2 222.332 1.361 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2cncs2)n1 ZINC000308918231 631721727 /nfs/dbraw/zinc/72/17/27/631721727.db2.gz IACCCZDEOBQJEO-UHFFFAOYSA-N 1 2 236.325 1.761 20 30 BDEDLO CCOC(=O)/C=C\C[N@H+](CC)C[C@H](C)C#N ZINC000309051275 631824797 /nfs/dbraw/zinc/82/47/97/631824797.db2.gz GBHXPGKIGUPDAE-JMEBYUIHSA-N 1 2 224.304 1.587 20 30 BDEDLO CCOC(=O)/C=C\C[N@@H+](CC)C[C@H](C)C#N ZINC000309051275 631824800 /nfs/dbraw/zinc/82/48/00/631824800.db2.gz GBHXPGKIGUPDAE-JMEBYUIHSA-N 1 2 224.304 1.587 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000934472816 631867213 /nfs/dbraw/zinc/86/72/13/631867213.db2.gz VIEAEWXRVBBRDR-NSHDSACASA-N 1 2 248.330 1.317 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000934472816 631867216 /nfs/dbraw/zinc/86/72/16/631867216.db2.gz VIEAEWXRVBBRDR-NSHDSACASA-N 1 2 248.330 1.317 20 30 BDEDLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1C#N ZINC000934567695 631934975 /nfs/dbraw/zinc/93/49/75/631934975.db2.gz RGTVYLPZDVLGQP-ZIAGYGMSSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1C#N ZINC000934567695 631934979 /nfs/dbraw/zinc/93/49/79/631934979.db2.gz RGTVYLPZDVLGQP-ZIAGYGMSSA-N 1 2 248.301 1.771 20 30 BDEDLO N#CCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000426417279 635712469 /nfs/dbraw/zinc/71/24/69/635712469.db2.gz QRYNCHYAXSFOIO-UHFFFAOYSA-N 1 2 243.270 1.047 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000928218705 635834005 /nfs/dbraw/zinc/83/40/05/635834005.db2.gz JGEZFTMDNXKGBY-SNVBAGLBSA-N 1 2 232.287 1.104 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000928218705 635834010 /nfs/dbraw/zinc/83/40/10/635834010.db2.gz JGEZFTMDNXKGBY-SNVBAGLBSA-N 1 2 232.287 1.104 20 30 BDEDLO N#CCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000336653021 635938769 /nfs/dbraw/zinc/93/87/69/635938769.db2.gz XNCNJHNXEPWCSY-UHFFFAOYSA-N 1 2 204.277 1.503 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000895173223 636115817 /nfs/dbraw/zinc/11/58/17/636115817.db2.gz WUOMSLLFMUOCPS-SNVBAGLBSA-N 1 2 236.319 1.282 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000895173223 636115822 /nfs/dbraw/zinc/11/58/22/636115822.db2.gz WUOMSLLFMUOCPS-SNVBAGLBSA-N 1 2 236.319 1.282 20 30 BDEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnnn1C ZINC000926873561 633758896 /nfs/dbraw/zinc/75/88/96/633758896.db2.gz GPLUBSGFZQNTHH-SNVBAGLBSA-N 1 2 233.319 1.550 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cc(C)no1)[C@H]1CCCO1 ZINC000309874965 633890188 /nfs/dbraw/zinc/89/01/88/633890188.db2.gz SGNNKQFPBGBJJK-NWDGAFQWSA-N 1 2 220.272 1.253 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000895599409 636163206 /nfs/dbraw/zinc/16/32/06/636163206.db2.gz ZNQGYMIEBHUEIS-WDEREUQCSA-N 1 2 243.372 1.979 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000895599406 636164358 /nfs/dbraw/zinc/16/43/58/636164358.db2.gz ZNQGYMIEBHUEIS-GHMZBOCLSA-N 1 2 243.372 1.979 20 30 BDEDLO COCCO[NH+]=C(N)Cc1ccccc1 ZINC000194280598 634312461 /nfs/dbraw/zinc/31/24/61/634312461.db2.gz OBRLPRIGTCEPCY-UHFFFAOYSA-N 1 2 208.261 1.164 20 30 BDEDLO C=C(Br)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000306334565 636336687 /nfs/dbraw/zinc/33/66/87/636336687.db2.gz ROKCVQMRFCOILG-VIFPVBQESA-N 1 2 233.153 1.531 20 30 BDEDLO C=C(Br)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000306334565 636336694 /nfs/dbraw/zinc/33/66/94/636336694.db2.gz ROKCVQMRFCOILG-VIFPVBQESA-N 1 2 233.153 1.531 20 30 BDEDLO C=CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000898661467 637052667 /nfs/dbraw/zinc/05/26/67/637052667.db2.gz HATYBNFPNZXKHK-GFCCVEGCSA-N 1 2 248.330 1.482 20 30 BDEDLO C=CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898661467 637052672 /nfs/dbraw/zinc/05/26/72/637052672.db2.gz HATYBNFPNZXKHK-GFCCVEGCSA-N 1 2 248.330 1.482 20 30 BDEDLO C[C@H](N[C@@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000902760705 637334729 /nfs/dbraw/zinc/33/47/29/637334729.db2.gz KEDZTXRCLJXWHG-WCQYABFASA-N 1 2 244.342 1.698 20 30 BDEDLO C[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000902760705 637334734 /nfs/dbraw/zinc/33/47/34/637334734.db2.gz KEDZTXRCLJXWHG-WCQYABFASA-N 1 2 244.342 1.698 20 30 BDEDLO C[N@@H+]1CC[C@H]1C/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000905002925 637542004 /nfs/dbraw/zinc/54/20/04/637542004.db2.gz MTOQHKOJFBSAPD-HKMIMPICSA-N 1 2 249.270 1.423 20 30 BDEDLO C[N@H+]1CC[C@H]1C/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000905002925 637542010 /nfs/dbraw/zinc/54/20/10/637542010.db2.gz MTOQHKOJFBSAPD-HKMIMPICSA-N 1 2 249.270 1.423 20 30 BDEDLO CCn1nc(C)c(C(=O)/C=C\c2c[nH+]cn2C)n1 ZINC000905086098 637585406 /nfs/dbraw/zinc/58/54/06/637585406.db2.gz IXEGXWJLIPRLCE-WAYWQWQTSA-N 1 2 245.286 1.236 20 30 BDEDLO C=CC[C@H]([NH2+]CCSC)C(=O)OC ZINC000905746947 637898068 /nfs/dbraw/zinc/89/80/68/637898068.db2.gz FZNGYQPMOZVMES-QMMMGPOBSA-N 1 2 203.307 1.057 20 30 BDEDLO C=CC[C@@H]([NH2+]CCCOC(C)(C)C)C(=O)OC ZINC000905778402 637908791 /nfs/dbraw/zinc/90/87/91/637908791.db2.gz JFPKDTLHQDPNOP-LLVKDONJSA-N 1 2 243.347 1.899 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000905761012 637916661 /nfs/dbraw/zinc/91/66/61/637916661.db2.gz AFCDKSJOCPKJNG-DTWKUNHWSA-N 1 2 215.318 1.199 20 30 BDEDLO C=CC[C@H]([NH2+]CCCSC)C(=O)OC ZINC000905763401 637918575 /nfs/dbraw/zinc/91/85/75/637918575.db2.gz XUOSFNIIWLQKPW-VIFPVBQESA-N 1 2 217.334 1.447 20 30 BDEDLO C=CC[C@H]([NH2+]CC(CC)(CC)OC)C(=O)OC ZINC000905770994 637924898 /nfs/dbraw/zinc/92/48/98/637924898.db2.gz PUINOFOEGORUQF-NSHDSACASA-N 1 2 243.347 1.899 20 30 BDEDLO C=CC[C@@H]([NH2+]CCCC1(O)CCC1)C(=O)OC ZINC000905770945 637924753 /nfs/dbraw/zinc/92/47/53/637924753.db2.gz GLZMMKRQECOKNP-LLVKDONJSA-N 1 2 241.331 1.389 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000905770004 637925045 /nfs/dbraw/zinc/92/50/45/637925045.db2.gz LHGZLYKUZGQBHY-MNOVXSKESA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[C@@H]([NH2+]CCC1(OC)CCC1)C(=O)OC ZINC000905772225 637927033 /nfs/dbraw/zinc/92/70/33/637927033.db2.gz XBZZLWWVBZZRJE-LLVKDONJSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CC[C@@H]([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000905771311 637927756 /nfs/dbraw/zinc/92/77/56/637927756.db2.gz SCQMEQMPISEGSN-RKDXNWHRSA-N 1 2 203.257 1.442 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1cn(-c2ccn(C)n2)nn1 ZINC000906285493 638126633 /nfs/dbraw/zinc/12/66/33/638126633.db2.gz HPKOFHARXOWNTE-UHFFFAOYSA-N 1 2 246.318 1.009 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1cn(-c2ccn(C)n2)nn1 ZINC000906285493 638126637 /nfs/dbraw/zinc/12/66/37/638126637.db2.gz HPKOFHARXOWNTE-UHFFFAOYSA-N 1 2 246.318 1.009 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000906634454 638228992 /nfs/dbraw/zinc/22/89/92/638228992.db2.gz BHPIKONNGGEVSH-JTQLQIEISA-N 1 2 233.315 1.882 20 30 BDEDLO C#CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000907683520 638445667 /nfs/dbraw/zinc/44/56/67/638445667.db2.gz YLQDEUYUJAKVBH-UHFFFAOYSA-N 1 2 216.284 1.712 20 30 BDEDLO CC(C)c1ncc(C[N@H+](C)C[C@H](O)CC#N)cn1 ZINC000930321599 639699657 /nfs/dbraw/zinc/69/96/57/639699657.db2.gz QZTSHAWOXVMSAU-GFCCVEGCSA-N 1 2 248.330 1.306 20 30 BDEDLO CC(C)c1ncc(C[N@@H+](C)C[C@H](O)CC#N)cn1 ZINC000930321599 639699662 /nfs/dbraw/zinc/69/96/62/639699662.db2.gz QZTSHAWOXVMSAU-GFCCVEGCSA-N 1 2 248.330 1.306 20 30 BDEDLO CCOC(=O)/C=C/C[N@H+](C)CC(C)(C)C#N ZINC000930571317 639812663 /nfs/dbraw/zinc/81/26/63/639812663.db2.gz ZJIVJACEHJPWEA-VOTSOKGWSA-N 1 2 224.304 1.587 20 30 BDEDLO CCOC(=O)/C=C/C[N@@H+](C)CC(C)(C)C#N ZINC000930571317 639812664 /nfs/dbraw/zinc/81/26/64/639812664.db2.gz ZJIVJACEHJPWEA-VOTSOKGWSA-N 1 2 224.304 1.587 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930703393 639870064 /nfs/dbraw/zinc/87/00/64/639870064.db2.gz BYWJBQVNQOAINX-YFKTTZPYSA-N 1 2 241.281 1.612 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930703393 639870067 /nfs/dbraw/zinc/87/00/67/639870067.db2.gz BYWJBQVNQOAINX-YFKTTZPYSA-N 1 2 241.281 1.612 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000931151349 640080984 /nfs/dbraw/zinc/08/09/84/640080984.db2.gz RNARYLSNYOFASQ-UHFFFAOYSA-N 1 2 246.310 1.512 20 30 BDEDLO C=CC[C@H]1CC[N@@H+](Cc2nnc(OC)s2)C1 ZINC000931162483 640081840 /nfs/dbraw/zinc/08/18/40/640081840.db2.gz CDQGOUQIKDHTLT-VIFPVBQESA-N 1 2 239.344 1.945 20 30 BDEDLO C=CC[C@H]1CC[N@H+](Cc2nnc(OC)s2)C1 ZINC000931162483 640081847 /nfs/dbraw/zinc/08/18/47/640081847.db2.gz CDQGOUQIKDHTLT-VIFPVBQESA-N 1 2 239.344 1.945 20 30 BDEDLO CC(C)C#CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614356 640137956 /nfs/dbraw/zinc/13/79/56/640137956.db2.gz MJLVXELXDCOTEJ-UHFFFAOYSA-N 1 2 233.315 1.394 20 30 BDEDLO Cc1nc2c(c(=O)[nH]1)C[N@H+]([C@H](C)CCC#N)C2 ZINC000931314833 640148051 /nfs/dbraw/zinc/14/80/51/640148051.db2.gz IJFVSVLJAZZFSS-MRVPVSSYSA-N 1 2 232.287 1.499 20 30 BDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+]([C@H](C)CCC#N)C2 ZINC000931314833 640148059 /nfs/dbraw/zinc/14/80/59/640148059.db2.gz IJFVSVLJAZZFSS-MRVPVSSYSA-N 1 2 232.287 1.499 20 30 BDEDLO Cc1nc2c(c(=O)[nH]1)C[N@H+]([C@@H](C)CCC#N)C2 ZINC000931314834 640149359 /nfs/dbraw/zinc/14/93/59/640149359.db2.gz IJFVSVLJAZZFSS-QMMMGPOBSA-N 1 2 232.287 1.499 20 30 BDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+]([C@@H](C)CCC#N)C2 ZINC000931314834 640149363 /nfs/dbraw/zinc/14/93/63/640149363.db2.gz IJFVSVLJAZZFSS-QMMMGPOBSA-N 1 2 232.287 1.499 20 30 BDEDLO C#CC[C@H]1CC[N@@H+](Cc2nnc(OC)s2)C1 ZINC000931715395 640335671 /nfs/dbraw/zinc/33/56/71/640335671.db2.gz VSVVKBDUVZKZFH-VIFPVBQESA-N 1 2 237.328 1.392 20 30 BDEDLO C#CC[C@H]1CC[N@H+](Cc2nnc(OC)s2)C1 ZINC000931715395 640335674 /nfs/dbraw/zinc/33/56/74/640335674.db2.gz VSVVKBDUVZKZFH-VIFPVBQESA-N 1 2 237.328 1.392 20 30 BDEDLO C#CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931793880 640370148 /nfs/dbraw/zinc/37/01/48/640370148.db2.gz MRCNGVFTHRGTHO-HNNXBMFYSA-N 1 2 237.306 1.990 20 30 BDEDLO C#CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931793880 640370154 /nfs/dbraw/zinc/37/01/54/640370154.db2.gz MRCNGVFTHRGTHO-HNNXBMFYSA-N 1 2 237.306 1.990 20 30 BDEDLO C[C@@]1(C2CC[NH+](CCC#N)CC2)COC(=O)N1 ZINC000932092398 640423568 /nfs/dbraw/zinc/42/35/68/640423568.db2.gz SEMFLJLTXYGURF-LBPRGKRZSA-N 1 2 237.303 1.111 20 30 BDEDLO CCCCOC(=O)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932161639 640445549 /nfs/dbraw/zinc/44/55/49/640445549.db2.gz MVHVQAUZVXRVDS-GFCCVEGCSA-N 1 2 238.331 1.955 20 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BDEDLO N#CCC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934337191 641129738 /nfs/dbraw/zinc/12/97/38/641129738.db2.gz QKQQFSUBCWXPEU-JTQLQIEISA-N 1 2 221.329 1.921 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(OC)nn1 ZINC000934517129 641186173 /nfs/dbraw/zinc/18/61/73/641186173.db2.gz SVMGZNCDTFCSGJ-LBPRGKRZSA-N 1 2 231.299 1.473 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)nn1 ZINC000934517129 641186178 /nfs/dbraw/zinc/18/61/78/641186178.db2.gz SVMGZNCDTFCSGJ-LBPRGKRZSA-N 1 2 231.299 1.473 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2cocc2C)C1 ZINC001030800278 641358092 /nfs/dbraw/zinc/35/80/92/641358092.db2.gz VKSZECQPWIJRFP-UHFFFAOYSA-N 1 2 232.283 1.025 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001030851890 641383057 /nfs/dbraw/zinc/38/30/57/641383057.db2.gz ZZXICKYJKCMLBW-WDEREUQCSA-N 1 2 240.322 1.501 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCC[C@H]2C)C1 ZINC001030909051 641416067 /nfs/dbraw/zinc/41/60/67/641416067.db2.gz OTXNKUIZQSQJPF-DOMZBBRYSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2ccco2)C1 ZINC001030940453 641479542 /nfs/dbraw/zinc/47/95/42/641479542.db2.gz CAUXMOCJVNQGPK-LLVKDONJSA-N 1 2 248.326 1.760 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2ccco2)C1 ZINC001030940454 641479737 /nfs/dbraw/zinc/47/97/37/641479737.db2.gz CAUXMOCJVNQGPK-NSHDSACASA-N 1 2 248.326 1.760 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)[nH]c2C)C1 ZINC001031017680 641597975 /nfs/dbraw/zinc/59/79/75/641597975.db2.gz MUCYUFKNQQDVLL-UHFFFAOYSA-N 1 2 245.326 1.069 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC001031043337 641637948 /nfs/dbraw/zinc/63/79/48/641637948.db2.gz BABCUSWFIPBBDR-NWDGAFQWSA-N 1 2 236.359 1.799 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2csc(C)c2)C1 ZINC001031104675 641702749 /nfs/dbraw/zinc/70/27/49/641702749.db2.gz BXZHHYFGGRTRNS-UHFFFAOYSA-N 1 2 248.351 1.494 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccco2)C1 ZINC001031128680 641725395 /nfs/dbraw/zinc/72/53/95/641725395.db2.gz QKTUIROYGAKBGA-UHFFFAOYSA-N 1 2 234.299 1.199 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001031168213 641762942 /nfs/dbraw/zinc/76/29/42/641762942.db2.gz MCUVXGIRHMHTSI-CHWSQXEVSA-N 1 2 234.343 1.102 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192070706 641960790 /nfs/dbraw/zinc/96/07/90/641960790.db2.gz XRXOQBVHFNPDHA-MNOVXSKESA-N 1 2 236.315 1.706 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192070706 641960796 /nfs/dbraw/zinc/96/07/96/641960796.db2.gz XRXOQBVHFNPDHA-MNOVXSKESA-N 1 2 236.315 1.706 20 30 BDEDLO COc1ccc(C(N)=[NH+]OCc2ccno2)cc1 ZINC000917401870 642057461 /nfs/dbraw/zinc/05/74/61/642057461.db2.gz CEGCNJGHEILYGQ-UHFFFAOYSA-N 1 2 247.254 1.520 20 30 BDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001031520050 642257773 /nfs/dbraw/zinc/25/77/73/642257773.db2.gz OKOMUVBFCHKLCA-LDYMZIIASA-N 1 2 242.750 1.443 20 30 BDEDLO C=CC[N@@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000155007448 642351842 /nfs/dbraw/zinc/35/18/42/642351842.db2.gz ZNFLEMXLOGWIGH-UHFFFAOYSA-N 1 2 237.303 1.444 20 30 BDEDLO C=CC[N@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000155007448 642351847 /nfs/dbraw/zinc/35/18/47/642351847.db2.gz ZNFLEMXLOGWIGH-UHFFFAOYSA-N 1 2 237.303 1.444 20 30 BDEDLO CCSCCO[NH+]=C(N)Cc1cccnc1 ZINC000155098513 642390712 /nfs/dbraw/zinc/39/07/12/642390712.db2.gz WHBOCNJACWSEMG-UHFFFAOYSA-N 1 2 239.344 1.666 20 30 BDEDLO CCn1cnc2c1CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000933255170 642423708 /nfs/dbraw/zinc/42/37/08/642423708.db2.gz XVOHKECWANXZIG-NEPJUHHUSA-N 1 2 244.342 1.953 20 30 BDEDLO CCn1cnc2c1CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000933255170 642423715 /nfs/dbraw/zinc/42/37/15/642423715.db2.gz XVOHKECWANXZIG-NEPJUHHUSA-N 1 2 244.342 1.953 20 30 BDEDLO C=C(Br)C[NH2+]Cc1[nH]ncc1C ZINC000308142540 642433658 /nfs/dbraw/zinc/43/36/58/642433658.db2.gz IAAMPCYJTRDEAT-UHFFFAOYSA-N 1 2 230.109 1.716 20 30 BDEDLO C=C(Br)C[NH2+]Cc1n[nH]cc1C ZINC000308142540 642433663 /nfs/dbraw/zinc/43/36/63/642433663.db2.gz IAAMPCYJTRDEAT-UHFFFAOYSA-N 1 2 230.109 1.716 20 30 BDEDLO C#CCC1([NH2+]Cc2noc(CCOC)n2)CCC1 ZINC000933296871 642509648 /nfs/dbraw/zinc/50/96/48/642509648.db2.gz PFEFAZKUXXGSCO-UHFFFAOYSA-N 1 2 249.314 1.294 20 30 BDEDLO C#CCC1([NH2+][C@H](C)C(=O)OCCC)CCC1 ZINC000933299097 642521079 /nfs/dbraw/zinc/52/10/79/642521079.db2.gz OVYCGMZOEQELPV-LLVKDONJSA-N 1 2 223.316 1.864 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC)C1 ZINC000964525019 642753019 /nfs/dbraw/zinc/75/30/19/642753019.db2.gz BSFCKKXVUZKHON-ONGXEEELSA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC)C1 ZINC000964525019 642753023 /nfs/dbraw/zinc/75/30/23/642753023.db2.gz BSFCKKXVUZKHON-ONGXEEELSA-N 1 2 244.766 1.976 20 30 BDEDLO CC(C)OCCO[NH+]=C(N)Cc1ccccc1 ZINC000181588973 642885884 /nfs/dbraw/zinc/88/58/84/642885884.db2.gz IZRLYPIMDXMWBL-UHFFFAOYSA-N 1 2 236.315 1.943 20 30 BDEDLO C=CCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181631223 642890904 /nfs/dbraw/zinc/89/09/04/642890904.db2.gz CIGCBCSOWOIKFQ-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO 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FEXGTYBICMGDPG-GRYCIOLGSA-N 1 2 240.322 1.596 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C ZINC001017897376 642983233 /nfs/dbraw/zinc/98/32/33/642983233.db2.gz VIBDQWOAJCUMCA-RQJABVFESA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C ZINC001017897376 642983238 /nfs/dbraw/zinc/98/32/38/642983238.db2.gz VIBDQWOAJCUMCA-RQJABVFESA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@H+](Cc1cc(Cl)n(C)n1)C(C)C ZINC000932384225 643195511 /nfs/dbraw/zinc/19/55/11/643195511.db2.gz NQJLQXVSFPOEAX-UHFFFAOYSA-N 1 2 225.723 1.917 20 30 BDEDLO C#CC[N@@H+](Cc1cc(Cl)n(C)n1)C(C)C ZINC000932384225 643195568 /nfs/dbraw/zinc/19/55/68/643195568.db2.gz NQJLQXVSFPOEAX-UHFFFAOYSA-N 1 2 225.723 1.917 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(F)F ZINC001032247701 643398847 /nfs/dbraw/zinc/39/88/47/643398847.db2.gz UFRSXEYTZRTRFE-IUCAKERBSA-N 1 2 230.258 1.113 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(F)F ZINC001032247701 643398851 /nfs/dbraw/zinc/39/88/51/643398851.db2.gz UFRSXEYTZRTRFE-IUCAKERBSA-N 1 2 230.258 1.113 20 30 BDEDLO Cc1occc1C[N@H+](C)CC(=O)NCCC#N ZINC000049238274 643614660 /nfs/dbraw/zinc/61/46/60/643614660.db2.gz YECOAFQLRWYMAY-UHFFFAOYSA-N 1 2 235.287 1.050 20 30 BDEDLO Cc1occc1C[N@@H+](C)CC(=O)NCCC#N ZINC000049238274 643614668 /nfs/dbraw/zinc/61/46/68/643614668.db2.gz YECOAFQLRWYMAY-UHFFFAOYSA-N 1 2 235.287 1.050 20 30 BDEDLO N#CC1(C(=O)OCc2ccc(N)[nH+]c2)CCC1 ZINC000922472732 643999436 /nfs/dbraw/zinc/99/94/36/643999436.db2.gz WXTFQDDSXQOQPX-UHFFFAOYSA-N 1 2 231.255 1.401 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922776077 644092390 /nfs/dbraw/zinc/09/23/90/644092390.db2.gz NACKSNLKHWKHBI-MNOVXSKESA-N 1 2 248.282 1.298 20 30 BDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001017283204 644618108 /nfs/dbraw/zinc/61/81/08/644618108.db2.gz LIWMAIQIROYHEK-AOOOYVTPSA-N 1 2 244.285 1.503 20 30 BDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC001017283204 644618112 /nfs/dbraw/zinc/61/81/12/644618112.db2.gz LIWMAIQIROYHEK-AOOOYVTPSA-N 1 2 244.285 1.503 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248909751 644705252 /nfs/dbraw/zinc/70/52/52/644705252.db2.gz XRXOQBVHFNPDHA-WDEREUQCSA-N 1 2 236.315 1.706 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248909751 644705259 /nfs/dbraw/zinc/70/52/59/644705259.db2.gz XRXOQBVHFNPDHA-WDEREUQCSA-N 1 2 236.315 1.706 20 30 BDEDLO C#CCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000777010396 644707175 /nfs/dbraw/zinc/70/71/75/644707175.db2.gz CGHZCUIXGKLKBN-UHFFFAOYSA-N 1 2 241.294 1.868 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC000957799902 644753897 /nfs/dbraw/zinc/75/38/97/644753897.db2.gz XKPJLXFDTCHJMR-CYBMUJFWSA-N 1 2 248.370 1.590 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001017366048 644756498 /nfs/dbraw/zinc/75/64/98/644756498.db2.gz JAEWAMITCOMJMZ-MELADBBJSA-N 1 2 248.370 1.731 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001017366048 644756504 /nfs/dbraw/zinc/75/65/04/644756504.db2.gz JAEWAMITCOMJMZ-MELADBBJSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844425003 645329990 /nfs/dbraw/zinc/32/99/90/645329990.db2.gz MVGABVVTFHNYEE-GFCCVEGCSA-N 1 2 233.315 1.754 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442857 645331606 /nfs/dbraw/zinc/33/16/06/645331606.db2.gz GZDBLLKXXIBHFZ-GXSJLCMTSA-N 1 2 245.269 1.835 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442857 645331610 /nfs/dbraw/zinc/33/16/10/645331610.db2.gz GZDBLLKXXIBHFZ-GXSJLCMTSA-N 1 2 245.269 1.835 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC000847018027 645415982 /nfs/dbraw/zinc/41/59/82/645415982.db2.gz HLLOTMQFPBBMJI-NXEZZACHSA-N 1 2 221.329 1.944 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC000847018027 645415989 /nfs/dbraw/zinc/41/59/89/645415989.db2.gz HLLOTMQFPBBMJI-NXEZZACHSA-N 1 2 221.329 1.944 20 30 BDEDLO C[C@@H](CC#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000857589519 645620511 /nfs/dbraw/zinc/62/05/11/645620511.db2.gz HYBSQJXEJSZLCD-VIFPVBQESA-N 1 2 228.255 1.823 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000927778405 645656563 /nfs/dbraw/zinc/65/65/63/645656563.db2.gz UYXKXKSKJJELCB-UHFFFAOYSA-N 1 2 233.315 1.882 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000862579373 645701487 /nfs/dbraw/zinc/70/14/87/645701487.db2.gz VZMCWYIGLKZENX-RYUDHWBXSA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000862579373 645701483 /nfs/dbraw/zinc/70/14/83/645701483.db2.gz VZMCWYIGLKZENX-RYUDHWBXSA-N 1 2 245.326 1.460 20 30 BDEDLO C[C@@H](CC(=O)N1CCC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000928214409 645710197 /nfs/dbraw/zinc/71/01/97/645710197.db2.gz MUZRUWXBXIIZMI-RYUDHWBXSA-N 1 2 246.314 1.596 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C(=O)OCC)no1)C1CC1 ZINC000877371988 645793171 /nfs/dbraw/zinc/79/31/71/645793171.db2.gz SNOPUYUKIDQMCK-UHFFFAOYSA-N 1 2 248.282 1.449 20 30 BDEDLO C#CC[N@H+](Cc1cc(C(=O)OCC)no1)C1CC1 ZINC000877371988 645793183 /nfs/dbraw/zinc/79/31/83/645793183.db2.gz SNOPUYUKIDQMCK-UHFFFAOYSA-N 1 2 248.282 1.449 20 30 BDEDLO N#CCC1C[NH+](Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877625969 645802421 /nfs/dbraw/zinc/80/24/21/645802421.db2.gz VXNPHCAHZPICGK-UHFFFAOYSA-N 1 2 243.266 1.879 20 30 BDEDLO Cn1ncc2cc(C[NH+]3CC(CC#N)C3)cnc21 ZINC000877626175 645803206 /nfs/dbraw/zinc/80/32/06/645803206.db2.gz YZYUDFHXUIAOQJ-UHFFFAOYSA-N 1 2 241.298 1.314 20 30 BDEDLO COc1ccc2c(c1)C[C@@H](C[N@H+](C)CCC#N)O2 ZINC000929810209 646330491 /nfs/dbraw/zinc/33/04/91/646330491.db2.gz ZSMHUZOAMLSMNE-ZDUSSCGKSA-N 1 2 246.310 1.844 20 30 BDEDLO COc1ccc2c(c1)C[C@@H](C[N@@H+](C)CCC#N)O2 ZINC000929810209 646330493 /nfs/dbraw/zinc/33/04/93/646330493.db2.gz ZSMHUZOAMLSMNE-ZDUSSCGKSA-N 1 2 246.310 1.844 20 30 BDEDLO C=CC[N@H+](Cc1noc2c1COCC2)C1CC1 ZINC000930175014 646477825 /nfs/dbraw/zinc/47/78/25/646477825.db2.gz GZZSNFKRGYUQCH-UHFFFAOYSA-N 1 2 234.299 1.898 20 30 BDEDLO C=CC[N@@H+](Cc1noc2c1COCC2)C1CC1 ZINC000930175014 646477828 /nfs/dbraw/zinc/47/78/28/646477828.db2.gz GZZSNFKRGYUQCH-UHFFFAOYSA-N 1 2 234.299 1.898 20 30 BDEDLO CCOC(=O)/C=C\C[N@@H+](CCC#N)CC(C)C ZINC000382510915 711921583 /nfs/dbraw/zinc/92/15/83/711921583.db2.gz RNSDXRJKONURCO-ALCCZGGFSA-N 1 2 238.331 1.977 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)cn1 ZINC000715818224 712533631 /nfs/dbraw/zinc/53/36/31/712533631.db2.gz NUUVPBBBQZJTMZ-QMMMGPOBSA-N 1 2 209.680 1.984 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000932153111 712715803 /nfs/dbraw/zinc/71/58/03/712715803.db2.gz MZEIJBJQYYXHKU-STQMWFEESA-N 1 2 238.331 1.765 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000932153111 712715804 /nfs/dbraw/zinc/71/58/04/712715804.db2.gz MZEIJBJQYYXHKU-STQMWFEESA-N 1 2 238.331 1.765 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1 ZINC001038013664 712898371 /nfs/dbraw/zinc/89/83/71/712898371.db2.gz KFXXRLXDWDCRRP-ZDUSSCGKSA-N 1 2 228.295 1.124 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1 ZINC001038013664 712898372 /nfs/dbraw/zinc/89/83/72/712898372.db2.gz KFXXRLXDWDCRRP-ZDUSSCGKSA-N 1 2 228.295 1.124 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038612338 710699899 /nfs/dbraw/zinc/69/98/99/710699899.db2.gz WLGSYLHNLBCNBP-QWHCGFSZSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038612338 710699903 /nfs/dbraw/zinc/69/99/03/710699903.db2.gz WLGSYLHNLBCNBP-QWHCGFSZSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)o2)C1 ZINC001042447626 710785223 /nfs/dbraw/zinc/78/52/23/710785223.db2.gz CZXQHOWIWDYHAN-UHFFFAOYSA-N 1 2 246.310 1.368 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)C2CC2)C1 ZINC001042580803 710793197 /nfs/dbraw/zinc/79/31/97/710793197.db2.gz IHCYOCWZRICFNT-SNVBAGLBSA-N 1 2 222.332 1.361 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001042625815 710795478 /nfs/dbraw/zinc/79/54/78/710795478.db2.gz QCHGALZRQGAAGZ-LBPRGKRZSA-N 1 2 236.359 1.751 20 30 BDEDLO CO[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000382167696 710802822 /nfs/dbraw/zinc/80/28/22/710802822.db2.gz VIZUPJLQECPLFP-UHFFFAOYSA-N 1 2 225.317 1.879 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001043577875 710808798 /nfs/dbraw/zinc/80/87/98/710808798.db2.gz CDHMPRLVGFCFKC-LBPRGKRZSA-N 1 2 236.359 1.751 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001043589669 710811450 /nfs/dbraw/zinc/81/14/50/710811450.db2.gz QBISRXJPIKNAKV-UHFFFAOYSA-N 1 2 248.370 1.589 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC001043983578 710816435 /nfs/dbraw/zinc/81/64/35/710816435.db2.gz ZCWBMWIIMZYSDR-CYBMUJFWSA-N 1 2 248.370 1.895 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001044027771 710816518 /nfs/dbraw/zinc/81/65/18/710816518.db2.gz HRVPZSJHTLZTPF-UHFFFAOYSA-N 1 2 248.330 1.050 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC001044116281 710820383 /nfs/dbraw/zinc/82/03/83/710820383.db2.gz JORLLEZRMPISSW-GXTWGEPZSA-N 1 2 236.359 1.751 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000133133981 710967831 /nfs/dbraw/zinc/96/78/31/710967831.db2.gz QZJCGBLOVVNVDM-CQSZACIVSA-N 1 2 230.311 1.914 20 30 BDEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000133133981 710967834 /nfs/dbraw/zinc/96/78/34/710967834.db2.gz QZJCGBLOVVNVDM-CQSZACIVSA-N 1 2 230.311 1.914 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCCCC)C1CC1 ZINC000382490662 710971554 /nfs/dbraw/zinc/97/15/54/710971554.db2.gz CXKXFTIXUFRYRG-UHFFFAOYSA-N 1 2 211.305 1.980 20 30 BDEDLO C=CC[N@H+](CC(=O)OCCCC)C1CC1 ZINC000382490662 710971558 /nfs/dbraw/zinc/97/15/58/710971558.db2.gz CXKXFTIXUFRYRG-UHFFFAOYSA-N 1 2 211.305 1.980 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000134158538 711488497 /nfs/dbraw/zinc/48/84/97/711488497.db2.gz BBASQLLDMOYFQQ-JTQLQIEISA-N 1 2 230.739 1.730 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000134158538 711488500 /nfs/dbraw/zinc/48/85/00/711488500.db2.gz BBASQLLDMOYFQQ-JTQLQIEISA-N 1 2 230.739 1.730 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038409767 711767912 /nfs/dbraw/zinc/76/79/12/711767912.db2.gz HYSRKJYPRMTUQT-JVWICGRDSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038409767 711767913 /nfs/dbraw/zinc/76/79/13/711767913.db2.gz HYSRKJYPRMTUQT-JVWICGRDSA-N 1 2 246.354 1.390 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2occc2C)C1 ZINC001030103967 711826680 /nfs/dbraw/zinc/82/66/80/711826680.db2.gz HFKBXKCRUUNKED-UHFFFAOYSA-N 1 2 234.299 1.578 20 30 BDEDLO CCOC(=O)/C=C\C[N@H+](CCC#N)CC(C)C ZINC000382510915 711921582 /nfs/dbraw/zinc/92/15/82/711921582.db2.gz RNSDXRJKONURCO-ALCCZGGFSA-N 1 2 238.331 1.977 20 30 BDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032563201 711925840 /nfs/dbraw/zinc/92/58/40/711925840.db2.gz RBNAAEKPPIFMJB-STQMWFEESA-N 1 2 246.354 1.507 20 30 BDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032563201 711925843 /nfs/dbraw/zinc/92/58/43/711925843.db2.gz RBNAAEKPPIFMJB-STQMWFEESA-N 1 2 246.354 1.507 20 30 BDEDLO CCOC(=O)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000703670228 712082537 /nfs/dbraw/zinc/08/25/37/712082537.db2.gz HKMNGHHNZDJQMM-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000703670228 712082551 /nfs/dbraw/zinc/08/25/51/712082551.db2.gz HKMNGHHNZDJQMM-SNVBAGLBSA-N 1 2 210.277 1.175 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC000707911124 712173087 /nfs/dbraw/zinc/17/30/87/712173087.db2.gz DGLUZVAPYRBWAU-UHFFFAOYSA-N 1 2 248.326 1.758 20 30 BDEDLO C#CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000606280087 712351241 /nfs/dbraw/zinc/35/12/41/712351241.db2.gz SPBQDQWHRHQMDN-QMMMGPOBSA-N 1 2 207.195 1.273 20 30 BDEDLO C#CC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000606280087 712351242 /nfs/dbraw/zinc/35/12/42/712351242.db2.gz SPBQDQWHRHQMDN-QMMMGPOBSA-N 1 2 207.195 1.273 20 30 BDEDLO C#CCC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886967309 712658643 /nfs/dbraw/zinc/65/86/43/712658643.db2.gz XDHIZMAYCULQTD-NWDGAFQWSA-N 1 2 239.315 1.100 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C(=O)OC)[C@@H](C)CC ZINC000930589969 712712998 /nfs/dbraw/zinc/71/29/98/712712998.db2.gz OYKBOHDCEPORMO-WDEREUQCSA-N 1 2 211.305 1.529 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C(=O)OC)[C@@H](C)CC ZINC000930589969 712713000 /nfs/dbraw/zinc/71/30/00/712713000.db2.gz OYKBOHDCEPORMO-WDEREUQCSA-N 1 2 211.305 1.529 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCC(=O)C2CC2)C1 ZINC000932151668 712715614 /nfs/dbraw/zinc/71/56/14/712715614.db2.gz DZEFVQPHNCPJQQ-JTQLQIEISA-N 1 2 206.289 1.591 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCC(=O)C2CC2)C1 ZINC000932151668 712715617 /nfs/dbraw/zinc/71/56/17/712715617.db2.gz DZEFVQPHNCPJQQ-JTQLQIEISA-N 1 2 206.289 1.591 20 30 BDEDLO Cc1noc(C[C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000933575226 958505611 /nfs/dbraw/zinc/50/56/11/958505611.db2.gz CVOKOAPXNYDMDE-LLVKDONJSA-N 1 2 234.303 1.546 20 30 BDEDLO Cc1noc(C[C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000933575226 958505614 /nfs/dbraw/zinc/50/56/14/958505614.db2.gz CVOKOAPXNYDMDE-LLVKDONJSA-N 1 2 234.303 1.546 20 30 BDEDLO C=C(C)C(=O)OCCNc1ccc[nH+]c1C ZINC001168073903 963608248 /nfs/dbraw/zinc/60/82/48/963608248.db2.gz SBQKSXGSKZSHOM-UHFFFAOYSA-N 1 2 220.272 1.921 20 30 BDEDLO C#CCN(CC#C)c1[nH+]c(C)ccc1CC#N ZINC001157562701 963657315 /nfs/dbraw/zinc/65/73/15/963657315.db2.gz XKDJIAUUIPSLFN-UHFFFAOYSA-N 1 2 223.279 1.529 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CC2)C1 ZINC001042407820 965054525 /nfs/dbraw/zinc/05/45/25/965054525.db2.gz HTYKZWZFCCHQRS-UHFFFAOYSA-N 1 2 208.305 1.115 20 30 BDEDLO C#CCNc1cc(N2CCCC2)nc[nH+]1 ZINC001163363143 965333584 /nfs/dbraw/zinc/33/35/84/965333584.db2.gz HWWDBVUOYNAKQB-UHFFFAOYSA-N 1 2 202.261 1.122 20 30 BDEDLO C#CCNc1cc(N2CCCC2)[nH+]cn1 ZINC001163363143 965333594 /nfs/dbraw/zinc/33/35/94/965333594.db2.gz HWWDBVUOYNAKQB-UHFFFAOYSA-N 1 2 202.261 1.122 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cncn1CCOC ZINC001255154215 969960680 /nfs/dbraw/zinc/96/06/80/969960680.db2.gz FKFGZSZRMNWMMS-NSHDSACASA-N 1 2 236.319 1.311 20 30 BDEDLO C[N@@H+]1CCC[C@H](NCc2ncc(C#N)s2)C1 ZINC001255475760 970205659 /nfs/dbraw/zinc/20/56/59/970205659.db2.gz UXMCAIBXILLPMT-VIFPVBQESA-N 1 2 236.344 1.199 20 30 BDEDLO C[N@H+]1CCC[C@H](NCc2ncc(C#N)s2)C1 ZINC001255475760 970205666 /nfs/dbraw/zinc/20/56/66/970205666.db2.gz UXMCAIBXILLPMT-VIFPVBQESA-N 1 2 236.344 1.199 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)C#N ZINC000351485249 970606563 /nfs/dbraw/zinc/60/65/63/970606563.db2.gz ILGNGLFHZHXZKA-SNVBAGLBSA-N 1 2 234.303 1.328 20 30 BDEDLO COC(=O)C1([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173324179 975272026 /nfs/dbraw/zinc/27/20/26/975272026.db2.gz IUYMWHKJWUKKAT-UHFFFAOYSA-N 1 2 236.315 1.754 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001333574529 975861491 /nfs/dbraw/zinc/86/14/91/975861491.db2.gz OMMCVXIOWRZPSH-GHMZBOCLSA-N 1 2 219.288 1.621 20 30 BDEDLO Cc1nocc1C[NH2+]C[C@H](C#N)CCC#N ZINC001335970610 977397441 /nfs/dbraw/zinc/39/74/41/977397441.db2.gz QQBYBSFSPBZXRO-JTQLQIEISA-N 1 2 218.260 1.516 20 30 BDEDLO C=C(C)CCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001336025129 977434033 /nfs/dbraw/zinc/43/40/33/977434033.db2.gz QRHVNCATBBDKAC-JTQLQIEISA-N 1 2 219.288 1.800 20 30 BDEDLO CC1(C#N)CN(Cc2cccc(N)[nH+]2)C1 ZINC001233368929 978585739 /nfs/dbraw/zinc/58/57/39/978585739.db2.gz OLLPAXNAOWGOPZ-UHFFFAOYSA-N 1 2 202.261 1.009 20 30 BDEDLO N#C[C@H]1CC[N@@H+](CC2OC=CC2=S)C1 ZINC001237189342 979842893 /nfs/dbraw/zinc/84/28/93/979842893.db2.gz CHHSWNHWCMPZKF-MRVPVSSYSA-N 1 2 208.286 1.914 20 30 BDEDLO N#C[C@H]1CC[N@H+](CC2OC=CC2=S)C1 ZINC001237189342 979842895 /nfs/dbraw/zinc/84/28/95/979842895.db2.gz CHHSWNHWCMPZKF-MRVPVSSYSA-N 1 2 208.286 1.914 20 30 BDEDLO C[C@@H](Cc1ccccn1)[N@H+](C)CCC#N ZINC001256410895 970819335 /nfs/dbraw/zinc/81/93/35/970819335.db2.gz YOSLXHSQSWZWNB-NSHDSACASA-N 1 2 203.289 1.858 20 30 BDEDLO C[C@@H](Cc1ccccn1)[N@@H+](C)CCC#N ZINC001256410895 970819340 /nfs/dbraw/zinc/81/93/40/970819340.db2.gz YOSLXHSQSWZWNB-NSHDSACASA-N 1 2 203.289 1.858 20 30 BDEDLO C=CC[NH+]1CCN([C@@H](C)Cc2ccncc2)CC1 ZINC001256743621 970979457 /nfs/dbraw/zinc/97/94/57/970979457.db2.gz RGHNQQZRWFMYBG-AWEZNQCLSA-N 1 2 245.370 1.816 20 30 BDEDLO C#Cc1cc(Nc2ccc(OC)c(N)c2)cc[nH+]1 ZINC001216254600 971002901 /nfs/dbraw/zinc/00/29/01/971002901.db2.gz VEKUZQMHCCLVMC-UHFFFAOYSA-N 1 2 239.278 1.819 20 30 BDEDLO C#Cc1cc(Nc2cnn(COC)c2)cc[nH+]1 ZINC001216572016 971127517 /nfs/dbraw/zinc/12/75/17/971127517.db2.gz SRCIZQWTEYNEQX-UHFFFAOYSA-N 1 2 228.255 1.029 20 30 BDEDLO C=CCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093516645 974025944 /nfs/dbraw/zinc/02/59/44/974025944.db2.gz OYSNIFPZFVRNKO-UHFFFAOYSA-N 1 2 234.303 1.279 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC001257663131 971462567 /nfs/dbraw/zinc/46/25/67/971462567.db2.gz UGCOXJNSKFSYSJ-ZJUUUORDSA-N 1 2 229.345 1.589 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccccc1 ZINC000814684445 971730181 /nfs/dbraw/zinc/73/01/81/971730181.db2.gz UFRFJTKSQRXZEC-UHFFFAOYSA-N 1 2 229.287 1.757 20 30 BDEDLO N#C[C@@H]1CCCC[N@H+]1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242562 974505873 /nfs/dbraw/zinc/50/58/73/974505873.db2.gz YALYSEKGWGGMRJ-WODVXLOZSA-N 1 2 218.300 1.850 20 30 BDEDLO C#CC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001143907115 972388167 /nfs/dbraw/zinc/38/81/67/972388167.db2.gz LFGFTPMOAFFAGZ-UHFFFAOYSA-N 1 2 243.310 1.089 20 30 BDEDLO CC[C@H]1OC(C)=C(OCCn2cc[nH+]c2)C1=O ZINC001222138875 972389705 /nfs/dbraw/zinc/38/97/05/972389705.db2.gz LDVAFMAETLWWOE-SNVBAGLBSA-N 1 2 236.271 1.509 20 30 BDEDLO C=C1O[C@H](CC)C(=O)C1OCCn1cc[nH+]c1 ZINC001222138875 972389713 /nfs/dbraw/zinc/38/97/13/972389713.db2.gz LDVAFMAETLWWOE-SNVBAGLBSA-N 1 2 236.271 1.509 20 30 BDEDLO CC(C)(CNc1[nH+]cccc1CC#N)C(N)=O ZINC001167600335 959021888 /nfs/dbraw/zinc/02/18/88/959021888.db2.gz SCJYCHKOEMWWHQ-UHFFFAOYSA-N 1 2 232.287 1.071 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932164155 959407772 /nfs/dbraw/zinc/40/77/72/959407772.db2.gz YJYNMWBIYOOSMB-RYUDHWBXSA-N 1 2 240.347 1.398 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932164155 959407778 /nfs/dbraw/zinc/40/77/78/959407778.db2.gz YJYNMWBIYOOSMB-RYUDHWBXSA-N 1 2 240.347 1.398 20 30 BDEDLO CCCN(CCC)C(=O)C[NH2+]CCC#N ZINC000309168893 959690467 /nfs/dbraw/zinc/69/04/67/959690467.db2.gz KKHRDQMWILZCDA-UHFFFAOYSA-N 1 2 211.309 1.138 20 30 BDEDLO C=CCNC(=S)Nc1ccc2[nH+]ccn2c1 ZINC001200276458 960189653 /nfs/dbraw/zinc/18/96/53/960189653.db2.gz XMRUJBBCLYEDNY-UHFFFAOYSA-N 1 2 232.312 1.807 20 30 BDEDLO C=CC[C@@H](C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001144018819 972488593 /nfs/dbraw/zinc/48/85/93/972488593.db2.gz UTVVJQQXLXKSHB-LLVKDONJSA-N 1 2 233.315 1.480 20 30 BDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC001140751038 960548255 /nfs/dbraw/zinc/54/82/55/960548255.db2.gz HEPXVDGYBMKNEW-SECBINFHSA-N 1 2 238.237 1.403 20 30 BDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC001140751038 960548269 /nfs/dbraw/zinc/54/82/69/960548269.db2.gz HEPXVDGYBMKNEW-SECBINFHSA-N 1 2 238.237 1.403 20 30 BDEDLO CN(CCC#N)Cc1ccn2cc[nH+]c2c1 ZINC001141042372 960830669 /nfs/dbraw/zinc/83/06/69/960830669.db2.gz OJDMLDPGZKVYSY-UHFFFAOYSA-N 1 2 214.272 1.680 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001141167845 960901117 /nfs/dbraw/zinc/90/11/17/960901117.db2.gz BHJMLNZNHKWQIV-PWSUYJOCSA-N 1 2 249.314 1.110 20 30 BDEDLO C[C@@H](C(=O)NCC(C)(C)CC#N)n1cc[nH+]c1 ZINC001141962581 961192200 /nfs/dbraw/zinc/19/22/00/961192200.db2.gz VJGJBZGBNAXGTE-JTQLQIEISA-N 1 2 234.303 1.500 20 30 BDEDLO C=CCC1(C(=O)NC2C[NH+](CC)C2)CCC1 ZINC001481581530 961255481 /nfs/dbraw/zinc/25/54/81/961255481.db2.gz ZNRIIFMZDZBMDT-UHFFFAOYSA-N 1 2 222.332 1.553 20 30 BDEDLO N#C[C@@H]1CCN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143028212 961867222 /nfs/dbraw/zinc/86/72/22/961867222.db2.gz XVAXLCVWAJYECA-NSHDSACASA-N 1 2 226.283 1.680 20 30 BDEDLO CN(CC#N)Cc1ccc2[nH+]ccn2c1 ZINC001143029325 961870772 /nfs/dbraw/zinc/87/07/72/961870772.db2.gz VBYFTKFELKSQPV-UHFFFAOYSA-N 1 2 200.245 1.290 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000843425485 962003019 /nfs/dbraw/zinc/00/30/19/962003019.db2.gz PLZKMQRDJILACV-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000843425485 962003031 /nfs/dbraw/zinc/00/30/31/962003031.db2.gz PLZKMQRDJILACV-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001154807845 962854467 /nfs/dbraw/zinc/85/44/67/962854467.db2.gz CHPXOMCVGNNKCZ-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO N#Cc1ccn(-c2ccn3cc[nH+]c3c2)c1N ZINC001204966168 962997110 /nfs/dbraw/zinc/99/71/10/962997110.db2.gz PDQFKPSZQHCSPP-UHFFFAOYSA-N 1 2 223.239 1.579 20 30 BDEDLO Cc1nc(C(C)C)cc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320986 963313649 /nfs/dbraw/zinc/31/36/49/963313649.db2.gz KOYUQUKBBYPFMX-NSHDSACASA-N 1 2 245.330 1.210 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1cccc(C2CC2)n1 ZINC001156332724 963317986 /nfs/dbraw/zinc/31/79/86/963317986.db2.gz NKJAOEQSGOLNBH-NSHDSACASA-N 1 2 228.299 1.261 20 30 BDEDLO COCC(C)(C)Nc1cc(CC#N)cc[nH+]1 ZINC001156458102 963358612 /nfs/dbraw/zinc/35/86/12/963358612.db2.gz YQJPZLYBGXZYHQ-UHFFFAOYSA-N 1 2 219.288 1.985 20 30 BDEDLO Cc1cc(NCc2cc[nH+]c(N)c2)ncc1C#N ZINC001156757134 963453647 /nfs/dbraw/zinc/45/36/47/963453647.db2.gz NUAFYWJCPABAMU-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C[NH+]1CC(Oc2cccc3nc(C#N)ccc32)C1 ZINC001227800831 963591698 /nfs/dbraw/zinc/59/16/98/963591698.db2.gz HUADXFHIEGGUSN-UHFFFAOYSA-N 1 2 239.278 1.799 20 30 BDEDLO C#CCN(CC#C)c1nc(NC(C)C)c(C)c[nH+]1 ZINC001157558699 963660750 /nfs/dbraw/zinc/66/07/50/963660750.db2.gz JYKZCEURIHGTBS-UHFFFAOYSA-N 1 2 242.326 1.678 20 30 BDEDLO CCOC(=O)[C@H](C#N)Nc1cc2[nH]ccc2c[nH+]1 ZINC001159319739 964056904 /nfs/dbraw/zinc/05/69/04/964056904.db2.gz CDVSOLUDMUEZLP-JTQLQIEISA-N 1 2 244.254 1.430 20 30 BDEDLO N#Cc1ccc(-c2noc(C[NH+]3CCC3)n2)nc1 ZINC001212095816 964256612 /nfs/dbraw/zinc/25/66/12/964256612.db2.gz VXRYCCKOKJQPGE-UHFFFAOYSA-N 1 2 241.254 1.209 20 30 BDEDLO CC(C)c1ccc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]c1 ZINC001160174967 964263857 /nfs/dbraw/zinc/26/38/57/964263857.db2.gz SHBWEGGRTFQNHJ-CABZTGNLSA-N 1 2 249.314 1.853 20 30 BDEDLO N#CCc1cc[nH+]c(NCCCn2cncn2)c1 ZINC001161961697 964838691 /nfs/dbraw/zinc/83/86/91/964838691.db2.gz ISKAMVSFKGKBRP-UHFFFAOYSA-N 1 2 242.286 1.241 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC#CC ZINC001483684751 965473693 /nfs/dbraw/zinc/47/36/93/965473693.db2.gz XWXREJRUVYSUOT-ZDUSSCGKSA-N 1 2 248.370 1.803 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CC ZINC001483684751 965473702 /nfs/dbraw/zinc/47/37/02/965473702.db2.gz XWXREJRUVYSUOT-ZDUSSCGKSA-N 1 2 248.370 1.803 20 30 BDEDLO C[C@@H]1CCN(c2cc(CC#N)cc[nH+]2)C[C@H]1O ZINC001164273389 965815340 /nfs/dbraw/zinc/81/53/40/965815340.db2.gz NYBODQLKSKGQOP-ZYHUDNBSSA-N 1 2 231.299 1.355 20 30 BDEDLO C[C@H](Cc1cccc(F)c1)N1CC[NH2+]C[C@@H]1C#N ZINC001168480599 965887979 /nfs/dbraw/zinc/88/79/79/965887979.db2.gz NTQDBNWCPVFUMK-RISCZKNCSA-N 1 2 247.317 1.554 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1ncc(F)c2cc[nH]c21 ZINC001164651825 965937168 /nfs/dbraw/zinc/93/71/68/965937168.db2.gz MEDLZSCEFMPRIU-MRVPVSSYSA-N 1 2 245.261 1.004 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2occc2n1 ZINC001164652971 965941460 /nfs/dbraw/zinc/94/14/60/965941460.db2.gz WSYHGEMVPHZPRM-SECBINFHSA-N 1 2 228.255 1.130 20 30 BDEDLO CC(C)(C)c1cc(N2CC[NH2+]C[C@H]2C#N)ncn1 ZINC001164661394 965941920 /nfs/dbraw/zinc/94/19/20/965941920.db2.gz LOAMHVMLVZCZGF-SNVBAGLBSA-N 1 2 245.330 1.076 20 30 BDEDLO Cc1c[nH+]c(N2CCN(CCC#N)CC2)c(N)c1 ZINC001165057033 965952969 /nfs/dbraw/zinc/95/29/69/965952969.db2.gz WKRIGZQICBRNFT-UHFFFAOYSA-N 1 2 245.330 1.008 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC[C@@]3(CCOC3)C2)c1 ZINC001165254226 966011395 /nfs/dbraw/zinc/01/13/95/966011395.db2.gz NPKJEKWYUFMCKI-CQSZACIVSA-N 1 2 243.310 1.764 20 30 BDEDLO Cc1[nH]c2ccc(Cn3cc(C#N)cn3)cc2[nH+]1 ZINC001166048587 966240340 /nfs/dbraw/zinc/24/03/40/966240340.db2.gz ITGIAKHUTFMBHP-UHFFFAOYSA-N 1 2 237.266 1.988 20 30 BDEDLO CN(CC1COC1)c1cc(CC#N)cc[nH+]1 ZINC001166949920 966478533 /nfs/dbraw/zinc/47/85/33/966478533.db2.gz OTRRYEFJOHVBDQ-UHFFFAOYSA-N 1 2 217.272 1.230 20 30 BDEDLO Cc1nc(C#N)c(N=NCc2ccc[nH+]c2N)o1 ZINC000764680178 966793855 /nfs/dbraw/zinc/79/38/55/966793855.db2.gz ABPPEQZCHPZMGO-UHFFFAOYSA-N 1 2 242.242 1.278 20 30 BDEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1F ZINC001203899872 966816679 /nfs/dbraw/zinc/81/66/79/966816679.db2.gz FVIBLDYHJBLUGX-QWHCGFSZSA-N 1 2 234.274 1.727 20 30 BDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1F ZINC001203899872 966816680 /nfs/dbraw/zinc/81/66/80/966816680.db2.gz FVIBLDYHJBLUGX-QWHCGFSZSA-N 1 2 234.274 1.727 20 30 BDEDLO CC(=O)Oc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001203952219 966828926 /nfs/dbraw/zinc/82/89/26/966828926.db2.gz UKEAJEGBSYXCRC-CYBMUJFWSA-N 1 2 244.294 1.957 20 30 BDEDLO CC(=O)Oc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001203952219 966828933 /nfs/dbraw/zinc/82/89/33/966828933.db2.gz UKEAJEGBSYXCRC-CYBMUJFWSA-N 1 2 244.294 1.957 20 30 BDEDLO C=CCN1CC[NH+](Cc2cccc(C)n2)CC1 ZINC001204069612 966879878 /nfs/dbraw/zinc/87/98/78/966879878.db2.gz WSGLYJVFMBHPBY-UHFFFAOYSA-N 1 2 231.343 1.694 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032604742 967004740 /nfs/dbraw/zinc/00/47/40/967004740.db2.gz UCSYGEROYQPZMZ-STQMWFEESA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032604742 967004756 /nfs/dbraw/zinc/00/47/56/967004756.db2.gz UCSYGEROYQPZMZ-STQMWFEESA-N 1 2 244.338 1.261 20 30 BDEDLO C=C(Br)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000691350079 967260300 /nfs/dbraw/zinc/26/03/00/967260300.db2.gz QFJRQABTDSPEPV-QMMMGPOBSA-N 1 2 234.137 1.740 20 30 BDEDLO C=C(Br)C[N@H+](C[C@H](C)O)C1CC1 ZINC000691350079 967260313 /nfs/dbraw/zinc/26/03/13/967260313.db2.gz QFJRQABTDSPEPV-QMMMGPOBSA-N 1 2 234.137 1.740 20 30 BDEDLO Cn1cnc(C#N)c1Nc1ccn2cc[nH+]c2c1 ZINC001204965468 967266892 /nfs/dbraw/zinc/26/68/92/967266892.db2.gz BKVATROMGLIDBW-UHFFFAOYSA-N 1 2 238.254 1.683 20 30 BDEDLO Cn1ccnc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001205138162 967371861 /nfs/dbraw/zinc/37/18/61/967371861.db2.gz ZRVFJMZKXCZBOB-LLVKDONJSA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1ccnc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001205138162 967371872 /nfs/dbraw/zinc/37/18/72/967371872.db2.gz ZRVFJMZKXCZBOB-LLVKDONJSA-N 1 2 218.304 1.546 20 30 BDEDLO N#Cc1cc(CC[NH+]2CCOCC2)ccc1O ZINC001250277318 967609633 /nfs/dbraw/zinc/60/96/33/967609633.db2.gz CVJMRCIOVGUQIR-UHFFFAOYSA-N 1 2 232.283 1.139 20 30 BDEDLO Cc1cc(C#N)cc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001299291733 967769217 /nfs/dbraw/zinc/76/92/17/967769217.db2.gz FIIMETREHVRUDI-UHFFFAOYSA-N 1 2 240.266 1.771 20 30 BDEDLO CC[C@@H]1C[C@H](C=[NH+]n2nnc(C)c2C)CCO1 ZINC001119299307 968316727 /nfs/dbraw/zinc/31/67/27/968316727.db2.gz QFHZDJLRCZQNRJ-VXGBXAGGSA-N 1 2 236.319 1.934 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1cc(CO)on1 ZINC001119700551 968458225 /nfs/dbraw/zinc/45/82/25/968458225.db2.gz HUODVWPCSQMPHQ-RKDXNWHRSA-N 1 2 226.276 1.019 20 30 BDEDLO C/N=C1/NC(=O)C(=Cc2[nH]c(C)c(C)[nH+]2)S1 ZINC000823875138 968562021 /nfs/dbraw/zinc/56/20/21/968562021.db2.gz ZPTMDYHKJIPJQU-QPJJXVBHSA-N 1 2 236.300 1.216 20 30 BDEDLO CN=C1NC(=O)C(=Cc2[nH]c(C)c(C)[nH+]2)S1 ZINC000823875138 968562026 /nfs/dbraw/zinc/56/20/26/968562026.db2.gz ZPTMDYHKJIPJQU-QPJJXVBHSA-N 1 2 236.300 1.216 20 30 BDEDLO CCC[N@H+](CCC#N)Cc1cccc(=O)[nH]1 ZINC001207071188 968600032 /nfs/dbraw/zinc/60/00/32/968600032.db2.gz NEHBLFJKWKHIQE-UHFFFAOYSA-N 1 2 219.288 1.913 20 30 BDEDLO CCC[N@@H+](CCC#N)Cc1cccc(=O)[nH]1 ZINC001207071188 968600038 /nfs/dbraw/zinc/60/00/38/968600038.db2.gz NEHBLFJKWKHIQE-UHFFFAOYSA-N 1 2 219.288 1.913 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CCC1=O ZINC001207102603 968630835 /nfs/dbraw/zinc/63/08/35/968630835.db2.gz CIOUIZTYLNYIAY-LLVKDONJSA-N 1 2 245.326 1.698 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CCC1=O ZINC001207102603 968630844 /nfs/dbraw/zinc/63/08/44/968630844.db2.gz CIOUIZTYLNYIAY-LLVKDONJSA-N 1 2 245.326 1.698 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)C#N)c[nH+]1 ZINC000826670980 968671861 /nfs/dbraw/zinc/67/18/61/968671861.db2.gz OVTSNTJIQRVMCY-SNVBAGLBSA-N 1 2 248.330 1.545 20 30 BDEDLO C=C(C)c1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001240832767 968735016 /nfs/dbraw/zinc/73/50/16/968735016.db2.gz AOCJSFMHEGHKNC-UHFFFAOYSA-N 1 2 217.228 1.729 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](CCCC)C(=O)OC ZINC001252619400 968879249 /nfs/dbraw/zinc/87/92/49/968879249.db2.gz DLUJASSGPHUEDJ-VXGBXAGGSA-N 1 2 243.347 1.635 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2c(C)noc2CC)C1 ZINC001207806516 968891620 /nfs/dbraw/zinc/89/16/20/968891620.db2.gz VUGPJJRACJWCPL-UHFFFAOYSA-N 1 2 236.315 1.668 20 30 BDEDLO N#C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001252846899 969034380 /nfs/dbraw/zinc/03/43/80/969034380.db2.gz FCFGFJNMJKOZEW-MFKMUULPSA-N 1 2 234.274 1.705 20 30 BDEDLO N#C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001252846899 969034393 /nfs/dbraw/zinc/03/43/93/969034393.db2.gz FCFGFJNMJKOZEW-MFKMUULPSA-N 1 2 234.274 1.705 20 30 BDEDLO CC(=O)C=C(C)Nc1[nH+]cc(C)cc1N ZINC001155890930 969116269 /nfs/dbraw/zinc/11/62/69/969116269.db2.gz HCEODUXUGPZNSB-YVMONPNESA-N 1 2 205.261 1.877 20 30 BDEDLO CC(=O)N1CCC(C[N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001208675008 969188456 /nfs/dbraw/zinc/18/84/56/969188456.db2.gz JPKJBQDXLAYKSO-AWEZNQCLSA-N 1 2 249.358 1.623 20 30 BDEDLO CC(=O)N1CCC(C[N@H+]2CCCC[C@H]2C#N)CC1 ZINC001208675008 969188459 /nfs/dbraw/zinc/18/84/59/969188459.db2.gz JPKJBQDXLAYKSO-AWEZNQCLSA-N 1 2 249.358 1.623 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000089944791 969233623 /nfs/dbraw/zinc/23/36/23/969233623.db2.gz INABKQCJOSEUIV-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001253580100 969257718 /nfs/dbraw/zinc/25/77/18/969257718.db2.gz WHBOKCNAVKDOKV-MNOVXSKESA-N 1 2 237.303 1.452 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001253580100 969257727 /nfs/dbraw/zinc/25/77/27/969257727.db2.gz WHBOKCNAVKDOKV-MNOVXSKESA-N 1 2 237.303 1.452 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C(=O)OC ZINC001253745280 969364776 /nfs/dbraw/zinc/36/47/76/969364776.db2.gz KKYZENRPJJHILL-NXEZZACHSA-N 1 2 229.320 1.101 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2NC(=O)c3ccccc32)C1 ZINC001254646020 969761086 /nfs/dbraw/zinc/76/10/86/969761086.db2.gz JAUNBFYZSUTFLA-BREBYQMCSA-N 1 2 241.294 1.710 20 30 BDEDLO C#C[C@@](C)(CC)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001169696967 969816451 /nfs/dbraw/zinc/81/64/51/969816451.db2.gz FFMOPXIVOUSSES-AWEZNQCLSA-N 1 2 244.342 1.678 20 30 BDEDLO C#C[C@@](C)(CC)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001169696967 969816453 /nfs/dbraw/zinc/81/64/53/969816453.db2.gz FFMOPXIVOUSSES-AWEZNQCLSA-N 1 2 244.342 1.678 20 30 BDEDLO Cc1ccc(C#N)c(NCc2cc[nH+]c(N)c2)n1 ZINC001156755982 969994593 /nfs/dbraw/zinc/99/45/93/969994593.db2.gz MLNRKELBVPUYJB-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC001112683666 970147170 /nfs/dbraw/zinc/14/71/70/970147170.db2.gz NBHQVZIBAWGCNE-ZDUSSCGKSA-N 1 2 238.375 1.999 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000301043131 970310517 /nfs/dbraw/zinc/31/05/17/970310517.db2.gz LDLGOWGQLGZLGD-UWVGGRQHSA-N 1 2 213.321 1.986 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(=O)OC ZINC000301043130 970313284 /nfs/dbraw/zinc/31/32/84/970313284.db2.gz LDLGOWGQLGZLGD-NXEZZACHSA-N 1 2 213.321 1.986 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCCF)CC1 ZINC001113215619 970386676 /nfs/dbraw/zinc/38/66/76/970386676.db2.gz WMTWLFBDEDQOEM-UHFFFAOYSA-N 1 2 214.284 1.066 20 30 BDEDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(C#N)cn1)C2 ZINC001144163638 972621969 /nfs/dbraw/zinc/62/19/69/972621969.db2.gz OPEUMLBFFHSSLV-KBPBESRZSA-N 1 2 243.310 1.707 20 30 BDEDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC001144163638 972621983 /nfs/dbraw/zinc/62/19/83/972621983.db2.gz OPEUMLBFFHSSLV-KBPBESRZSA-N 1 2 243.310 1.707 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001276890755 973072132 /nfs/dbraw/zinc/07/21/32/973072132.db2.gz DXMGIQYNXKWIBT-ZDUSSCGKSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001276890755 973072144 /nfs/dbraw/zinc/07/21/44/973072144.db2.gz DXMGIQYNXKWIBT-ZDUSSCGKSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(C)no1 ZINC001328612995 973198817 /nfs/dbraw/zinc/19/88/17/973198817.db2.gz QYSPRPQTKBYNOV-SECBINFHSA-N 1 2 219.288 1.784 20 30 BDEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(C)no1 ZINC001328612995 973198824 /nfs/dbraw/zinc/19/88/24/973198824.db2.gz QYSPRPQTKBYNOV-SECBINFHSA-N 1 2 219.288 1.784 20 30 BDEDLO N#CCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001328657537 973238676 /nfs/dbraw/zinc/23/86/76/973238676.db2.gz PLYRGFIWZJRLOR-NSHDSACASA-N 1 2 246.314 1.398 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001329173979 973545500 /nfs/dbraw/zinc/54/55/00/973545500.db2.gz ZFPVZCROQXMEKI-NEPJUHHUSA-N 1 2 231.299 1.316 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC001147837331 973778246 /nfs/dbraw/zinc/77/82/46/973778246.db2.gz FDWJCJZAKQDGEO-GHMZBOCLSA-N 1 2 244.298 1.159 20 30 BDEDLO N#CC1(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001329684624 973884421 /nfs/dbraw/zinc/88/44/21/973884421.db2.gz VXPLSGPWHWLMTQ-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@](C)(CC)OC)C(=O)OCC ZINC001330622663 974368089 /nfs/dbraw/zinc/36/80/89/974368089.db2.gz UJYZIGLKPABDJA-YPMHNXCESA-N 1 2 243.347 1.899 20 30 BDEDLO N#C[C@@H]1CCCC[N@@H+]1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242562 974505867 /nfs/dbraw/zinc/50/58/67/974505867.db2.gz YALYSEKGWGGMRJ-WODVXLOZSA-N 1 2 218.300 1.850 20 30 BDEDLO Cc1nnn([NH+]=C[C@@H](C)CCC#N)c1C ZINC001330890839 974523488 /nfs/dbraw/zinc/52/34/88/974523488.db2.gz BAGOJCBSTHCTHZ-QMMMGPOBSA-N 1 2 205.265 1.669 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)C#CC(C)(C)C ZINC001330916440 974532300 /nfs/dbraw/zinc/53/23/00/974532300.db2.gz PCLDFPKYNHQCRI-UHFFFAOYSA-N 1 2 219.288 1.086 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)CCOCC)C(=O)OC ZINC001172415623 974683367 /nfs/dbraw/zinc/68/33/67/974683367.db2.gz YIGBKZNRPRICQX-MNOVXSKESA-N 1 2 229.320 1.509 20 30 BDEDLO C[NH+]1CC(Oc2ccc(F)c(C#N)c2)C1 ZINC001225816790 974693416 /nfs/dbraw/zinc/69/34/16/974693416.db2.gz UYKYMVSJCWYAKO-UHFFFAOYSA-N 1 2 206.220 1.390 20 30 BDEDLO CC(C)COCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001172474990 974769235 /nfs/dbraw/zinc/76/92/35/974769235.db2.gz YHPVVQFWXGVTES-QWHCGFSZSA-N 1 2 239.363 1.235 20 30 BDEDLO CCCOC(=O)C[NH2+][C@@H](C)CCCC#N ZINC001172492854 974840427 /nfs/dbraw/zinc/84/04/27/974840427.db2.gz PDMMFQHMKJFYBP-JTQLQIEISA-N 1 2 212.293 1.612 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](CC)C1)C(=O)OC ZINC001173269507 975141067 /nfs/dbraw/zinc/14/10/67/975141067.db2.gz WIMUQRNUFIBVKL-SRVKXCTJSA-N 1 2 223.316 1.720 20 30 BDEDLO CC[NH+]1CC(Oc2cc(C#N)ccc2O)C1 ZINC001227345497 975365328 /nfs/dbraw/zinc/36/53/28/975365328.db2.gz NICJBGOTYKQXTG-UHFFFAOYSA-N 1 2 218.256 1.347 20 30 BDEDLO COC(=O)CCCC[C@H](C)[NH+]1CC(C)(C#N)C1 ZINC001173448116 975391738 /nfs/dbraw/zinc/39/17/38/975391738.db2.gz VDYMJUSNGVPEQP-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227553257 975534092 /nfs/dbraw/zinc/53/40/92/975534092.db2.gz BACQQZGWDGYWSO-KLLCGCCRSA-N 1 2 247.294 1.383 20 30 BDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227553257 975534113 /nfs/dbraw/zinc/53/41/13/975534113.db2.gz BACQQZGWDGYWSO-KLLCGCCRSA-N 1 2 247.294 1.383 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCCSCC1)C(=O)OC ZINC001333907471 976152484 /nfs/dbraw/zinc/15/24/84/976152484.db2.gz IBCZZDSQHOFGAC-MNOVXSKESA-N 1 2 241.356 1.427 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CC#N)C1 ZINC001334741047 976612560 /nfs/dbraw/zinc/61/25/60/976612560.db2.gz YTRRTLDPVZEWHI-LLVKDONJSA-N 1 2 246.314 1.115 20 30 BDEDLO C#Cc1cc(Nc2cnc(C3CC3)nc2)cc[nH+]1 ZINC001174610819 976921928 /nfs/dbraw/zinc/92/19/28/976921928.db2.gz IJEJVNYPZGPMGH-UHFFFAOYSA-N 1 2 236.278 1.896 20 30 BDEDLO C[NH+](C)c1ccc(-n2ccc(C#N)c2N)cc1 ZINC001174877648 977140031 /nfs/dbraw/zinc/14/00/31/977140031.db2.gz MLKVAGIAOHOTLN-UHFFFAOYSA-N 1 2 226.283 1.997 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(C#N)cc2C)C1 ZINC001230678735 977293434 /nfs/dbraw/zinc/29/34/34/977293434.db2.gz YYJSDAHEMHFHHU-UHFFFAOYSA-N 1 2 216.284 1.950 20 30 BDEDLO C#Cc1cnc(N=C2CCC[N@@H+](C)C2)c(C#C)n1 ZINC001175576317 977581333 /nfs/dbraw/zinc/58/13/33/977581333.db2.gz FMESQEAGPCZBAG-UHFFFAOYSA-N 1 2 238.294 1.071 20 30 BDEDLO C#Cc1cnc(N=C2CCC[N@H+](C)C2)c(C#C)n1 ZINC001175576317 977581342 /nfs/dbraw/zinc/58/13/42/977581342.db2.gz FMESQEAGPCZBAG-UHFFFAOYSA-N 1 2 238.294 1.071 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccc(CC)cn2)CC1 ZINC001231640713 977661464 /nfs/dbraw/zinc/66/14/64/977661464.db2.gz GPCDNAHILOUQCB-UHFFFAOYSA-N 1 2 245.370 1.948 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)COCCCC)C1 ZINC001277575680 977759853 /nfs/dbraw/zinc/75/98/53/977759853.db2.gz NIVDIZMELPAAMR-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO C#CC[N@@H+](Cc1ncc(C)o1)CC1CC1 ZINC001336709323 977875937 /nfs/dbraw/zinc/87/59/37/977875937.db2.gz VKJMPZLKAKWYIT-UHFFFAOYSA-N 1 2 204.273 1.828 20 30 BDEDLO C#CC[N@H+](Cc1ncc(C)o1)CC1CC1 ZINC001336709323 977875941 /nfs/dbraw/zinc/87/59/41/977875941.db2.gz VKJMPZLKAKWYIT-UHFFFAOYSA-N 1 2 204.273 1.828 20 30 BDEDLO COc1cc[nH+]cc1Nc1oncc1C#N ZINC001176119017 977954241 /nfs/dbraw/zinc/95/42/41/977954241.db2.gz SJYJOKLXCPFHDJ-UHFFFAOYSA-N 1 2 216.200 1.693 20 30 BDEDLO N#C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001176826069 978191945 /nfs/dbraw/zinc/19/19/45/978191945.db2.gz FRYBZECZQKEZEB-LBPRGKRZSA-N 1 2 240.266 1.333 20 30 BDEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673721 978235581 /nfs/dbraw/zinc/23/55/81/978235581.db2.gz LVUNQQLUOXQLAC-CQSZACIVSA-N 1 2 246.310 1.468 20 30 BDEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673721 978235596 /nfs/dbraw/zinc/23/55/96/978235596.db2.gz LVUNQQLUOXQLAC-CQSZACIVSA-N 1 2 246.310 1.468 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC23COC3)c1 ZINC001232679656 978245420 /nfs/dbraw/zinc/24/54/20/978245420.db2.gz PWSRBYNHYIVLHT-UHFFFAOYSA-N 1 2 244.294 1.629 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC23COC3)c1 ZINC001232679656 978245431 /nfs/dbraw/zinc/24/54/31/978245431.db2.gz PWSRBYNHYIVLHT-UHFFFAOYSA-N 1 2 244.294 1.629 20 30 BDEDLO Cc1noc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001177917328 978472891 /nfs/dbraw/zinc/47/28/91/978472891.db2.gz GIRQCMNTNNLBMS-MRVPVSSYSA-N 1 2 245.242 1.251 20 30 BDEDLO O=C(CCc1[nH]cc[nH+]1)NC1=CC(=O)CCC1 ZINC001177997032 978483242 /nfs/dbraw/zinc/48/32/42/978483242.db2.gz VYUHQWPQVJSFPE-UHFFFAOYSA-N 1 2 233.271 1.095 20 30 BDEDLO CC(C)C[C@](C)(C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000584 978486158 /nfs/dbraw/zinc/48/61/58/978486158.db2.gz VEYVEAJPIOLKDV-CYBMUJFWSA-N 1 2 248.330 1.787 20 30 BDEDLO N#Cc1sccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177993249 978493409 /nfs/dbraw/zinc/49/34/09/978493409.db2.gz KBZIGCAGMVJICS-UHFFFAOYSA-N 1 2 246.295 1.914 20 30 BDEDLO CCN(CC[NH+](C)C)Cc1ccc(C#N)cc1O ZINC001233383725 978592136 /nfs/dbraw/zinc/59/21/36/978592136.db2.gz UAUMGUOVMHURQZ-UHFFFAOYSA-N 1 2 247.342 1.647 20 30 BDEDLO CC[N@H+](CCN(C)C)Cc1ccc(C#N)cc1O ZINC001233383725 978592141 /nfs/dbraw/zinc/59/21/41/978592141.db2.gz UAUMGUOVMHURQZ-UHFFFAOYSA-N 1 2 247.342 1.647 20 30 BDEDLO CC[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1O ZINC001233383725 978592145 /nfs/dbraw/zinc/59/21/45/978592145.db2.gz UAUMGUOVMHURQZ-UHFFFAOYSA-N 1 2 247.342 1.647 20 30 BDEDLO C[NH+]1CC2(CN(Cc3ccc(C#N)cc3O)C2)C1 ZINC001233388416 978598170 /nfs/dbraw/zinc/59/81/70/978598170.db2.gz YLLIZFCXFDFXGY-UHFFFAOYSA-N 1 2 243.310 1.011 20 30 BDEDLO CN1CC2(C1)C[NH+](Cc1ccc(C#N)cc1O)C2 ZINC001233388416 978598173 /nfs/dbraw/zinc/59/81/73/978598173.db2.gz YLLIZFCXFDFXGY-UHFFFAOYSA-N 1 2 243.310 1.011 20 30 BDEDLO CC[NH+]1CC(Oc2ccc(C(C)=NO)cc2)C1 ZINC001234081172 978766231 /nfs/dbraw/zinc/76/62/31/978766231.db2.gz FNNDVKFRBDCIHY-UHFFFAOYSA-N 1 2 234.299 1.968 20 30 BDEDLO CC(=NO)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001234082844 978766267 /nfs/dbraw/zinc/76/62/67/978766267.db2.gz XLXNTPOHYGTYQZ-UHFFFAOYSA-N 1 2 220.272 1.578 20 30 BDEDLO Cc1nc(C#N)c(NC(=O)[C@H](C)[NH+]2CCCC2)o1 ZINC001180578075 978898945 /nfs/dbraw/zinc/89/89/45/978898945.db2.gz YAXHYRMUZMHUPR-QMMMGPOBSA-N 1 2 248.286 1.278 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cc(C)cnc2F)CC1 ZINC001235333954 979027432 /nfs/dbraw/zinc/02/74/32/979027432.db2.gz BJRNWAGBRWSILR-UHFFFAOYSA-N 1 2 247.317 1.280 20 30 BDEDLO CCN(CCC#N)Cc1c(C)[nH+]cn1C ZINC001235540329 979087951 /nfs/dbraw/zinc/08/79/51/979087951.db2.gz DNMKBWNXYNWORN-UHFFFAOYSA-N 1 2 206.293 1.464 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237459535 979896297 /nfs/dbraw/zinc/89/62/97/979896297.db2.gz TXZMOXAZTRDBRD-MWLCHTKSSA-N 1 2 219.263 1.886 20 30 BDEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccnc(C#N)c1 ZINC001237459535 979896301 /nfs/dbraw/zinc/89/63/01/979896301.db2.gz TXZMOXAZTRDBRD-MWLCHTKSSA-N 1 2 219.263 1.886 20 30 BDEDLO CCn1c[nH+]cc1CN1CCCC[C@H]1C#N ZINC001237597766 979956734 /nfs/dbraw/zinc/95/67/34/979956734.db2.gz XTJCSTRCTWBTJA-NSHDSACASA-N 1 2 218.304 1.781 20 30 BDEDLO C#CC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001344058803 980330140 /nfs/dbraw/zinc/33/01/40/980330140.db2.gz NPUBKKYIUFMUCY-QWRGUYRKSA-N 1 2 220.272 1.789 20 30 BDEDLO COc1cccc(CC[NH+]2CCOCC2)c1C#N ZINC001250278057 980649957 /nfs/dbraw/zinc/64/99/57/980649957.db2.gz RWENVXXHZCRWGL-UHFFFAOYSA-N 1 2 246.310 1.442 20 30 BDEDLO C=C/C(=[NH+]\COC)c1cnc(OC)c(N)c1 ZINC001239628925 980817704 /nfs/dbraw/zinc/81/77/04/980817704.db2.gz VFBZEXURPFSKIU-GXDHUFHOSA-N 1 2 221.260 1.251 20 30 BDEDLO C=C(CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC001347089119 980968090 /nfs/dbraw/zinc/96/80/90/980968090.db2.gz NJJVVHNHNDOHJW-UHFFFAOYSA-N 1 2 205.261 1.192 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCCC12CC2)C(=O)OC ZINC001347396538 981060443 /nfs/dbraw/zinc/06/04/43/981060443.db2.gz XVZKZMCXRVDSQW-MNOVXSKESA-N 1 2 221.300 1.474 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C#N)CC1 ZINC001348457488 981366087 /nfs/dbraw/zinc/36/60/87/981366087.db2.gz FGFGTMYYEUTONM-JTQLQIEISA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C#N)CC1 ZINC001348457488 981366091 /nfs/dbraw/zinc/36/60/91/981366091.db2.gz FGFGTMYYEUTONM-JTQLQIEISA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@@H](CCc1ccccc1)[NH+]1CC(O)(CC#N)C1 ZINC001193704556 981426162 /nfs/dbraw/zinc/42/61/62/981426162.db2.gz VRSJWQRKEGBSKD-ZDUSSCGKSA-N 1 2 244.338 1.968 20 30 BDEDLO CC(C)C#CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001349520711 981571661 /nfs/dbraw/zinc/57/16/61/981571661.db2.gz QBSJVYDLJZRWCH-UHFFFAOYSA-N 1 2 249.314 1.012 20 30 BDEDLO C=CCOC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001194310096 981651174 /nfs/dbraw/zinc/65/11/74/981651174.db2.gz JITNJESBXWLQIA-GFCCVEGCSA-N 1 2 248.282 1.857 20 30 BDEDLO C=C(C)c1nc2[nH]cc(C(=O)OC)c2c[nH+]1 ZINC001240832785 981873477 /nfs/dbraw/zinc/87/34/77/981873477.db2.gz BRGDRTVXTTVDDO-UHFFFAOYSA-N 1 2 217.228 1.729 20 30 BDEDLO C=C(CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001351153100 982218056 /nfs/dbraw/zinc/21/80/56/982218056.db2.gz QHHONTXHWZLHFT-NEPJUHHUSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](C)O)[C@@H](C)CC ZINC001251969978 983052736 /nfs/dbraw/zinc/05/27/36/983052736.db2.gz BVBXPYALMSDBDA-DCAQKATOSA-N 1 2 229.320 1.101 20 30 BDEDLO N#Cc1ccc(O)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201285413 983160025 /nfs/dbraw/zinc/16/00/25/983160025.db2.gz HNCGKUKROLABNX-UHFFFAOYSA-N 1 2 226.239 1.985 20 30 BDEDLO Cc1nnc(CC[N@@H+](C)C[C@H](C)C#N)o1 ZINC001354407947 983300737 /nfs/dbraw/zinc/30/07/37/983300737.db2.gz SUFQMDOCIILTET-MRVPVSSYSA-N 1 2 208.265 1.012 20 30 BDEDLO Cc1nnc(CC[N@H+](C)C[C@H](C)C#N)o1 ZINC001354407947 983300741 /nfs/dbraw/zinc/30/07/41/983300741.db2.gz SUFQMDOCIILTET-MRVPVSSYSA-N 1 2 208.265 1.012 20 30 BDEDLO Cc1cnc(-c2c[nH+]c(N)cc2C)c(C#N)n1 ZINC001242078418 983327359 /nfs/dbraw/zinc/32/73/59/983327359.db2.gz KHKSRQAFDTZMKA-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO COc1ccc(C#N)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242096306 983338601 /nfs/dbraw/zinc/33/86/01/983338601.db2.gz GPQXGKPKFNIROP-UHFFFAOYSA-N 1 2 240.266 1.915 20 30 BDEDLO N#Cc1ncccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001242311266 983540559 /nfs/dbraw/zinc/54/05/59/983540559.db2.gz RNSIGJRAEXLQRR-UHFFFAOYSA-N 1 2 235.250 1.850 20 30 BDEDLO C=CCN1CC[NH+](CCC(F)(F)F)CC1 ZINC001202347531 983628398 /nfs/dbraw/zinc/62/83/98/983628398.db2.gz IDFNSYWQQUYYKB-UHFFFAOYSA-N 1 2 222.254 1.742 20 30 BDEDLO C=C(C)CCC(=O)NCCCn1cc[nH+]c1 ZINC001356556516 983628785 /nfs/dbraw/zinc/62/87/85/983628785.db2.gz HPNQIYNQQMEDDB-UHFFFAOYSA-N 1 2 221.304 1.746 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001588662520 983789867 /nfs/dbraw/zinc/78/98/67/983789867.db2.gz AZQCLWGTZJSSDN-UWVGGRQHSA-N 1 2 235.287 1.228 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001588662520 983789870 /nfs/dbraw/zinc/78/98/70/983789870.db2.gz AZQCLWGTZJSSDN-UWVGGRQHSA-N 1 2 235.287 1.228 20 30 BDEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC001588663269 983793934 /nfs/dbraw/zinc/79/39/34/983793934.db2.gz LJLHFZUJVXPSOL-NSHDSACASA-N 1 2 235.287 1.228 20 30 BDEDLO C=CCNC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001202576275 984078793 /nfs/dbraw/zinc/07/87/93/984078793.db2.gz PURJVGLGUKRBRV-UHFFFAOYSA-N 1 2 244.298 1.628 20 30 BDEDLO C=C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001545727238 984131051 /nfs/dbraw/zinc/13/10/51/984131051.db2.gz JAJJVZXELXYCSX-QMMMGPOBSA-N 1 2 215.256 1.867 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ocnc2C)C1=O ZINC001331547305 984219770 /nfs/dbraw/zinc/21/97/70/984219770.db2.gz IBCHYXAPFIWKHJ-NSHDSACASA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ocnc2C)C1=O ZINC001331547305 984219775 /nfs/dbraw/zinc/21/97/75/984219775.db2.gz IBCHYXAPFIWKHJ-NSHDSACASA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2CCC#N)C1=O ZINC001274031046 984242273 /nfs/dbraw/zinc/24/22/73/984242273.db2.gz GDYPMLDHCSVKRJ-CYBMUJFWSA-N 1 2 233.315 1.153 20 30 BDEDLO C=CCN1CC[C@]2(CCC[N@H+]2CCC#N)C1=O ZINC001274031046 984242285 /nfs/dbraw/zinc/24/22/85/984242285.db2.gz GDYPMLDHCSVKRJ-CYBMUJFWSA-N 1 2 233.315 1.153 20 30 BDEDLO C=CCONC(=O)c1cccc2[nH+]ccn21 ZINC001449659673 984845011 /nfs/dbraw/zinc/84/50/11/984845011.db2.gz WLXWTZCIJBXVQB-UHFFFAOYSA-N 1 2 217.228 1.182 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001449900648 984848721 /nfs/dbraw/zinc/84/87/21/984848721.db2.gz PHSVWHIPWSDENX-NEPJUHHUSA-N 1 2 249.314 1.192 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001449900648 984848727 /nfs/dbraw/zinc/84/87/27/984848727.db2.gz PHSVWHIPWSDENX-NEPJUHHUSA-N 1 2 249.314 1.192 20 30 BDEDLO C#CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC000928629465 984899760 /nfs/dbraw/zinc/89/97/60/984899760.db2.gz ZSOCCBNUYGHXQH-UHFFFAOYSA-N 1 2 233.315 1.534 20 30 BDEDLO N#CCc1ncc(-c2ccc[nH+]c2N)cn1 ZINC001243474727 985029116 /nfs/dbraw/zinc/02/91/16/985029116.db2.gz PWHSELLQDVKHNR-UHFFFAOYSA-N 1 2 211.228 1.187 20 30 BDEDLO COC(CC[N@@H+]1Cc2cccc(C#N)c2C1)OC ZINC000686616694 985177587 /nfs/dbraw/zinc/17/75/87/985177587.db2.gz BYIOUNGHPNQSOO-UHFFFAOYSA-N 1 2 246.310 1.883 20 30 BDEDLO COC(CC[N@H+]1Cc2cccc(C#N)c2C1)OC ZINC000686616694 985177605 /nfs/dbraw/zinc/17/76/05/985177605.db2.gz BYIOUNGHPNQSOO-UHFFFAOYSA-N 1 2 246.310 1.883 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC001460339232 985832495 /nfs/dbraw/zinc/83/24/95/985832495.db2.gz KVTHDXLHSZYBHI-WOPDTQHZSA-N 1 2 239.315 1.051 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC001460339232 985832497 /nfs/dbraw/zinc/83/24/97/985832497.db2.gz KVTHDXLHSZYBHI-WOPDTQHZSA-N 1 2 239.315 1.051 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001258725231 986064801 /nfs/dbraw/zinc/06/48/01/986064801.db2.gz HRIOKNQHHFBATJ-PWSUYJOCSA-N 1 2 227.304 1.263 20 30 BDEDLO COCn1ncc(C)c1C[NH2+][C@@H](C)CC#N ZINC001461724674 986127281 /nfs/dbraw/zinc/12/72/81/986127281.db2.gz PQOWHEMVIWGEDM-JTQLQIEISA-N 1 2 222.292 1.187 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001253584924 986163573 /nfs/dbraw/zinc/16/35/73/986163573.db2.gz SMCPJIPWYGCTFF-WCQYABFASA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001253584924 986163584 /nfs/dbraw/zinc/16/35/84/986163584.db2.gz SMCPJIPWYGCTFF-WCQYABFASA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001253587066 986171900 /nfs/dbraw/zinc/17/19/00/986171900.db2.gz YJQWQLIGJHTBGK-QWHCGFSZSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001253587066 986171908 /nfs/dbraw/zinc/17/19/08/986171908.db2.gz YJQWQLIGJHTBGK-QWHCGFSZSA-N 1 2 234.299 1.002 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@@H](CC)COC)C(=O)OCC ZINC001462250140 986325084 /nfs/dbraw/zinc/32/50/84/986325084.db2.gz QZVUVBWFIWKSKZ-NWDGAFQWSA-N 1 2 243.347 1.899 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2coc(C)c2)C1 ZINC001042655947 986329595 /nfs/dbraw/zinc/32/95/95/986329595.db2.gz SPLXDCATCNCYDW-UHFFFAOYSA-N 1 2 248.326 1.920 20 30 BDEDLO Cc1cc(C)c(C[N@@H+]2CC[C@@H](C#N)C2)[nH]1 ZINC001137329535 986782821 /nfs/dbraw/zinc/78/28/21/986782821.db2.gz DTLMBUZXXZKQKV-NSHDSACASA-N 1 2 203.289 1.977 20 30 BDEDLO Cc1cc(C)c(C[N@H+]2CC[C@@H](C#N)C2)[nH]1 ZINC001137329535 986782827 /nfs/dbraw/zinc/78/28/27/986782827.db2.gz DTLMBUZXXZKQKV-NSHDSACASA-N 1 2 203.289 1.977 20 30 BDEDLO C#CC[NH+](CC#C)Cc1[nH]c(C)cc1C ZINC001137332481 986799270 /nfs/dbraw/zinc/79/92/70/986799270.db2.gz WFYXMBHOXFPPPV-UHFFFAOYSA-N 1 2 200.285 1.700 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC001255173042 986865290 /nfs/dbraw/zinc/86/52/90/986865290.db2.gz VYEHXNSKXBJYBZ-NWDGAFQWSA-N 1 2 223.320 1.279 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC001255173042 986865292 /nfs/dbraw/zinc/86/52/92/986865292.db2.gz VYEHXNSKXBJYBZ-NWDGAFQWSA-N 1 2 223.320 1.279 20 30 BDEDLO CC[C@@H](CC#N)[N@H+](C)CC(OC)OC ZINC001255173132 986865374 /nfs/dbraw/zinc/86/53/74/986865374.db2.gz IEHLNBOFAJOWTP-VIFPVBQESA-N 1 2 200.282 1.229 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+](C)CC(OC)OC ZINC001255173132 986865376 /nfs/dbraw/zinc/86/53/76/986865376.db2.gz IEHLNBOFAJOWTP-VIFPVBQESA-N 1 2 200.282 1.229 20 30 BDEDLO COc1nc(-c2c[nH+]c(N)c(C)c2)ccc1C#N ZINC001245536778 986915091 /nfs/dbraw/zinc/91/50/91/986915091.db2.gz ZJVXQEDCSSVMCD-UHFFFAOYSA-N 1 2 240.266 1.915 20 30 BDEDLO CCc1[nH]c(CNC(=O)C2(C#N)CCCC2)c[nH+]1 ZINC001472019330 987156704 /nfs/dbraw/zinc/15/67/04/987156704.db2.gz ZDOYAUOYNGGCAB-UHFFFAOYSA-N 1 2 246.314 1.672 20 30 BDEDLO CCc1[nH]cc(CNC(=O)C2(C#N)CCCC2)[nH+]1 ZINC001472019330 987156717 /nfs/dbraw/zinc/15/67/17/987156717.db2.gz ZDOYAUOYNGGCAB-UHFFFAOYSA-N 1 2 246.314 1.672 20 30 BDEDLO C#CC[C@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC001473330944 987397463 /nfs/dbraw/zinc/39/74/63/987397463.db2.gz CPUNPPMERYJXOY-ZDUSSCGKSA-N 1 2 227.267 1.924 20 30 BDEDLO Cc1[nH]c([C@H]2CCCN2CC#N)[nH+]c1C ZINC001473790660 987560115 /nfs/dbraw/zinc/56/01/15/987560115.db2.gz MJDQMRNDKMYRTF-SNVBAGLBSA-N 1 2 204.277 1.687 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC001474752384 987818502 /nfs/dbraw/zinc/81/85/02/987818502.db2.gz WVCMCCDSUQBJMO-UHFFFAOYSA-N 1 2 247.342 1.420 20 30 BDEDLO CC(C)=CC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001480342851 987968731 /nfs/dbraw/zinc/96/87/31/987968731.db2.gz UDMLZLWHSFRNIQ-GFCCVEGCSA-N 1 2 235.331 1.256 20 30 BDEDLO C=C[C@@H]([NH2+]C1(C2CC2)CCOCC1)C(=O)OC ZINC001322409102 988250530 /nfs/dbraw/zinc/25/05/30/988250530.db2.gz SAYUZAPZYWRMEF-LLVKDONJSA-N 1 2 239.315 1.263 20 30 BDEDLO CN1C[C@H](C[N@@H+]2CCC[C@@](C)(C#N)C2)OC1=O ZINC001324266287 988767385 /nfs/dbraw/zinc/76/73/85/988767385.db2.gz JWEZAUSIIUQETQ-PWSUYJOCSA-N 1 2 237.303 1.063 20 30 BDEDLO CN1C[C@H](C[N@H+]2CCC[C@@](C)(C#N)C2)OC1=O ZINC001324266287 988767392 /nfs/dbraw/zinc/76/73/92/988767392.db2.gz JWEZAUSIIUQETQ-PWSUYJOCSA-N 1 2 237.303 1.063 20 30 BDEDLO C=CCCNC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001247599632 988943615 /nfs/dbraw/zinc/94/36/15/988943615.db2.gz NIWAKVHGKRWJNU-UHFFFAOYSA-N 1 2 247.367 1.855 20 30 BDEDLO C=CCCNC(=S)N1CC[NH+](CC=C)CC1 ZINC001247625467 988950504 /nfs/dbraw/zinc/95/05/04/988950504.db2.gz ZVBLUAJXTOZXGK-UHFFFAOYSA-N 1 2 239.388 1.241 20 30 BDEDLO C=CCCCNC(=S)Nc1c[nH+]c(C)n1C ZINC001247713925 989002331 /nfs/dbraw/zinc/00/23/31/989002331.db2.gz KTPVJNRCJDNWDM-UHFFFAOYSA-N 1 2 238.360 1.981 20 30 BDEDLO CCc1cc(C#N)ccc1C[NH+]1CCOCC1 ZINC001248743434 989141465 /nfs/dbraw/zinc/14/14/65/989141465.db2.gz VXUXUIZPJVREFC-UHFFFAOYSA-N 1 2 230.311 1.953 20 30 BDEDLO CCn1c[nH+]cc1COC(=O)c1ccc(C#N)[nH]1 ZINC001520442756 989562584 /nfs/dbraw/zinc/56/25/84/989562584.db2.gz RQURLEYUSLKWLA-UHFFFAOYSA-N 1 2 244.254 1.460 20 30 BDEDLO C=CC(C)(C)CNC(=O)CCCn1cc[nH+]c1 ZINC001326707393 989658738 /nfs/dbraw/zinc/65/87/38/989658738.db2.gz NISAKEDYQMHPDL-UHFFFAOYSA-N 1 2 235.331 1.992 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001533106962 990421340 /nfs/dbraw/zinc/42/13/40/990421340.db2.gz CSHPQPOQHWYVGS-PSASIEDQSA-N 1 2 226.239 1.432 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCCCc1c[nH+]cn1C ZINC001122972914 990477499 /nfs/dbraw/zinc/47/74/99/990477499.db2.gz AJPODQNUHUXYNL-JTQLQIEISA-N 1 2 235.287 1.446 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138128448 990887282 /nfs/dbraw/zinc/88/72/82/990887282.db2.gz KTIAAPFPBJNJBC-SECBINFHSA-N 1 2 220.247 1.877 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138128448 990887284 /nfs/dbraw/zinc/88/72/84/990887284.db2.gz KTIAAPFPBJNJBC-SECBINFHSA-N 1 2 220.247 1.877 20 30 BDEDLO CC(C)=CCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258087301 990993352 /nfs/dbraw/zinc/99/33/52/990993352.db2.gz BYILROKAZDMHOW-QWHCGFSZSA-N 1 2 221.348 1.919 20 30 BDEDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NO ZINC001558908338 991002414 /nfs/dbraw/zinc/00/24/14/991002414.db2.gz HMCKZTQWRSFUBG-SNVBAGLBSA-N 1 2 231.255 1.437 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138780875 991038187 /nfs/dbraw/zinc/03/81/87/991038187.db2.gz LZMFESZILSDDFV-ZDUSSCGKSA-N 1 2 233.315 1.647 20 30 BDEDLO C#CC[N@H+](C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138780875 991038190 /nfs/dbraw/zinc/03/81/90/991038190.db2.gz LZMFESZILSDDFV-ZDUSSCGKSA-N 1 2 233.315 1.647 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1ccc2c(c1)OCO2 ZINC001559581375 991164400 /nfs/dbraw/zinc/16/44/00/991164400.db2.gz GEKNAWFVZBGKQG-UHFFFAOYSA-N 1 2 248.282 1.640 20 30 BDEDLO C[N@H+](CCC#N)CCOc1ccc2c(c1)OCO2 ZINC001559581375 991164413 /nfs/dbraw/zinc/16/44/13/991164413.db2.gz GEKNAWFVZBGKQG-UHFFFAOYSA-N 1 2 248.282 1.640 20 30 BDEDLO CC1(C)CCC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001258287402 991221383 /nfs/dbraw/zinc/22/13/83/991221383.db2.gz ZQLLELPXASWJDC-NWDGAFQWSA-N 1 2 221.348 1.753 20 30 BDEDLO CC(C)(O)[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC001559960764 991341494 /nfs/dbraw/zinc/34/14/94/991341494.db2.gz XSDAQECLMYJAOY-CYBMUJFWSA-N 1 2 246.310 1.006 20 30 BDEDLO CC(C)(O)[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC001559960764 991341499 /nfs/dbraw/zinc/34/14/99/991341499.db2.gz XSDAQECLMYJAOY-CYBMUJFWSA-N 1 2 246.310 1.006 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nccn1C ZINC001258392386 991344488 /nfs/dbraw/zinc/34/44/88/991344488.db2.gz XVBWTQKYMGQYGY-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258595254 991492442 /nfs/dbraw/zinc/49/24/42/991492442.db2.gz SFDGNCSLLOZWPU-BDAKNGLRSA-N 1 2 231.361 1.626 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1c(C2CC2)cnn1C ZINC001560574891 991504125 /nfs/dbraw/zinc/50/41/25/991504125.db2.gz PQKOGJBSNCWBJM-SECBINFHSA-N 1 2 218.304 1.689 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccncc2O)C1 ZINC001140277362 991590137 /nfs/dbraw/zinc/59/01/37/991590137.db2.gz WURYYLWNEXLNNJ-JTQLQIEISA-N 1 2 217.272 1.523 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2ccncc2O)C1 ZINC001140277362 991590148 /nfs/dbraw/zinc/59/01/48/991590148.db2.gz WURYYLWNEXLNNJ-JTQLQIEISA-N 1 2 217.272 1.523 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1c(Cl)ccnc1F ZINC001560822906 991615877 /nfs/dbraw/zinc/61/58/77/991615877.db2.gz NZUMPSPGRASDGF-ZETCQYMHSA-N 1 2 212.655 1.985 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CC[C@@H](C)CC)C1 ZINC001318071574 991616430 /nfs/dbraw/zinc/61/64/30/991616430.db2.gz QDTGBYORHVZTAQ-NSHDSACASA-N 1 2 224.348 1.799 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386874 991631176 /nfs/dbraw/zinc/63/11/76/991631176.db2.gz WCROPDKVHJNKLW-LLVKDONJSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386874 991631180 /nfs/dbraw/zinc/63/11/80/991631180.db2.gz WCROPDKVHJNKLW-LLVKDONJSA-N 1 2 226.283 1.908 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001258722768 991656038 /nfs/dbraw/zinc/65/60/38/991656038.db2.gz UHHMSBJBCUBHOW-QWRGUYRKSA-N 1 2 243.347 1.633 20 30 BDEDLO C#CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)CC1CC1 ZINC001319666948 991927479 /nfs/dbraw/zinc/92/74/79/991927479.db2.gz RLTNMDMXDGNPDH-UHFFFAOYSA-N 1 2 245.326 1.590 20 30 BDEDLO C#CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)CC1CC1 ZINC001319666948 991927505 /nfs/dbraw/zinc/92/75/05/991927505.db2.gz RLTNMDMXDGNPDH-UHFFFAOYSA-N 1 2 245.326 1.590 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CCC2CC2)C1 ZINC001567788482 992089668 /nfs/dbraw/zinc/08/96/68/992089668.db2.gz NUQWGKRNDYSUGJ-UHFFFAOYSA-N 1 2 220.316 1.000 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320317931 992169699 /nfs/dbraw/zinc/16/96/99/992169699.db2.gz VOHIJDCDLXEGAF-VHSXEESVSA-N 1 2 220.276 1.108 20 30 BDEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001569371134 992374760 /nfs/dbraw/zinc/37/47/60/992374760.db2.gz RZLDSBDBKAAVSB-LLVKDONJSA-N 1 2 228.311 1.503 20 30 BDEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001569371134 992374768 /nfs/dbraw/zinc/37/47/68/992374768.db2.gz RZLDSBDBKAAVSB-LLVKDONJSA-N 1 2 228.311 1.503 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001569371446 992374976 /nfs/dbraw/zinc/37/49/76/992374976.db2.gz XGRLMXLFCFHUEU-GFCCVEGCSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001569371446 992374985 /nfs/dbraw/zinc/37/49/85/992374985.db2.gz XGRLMXLFCFHUEU-GFCCVEGCSA-N 1 2 234.343 1.390 20 30 BDEDLO C=CCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001321006364 992427843 /nfs/dbraw/zinc/42/78/43/992427843.db2.gz VSCRJMNMDRISBN-JTQLQIEISA-N 1 2 207.277 1.527 20 30 BDEDLO N#CC[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001261747874 992487030 /nfs/dbraw/zinc/48/70/30/992487030.db2.gz BUPIECKLPJTTSF-LLVKDONJSA-N 1 2 246.314 1.495 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NCCCCC#N ZINC001321326802 992516784 /nfs/dbraw/zinc/51/67/84/992516784.db2.gz YGHUTOMUPKNXFA-UHFFFAOYSA-N 1 2 234.303 1.163 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001263812324 993530705 /nfs/dbraw/zinc/53/07/05/993530705.db2.gz LLBDANLWLDEXDE-ZDUSSCGKSA-N 1 2 248.370 1.755 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001263812324 993530714 /nfs/dbraw/zinc/53/07/14/993530714.db2.gz LLBDANLWLDEXDE-ZDUSSCGKSA-N 1 2 248.370 1.755 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602088287 349435276 /nfs/dbraw/zinc/43/52/76/349435276.db2.gz KMVNDZANKPXUIH-GHMZBOCLSA-N 1 2 246.314 1.664 20 30 BDEDLO CC(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602088287 349435279 /nfs/dbraw/zinc/43/52/79/349435279.db2.gz KMVNDZANKPXUIH-GHMZBOCLSA-N 1 2 246.314 1.664 20 30 BDEDLO CCc1c[nH]c(CC(=O)NCC2(C#N)CCC2)[nH+]1 ZINC000602162455 349466134 /nfs/dbraw/zinc/46/61/34/349466134.db2.gz BJLNOKQTMAPCFB-UHFFFAOYSA-N 1 2 246.314 1.325 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(CC)[C@@H](C)C#N)[nH+]1 ZINC000602189151 349469729 /nfs/dbraw/zinc/46/97/29/349469729.db2.gz SHCLFLBSUKCNTQ-VIFPVBQESA-N 1 2 234.303 1.275 20 30 BDEDLO C=C(C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649910152 398182922 /nfs/dbraw/zinc/18/29/22/398182922.db2.gz GMKWEJFZPVCRLV-LLVKDONJSA-N 1 2 221.304 1.869 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCC12CC2 ZINC000602336732 349509707 /nfs/dbraw/zinc/50/97/07/349509707.db2.gz ZRPOXQHCCJIMSY-DGCLKSJQSA-N 1 2 249.358 1.527 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NC1CCCCCC1 ZINC000339751726 398162711 /nfs/dbraw/zinc/16/27/11/398162711.db2.gz DDHQZFVWFVXILO-UHFFFAOYSA-N 1 2 236.359 1.781 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NC1CCCCCC1 ZINC000339751726 398162715 /nfs/dbraw/zinc/16/27/15/398162715.db2.gz DDHQZFVWFVXILO-UHFFFAOYSA-N 1 2 236.359 1.781 20 30 BDEDLO Cc1cc(NCC[NH+]2CCOCC2)cc(C#N)n1 ZINC000308270356 178162124 /nfs/dbraw/zinc/16/21/24/178162124.db2.gz WAJXKZQJASRSCE-UHFFFAOYSA-N 1 2 246.314 1.006 20 30 BDEDLO Cc1cc(NCc2c[nH+]cn2C)cc(C#N)n1 ZINC000308280440 178174847 /nfs/dbraw/zinc/17/48/47/178174847.db2.gz XYQBWCLWYVYQHG-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C=C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000334195543 136223923 /nfs/dbraw/zinc/22/39/23/136223923.db2.gz KNUUCPXYWZRXPO-UHFFFAOYSA-N 1 2 203.289 1.937 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421357363 192332200 /nfs/dbraw/zinc/33/22/00/192332200.db2.gz NSRVXLYIHUKBFW-MRVPVSSYSA-N 1 2 229.711 1.018 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC#CC ZINC000293267382 398257926 /nfs/dbraw/zinc/25/79/26/398257926.db2.gz UTCNRAXSQKZTSB-UHFFFAOYSA-N 1 2 222.332 1.366 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC#CC ZINC000293267382 398257927 /nfs/dbraw/zinc/25/79/27/398257927.db2.gz UTCNRAXSQKZTSB-UHFFFAOYSA-N 1 2 222.332 1.366 20 30 BDEDLO C[C@H](C#N)CN(C)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602446751 349547725 /nfs/dbraw/zinc/54/77/25/349547725.db2.gz IXXJOINOPOJNLU-ZYHUDNBSSA-N 1 2 232.331 1.963 20 30 BDEDLO COC(=O)c1[nH]c(C[N@H+](C)C[C@H](C)C#N)cc1C ZINC000602448979 349549706 /nfs/dbraw/zinc/54/97/06/349549706.db2.gz XIECCXSHWVDKJE-SECBINFHSA-N 1 2 249.314 1.701 20 30 BDEDLO COC(=O)c1[nH]c(C[N@@H+](C)C[C@H](C)C#N)cc1C ZINC000602448979 349549707 /nfs/dbraw/zinc/54/97/07/349549707.db2.gz XIECCXSHWVDKJE-SECBINFHSA-N 1 2 249.314 1.701 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602462638 349556239 /nfs/dbraw/zinc/55/62/39/349556239.db2.gz NTDHOKDLWDVJQF-JTQLQIEISA-N 1 2 214.272 1.687 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602462638 349556242 /nfs/dbraw/zinc/55/62/42/349556242.db2.gz NTDHOKDLWDVJQF-JTQLQIEISA-N 1 2 214.272 1.687 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+](C)Cc1nnc[nH]1 ZINC000602471593 349542268 /nfs/dbraw/zinc/54/22/68/349542268.db2.gz FDYZXMNVZIZELT-VIFPVBQESA-N 1 2 207.281 1.176 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+](C)Cc1nnc[nH]1 ZINC000602471593 349542270 /nfs/dbraw/zinc/54/22/70/349542270.db2.gz FDYZXMNVZIZELT-VIFPVBQESA-N 1 2 207.281 1.176 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccon1 ZINC000576765145 365681280 /nfs/dbraw/zinc/68/12/80/365681280.db2.gz GKLRMLJRLAAKHJ-VIFPVBQESA-N 1 2 228.255 1.792 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000615651868 398271947 /nfs/dbraw/zinc/27/19/47/398271947.db2.gz NRDOPTOHOGUPIR-MNOVXSKESA-N 1 2 212.268 1.351 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000615651868 398271949 /nfs/dbraw/zinc/27/19/49/398271949.db2.gz NRDOPTOHOGUPIR-MNOVXSKESA-N 1 2 212.268 1.351 20 30 BDEDLO CC[C@@H](CC#N)NCc1[nH]c(C)c(C)[nH+]1 ZINC000600150611 342691257 /nfs/dbraw/zinc/69/12/57/342691257.db2.gz FINWTEVDSWQYFU-JTQLQIEISA-N 1 2 206.293 1.808 20 30 BDEDLO C=CCN(CCC#N)Cc1[nH]cc(C)[nH+]1 ZINC000600161584 342693612 /nfs/dbraw/zinc/69/36/12/342693612.db2.gz JTZIOPOZFXUYAM-UHFFFAOYSA-N 1 2 204.277 1.620 20 30 BDEDLO Cc1ncc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000600172174 342695202 /nfs/dbraw/zinc/69/52/02/342695202.db2.gz ZWEIMYXJSRTERV-UHFFFAOYSA-N 1 2 207.277 1.965 20 30 BDEDLO Cc1ncc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000600172174 342695203 /nfs/dbraw/zinc/69/52/03/342695203.db2.gz ZWEIMYXJSRTERV-UHFFFAOYSA-N 1 2 207.277 1.965 20 30 BDEDLO N#CC1(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000309603075 342745196 /nfs/dbraw/zinc/74/51/96/342745196.db2.gz XDWDXLJTSCDPNJ-UHFFFAOYSA-N 1 2 213.244 1.674 20 30 BDEDLO N#CC1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000083795468 398286028 /nfs/dbraw/zinc/28/60/28/398286028.db2.gz VYGUQXWUXYLHRH-UHFFFAOYSA-N 1 2 232.287 1.083 20 30 BDEDLO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000186718347 538974477 /nfs/dbraw/zinc/97/44/77/538974477.db2.gz QAVCAXAIMKOWBD-WPRPVWTQSA-N 1 2 209.293 1.306 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccc(F)c1N ZINC000602608248 349631795 /nfs/dbraw/zinc/63/17/95/349631795.db2.gz SBYMYUSFSFTQLH-MRVPVSSYSA-N 1 2 207.252 1.657 20 30 BDEDLO COC(=O)CC[N@H+](CCC#N)Cc1ccccc1 ZINC000608779811 342901453 /nfs/dbraw/zinc/90/14/53/342901453.db2.gz GJMHDSMWPNUQNS-UHFFFAOYSA-N 1 2 246.310 1.965 20 30 BDEDLO COC(=O)CC[N@@H+](CCC#N)Cc1ccccc1 ZINC000608779811 342901454 /nfs/dbraw/zinc/90/14/54/342901454.db2.gz GJMHDSMWPNUQNS-UHFFFAOYSA-N 1 2 246.310 1.965 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000602631648 349649103 /nfs/dbraw/zinc/64/91/03/349649103.db2.gz ROCYUFOIUOQAHG-ZJUUUORDSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000602631648 349649105 /nfs/dbraw/zinc/64/91/05/349649105.db2.gz ROCYUFOIUOQAHG-ZJUUUORDSA-N 1 2 232.274 1.628 20 30 BDEDLO Cc1cc(C[NH2+]CC2(C#N)CC2)sn1 ZINC000602644659 349656971 /nfs/dbraw/zinc/65/69/71/349656971.db2.gz ZZUXMIWTNZNMPA-UHFFFAOYSA-N 1 2 207.302 1.845 20 30 BDEDLO C[N@H+](CCCSCC#N)CC(F)F ZINC000074990299 398334953 /nfs/dbraw/zinc/33/49/53/398334953.db2.gz JXUVYFLHRIRRGV-UHFFFAOYSA-N 1 2 208.277 1.830 20 30 BDEDLO C[N@@H+](CCCSCC#N)CC(F)F ZINC000074990299 398334954 /nfs/dbraw/zinc/33/49/54/398334954.db2.gz JXUVYFLHRIRRGV-UHFFFAOYSA-N 1 2 208.277 1.830 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1oncc1C(=O)OC ZINC000351751872 136251448 /nfs/dbraw/zinc/25/14/48/136251448.db2.gz DNFBCLHJBFXNJA-UHFFFAOYSA-N 1 2 224.260 1.469 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1oncc1C(=O)OC ZINC000351751872 136251449 /nfs/dbraw/zinc/25/14/49/136251449.db2.gz DNFBCLHJBFXNJA-UHFFFAOYSA-N 1 2 224.260 1.469 20 30 BDEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCC#N ZINC000162380563 349680221 /nfs/dbraw/zinc/68/02/21/349680221.db2.gz UXCKYVZXCFXLPN-CYBMUJFWSA-N 1 2 233.315 1.702 20 30 BDEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCCC#N ZINC000162380563 349680225 /nfs/dbraw/zinc/68/02/25/349680225.db2.gz UXCKYVZXCFXLPN-CYBMUJFWSA-N 1 2 233.315 1.702 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493303994 529492101 /nfs/dbraw/zinc/49/21/01/529492101.db2.gz PXFTXJLTQKLXDN-ZWNMCFTASA-N 1 2 218.260 1.231 20 30 BDEDLO N#CCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000336682017 346906716 /nfs/dbraw/zinc/90/67/16/346906716.db2.gz YKMMLFHCPZZXAH-UHFFFAOYSA-N 1 2 232.209 1.449 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000602712031 349704268 /nfs/dbraw/zinc/70/42/68/349704268.db2.gz WXWRAOGZYLHSHO-NXEZZACHSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000602712031 349704269 /nfs/dbraw/zinc/70/42/69/349704269.db2.gz WXWRAOGZYLHSHO-NXEZZACHSA-N 1 2 232.274 1.628 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602769404 349724374 /nfs/dbraw/zinc/72/43/74/349724374.db2.gz DLDUEIOWIWZESZ-AAEUAGOBSA-N 1 2 249.358 1.621 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(C2CCC2)C1=O ZINC000602769404 349724377 /nfs/dbraw/zinc/72/43/77/349724377.db2.gz DLDUEIOWIWZESZ-AAEUAGOBSA-N 1 2 249.358 1.621 20 30 BDEDLO Cc1ncc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000351857816 136258541 /nfs/dbraw/zinc/25/85/41/136258541.db2.gz UWTLDYQGORRTHC-UHFFFAOYSA-N 1 2 216.288 1.521 20 30 BDEDLO Cn1ncc(Cl)c1C[NH2+]CC1(C#N)CC1 ZINC000308911924 259340680 /nfs/dbraw/zinc/34/06/80/259340680.db2.gz XVKPEPOLISMLPM-UHFFFAOYSA-N 1 2 224.695 1.467 20 30 BDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CC1(CC#N)CC1 ZINC000602810447 349754972 /nfs/dbraw/zinc/75/49/72/349754972.db2.gz FUUQHDWRHYZGMI-LBPRGKRZSA-N 1 2 249.358 1.623 20 30 BDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602810447 349754976 /nfs/dbraw/zinc/75/49/76/349754976.db2.gz FUUQHDWRHYZGMI-LBPRGKRZSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000602861019 349772617 /nfs/dbraw/zinc/77/26/17/349772617.db2.gz FDFZDFUNJBIKFD-NEPJUHHUSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC1CCCCC1 ZINC000602863141 349774255 /nfs/dbraw/zinc/77/42/55/349774255.db2.gz LSDXHUBLDHTSHA-WDEREUQCSA-N 1 2 237.347 1.716 20 30 BDEDLO CC(C)(C)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464830 136263860 /nfs/dbraw/zinc/26/38/60/136263860.db2.gz XVPHCWREARYOIC-UHFFFAOYSA-N 1 2 241.310 1.229 20 30 BDEDLO N#CC1(F)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352463989 136263881 /nfs/dbraw/zinc/26/38/81/136263881.db2.gz NGGSKQGUFVRRJR-UHFFFAOYSA-N 1 2 208.240 1.237 20 30 BDEDLO Cc1nc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)co1 ZINC000602850604 349785782 /nfs/dbraw/zinc/78/57/82/349785782.db2.gz RCFFDAYHLRBZLM-QWRGUYRKSA-N 1 2 248.330 1.401 20 30 BDEDLO C=CCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000628058308 343064554 /nfs/dbraw/zinc/06/45/54/343064554.db2.gz FVWXMFTVXDROHT-NSHDSACASA-N 1 2 233.315 1.446 20 30 BDEDLO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602864345 349796244 /nfs/dbraw/zinc/79/62/44/349796244.db2.gz RECDWGSJEYXBFJ-UWVGGRQHSA-N 1 2 211.309 1.039 20 30 BDEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1F ZINC000602865829 349797898 /nfs/dbraw/zinc/79/78/98/349797898.db2.gz ZNGJMHOSVPLCLQ-JTQLQIEISA-N 1 2 249.289 1.964 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000602865697 349797652 /nfs/dbraw/zinc/79/76/52/349797652.db2.gz XNDKJRWKNINTNF-TUAOUCFPSA-N 1 2 237.347 1.383 20 30 BDEDLO Cc1cccc2[nH+]c(CNC(=O)CC#N)cn21 ZINC000274235850 136284741 /nfs/dbraw/zinc/28/47/41/136284741.db2.gz SVWZTDGXRGJMGN-UHFFFAOYSA-N 1 2 228.255 1.173 20 30 BDEDLO N#CCCCC(=O)NCCCn1cc[nH+]c1 ZINC000290992967 136288176 /nfs/dbraw/zinc/28/81/76/136288176.db2.gz RYUCUTDNHVRGFE-UHFFFAOYSA-N 1 2 220.276 1.083 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCCCCF)nn1 ZINC000641048629 362158902 /nfs/dbraw/zinc/15/89/02/362158902.db2.gz VONZXJUNPALUQJ-UHFFFAOYSA-N 1 2 238.310 1.531 20 30 BDEDLO CCn1cnnc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000048520234 343318891 /nfs/dbraw/zinc/31/88/91/343318891.db2.gz ACNKKNYZSDXJTK-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO Cc1cc(C#N)ccc1C[NH+]1CCOCC1 ZINC000165428326 343314459 /nfs/dbraw/zinc/31/44/59/343314459.db2.gz WOOFZVXRNBWIDN-UHFFFAOYSA-N 1 2 216.284 1.699 20 30 BDEDLO N#CCCCCCC(=O)Nc1cc[nH+]cc1O ZINC000588351845 343357559 /nfs/dbraw/zinc/35/75/59/343357559.db2.gz AMCKSOLQMVNMLJ-UHFFFAOYSA-N 1 2 233.271 1.622 20 30 BDEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(C#N)cs1 ZINC000335675415 136318256 /nfs/dbraw/zinc/31/82/56/136318256.db2.gz MNKCHRTTYLABQS-OCAPTIKFSA-N 1 2 207.302 1.997 20 30 BDEDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(C#N)cs1 ZINC000335675415 136318257 /nfs/dbraw/zinc/31/82/57/136318257.db2.gz MNKCHRTTYLABQS-OCAPTIKFSA-N 1 2 207.302 1.997 20 30 BDEDLO Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc[nH+]1 ZINC000335652481 136305732 /nfs/dbraw/zinc/30/57/32/136305732.db2.gz GJGJXLAUARLRHJ-UFBFGSQYSA-N 1 2 215.256 1.300 20 30 BDEDLO C=C(C)CCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000641069619 362181373 /nfs/dbraw/zinc/18/13/73/362181373.db2.gz LMMHJNACLQFBJY-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C=C(C)CCn1cc(C[N@H+](C)CCOC)nn1 ZINC000641069619 362181376 /nfs/dbraw/zinc/18/13/76/362181376.db2.gz LMMHJNACLQFBJY-UHFFFAOYSA-N 1 2 238.335 1.323 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000192234514 259358928 /nfs/dbraw/zinc/35/89/28/259358928.db2.gz RUDFKFWFBBHOKB-UHFFFAOYSA-N 1 2 244.298 1.487 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000192234514 259358931 /nfs/dbraw/zinc/35/89/31/259358931.db2.gz RUDFKFWFBBHOKB-UHFFFAOYSA-N 1 2 244.298 1.487 20 30 BDEDLO CN(CC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000335682370 136329065 /nfs/dbraw/zinc/32/90/65/136329065.db2.gz AFKSWDLLVOBTBR-UHFFFAOYSA-N 1 2 240.266 1.468 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H](C)CC(C)C)nn1 ZINC000641094331 362222479 /nfs/dbraw/zinc/22/24/79/362222479.db2.gz RTINIEFKRQZRNF-GFCCVEGCSA-N 1 2 234.347 1.998 20 30 BDEDLO C#CC[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797058 136363805 /nfs/dbraw/zinc/36/38/05/136363805.db2.gz VRGDRIOGBVLQBQ-UHFFFAOYSA-N 1 2 233.315 1.042 20 30 BDEDLO C[C@](O)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000329344681 136365074 /nfs/dbraw/zinc/36/50/74/136365074.db2.gz BQLDVENCHBBWMD-ZWNOBZJWSA-N 1 2 249.314 1.315 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cnns1 ZINC000329340101 136365294 /nfs/dbraw/zinc/36/52/94/136365294.db2.gz RIGCUEJABGVZKE-SSDOTTSWSA-N 1 2 249.299 1.054 20 30 BDEDLO O=C(CN1CCn2cc[nH+]c2C1)NCC1CC1 ZINC000329358249 136365323 /nfs/dbraw/zinc/36/53/23/136365323.db2.gz WZALETRRNJCXQL-UHFFFAOYSA-N 1 2 234.303 1.065 20 30 BDEDLO C[C@@]1(NC(=O)CCc2[nH]cc[nH+]2)CCOC1 ZINC000329563879 136366217 /nfs/dbraw/zinc/36/62/17/136366217.db2.gz SCJBSMDUKRIRNY-LLVKDONJSA-N 1 2 223.276 1.478 20 30 BDEDLO COC(=O)[C@@](C)(CCF)[NH2+]CC1(CC#N)CC1 ZINC000602893997 349811677 /nfs/dbraw/zinc/81/16/77/349811677.db2.gz FQZOLSPWQJAYFM-LLVKDONJSA-N 1 2 242.294 1.561 20 30 BDEDLO COc1ncc(C[NH2+]C[C@H](C)C#N)s1 ZINC000379506496 343569200 /nfs/dbraw/zinc/56/92/00/343569200.db2.gz QPSWHGFIJNIEGU-SSDOTTSWSA-N 1 2 211.290 1.401 20 30 BDEDLO CC[N@H+](Cc1cc[nH]c(=O)c1)[C@@H](C)C#N ZINC000602904365 349817793 /nfs/dbraw/zinc/81/77/93/349817793.db2.gz WWDJKYGIAGPWHK-VIFPVBQESA-N 1 2 205.261 1.521 20 30 BDEDLO CC[N@@H+](Cc1cc[nH]c(=O)c1)[C@@H](C)C#N ZINC000602904365 349817795 /nfs/dbraw/zinc/81/77/95/349817795.db2.gz WWDJKYGIAGPWHK-VIFPVBQESA-N 1 2 205.261 1.521 20 30 BDEDLO COCC[N@H+](CCC#N)CCc1cccnc1 ZINC000071230926 343636733 /nfs/dbraw/zinc/63/67/33/343636733.db2.gz SUDDKUHIVAGWNA-UHFFFAOYSA-N 1 2 233.315 1.486 20 30 BDEDLO COCC[N@@H+](CCC#N)CCc1cccnc1 ZINC000071230926 343636735 /nfs/dbraw/zinc/63/67/35/343636735.db2.gz SUDDKUHIVAGWNA-UHFFFAOYSA-N 1 2 233.315 1.486 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000602942205 349825583 /nfs/dbraw/zinc/82/55/83/349825583.db2.gz LNNJHHTYOPJIPN-CMPLNLGQSA-N 1 2 218.304 1.842 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000602942205 349825585 /nfs/dbraw/zinc/82/55/85/349825585.db2.gz LNNJHHTYOPJIPN-CMPLNLGQSA-N 1 2 218.304 1.842 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)C(C)C ZINC000083853768 343679177 /nfs/dbraw/zinc/67/91/77/343679177.db2.gz BYCXOYDZWYVOPO-JTQLQIEISA-N 1 2 224.304 1.467 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978411 349843034 /nfs/dbraw/zinc/84/30/34/349843034.db2.gz QFVJOHGTYXANSO-QWHCGFSZSA-N 1 2 249.358 1.479 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978411 349843037 /nfs/dbraw/zinc/84/30/37/349843037.db2.gz QFVJOHGTYXANSO-QWHCGFSZSA-N 1 2 249.358 1.479 20 30 BDEDLO CN(Cc1c[nH+]cn1C)[C@H]1CCC[C@@H]1C#N ZINC000602978500 349843506 /nfs/dbraw/zinc/84/35/06/349843506.db2.gz RVPKQOLMWMDYSZ-PWSUYJOCSA-N 1 2 218.304 1.544 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCc2nc[nH]c2C1 ZINC000625436918 343734391 /nfs/dbraw/zinc/73/43/91/343734391.db2.gz NIHRDSOQMJSAGL-SNVBAGLBSA-N 1 2 203.289 1.570 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCc2nc[nH]c2C1 ZINC000625436918 343734393 /nfs/dbraw/zinc/73/43/93/343734393.db2.gz NIHRDSOQMJSAGL-SNVBAGLBSA-N 1 2 203.289 1.570 20 30 BDEDLO C=CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000154177621 343711167 /nfs/dbraw/zinc/71/11/67/343711167.db2.gz FKZVJAKBTHPWOW-JTQLQIEISA-N 1 2 219.288 1.090 20 30 BDEDLO C[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602980286 349844705 /nfs/dbraw/zinc/84/47/05/349844705.db2.gz OEQOWFJOESOPFR-GHMZBOCLSA-N 1 2 203.289 1.914 20 30 BDEDLO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602980286 349844711 /nfs/dbraw/zinc/84/47/11/349844711.db2.gz OEQOWFJOESOPFR-GHMZBOCLSA-N 1 2 203.289 1.914 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)c1cc(C#N)cs1 ZINC000334606409 343894286 /nfs/dbraw/zinc/89/42/86/343894286.db2.gz CMZNTUBJORUMNL-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(C)C)nn1 ZINC000641188156 362265203 /nfs/dbraw/zinc/26/52/03/362265203.db2.gz GVLLAVKWQFIBOR-NSHDSACASA-N 1 2 220.320 1.608 20 30 BDEDLO CC[C@]1(C)C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602628859 343937092 /nfs/dbraw/zinc/93/70/92/343937092.db2.gz XNUCLMDHKLOHJY-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@]1(C)C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602628859 343937094 /nfs/dbraw/zinc/93/70/94/343937094.db2.gz XNUCLMDHKLOHJY-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(OC)c1 ZINC000306057338 343966389 /nfs/dbraw/zinc/96/63/89/343966389.db2.gz VVHVVHDAECFGJP-ZDUSSCGKSA-N 1 2 249.310 1.855 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(OC)c1 ZINC000306057338 343966391 /nfs/dbraw/zinc/96/63/91/343966391.db2.gz VVHVVHDAECFGJP-ZDUSSCGKSA-N 1 2 249.310 1.855 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]cn1 ZINC000425282065 192368733 /nfs/dbraw/zinc/36/87/33/192368733.db2.gz MWMZKELVCMYVEA-QWRGUYRKSA-N 1 2 219.288 1.210 20 30 BDEDLO C[C@H](CC(=O)NCCCC#N)n1cc[nH+]c1 ZINC000570688085 323067152 /nfs/dbraw/zinc/06/71/52/323067152.db2.gz VMNMMTGTXWHDHY-SNVBAGLBSA-N 1 2 220.276 1.254 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000363472802 344134183 /nfs/dbraw/zinc/13/41/83/344134183.db2.gz USJOOSRWMPQPLF-CYBMUJFWSA-N 1 2 219.284 1.985 20 30 BDEDLO C#CCC[N@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000363472802 344134185 /nfs/dbraw/zinc/13/41/85/344134185.db2.gz USJOOSRWMPQPLF-CYBMUJFWSA-N 1 2 219.284 1.985 20 30 BDEDLO C=CCSCCNc1cc(CO)cc[nH+]1 ZINC000603281075 349906488 /nfs/dbraw/zinc/90/64/88/349906488.db2.gz QVNFCWWXNIOMEJ-UHFFFAOYSA-N 1 2 224.329 1.905 20 30 BDEDLO N#CC1(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000590374877 347046256 /nfs/dbraw/zinc/04/62/56/347046256.db2.gz OXBKXSILXIMXLJ-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO COc1cncc(C[NH+]2CC(CC#N)C2)c1C ZINC000600859261 344383372 /nfs/dbraw/zinc/38/33/72/344383372.db2.gz DJASYCZLBLUEDZ-UHFFFAOYSA-N 1 2 231.299 1.744 20 30 BDEDLO N#CC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000258736353 344495449 /nfs/dbraw/zinc/49/54/49/344495449.db2.gz NLROATRWDFCKFL-UHFFFAOYSA-N 1 2 243.314 1.791 20 30 BDEDLO N#CC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000258736353 344495451 /nfs/dbraw/zinc/49/54/51/344495451.db2.gz NLROATRWDFCKFL-UHFFFAOYSA-N 1 2 243.314 1.791 20 30 BDEDLO CCOc1ccc(C[NH2+][C@H](C)CC#N)nc1 ZINC000381700099 344537966 /nfs/dbraw/zinc/53/79/66/344537966.db2.gz IDSOZMMPTVMECD-SNVBAGLBSA-N 1 2 219.288 1.872 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641548801 362490949 /nfs/dbraw/zinc/49/09/49/362490949.db2.gz OKLNJLANJGSMKY-GXTWGEPZSA-N 1 2 248.326 1.967 20 30 BDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccccc1 ZINC000112335541 344642604 /nfs/dbraw/zinc/64/26/04/344642604.db2.gz GITIBXQRLSUOBG-UHFFFAOYSA-N 1 2 249.314 1.390 20 30 BDEDLO CC(C)N(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000362174430 534964927 /nfs/dbraw/zinc/96/49/27/534964927.db2.gz YFGXHUBMZFPGQL-UHFFFAOYSA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)N(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000362174430 534964931 /nfs/dbraw/zinc/96/49/31/534964931.db2.gz YFGXHUBMZFPGQL-UHFFFAOYSA-N 1 2 237.347 1.479 20 30 BDEDLO Cc1ccc(C[N@H+](CC(=O)NCC#N)C2CC2)o1 ZINC000609417437 344718617 /nfs/dbraw/zinc/71/86/17/344718617.db2.gz PLORHMXSXLSQKR-UHFFFAOYSA-N 1 2 247.298 1.192 20 30 BDEDLO Cc1ccc(C[N@@H+](CC(=O)NCC#N)C2CC2)o1 ZINC000609417437 344718620 /nfs/dbraw/zinc/71/86/20/344718620.db2.gz PLORHMXSXLSQKR-UHFFFAOYSA-N 1 2 247.298 1.192 20 30 BDEDLO C[C@@H](Nc1ncccc1C#N)c1[nH]cc[nH+]1 ZINC000135602605 344781808 /nfs/dbraw/zinc/78/18/08/344781808.db2.gz RSAGAVKSNWRFKL-MRVPVSSYSA-N 1 2 213.244 1.849 20 30 BDEDLO NC(CCO)=[NH+]OCc1csc(C2CC2)n1 ZINC000121350839 344921771 /nfs/dbraw/zinc/92/17/71/344921771.db2.gz FSDOQRQEHLTRFP-UHFFFAOYSA-N 1 2 241.316 1.192 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)CCN1CCC#N ZINC000408280016 345026643 /nfs/dbraw/zinc/02/66/43/345026643.db2.gz FBTFIRFFVKFRTF-UHFFFAOYSA-N 1 2 220.320 1.210 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)CCN1CCC#N ZINC000408280016 345026646 /nfs/dbraw/zinc/02/66/46/345026646.db2.gz FBTFIRFFVKFRTF-UHFFFAOYSA-N 1 2 220.320 1.210 20 30 BDEDLO CC1(C)CN(CCC#N)CC[N@@H+]1CCC#N ZINC000408280016 345026649 /nfs/dbraw/zinc/02/66/49/345026649.db2.gz FBTFIRFFVKFRTF-UHFFFAOYSA-N 1 2 220.320 1.210 20 30 BDEDLO CC1(C)CN(CCC#N)CC[N@H+]1CCC#N ZINC000408280016 345026651 /nfs/dbraw/zinc/02/66/51/345026651.db2.gz FBTFIRFFVKFRTF-UHFFFAOYSA-N 1 2 220.320 1.210 20 30 BDEDLO Cc1cc(NC[C@@H]2CCOC[C@@H]2C)c(C#N)c[nH+]1 ZINC000425252802 192085157 /nfs/dbraw/zinc/08/51/57/192085157.db2.gz JJPUBTGMYSCWBN-JQWIXIFHSA-N 1 2 245.326 1.768 20 30 BDEDLO Cc1cc(N2CC[C@@H](CCCO)C2)c(C#N)c[nH+]1 ZINC000425270738 192087194 /nfs/dbraw/zinc/08/71/94/192087194.db2.gz UEECNXOKUGZWMH-GFCCVEGCSA-N 1 2 245.326 1.861 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000425271015 192087014 /nfs/dbraw/zinc/08/70/14/192087014.db2.gz UGFPRAPOPQDVRQ-PWSUYJOCSA-N 1 2 231.299 1.257 20 30 BDEDLO Cc1csc(=O)n1CC[N@H+](C)CCC#N ZINC000133279729 345368027 /nfs/dbraw/zinc/36/80/27/345368027.db2.gz FEYMKCCODUZRIT-UHFFFAOYSA-N 1 2 225.317 1.064 20 30 BDEDLO Cc1csc(=O)n1CC[N@@H+](C)CCC#N ZINC000133279729 345368029 /nfs/dbraw/zinc/36/80/29/345368029.db2.gz FEYMKCCODUZRIT-UHFFFAOYSA-N 1 2 225.317 1.064 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080921207 345451054 /nfs/dbraw/zinc/45/10/54/345451054.db2.gz VQLCLNZHYXQTBC-UHFFFAOYSA-N 1 2 234.299 1.126 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080921207 345451057 /nfs/dbraw/zinc/45/10/57/345451057.db2.gz VQLCLNZHYXQTBC-UHFFFAOYSA-N 1 2 234.299 1.126 20 30 BDEDLO N#CCn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000600973204 345546690 /nfs/dbraw/zinc/54/66/90/345546690.db2.gz ROWVXVBOUPULRY-UHFFFAOYSA-N 1 2 245.261 1.231 20 30 BDEDLO C#CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000089591920 345561253 /nfs/dbraw/zinc/56/12/53/345561253.db2.gz KOOITLFFRXJAJX-UHFFFAOYSA-N 1 2 243.285 1.453 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000378787161 345568718 /nfs/dbraw/zinc/56/87/18/345568718.db2.gz KNUMYESTRCLRSZ-NEPJUHHUSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000378787161 345568723 /nfs/dbraw/zinc/56/87/23/345568723.db2.gz KNUMYESTRCLRSZ-NEPJUHHUSA-N 1 2 241.331 1.461 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091580901 345598623 /nfs/dbraw/zinc/59/86/23/345598623.db2.gz RRYYRMWMKPSMRN-UHFFFAOYSA-N 1 2 224.308 1.276 20 30 BDEDLO C=CCCCCC[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091580901 345598626 /nfs/dbraw/zinc/59/86/26/345598626.db2.gz RRYYRMWMKPSMRN-UHFFFAOYSA-N 1 2 224.308 1.276 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000144044828 345915681 /nfs/dbraw/zinc/91/56/81/345915681.db2.gz ACOXNCXFBLFELT-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000144044828 345915683 /nfs/dbraw/zinc/91/56/83/345915683.db2.gz ACOXNCXFBLFELT-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635818396 346078887 /nfs/dbraw/zinc/07/88/87/346078887.db2.gz FYBJNPVLBGTWFP-RKDXNWHRSA-N 1 2 205.261 1.158 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635818396 346078889 /nfs/dbraw/zinc/07/88/89/346078889.db2.gz FYBJNPVLBGTWFP-RKDXNWHRSA-N 1 2 205.261 1.158 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635892230 346103294 /nfs/dbraw/zinc/10/32/94/346103294.db2.gz VHXMIALFFVYGOK-HBNTYKKESA-N 1 2 233.315 1.984 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635892230 346103295 /nfs/dbraw/zinc/10/32/95/346103295.db2.gz VHXMIALFFVYGOK-HBNTYKKESA-N 1 2 233.315 1.984 20 30 BDEDLO N#CC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000587061842 346183201 /nfs/dbraw/zinc/18/32/01/346183201.db2.gz JLMGTYIZYHDZCH-SNVBAGLBSA-N 1 2 244.298 1.008 20 30 BDEDLO N#CC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000587061841 346183390 /nfs/dbraw/zinc/18/33/90/346183390.db2.gz JLMGTYIZYHDZCH-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC000279660757 346251967 /nfs/dbraw/zinc/25/19/67/346251967.db2.gz COOYKTFBMQYGGR-ZDUSSCGKSA-N 1 2 248.301 1.900 20 30 BDEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC000279660757 346251971 /nfs/dbraw/zinc/25/19/71/346251971.db2.gz COOYKTFBMQYGGR-ZDUSSCGKSA-N 1 2 248.301 1.900 20 30 BDEDLO C#C[C@H](CC)[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000390431627 259388783 /nfs/dbraw/zinc/38/87/83/259388783.db2.gz AHQWPJVCOJOYSM-VXGBXAGGSA-N 1 2 225.332 1.966 20 30 BDEDLO C=CCOCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636199280 346352082 /nfs/dbraw/zinc/35/20/82/346352082.db2.gz DDBZJHIPQMKYHR-GHMZBOCLSA-N 1 2 249.314 1.222 20 30 BDEDLO C=CCOCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636199280 346352085 /nfs/dbraw/zinc/35/20/85/346352085.db2.gz DDBZJHIPQMKYHR-GHMZBOCLSA-N 1 2 249.314 1.222 20 30 BDEDLO C=CCOCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000580206049 346665447 /nfs/dbraw/zinc/66/54/47/346665447.db2.gz MQABIEZMIQDNIW-UHFFFAOYSA-N 1 2 237.303 1.272 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1cccc(C#N)n1 ZINC000589400015 346697360 /nfs/dbraw/zinc/69/73/60/346697360.db2.gz LKCPAPIFHBHMPZ-UHFFFAOYSA-N 1 2 238.250 1.331 20 30 BDEDLO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ncn1 ZINC000589991032 346760522 /nfs/dbraw/zinc/76/05/22/346760522.db2.gz ZNMOJAJLFWORMS-CYBMUJFWSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ncn1 ZINC000589991032 346760524 /nfs/dbraw/zinc/76/05/24/346760524.db2.gz ZNMOJAJLFWORMS-CYBMUJFWSA-N 1 2 230.315 1.911 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCn1ccccc1=O ZINC000167794899 347167294 /nfs/dbraw/zinc/16/72/94/347167294.db2.gz PURIEDSKGBFLIG-NSHDSACASA-N 1 2 219.288 1.082 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCn1ccccc1=O ZINC000167794899 347167298 /nfs/dbraw/zinc/16/72/98/347167298.db2.gz PURIEDSKGBFLIG-NSHDSACASA-N 1 2 219.288 1.082 20 30 BDEDLO CC[C@@](C)([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000309684206 347133591 /nfs/dbraw/zinc/13/35/91/347133591.db2.gz ADOXDOJMURQPEE-GFCCVEGCSA-N 1 2 226.320 1.858 20 30 BDEDLO C=CCCOCC[NH2+]Cc1cn[nH]c1C ZINC000120799931 347408899 /nfs/dbraw/zinc/40/88/99/347408899.db2.gz SNICXMFMVDBUOC-UHFFFAOYSA-N 1 2 209.293 1.400 20 30 BDEDLO N#CC1(CC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000590993564 347603306 /nfs/dbraw/zinc/60/33/06/347603306.db2.gz FQFCTKMKYYJYTP-UHFFFAOYSA-N 1 2 240.266 1.967 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OC ZINC000591377387 347651139 /nfs/dbraw/zinc/65/11/39/347651139.db2.gz LEXDBBXHOZKDIO-VLEAKVRGSA-N 1 2 227.304 1.117 20 30 BDEDLO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)[nH]n1 ZINC000591740951 347694821 /nfs/dbraw/zinc/69/48/21/347694821.db2.gz NLDVMMVQYDLVQQ-SNVBAGLBSA-N 1 2 217.276 1.251 20 30 BDEDLO N#Cc1cnccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000592098446 347733039 /nfs/dbraw/zinc/73/30/39/347733039.db2.gz AJYYQLKSUFCILL-UHFFFAOYSA-N 1 2 243.310 1.566 20 30 BDEDLO N#Cc1cnccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000592098446 347733040 /nfs/dbraw/zinc/73/30/40/347733040.db2.gz AJYYQLKSUFCILL-UHFFFAOYSA-N 1 2 243.310 1.566 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H](C)CC(F)F)C(=O)OC ZINC000592446025 347780417 /nfs/dbraw/zinc/78/04/17/347780417.db2.gz TYLDJXCJZAMFQM-HTQZYQBOSA-N 1 2 221.247 1.595 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cncnc1OC ZINC000592506200 347797872 /nfs/dbraw/zinc/79/78/72/347797872.db2.gz ISGWWGSPMSUDQD-JTQLQIEISA-N 1 2 220.276 1.267 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OCC ZINC000592514835 347793684 /nfs/dbraw/zinc/79/36/84/347793684.db2.gz CSOXSNATXPGUMH-TUAOUCFPSA-N 1 2 241.331 1.651 20 30 BDEDLO CSC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127421 347864909 /nfs/dbraw/zinc/86/49/09/347864909.db2.gz PNFUJWLLYJICEQ-LBPRGKRZSA-N 1 2 248.351 1.598 20 30 BDEDLO CSC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127421 347864910 /nfs/dbraw/zinc/86/49/10/347864910.db2.gz PNFUJWLLYJICEQ-LBPRGKRZSA-N 1 2 248.351 1.598 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000593405219 347884193 /nfs/dbraw/zinc/88/41/93/347884193.db2.gz JADSSOXPDNVJIX-JTQLQIEISA-N 1 2 246.314 1.314 20 30 BDEDLO C[C@H](CC#N)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593437704 347890427 /nfs/dbraw/zinc/89/04/27/347890427.db2.gz VHURQMDFLLEHPT-SNVBAGLBSA-N 1 2 246.314 1.180 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000593448304 347892514 /nfs/dbraw/zinc/89/25/14/347892514.db2.gz PQMUTLZCFIIZNN-GHMZBOCLSA-N 1 2 246.314 1.665 20 30 BDEDLO CC[C@H](C#N)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000593482378 347896768 /nfs/dbraw/zinc/89/67/68/347896768.db2.gz XEVCIGSRAGTBFO-WDEREUQCSA-N 1 2 234.303 1.185 20 30 BDEDLO CC[C@@H](C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000593452578 347898641 /nfs/dbraw/zinc/89/86/41/347898641.db2.gz WMOLHDBZMRMGLV-NWDGAFQWSA-N 1 2 246.314 1.596 20 30 BDEDLO CC[C@H](C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000593461805 347899626 /nfs/dbraw/zinc/89/96/26/347899626.db2.gz ORWDDZZXVOJMGY-SECBINFHSA-N 1 2 228.255 1.823 20 30 BDEDLO COc1nccnc1C[NH2+]CC1(C#N)CCCC1 ZINC000593655035 347922732 /nfs/dbraw/zinc/92/27/32/347922732.db2.gz VZVOSILXLKSECS-UHFFFAOYSA-N 1 2 246.314 1.659 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000593747452 347941717 /nfs/dbraw/zinc/94/17/17/347941717.db2.gz NQOMKVIDMAKMPG-GFCCVEGCSA-N 1 2 231.299 1.864 20 30 BDEDLO CCCNC(=O)CCC[NH+]1CC(C)(C#N)C1 ZINC000593980425 347986221 /nfs/dbraw/zinc/98/62/21/347986221.db2.gz DGNBGKFXSPJXIS-UHFFFAOYSA-N 1 2 223.320 1.138 20 30 BDEDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000594510938 348061149 /nfs/dbraw/zinc/06/11/49/348061149.db2.gz PUVFWTXJXHSFRK-VHSXEESVSA-N 1 2 248.334 1.210 20 30 BDEDLO C=C1CC[NH+](Cc2nc(CC)no2)CC1 ZINC000594738589 348110638 /nfs/dbraw/zinc/11/06/38/348110638.db2.gz OISWMYPXRZVEQK-UHFFFAOYSA-N 1 2 207.277 1.784 20 30 BDEDLO C=CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119055324 348200480 /nfs/dbraw/zinc/20/04/80/348200480.db2.gz WLBAMZJFCUZBRN-NEPJUHHUSA-N 1 2 248.330 1.662 20 30 BDEDLO C=CC[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595449620 348244378 /nfs/dbraw/zinc/24/43/78/348244378.db2.gz PBHNULZVERMVFM-UHFFFAOYSA-N 1 2 211.221 1.509 20 30 BDEDLO C=CC[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595449620 348244381 /nfs/dbraw/zinc/24/43/81/348244381.db2.gz PBHNULZVERMVFM-UHFFFAOYSA-N 1 2 211.221 1.509 20 30 BDEDLO C[C@@H](NC(=O)NCCCCC#N)c1[nH+]ccn1C ZINC000595489456 348261534 /nfs/dbraw/zinc/26/15/34/348261534.db2.gz SMUXKXOZPXRMKB-SNVBAGLBSA-N 1 2 249.318 1.474 20 30 BDEDLO N#CCN1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595366626 348231197 /nfs/dbraw/zinc/23/11/97/348231197.db2.gz CIARAEXEAOVQMX-UHFFFAOYSA-N 1 2 246.314 1.193 20 30 BDEDLO C[N@H+](CCC#N)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595344108 348234217 /nfs/dbraw/zinc/23/42/17/348234217.db2.gz LQQRQCQFWYOTPJ-SDDRHHMPSA-N 1 2 235.331 1.279 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595344108 348234219 /nfs/dbraw/zinc/23/42/19/348234219.db2.gz LQQRQCQFWYOTPJ-SDDRHHMPSA-N 1 2 235.331 1.279 20 30 BDEDLO C[N@H+](CCCC(C)(C)C#N)Cc1n[nH]c(=O)o1 ZINC000595547479 348267646 /nfs/dbraw/zinc/26/76/46/348267646.db2.gz PLDBSXCMRIISNT-UHFFFAOYSA-N 1 2 238.291 1.537 20 30 BDEDLO C[N@@H+](CCCC(C)(C)C#N)Cc1n[nH]c(=O)o1 ZINC000595547479 348267648 /nfs/dbraw/zinc/26/76/48/348267648.db2.gz PLDBSXCMRIISNT-UHFFFAOYSA-N 1 2 238.291 1.537 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(N(C)C)s1 ZINC000308979390 323183032 /nfs/dbraw/zinc/18/30/32/323183032.db2.gz HQCFWJJRUFUUGI-QMMMGPOBSA-N 1 2 224.333 1.458 20 30 BDEDLO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC#N)cn1 ZINC000595771953 348336635 /nfs/dbraw/zinc/33/66/35/348336635.db2.gz QZUQBTNWEXWEPY-RYUDHWBXSA-N 1 2 218.304 1.244 20 30 BDEDLO C=C(C)CC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595772909 348337270 /nfs/dbraw/zinc/33/72/70/348337270.db2.gz BEKRRJOHGUHNNX-LLVKDONJSA-N 1 2 217.284 1.834 20 30 BDEDLO CC[N@H+](C[C@H](OC)[C@H]1CCOC1)[C@H](C)C#N ZINC000595817179 348344251 /nfs/dbraw/zinc/34/42/51/348344251.db2.gz HOICVGQYADHOFK-WOPDTQHZSA-N 1 2 226.320 1.272 20 30 BDEDLO CC[N@@H+](C[C@H](OC)[C@H]1CCOC1)[C@H](C)C#N ZINC000595817179 348344253 /nfs/dbraw/zinc/34/42/53/348344253.db2.gz HOICVGQYADHOFK-WOPDTQHZSA-N 1 2 226.320 1.272 20 30 BDEDLO N#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595787726 348346028 /nfs/dbraw/zinc/34/60/28/348346028.db2.gz HHVCZDPACBUMPC-NEPJUHHUSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595787726 348346031 /nfs/dbraw/zinc/34/60/31/348346031.db2.gz HHVCZDPACBUMPC-NEPJUHHUSA-N 1 2 208.305 1.791 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835008 348368095 /nfs/dbraw/zinc/36/80/95/348368095.db2.gz ODYMOFGSMGFIJH-ZYHUDNBSSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835008 348368097 /nfs/dbraw/zinc/36/80/97/348368097.db2.gz ODYMOFGSMGFIJH-ZYHUDNBSSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834999 348368363 /nfs/dbraw/zinc/36/83/63/348368363.db2.gz ODYMOFGSMGFIJH-CMPLNLGQSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834999 348368364 /nfs/dbraw/zinc/36/83/64/348368364.db2.gz ODYMOFGSMGFIJH-CMPLNLGQSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)N1CCC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595838497 348371674 /nfs/dbraw/zinc/37/16/74/348371674.db2.gz VMWWAQOKGNUOLP-JSGCOSHPSA-N 1 2 249.358 1.621 20 30 BDEDLO CC(C)N1CCC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595838497 348371676 /nfs/dbraw/zinc/37/16/76/348371676.db2.gz VMWWAQOKGNUOLP-JSGCOSHPSA-N 1 2 249.358 1.621 20 30 BDEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccn1 ZINC000595843645 348380963 /nfs/dbraw/zinc/38/09/63/348380963.db2.gz LSDWSJUFWGZECR-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccn1 ZINC000595843645 348380968 /nfs/dbraw/zinc/38/09/68/348380968.db2.gz 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JTMZDSOJUCRTIW-UHFFFAOYSA-N 1 2 227.271 1.621 20 30 BDEDLO CCc1nc(C#N)cc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000596313054 348504466 /nfs/dbraw/zinc/50/44/66/348504466.db2.gz NMXYDTZYROVUAI-UHFFFAOYSA-N 1 2 242.286 1.270 20 30 BDEDLO CCc1nc(C#N)cc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000596313054 348504468 /nfs/dbraw/zinc/50/44/68/348504468.db2.gz NMXYDTZYROVUAI-UHFFFAOYSA-N 1 2 242.286 1.270 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)C#N ZINC000596549805 348586491 /nfs/dbraw/zinc/58/64/91/348586491.db2.gz JQDSUMYAJHJNGZ-UHFFFAOYSA-N 1 2 235.291 1.101 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)C#N ZINC000596549805 348586496 /nfs/dbraw/zinc/58/64/96/348586496.db2.gz JQDSUMYAJHJNGZ-UHFFFAOYSA-N 1 2 235.291 1.101 20 30 BDEDLO Cc1ncc(C[NH2+]CC(C)(C)C#N)n1C ZINC000597084463 348656102 /nfs/dbraw/zinc/65/61/02/348656102.db2.gz ZSZCGUPBOASHKQ-UHFFFAOYSA-N 1 2 206.293 1.368 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C)n1C ZINC000597086319 348656220 /nfs/dbraw/zinc/65/62/20/348656220.db2.gz 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/nfs/dbraw/zinc/89/08/26/348890826.db2.gz ZRQGEGSRPNPZHI-JTQLQIEISA-N 1 2 234.299 1.953 20 30 BDEDLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)C#N ZINC000598350659 348937068 /nfs/dbraw/zinc/93/70/68/348937068.db2.gz RSQJWMIKDBMLFD-VHSXEESVSA-N 1 2 234.303 1.349 20 30 BDEDLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)C#N ZINC000598350659 348937072 /nfs/dbraw/zinc/93/70/72/348937072.db2.gz RSQJWMIKDBMLFD-VHSXEESVSA-N 1 2 234.303 1.349 20 30 BDEDLO COC(=O)c1cc(C[NH2+]C[C@H](C)C#N)oc1C ZINC000054181257 348896103 /nfs/dbraw/zinc/89/61/03/348896103.db2.gz QMHIMHLQDJAYBZ-MRVPVSSYSA-N 1 2 236.271 1.624 20 30 BDEDLO C[C@H](NC(=O)CCCC#N)c1[nH+]ccn1C ZINC000598465761 348977986 /nfs/dbraw/zinc/97/79/86/348977986.db2.gz UBZDFTBSABQMAS-VIFPVBQESA-N 1 2 220.276 1.291 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@H]1CC1(F)F)C(=O)OC ZINC000598730833 349032714 /nfs/dbraw/zinc/03/27/14/349032714.db2.gz CXHVTWWWFHMIKQ-YUMQZZPRSA-N 1 2 219.231 1.349 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCC#N ZINC000598739041 349036181 /nfs/dbraw/zinc/03/61/81/349036181.db2.gz UUQZXPMQUIXIID-SNVBAGLBSA-N 1 2 234.303 1.774 20 30 BDEDLO CCN(CC#N)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000599155095 349106849 /nfs/dbraw/zinc/10/68/49/349106849.db2.gz SRODBPBBQFTTQI-NSHDSACASA-N 1 2 246.314 1.126 20 30 BDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1 ZINC000599159979 349108708 /nfs/dbraw/zinc/10/87/08/349108708.db2.gz JALLRTFMLZBUGG-ZDUSSCGKSA-N 1 2 231.299 1.301 20 30 BDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1 ZINC000599159979 349108711 /nfs/dbraw/zinc/10/87/11/349108711.db2.gz JALLRTFMLZBUGG-ZDUSSCGKSA-N 1 2 231.299 1.301 20 30 BDEDLO C=CC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000307004287 349147060 /nfs/dbraw/zinc/14/70/60/349147060.db2.gz CSPIWOCFOWWXSL-KWBADKCTSA-N 1 2 201.335 1.404 20 30 BDEDLO C=CC[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000307004287 349147064 /nfs/dbraw/zinc/14/70/64/349147064.db2.gz CSPIWOCFOWWXSL-KWBADKCTSA-N 1 2 201.335 1.404 20 30 BDEDLO Cc1cc(N[C@@H]2CO[C@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000599180275 349122258 /nfs/dbraw/zinc/12/22/58/349122258.db2.gz KEEVOBGKUAMSMR-JSGCOSHPSA-N 1 2 243.310 1.663 20 30 BDEDLO CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H](C)C#N ZINC000599278058 349138326 /nfs/dbraw/zinc/13/83/26/349138326.db2.gz WHIZVXGHCYDRJX-NSHDSACASA-N 1 2 239.363 1.630 20 30 BDEDLO CC[N@H+](CC(=O)NCC(C)(C)C)C[C@@H](C)C#N ZINC000599278058 349138329 /nfs/dbraw/zinc/13/83/29/349138329.db2.gz WHIZVXGHCYDRJX-NSHDSACASA-N 1 2 239.363 1.630 20 30 BDEDLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1C#N ZINC000599432824 349173527 /nfs/dbraw/zinc/17/35/27/349173527.db2.gz DSQVACPEMQUAGP-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1C#N ZINC000599432824 349173532 /nfs/dbraw/zinc/17/35/32/349173532.db2.gz DSQVACPEMQUAGP-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO COC(=O)[C@@H]1C[N@H+](CCC#N)Cc2ccccc21 ZINC000599670671 349248350 /nfs/dbraw/zinc/24/83/50/349248350.db2.gz UPLLZOJOXUWLSD-CYBMUJFWSA-N 1 2 244.294 1.672 20 30 BDEDLO 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/nfs/dbraw/zinc/95/02/41/355950241.db2.gz VFSIGNYTYFOUFO-NXEZZACHSA-N 1 2 248.330 1.665 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257028 356025577 /nfs/dbraw/zinc/02/55/77/356025577.db2.gz AFVSKXJEGZOSIR-VIFPVBQESA-N 1 2 219.288 1.136 20 30 BDEDLO C=CCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623261017 356128073 /nfs/dbraw/zinc/12/80/73/356128073.db2.gz YEUMOAWCONNTNK-NSHDSACASA-N 1 2 245.326 1.670 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260640 356119003 /nfs/dbraw/zinc/11/90/03/356119003.db2.gz LNIGVYFOYMIXGJ-GXFFZTMASA-N 1 2 233.315 1.526 20 30 BDEDLO Cc1noc(C)c1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329850982 356133326 /nfs/dbraw/zinc/13/33/26/356133326.db2.gz SRHRGXINOPFREG-VIFPVBQESA-N 1 2 239.275 1.210 20 30 BDEDLO Cc1noc(C)c1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329850982 356133328 /nfs/dbraw/zinc/13/33/28/356133328.db2.gz SRHRGXINOPFREG-VIFPVBQESA-N 1 2 239.275 1.210 20 30 BDEDLO [O-]C(NC1CCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330195284 356181182 /nfs/dbraw/zinc/18/11/82/356181182.db2.gz ZNNQAMYAKLGWMP-LLVKDONJSA-N 1 2 248.330 1.644 20 30 BDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCCC1 ZINC000330195284 356181183 /nfs/dbraw/zinc/18/11/83/356181183.db2.gz ZNNQAMYAKLGWMP-LLVKDONJSA-N 1 2 248.330 1.644 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(O)CCCC1 ZINC000330288434 356198295 /nfs/dbraw/zinc/19/82/95/356198295.db2.gz BQIWKJATAHRWOG-SNVBAGLBSA-N 1 2 249.314 1.460 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000160368478 356489161 /nfs/dbraw/zinc/48/91/61/356489161.db2.gz ZZXQCRBVXUTYDH-LBPRGKRZSA-N 1 2 240.347 1.806 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000160368478 356489164 /nfs/dbraw/zinc/48/91/64/356489164.db2.gz ZZXQCRBVXUTYDH-LBPRGKRZSA-N 1 2 240.347 1.806 20 30 BDEDLO N#CC1(C[N@H+]2CCSC[C@H]2CO)CCC1 ZINC000336196955 134126827 /nfs/dbraw/zinc/12/68/27/134126827.db2.gz HFLHCYPMKKEZCB-SNVBAGLBSA-N 1 2 226.345 1.090 20 30 BDEDLO N#CC1(C[N@@H+]2CCSC[C@H]2CO)CCC1 ZINC000336196955 134126828 /nfs/dbraw/zinc/12/68/28/134126828.db2.gz HFLHCYPMKKEZCB-SNVBAGLBSA-N 1 2 226.345 1.090 20 30 BDEDLO C[C@H](O)CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336274904 134141974 /nfs/dbraw/zinc/14/19/74/134141974.db2.gz WTGVDWLZHXAKDQ-QWRGUYRKSA-N 1 2 210.321 1.771 20 30 BDEDLO C[C@H](O)CC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336274904 134141975 /nfs/dbraw/zinc/14/19/75/134141975.db2.gz WTGVDWLZHXAKDQ-QWRGUYRKSA-N 1 2 210.321 1.771 20 30 BDEDLO C[C@@H]1C[N@H+](CCNc2cccc(C#N)n2)CCO1 ZINC000609892405 356649627 /nfs/dbraw/zinc/64/96/27/356649627.db2.gz DCRPFLPBVCETOA-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1C[N@@H+](CCNc2cccc(C#N)n2)CCO1 ZINC000609892405 356649629 /nfs/dbraw/zinc/64/96/29/356649629.db2.gz DCRPFLPBVCETOA-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO N#CCNC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570094 134148716 /nfs/dbraw/zinc/14/87/16/134148716.db2.gz BZBVOHZAZVQRRL-UHFFFAOYSA-N 1 2 245.282 1.008 20 30 BDEDLO N#CCNC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352570094 134148717 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/nfs/dbraw/zinc/87/56/55/368875655.db2.gz XJTJBDHWUCZSRP-UHFFFAOYSA-N 1 2 236.344 1.093 20 30 BDEDLO C=C[C@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459070213 203228540 /nfs/dbraw/zinc/22/85/40/203228540.db2.gz FPWCRDDLZSNUJC-GFCCVEGCSA-N 1 2 249.314 1.045 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360434 203269448 /nfs/dbraw/zinc/26/94/48/203269448.db2.gz HWINRGXDNNGHLK-VIFPVBQESA-N 1 2 246.314 1.794 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360434 203269451 /nfs/dbraw/zinc/26/94/51/203269451.db2.gz HWINRGXDNNGHLK-VIFPVBQESA-N 1 2 246.314 1.794 20 30 BDEDLO Cc1cncc(CC[N@@H+](C)C[C@H](C)C#N)n1 ZINC000402621083 369389002 /nfs/dbraw/zinc/38/90/02/369389002.db2.gz UZZHACLWCPZPAL-SNVBAGLBSA-N 1 2 218.304 1.419 20 30 BDEDLO Cc1cncc(CC[N@H+](C)C[C@H](C)C#N)n1 ZINC000402621083 369389003 /nfs/dbraw/zinc/38/90/03/369389003.db2.gz UZZHACLWCPZPAL-SNVBAGLBSA-N 1 2 218.304 1.419 20 30 BDEDLO CN1CC[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000405078482 369444884 /nfs/dbraw/zinc/44/48/84/369444884.db2.gz NYIGZLJEVHGXCW-CYBMUJFWSA-N 1 2 241.294 1.105 20 30 BDEDLO CN1CC[C@@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000405078482 369444887 /nfs/dbraw/zinc/44/48/87/369444887.db2.gz NYIGZLJEVHGXCW-CYBMUJFWSA-N 1 2 241.294 1.105 20 30 BDEDLO N#CC1(CNc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000619527978 369462142 /nfs/dbraw/zinc/46/21/42/369462142.db2.gz DCIXNDQXXLBBIC-UHFFFAOYSA-N 1 2 240.270 1.378 20 30 BDEDLO Cn1c[nH+]c(CN(CC#N)C2CCCC2)c1 ZINC000619568611 369481191 /nfs/dbraw/zinc/48/11/91/369481191.db2.gz GXEWSXOQWSZLPH-UHFFFAOYSA-N 1 2 218.304 1.688 20 30 BDEDLO CCCNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000250345332 369509349 /nfs/dbraw/zinc/50/93/49/369509349.db2.gz BKOKDSRQKHRKAR-QWRGUYRKSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000250345332 369509351 /nfs/dbraw/zinc/50/93/51/369509351.db2.gz BKOKDSRQKHRKAR-QWRGUYRKSA-N 1 2 223.320 1.137 20 30 BDEDLO C=C[C@@H]([NH2+][C@H](CC)C1CCOCC1)C(=O)OC ZINC000619702157 369534510 /nfs/dbraw/zinc/53/45/10/369534510.db2.gz HKUOVLHZULWJTK-VXGBXAGGSA-N 1 2 241.331 1.509 20 30 BDEDLO C=C[C@@H]([NH2+]CC1CCC(OC)CC1)C(=O)OC ZINC000619702839 369535811 /nfs/dbraw/zinc/53/58/11/369535811.db2.gz TWVBQWSSNPAGTC-HTAVTVPLSA-N 1 2 241.331 1.509 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC)(CO)CC1 ZINC000619720211 369550036 /nfs/dbraw/zinc/55/00/36/369550036.db2.gz ORSXANIQYZABKM-LLVKDONJSA-N 1 2 241.331 1.199 20 30 BDEDLO CC(C)(CNc1nccnc1C#N)n1cc[nH+]c1 ZINC000601198237 369603855 /nfs/dbraw/zinc/60/38/55/369603855.db2.gz SBYGKPJNYPBFFU-UHFFFAOYSA-N 1 2 242.286 1.392 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](C)[C@H](C)O1 ZINC000602629299 369830486 /nfs/dbraw/zinc/83/04/86/369830486.db2.gz MHOGZGMAPJQFLC-WOPDTQHZSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H](C)[C@H](C)O1 ZINC000602629299 369830492 /nfs/dbraw/zinc/83/04/92/369830492.db2.gz MHOGZGMAPJQFLC-WOPDTQHZSA-N 1 2 245.326 1.951 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603091345 369883354 /nfs/dbraw/zinc/88/33/54/369883354.db2.gz WZWIMEHCVUOELZ-DGCLKSJQSA-N 1 2 248.713 1.778 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603091345 369883358 /nfs/dbraw/zinc/88/33/58/369883358.db2.gz WZWIMEHCVUOELZ-DGCLKSJQSA-N 1 2 248.713 1.778 20 30 BDEDLO Cc1cc(NC2CCN(CC#N)CC2)nc[nH+]1 ZINC000110825012 369995669 /nfs/dbraw/zinc/99/56/69/369995669.db2.gz VVZFDHMDTWLXMK-UHFFFAOYSA-N 1 2 231.303 1.185 20 30 BDEDLO Cc1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000078527273 370572009 /nfs/dbraw/zinc/57/20/09/370572009.db2.gz GFAFWXKGCZKVPQ-UHFFFAOYSA-N 1 2 233.315 1.619 20 30 BDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000092099901 371079463 /nfs/dbraw/zinc/07/94/63/371079463.db2.gz TXNJEAAMPRZAJH-LLVKDONJSA-N 1 2 249.339 1.330 20 30 BDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000092099901 371079467 /nfs/dbraw/zinc/07/94/67/371079467.db2.gz TXNJEAAMPRZAJH-LLVKDONJSA-N 1 2 249.339 1.330 20 30 BDEDLO C=CCSCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276483673 371141220 /nfs/dbraw/zinc/14/12/20/371141220.db2.gz SMOKOBGGBPQRAX-UHFFFAOYSA-N 1 2 239.344 1.378 20 30 BDEDLO C=CCSCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276483673 371141223 /nfs/dbraw/zinc/14/12/23/371141223.db2.gz SMOKOBGGBPQRAX-UHFFFAOYSA-N 1 2 239.344 1.378 20 30 BDEDLO CCCN(CC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000276590152 371149603 /nfs/dbraw/zinc/14/96/03/371149603.db2.gz MWFARKWBEIYEFU-UHFFFAOYSA-N 1 2 220.276 1.104 20 30 BDEDLO CCCN(CC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000276590152 371149605 /nfs/dbraw/zinc/14/96/05/371149605.db2.gz MWFARKWBEIYEFU-UHFFFAOYSA-N 1 2 220.276 1.104 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](CCC#N)CCOC ZINC000131529095 371615932 /nfs/dbraw/zinc/61/59/32/371615932.db2.gz XTGZPCOORJAKDH-GFCCVEGCSA-N 1 2 226.320 1.176 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](CCC#N)CCOC ZINC000131529095 371615939 /nfs/dbraw/zinc/61/59/39/371615939.db2.gz XTGZPCOORJAKDH-GFCCVEGCSA-N 1 2 226.320 1.176 20 30 BDEDLO C=CCC1(CNc2nc(C)[nH+]c(N)n2)CCCC1 ZINC000631294603 372280242 /nfs/dbraw/zinc/28/02/42/372280242.db2.gz KTMJCUVTSJZEOG-UHFFFAOYSA-N 1 2 247.346 1.563 20 30 BDEDLO C=CCC1(CNc2nc(N)nc(C)[nH+]2)CCCC1 ZINC000631294603 372280247 /nfs/dbraw/zinc/28/02/47/372280247.db2.gz KTMJCUVTSJZEOG-UHFFFAOYSA-N 1 2 247.346 1.563 20 30 BDEDLO C=C1CC(C)(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000631424825 372355137 /nfs/dbraw/zinc/35/51/37/372355137.db2.gz WUDAKCZQXQQNES-GFCCVEGCSA-N 1 2 247.342 1.992 20 30 BDEDLO CC#CCCNC(=O)Nc1cc[nH+]cc1C ZINC000349976033 205935399 /nfs/dbraw/zinc/93/53/99/205935399.db2.gz ZJHWYLUJHBQBPD-UHFFFAOYSA-N 1 2 217.272 1.347 20 30 BDEDLO C=CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000041287578 374129574 /nfs/dbraw/zinc/12/95/74/374129574.db2.gz MZJHQIMZFMIJFB-UHFFFAOYSA-N 1 2 229.283 1.487 20 30 BDEDLO C=CCN(Cc1c[nH+]cn1C)CC(F)(F)F ZINC000177070366 206006409 /nfs/dbraw/zinc/00/64/09/206006409.db2.gz RKIKVEXYTPYEHU-UHFFFAOYSA-N 1 2 233.237 1.970 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1cc(COC)on1 ZINC000459467481 206128976 /nfs/dbraw/zinc/12/89/76/206128976.db2.gz SHOYNIWUSJPMGH-UHFFFAOYSA-N 1 2 210.277 1.829 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1cc(COC)on1 ZINC000459467481 206128981 /nfs/dbraw/zinc/12/89/81/206128981.db2.gz SHOYNIWUSJPMGH-UHFFFAOYSA-N 1 2 210.277 1.829 20 30 BDEDLO C#CC[NH+](CC#C)CC#Cc1ccccc1 ZINC000192051151 259580517 /nfs/dbraw/zinc/58/05/17/259580517.db2.gz ZANUFJRXRTVAOX-UHFFFAOYSA-N 1 2 207.276 1.607 20 30 BDEDLO C=CCN(c1nc[nH+]c(N)c1Cl)C1CC1 ZINC000225820706 134355614 /nfs/dbraw/zinc/35/56/14/134355614.db2.gz SFVRKZDJWULDRY-UHFFFAOYSA-N 1 2 224.695 1.867 20 30 BDEDLO C=CC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000560034873 383854048 /nfs/dbraw/zinc/85/40/48/383854048.db2.gz UMIRMQGGKMFRNB-UHFFFAOYSA-N 1 2 214.219 1.217 20 30 BDEDLO C=CC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000560034873 383854053 /nfs/dbraw/zinc/85/40/53/383854053.db2.gz UMIRMQGGKMFRNB-UHFFFAOYSA-N 1 2 214.219 1.217 20 30 BDEDLO C=C(Cl)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000298549078 383913079 /nfs/dbraw/zinc/91/30/79/383913079.db2.gz NYDCRYILKYCQTP-SECBINFHSA-N 1 2 228.727 1.854 20 30 BDEDLO C#CCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000363461581 384063373 /nfs/dbraw/zinc/06/33/73/384063373.db2.gz TWWCDOHKIZHJMS-LBPRGKRZSA-N 1 2 205.257 1.676 20 30 BDEDLO C#CCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000363461581 384063376 /nfs/dbraw/zinc/06/33/76/384063376.db2.gz TWWCDOHKIZHJMS-LBPRGKRZSA-N 1 2 205.257 1.676 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccccc1 ZINC000566309878 384075183 /nfs/dbraw/zinc/07/51/83/384075183.db2.gz WHHGVZYOTRGUGB-AWEZNQCLSA-N 1 2 245.326 1.189 20 30 BDEDLO CC(C)[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000336609583 384243196 /nfs/dbraw/zinc/24/31/96/384243196.db2.gz CFZANJKLGZOQOK-AWEZNQCLSA-N 1 2 247.342 1.754 20 30 BDEDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000336609583 384243202 /nfs/dbraw/zinc/24/32/02/384243202.db2.gz CFZANJKLGZOQOK-AWEZNQCLSA-N 1 2 247.342 1.754 20 30 BDEDLO C[C@@H]([NH3+])Cn1nc(C#N)c2ccccc21 ZINC000335446714 384290914 /nfs/dbraw/zinc/29/09/14/384290914.db2.gz JXSSJHWHFYYXGJ-MRVPVSSYSA-N 1 2 200.245 1.255 20 30 BDEDLO Cc1cc(N[C@@H]2CC[C@@H]2C)c(C#N)c[nH+]1 ZINC000335511980 384295853 /nfs/dbraw/zinc/29/58/53/384295853.db2.gz PTVULOCFMSHGCD-GZMMTYOYSA-N 1 2 201.273 1.894 20 30 BDEDLO Cc1cc(NC2CCSCC2)c(C#N)c[nH+]1 ZINC000335512339 384296182 /nfs/dbraw/zinc/29/61/82/384296182.db2.gz QJCPLBZOMWWPGB-UHFFFAOYSA-N 1 2 233.340 1.991 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c[nH]c(C(=O)OC)c1 ZINC000490914988 384485346 /nfs/dbraw/zinc/48/53/46/384485346.db2.gz KNWOQGGZHZOWHX-UHFFFAOYSA-N 1 2 244.294 1.260 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c[nH]c(C(=O)OC)c1 ZINC000490914988 384485358 /nfs/dbraw/zinc/48/53/58/384485358.db2.gz KNWOQGGZHZOWHX-UHFFFAOYSA-N 1 2 244.294 1.260 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(N(C)C)s1 ZINC000490925487 384499948 /nfs/dbraw/zinc/49/99/48/384499948.db2.gz WIBCOQULHZHYCI-UHFFFAOYSA-N 1 2 247.367 1.668 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(N(C)C)s1 ZINC000490925487 384499957 /nfs/dbraw/zinc/49/99/57/384499957.db2.gz WIBCOQULHZHYCI-UHFFFAOYSA-N 1 2 247.367 1.668 20 30 BDEDLO CC[N@H+](C[C@H](C)C#N)C[C@](C)(O)C(F)(F)F ZINC000309803010 384625870 /nfs/dbraw/zinc/62/58/70/384625870.db2.gz WXTPCYKEVOFHMJ-BDAKNGLRSA-N 1 2 238.253 1.781 20 30 BDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@](C)(O)C(F)(F)F ZINC000309803010 384625876 /nfs/dbraw/zinc/62/58/76/384625876.db2.gz WXTPCYKEVOFHMJ-BDAKNGLRSA-N 1 2 238.253 1.781 20 30 BDEDLO CC(C)[C@@H](Nc1cc(C#N)ncn1)c1[nH]cc[nH+]1 ZINC000516943416 384675002 /nfs/dbraw/zinc/67/50/02/384675002.db2.gz ZQKDVJOBZIAQMN-LLVKDONJSA-N 1 2 242.286 1.881 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)c1cccc(C#N)c1 ZINC000071140270 384655284 /nfs/dbraw/zinc/65/52/84/384655284.db2.gz BKMNEMILIQOTFT-UHFFFAOYSA-N 1 2 240.266 1.222 20 30 BDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565900204 384716376 /nfs/dbraw/zinc/71/63/76/384716376.db2.gz QJJJNDVYLFLGOW-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000565900204 384716383 /nfs/dbraw/zinc/71/63/83/384716383.db2.gz QJJJNDVYLFLGOW-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO C=C(C)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000363731167 384750990 /nfs/dbraw/zinc/75/09/90/384750990.db2.gz CXNIIZKTPPADBR-UHFFFAOYSA-N 1 2 221.275 1.905 20 30 BDEDLO C[N@@H+](CCC#N)CCOc1ccccc1[N+](=O)[O-] ZINC000083219219 384751835 /nfs/dbraw/zinc/75/18/35/384751835.db2.gz OADRNJUSFDSXHJ-UHFFFAOYSA-N 1 2 249.270 1.819 20 30 BDEDLO C[N@H+](CCC#N)CCOc1ccccc1[N+](=O)[O-] ZINC000083219219 384751841 /nfs/dbraw/zinc/75/18/41/384751841.db2.gz OADRNJUSFDSXHJ-UHFFFAOYSA-N 1 2 249.270 1.819 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000491807258 384792736 /nfs/dbraw/zinc/79/27/36/384792736.db2.gz SRIPYRPWDUHKLP-JTQLQIEISA-N 1 2 227.267 1.428 20 30 BDEDLO CCOC(=O)C[N@H+](CC)CCC(C)(C)C#N ZINC000087594706 384981898 /nfs/dbraw/zinc/98/18/98/384981898.db2.gz PNCNBPZQPIXYMO-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO CCOC(=O)C[N@@H+](CC)CCC(C)(C)C#N ZINC000087594706 384981903 /nfs/dbraw/zinc/98/19/03/384981903.db2.gz PNCNBPZQPIXYMO-UHFFFAOYSA-N 1 2 226.320 1.811 20 30 BDEDLO Cc1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000308751864 385068076 /nfs/dbraw/zinc/06/80/76/385068076.db2.gz UTXLHSJWSOWNIM-UHFFFAOYSA-N 1 2 207.302 1.845 20 30 BDEDLO C=CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000165341898 385111231 /nfs/dbraw/zinc/11/12/31/385111231.db2.gz XWCVXWALODEZMJ-VIFPVBQESA-N 1 2 200.282 1.522 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC(=O)N1 ZINC000336304010 385159524 /nfs/dbraw/zinc/15/95/24/385159524.db2.gz JKCPYRVWTGILHO-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC(=O)N1 ZINC000336304010 385159529 /nfs/dbraw/zinc/15/95/29/385159529.db2.gz JKCPYRVWTGILHO-NSHDSACASA-N 1 2 243.310 1.073 20 30 BDEDLO CC#CC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000157490832 385164915 /nfs/dbraw/zinc/16/49/15/385164915.db2.gz YYEQEZHIFBWIPK-UHFFFAOYSA-N 1 2 229.327 1.223 20 30 BDEDLO CC#CCN1CC[NH+](Cc2ccccn2)CC1 ZINC000157490832 385164924 /nfs/dbraw/zinc/16/49/24/385164924.db2.gz YYEQEZHIFBWIPK-UHFFFAOYSA-N 1 2 229.327 1.223 20 30 BDEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000308857470 385220228 /nfs/dbraw/zinc/22/02/28/385220228.db2.gz SWMGUSBILWXMII-NXEZZACHSA-N 1 2 204.277 1.582 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C#N)n(C)c1 ZINC000491661176 385400968 /nfs/dbraw/zinc/40/09/68/385400968.db2.gz FFXVWVXKWOWZKU-UHFFFAOYSA-N 1 2 225.295 1.355 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(C#N)n(C)c1 ZINC000491661176 385400974 /nfs/dbraw/zinc/40/09/74/385400974.db2.gz FFXVWVXKWOWZKU-UHFFFAOYSA-N 1 2 225.295 1.355 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C#N)C(C)C ZINC000492590833 385403240 /nfs/dbraw/zinc/40/32/40/385403240.db2.gz FNBQCWHBKLVGLY-ISALQUGTSA-N 1 2 246.314 1.581 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(OC)c1OC ZINC000093461489 533119973 /nfs/dbraw/zinc/11/99/73/533119973.db2.gz ZSEZCGSBILMDIM-UHFFFAOYSA-N 1 2 243.306 1.772 20 30 BDEDLO CNC(=O)C(C)(C)C/[NH+]=C/c1ccccc1O ZINC000157187761 385491185 /nfs/dbraw/zinc/49/11/85/385491185.db2.gz AVWPZBZVWCWEQP-OVCLIPMQSA-N 1 2 234.299 1.583 20 30 BDEDLO CC#CC[N@@H+](C)Cc1ccc(C(=O)OCC)cn1 ZINC000411767562 385605755 /nfs/dbraw/zinc/60/57/55/385605755.db2.gz FXZRSHJCNXGNBW-UHFFFAOYSA-N 1 2 246.310 1.713 20 30 BDEDLO CC#CC[N@H+](C)Cc1ccc(C(=O)OCC)cn1 ZINC000411767562 385605761 /nfs/dbraw/zinc/60/57/61/385605761.db2.gz FXZRSHJCNXGNBW-UHFFFAOYSA-N 1 2 246.310 1.713 20 30 BDEDLO CC#CC[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000309453676 385587359 /nfs/dbraw/zinc/58/73/59/385587359.db2.gz LTHHYPBJHAJOIP-UHFFFAOYSA-N 1 2 223.316 1.721 20 30 BDEDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc(C#N)c1 ZINC000182103589 385636227 /nfs/dbraw/zinc/63/62/27/385636227.db2.gz JGUWQJVMTAWFSH-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=C[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000309585514 385718374 /nfs/dbraw/zinc/71/83/74/385718374.db2.gz SCHBVUCTWQXGAN-VIFPVBQESA-N 1 2 215.256 1.589 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@@H](C#N)C(C)C)[nH+]1 ZINC000602096191 385766594 /nfs/dbraw/zinc/76/65/94/385766594.db2.gz HAIBOUGVCRKITK-JTQLQIEISA-N 1 2 234.303 1.179 20 30 BDEDLO C[C@@H]1C[NH+](Cc2ccno2)C[C@@H](C)N1CC#N ZINC000602852583 385827488 /nfs/dbraw/zinc/82/74/88/385827488.db2.gz CWIKJJIFSSUKQA-GHMZBOCLSA-N 1 2 234.303 1.093 20 30 BDEDLO CCC[N@H+](CC#N)C[C@H](O)CC(F)(F)F ZINC000189351148 385983371 /nfs/dbraw/zinc/98/33/71/385983371.db2.gz ZZTVLRNROSQASH-MRVPVSSYSA-N 1 2 224.226 1.535 20 30 BDEDLO CCC[N@@H+](CC#N)C[C@H](O)CC(F)(F)F ZINC000189351148 385983376 /nfs/dbraw/zinc/98/33/76/385983376.db2.gz ZZTVLRNROSQASH-MRVPVSSYSA-N 1 2 224.226 1.535 20 30 BDEDLO C#CC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076649592 533152746 /nfs/dbraw/zinc/15/27/46/533152746.db2.gz VBHLOOYNVBMWCK-UHFFFAOYSA-N 1 2 220.238 1.190 20 30 BDEDLO C#CC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076649592 533152750 /nfs/dbraw/zinc/15/27/50/533152750.db2.gz VBHLOOYNVBMWCK-UHFFFAOYSA-N 1 2 220.238 1.190 20 30 BDEDLO C[C@@H](C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000345831801 386120207 /nfs/dbraw/zinc/12/02/07/386120207.db2.gz CIISOOLWFQECKL-JTQLQIEISA-N 1 2 246.314 1.038 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCc1cscn1 ZINC000297101221 386225674 /nfs/dbraw/zinc/22/56/74/386225674.db2.gz LDZFGCHYYBQTIC-SECBINFHSA-N 1 2 209.318 1.777 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCc1cscn1 ZINC000297101221 386225679 /nfs/dbraw/zinc/22/56/79/386225679.db2.gz LDZFGCHYYBQTIC-SECBINFHSA-N 1 2 209.318 1.777 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000643399003 386196186 /nfs/dbraw/zinc/19/61/86/386196186.db2.gz PMBBCZHYAUDGRL-UHFFFAOYSA-N 1 2 223.320 1.006 20 30 BDEDLO CC[C@@H](C#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335264985 386297107 /nfs/dbraw/zinc/29/71/07/386297107.db2.gz UFRCAPOERLCDNY-IUCAKERBSA-N 1 2 232.287 1.248 20 30 BDEDLO CC[C@@H](C#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335264985 386297114 /nfs/dbraw/zinc/29/71/14/386297114.db2.gz UFRCAPOERLCDNY-IUCAKERBSA-N 1 2 232.287 1.248 20 30 BDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335264983 386297546 /nfs/dbraw/zinc/29/75/46/386297546.db2.gz UFRCAPOERLCDNY-DTWKUNHWSA-N 1 2 232.287 1.248 20 30 BDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335264983 386297549 /nfs/dbraw/zinc/29/75/49/386297549.db2.gz UFRCAPOERLCDNY-DTWKUNHWSA-N 1 2 232.287 1.248 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347372829 386371193 /nfs/dbraw/zinc/37/11/93/386371193.db2.gz KIHLZRAWTUDTBG-CYBMUJFWSA-N 1 2 240.322 1.621 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347372829 386371197 /nfs/dbraw/zinc/37/11/97/386371197.db2.gz KIHLZRAWTUDTBG-CYBMUJFWSA-N 1 2 240.322 1.621 20 30 BDEDLO C[N@H+](CCc1nccs1)CC1(C#N)CC1 ZINC000347457727 386412542 /nfs/dbraw/zinc/41/25/42/386412542.db2.gz GPDFWLFPUWUPMY-UHFFFAOYSA-N 1 2 221.329 1.921 20 30 BDEDLO C[N@@H+](CCc1nccs1)CC1(C#N)CC1 ZINC000347457727 386412548 /nfs/dbraw/zinc/41/25/48/386412548.db2.gz GPDFWLFPUWUPMY-UHFFFAOYSA-N 1 2 221.329 1.921 20 30 BDEDLO Cc1cc(N[C@@H]2CCC[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000399001950 386504752 /nfs/dbraw/zinc/50/47/52/386504752.db2.gz UAZRJHUVKXFJNX-DGCLKSJQSA-N 1 2 245.326 1.647 20 30 BDEDLO C=CCCOCCNc1cc(C)[nH+]cc1C#N ZINC000399353056 386522562 /nfs/dbraw/zinc/52/25/62/386522562.db2.gz DXLBRGCOIDAAKT-UHFFFAOYSA-N 1 2 231.299 1.688 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c[nH+]1 ZINC000328772148 386619693 /nfs/dbraw/zinc/61/96/93/386619693.db2.gz JPNLIDHYYUOQLC-SECBINFHSA-N 1 2 245.286 1.303 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCN(C(=O)CC)C1 ZINC000644950724 386639852 /nfs/dbraw/zinc/63/98/52/386639852.db2.gz WGORFTIZOVSZFE-NSHDSACASA-N 1 2 208.305 1.300 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCN(C(=O)CC)C1 ZINC000644950724 386639857 /nfs/dbraw/zinc/63/98/57/386639857.db2.gz WGORFTIZOVSZFE-NSHDSACASA-N 1 2 208.305 1.300 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290946684 386610306 /nfs/dbraw/zinc/61/03/06/386610306.db2.gz PHFDMHGAJXEMAY-CYBMUJFWSA-N 1 2 233.315 1.828 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCO1 ZINC000328982019 386666020 /nfs/dbraw/zinc/66/60/20/386666020.db2.gz YKAQQQRURKWNOH-KCJUWKMLSA-N 1 2 235.287 1.403 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCO1 ZINC000328982019 386666029 /nfs/dbraw/zinc/66/60/29/386666029.db2.gz YKAQQQRURKWNOH-KCJUWKMLSA-N 1 2 235.287 1.403 20 30 BDEDLO CCn1cnnc1C1CC[NH+](CCC#N)CC1 ZINC000330364011 386674504 /nfs/dbraw/zinc/67/45/04/386674504.db2.gz BXCZOPKPUBDVGW-UHFFFAOYSA-N 1 2 233.319 1.391 20 30 BDEDLO Cc1noc([C@H](C)NC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000330455050 386716268 /nfs/dbraw/zinc/71/62/68/386716268.db2.gz MLEVTTHVBUMPMO-YFKPBYRVSA-N 1 2 235.247 1.475 20 30 BDEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000101565540 386781748 /nfs/dbraw/zinc/78/17/48/386781748.db2.gz VECIBBUEQDGJJH-LLVKDONJSA-N 1 2 223.320 1.281 20 30 BDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000101565540 386781755 /nfs/dbraw/zinc/78/17/55/386781755.db2.gz VECIBBUEQDGJJH-LLVKDONJSA-N 1 2 223.320 1.281 20 30 BDEDLO Cc1cc(NC[C@]2(C)CCCO2)c(C#N)c[nH+]1 ZINC000399386112 386785133 /nfs/dbraw/zinc/78/51/33/386785133.db2.gz QLMANXSHNOEUKA-ZDUSSCGKSA-N 1 2 231.299 1.665 20 30 BDEDLO C#CC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000077986639 386827770 /nfs/dbraw/zinc/82/77/70/386827770.db2.gz HLNMWWGWRLEMBC-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000077986639 386827774 /nfs/dbraw/zinc/82/77/74/386827774.db2.gz HLNMWWGWRLEMBC-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO CC(C)n1c[nH+]cc1CN1CCO[C@H](C#N)C1 ZINC000425341370 386843654 /nfs/dbraw/zinc/84/36/54/386843654.db2.gz XCWYOIBJNMWPRL-GFCCVEGCSA-N 1 2 234.303 1.188 20 30 BDEDLO N#CCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000335743110 386861508 /nfs/dbraw/zinc/86/15/08/386861508.db2.gz BIERTTVJTYYEGN-UHFFFAOYSA-N 1 2 249.339 1.306 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000051814868 386870760 /nfs/dbraw/zinc/87/07/60/386870760.db2.gz XMBKJVIUWHJWGX-AWEZNQCLSA-N 1 2 243.306 1.676 20 30 BDEDLO COC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000051814868 386870764 /nfs/dbraw/zinc/87/07/64/386870764.db2.gz XMBKJVIUWHJWGX-AWEZNQCLSA-N 1 2 243.306 1.676 20 30 BDEDLO Cc1[nH]c(C(=O)NC(C)(C)C(C)(C)CO)c[nH+]1 ZINC000330797197 386890245 /nfs/dbraw/zinc/89/02/45/386890245.db2.gz FWFSXXPGOYCEOP-UHFFFAOYSA-N 1 2 239.319 1.820 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000334890521 386964149 /nfs/dbraw/zinc/96/41/49/386964149.db2.gz KFXVGANKVUKPCR-LLVKDONJSA-N 1 2 212.268 1.087 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000334890521 386964153 /nfs/dbraw/zinc/96/41/53/386964153.db2.gz KFXVGANKVUKPCR-LLVKDONJSA-N 1 2 212.268 1.087 20 30 BDEDLO Cc1cc(NCCc2cscn2)c(C#N)c[nH+]1 ZINC000399571222 387019693 /nfs/dbraw/zinc/01/96/93/387019693.db2.gz IPTRCSKZBRAZIP-UHFFFAOYSA-N 1 2 244.323 1.795 20 30 BDEDLO CC[N@H+](CCN1CCCC1=O)C[C@@H](C)C#N ZINC000066425072 387083217 /nfs/dbraw/zinc/08/32/17/387083217.db2.gz KJHVFLNXQNVZNS-NSHDSACASA-N 1 2 223.320 1.090 20 30 BDEDLO CC[N@@H+](CCN1CCCC1=O)C[C@@H](C)C#N ZINC000066425072 387083221 /nfs/dbraw/zinc/08/32/21/387083221.db2.gz KJHVFLNXQNVZNS-NSHDSACASA-N 1 2 223.320 1.090 20 30 BDEDLO Cn1ncc(Cl)c1C[NH2+]CC1(C#N)CCC1 ZINC000418144670 387167318 /nfs/dbraw/zinc/16/73/18/387167318.db2.gz UNGHOQTVYAALST-UHFFFAOYSA-N 1 2 238.722 1.857 20 30 BDEDLO COc1ccc2c(c1)nc(C[NH2+]CCC#N)n2C ZINC000572276819 387297675 /nfs/dbraw/zinc/29/76/75/387297675.db2.gz KVIQQMVGXURESC-UHFFFAOYSA-N 1 2 244.298 1.585 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2cscn2)cc1C#N ZINC000191275821 387367295 /nfs/dbraw/zinc/36/72/95/387367295.db2.gz NPZDRDGLAGOYHY-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2cscn2)cc1C#N ZINC000191275821 387367299 /nfs/dbraw/zinc/36/72/99/387367299.db2.gz NPZDRDGLAGOYHY-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO C=C1CC[NH+](CC(=O)Nc2cc(C)nn2C)CC1 ZINC000264452640 387392250 /nfs/dbraw/zinc/39/22/50/387392250.db2.gz IOPMZNKZPNGORX-UHFFFAOYSA-N 1 2 248.330 1.319 20 30 BDEDLO C#CC[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267436259 387409546 /nfs/dbraw/zinc/40/95/46/387409546.db2.gz NYAWQUPIANEEKB-UHFFFAOYSA-N 1 2 221.329 1.207 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000269728887 387423224 /nfs/dbraw/zinc/42/32/24/387423224.db2.gz ZVMGFVWLXFYUPT-VIFPVBQESA-N 1 2 248.779 1.292 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000275996090 387515406 /nfs/dbraw/zinc/51/54/06/387515406.db2.gz NXQHLYILEKOGQM-LBPRGKRZSA-N 1 2 221.304 1.937 20 30 BDEDLO CN(C)C(=O)CCC[N@H+](CC#N)C1CCCC1 ZINC000080215934 387544521 /nfs/dbraw/zinc/54/45/21/387544521.db2.gz LYTVLJVXSALLKT-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO CN(C)C(=O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000080215934 387544527 /nfs/dbraw/zinc/54/45/27/387544527.db2.gz LYTVLJVXSALLKT-UHFFFAOYSA-N 1 2 237.347 1.623 20 30 BDEDLO CC(C)n1cncc1C[NH2+]C[C@@H](C)C#N ZINC000085188269 387479936 /nfs/dbraw/zinc/47/99/36/387479936.db2.gz NWNFBUMBWXQUOS-JTQLQIEISA-N 1 2 206.293 1.713 20 30 BDEDLO CC(C)n1c[nH+]cc1CNC[C@@H](C)C#N ZINC000085188269 387479941 /nfs/dbraw/zinc/47/99/41/387479941.db2.gz NWNFBUMBWXQUOS-JTQLQIEISA-N 1 2 206.293 1.713 20 30 BDEDLO CC#CCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274630827 387481998 /nfs/dbraw/zinc/48/19/98/387481998.db2.gz RHBPKTBRDCBTRJ-CYBMUJFWSA-N 1 2 247.342 1.829 20 30 BDEDLO COCC1(C)C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000432734959 387811890 /nfs/dbraw/zinc/81/18/90/387811890.db2.gz ZVZURLFLKKKLFK-LLVKDONJSA-N 1 2 221.304 1.398 20 30 BDEDLO CC#CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000157326839 387784501 /nfs/dbraw/zinc/78/45/01/387784501.db2.gz JXIQKSLCFKMBSH-UHFFFAOYSA-N 1 2 232.302 1.971 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ncnn1C ZINC000353225826 387757978 /nfs/dbraw/zinc/75/79/78/387757978.db2.gz OZYVFILXTRIHAX-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccc(CC)o2)nn1 ZINC000424169351 387861268 /nfs/dbraw/zinc/86/12/68/387861268.db2.gz HZAQRDLWKCYNAV-UHFFFAOYSA-N 1 2 246.314 1.909 20 30 BDEDLO C=CCn1cc(CNc2[nH+]cccc2OC)nn1 ZINC000528038146 387819596 /nfs/dbraw/zinc/81/95/96/387819596.db2.gz KJPXTNCLDRPTSZ-UHFFFAOYSA-N 1 2 245.286 1.480 20 30 BDEDLO C=CC(C)(C)CNC(=O)CCc1c[nH+]cn1C ZINC000452777580 387915709 /nfs/dbraw/zinc/91/57/09/387915709.db2.gz VMLVOCNZEHEGQQ-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO CC(=O)Nc1ccccc1C[NH2+]CCC#N ZINC000085573036 388090768 /nfs/dbraw/zinc/09/07/68/388090768.db2.gz YLEZZVHIZXMBLS-UHFFFAOYSA-N 1 2 217.272 1.648 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258172 388172389 /nfs/dbraw/zinc/17/23/89/388172389.db2.gz IOUSQFBHKYWIAZ-JTQLQIEISA-N 1 2 249.314 1.276 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258172 388172390 /nfs/dbraw/zinc/17/23/90/388172390.db2.gz IOUSQFBHKYWIAZ-JTQLQIEISA-N 1 2 249.314 1.276 20 30 BDEDLO C=C(CC)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000454980615 388144114 /nfs/dbraw/zinc/14/41/14/388144114.db2.gz WBVXXBLIOBBZJD-SNVBAGLBSA-N 1 2 248.330 1.532 20 30 BDEDLO C=C(CC)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000454980615 388144118 /nfs/dbraw/zinc/14/41/18/388144118.db2.gz WBVXXBLIOBBZJD-SNVBAGLBSA-N 1 2 248.330 1.532 20 30 BDEDLO C=C(C)CCNC(=O)Nc1cc[nH+]cc1C ZINC000455033211 388145384 /nfs/dbraw/zinc/14/53/84/388145384.db2.gz KWVNFCHQWCDCCC-UHFFFAOYSA-N 1 2 219.288 1.900 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(C)cs1 ZINC000490851318 388256669 /nfs/dbraw/zinc/25/66/69/388256669.db2.gz GQBBXSWHZGAHGW-UHFFFAOYSA-N 1 2 237.328 1.345 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(C)cs1 ZINC000490851318 388256671 /nfs/dbraw/zinc/25/66/71/388256671.db2.gz GQBBXSWHZGAHGW-UHFFFAOYSA-N 1 2 237.328 1.345 20 30 BDEDLO C[C@@H]([NH2+]Cc1nncn1C)c1cccc(C#N)c1 ZINC000038007955 388257087 /nfs/dbraw/zinc/25/70/87/388257087.db2.gz ACDCYSJKIDGXPU-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=C(C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000488581438 388189405 /nfs/dbraw/zinc/18/94/05/388189405.db2.gz USROXRWLLGFFAC-SNVBAGLBSA-N 1 2 222.292 1.147 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn(CCC)c1 ZINC000490916003 388259715 /nfs/dbraw/zinc/25/97/15/388259715.db2.gz RAEKTVDKPANNIB-UHFFFAOYSA-N 1 2 229.327 1.752 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(CCC)c1 ZINC000490916003 388259717 /nfs/dbraw/zinc/25/97/17/388259717.db2.gz RAEKTVDKPANNIB-UHFFFAOYSA-N 1 2 229.327 1.752 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1N(C)C ZINC000491296470 388283633 /nfs/dbraw/zinc/28/36/33/388283633.db2.gz MFBKOVCVTJHGKV-AWEZNQCLSA-N 1 2 244.338 1.587 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1N(C)C ZINC000491296470 388283634 /nfs/dbraw/zinc/28/36/34/388283634.db2.gz MFBKOVCVTJHGKV-AWEZNQCLSA-N 1 2 244.338 1.587 20 30 BDEDLO C#CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000491337549 388286026 /nfs/dbraw/zinc/28/60/26/388286026.db2.gz BAKMXQMHJNNTSN-JTQLQIEISA-N 1 2 223.316 1.814 20 30 BDEDLO C#CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000491337549 388286028 /nfs/dbraw/zinc/28/60/28/388286028.db2.gz BAKMXQMHJNNTSN-JTQLQIEISA-N 1 2 223.316 1.814 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccccc1 ZINC000491339369 388286648 /nfs/dbraw/zinc/28/66/48/388286648.db2.gz PJRXMTOOHCSNGP-AWEZNQCLSA-N 1 2 215.296 1.563 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccccc1 ZINC000491339369 388286650 /nfs/dbraw/zinc/28/66/50/388286650.db2.gz PJRXMTOOHCSNGP-AWEZNQCLSA-N 1 2 215.296 1.563 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000491465147 388296674 /nfs/dbraw/zinc/29/66/74/388296674.db2.gz VJJOEKIEPWHMBC-ZYHUDNBSSA-N 1 2 234.343 1.544 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000491465147 388296675 /nfs/dbraw/zinc/29/66/75/388296675.db2.gz VJJOEKIEPWHMBC-ZYHUDNBSSA-N 1 2 234.343 1.544 20 30 BDEDLO C#CC[N@@H+](CC#CC)[C@@H]1CCCN(C(C)C)C1=O ZINC000491483608 388297954 /nfs/dbraw/zinc/29/79/54/388297954.db2.gz CQJDJTFLYBERNH-CQSZACIVSA-N 1 2 246.354 1.344 20 30 BDEDLO C#CC[N@H+](CC#CC)[C@@H]1CCCN(C(C)C)C1=O ZINC000491483608 388297956 /nfs/dbraw/zinc/29/79/56/388297956.db2.gz CQJDJTFLYBERNH-CQSZACIVSA-N 1 2 246.354 1.344 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000491536588 388301957 /nfs/dbraw/zinc/30/19/57/388301957.db2.gz KXGUMXFSYFGOAW-RWMBFGLXSA-N 1 2 234.343 1.689 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000491536588 388301959 /nfs/dbraw/zinc/30/19/59/388301959.db2.gz KXGUMXFSYFGOAW-RWMBFGLXSA-N 1 2 234.343 1.689 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000491537299 388301985 /nfs/dbraw/zinc/30/19/85/388301985.db2.gz PLNKGVGUBHMSNC-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000491537299 388301986 /nfs/dbraw/zinc/30/19/86/388301986.db2.gz PLNKGVGUBHMSNC-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000491537300 388302038 /nfs/dbraw/zinc/30/20/38/388302038.db2.gz PLNKGVGUBHMSNC-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000491537300 388302039 /nfs/dbraw/zinc/30/20/39/388302039.db2.gz PLNKGVGUBHMSNC-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCC#N)C1 ZINC000451877121 388302869 /nfs/dbraw/zinc/30/28/69/388302869.db2.gz ZPBADIDZJQBABT-SNVBAGLBSA-N 1 2 249.280 1.716 20 30 BDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CCC#N)C1 ZINC000451877121 388302871 /nfs/dbraw/zinc/30/28/71/388302871.db2.gz ZPBADIDZJQBABT-SNVBAGLBSA-N 1 2 249.280 1.716 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC(C)(C)CC1=O ZINC000491616155 388304886 /nfs/dbraw/zinc/30/48/86/388304886.db2.gz ADIJEPMLKSAABU-SNVBAGLBSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC(C)(C)CC1=O ZINC000491616155 388304887 /nfs/dbraw/zinc/30/48/87/388304887.db2.gz ADIJEPMLKSAABU-SNVBAGLBSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](CCC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000491622044 388305664 /nfs/dbraw/zinc/30/56/64/388305664.db2.gz GHPARLUAUUNAAM-VQCYPWCPSA-N 1 2 217.272 1.341 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn2ccsc2n1 ZINC000491626896 388306058 /nfs/dbraw/zinc/30/60/58/388306058.db2.gz JFVGMJUAEZPOBI-UHFFFAOYSA-N 1 2 205.286 1.461 20 30 BDEDLO C#CC[N@H+](C)Cc1cn2ccsc2n1 ZINC000491626896 388306059 /nfs/dbraw/zinc/30/60/59/388306059.db2.gz JFVGMJUAEZPOBI-UHFFFAOYSA-N 1 2 205.286 1.461 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOCCC(C)C ZINC000491630721 388306281 /nfs/dbraw/zinc/30/62/81/388306281.db2.gz NKNMCRAZMXHZGI-ZDUSSCGKSA-N 1 2 225.332 1.383 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOCCC(C)C ZINC000491630721 388306282 /nfs/dbraw/zinc/30/62/82/388306282.db2.gz NKNMCRAZMXHZGI-ZDUSSCGKSA-N 1 2 225.332 1.383 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](C2CC2)CC1=O ZINC000491644077 388307572 /nfs/dbraw/zinc/30/75/72/388307572.db2.gz IOUMACOKNKOCJL-ZYHUDNBSSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](C2CC2)CC1=O ZINC000491644077 388307573 /nfs/dbraw/zinc/30/75/73/388307573.db2.gz IOUMACOKNKOCJL-ZYHUDNBSSA-N 1 2 220.316 1.156 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000491647772 388307795 /nfs/dbraw/zinc/30/77/95/388307795.db2.gz ZMOUVGNPCWQHJD-GDLCADMTSA-N 1 2 246.354 1.544 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000491647772 388307796 /nfs/dbraw/zinc/30/77/96/388307796.db2.gz ZMOUVGNPCWQHJD-GDLCADMTSA-N 1 2 246.354 1.544 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(C)[nH]1)C1CCCCC1 ZINC000491664459 388309430 /nfs/dbraw/zinc/30/94/30/388309430.db2.gz UEOORGXEFKOQIJ-UHFFFAOYSA-N 1 2 232.331 1.881 20 30 BDEDLO C#CC[N@H+](Cc1nnc(C)[nH]1)C1CCCCC1 ZINC000491664459 388309431 /nfs/dbraw/zinc/30/94/31/388309431.db2.gz UEOORGXEFKOQIJ-UHFFFAOYSA-N 1 2 232.331 1.881 20 30 BDEDLO C#C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C ZINC000491681499 388310711 /nfs/dbraw/zinc/31/07/11/388310711.db2.gz NQIXVMZPSJWPDN-FGEFZZPRSA-N 1 2 231.299 1.587 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C ZINC000491716110 388314324 /nfs/dbraw/zinc/31/43/24/388314324.db2.gz RSCUSHWPYOBOGA-LLVKDONJSA-N 1 2 231.361 1.153 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CCCS(=O)(=O)C(C)C ZINC000491716110 388314325 /nfs/dbraw/zinc/31/43/25/388314325.db2.gz RSCUSHWPYOBOGA-LLVKDONJSA-N 1 2 231.361 1.153 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000491729197 388315663 /nfs/dbraw/zinc/31/56/63/388315663.db2.gz FJPFCFABSQNONB-MRVPVSSYSA-N 1 2 222.248 1.011 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000491729197 388315664 /nfs/dbraw/zinc/31/56/64/388315664.db2.gz FJPFCFABSQNONB-MRVPVSSYSA-N 1 2 222.248 1.011 20 30 BDEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000491752291 388317860 /nfs/dbraw/zinc/31/78/60/388317860.db2.gz WDYACOBNYXADLM-KBPBESRZSA-N 1 2 233.286 1.420 20 30 BDEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000491752291 388317861 /nfs/dbraw/zinc/31/78/61/388317861.db2.gz WDYACOBNYXADLM-KBPBESRZSA-N 1 2 233.286 1.420 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC(CC)(CC)OC1=O ZINC000491772078 388319387 /nfs/dbraw/zinc/31/93/87/388319387.db2.gz PYVSUZDRKMKBNN-NSHDSACASA-N 1 2 238.331 1.908 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC(CC)(CC)OC1=O ZINC000491772078 388319388 /nfs/dbraw/zinc/31/93/88/388319388.db2.gz PYVSUZDRKMKBNN-NSHDSACASA-N 1 2 238.331 1.908 20 30 BDEDLO CCn1cc[nH+]c1C=CC(=O)NC1=NO[C@H](C)C1 ZINC000492333275 388341660 /nfs/dbraw/zinc/34/16/60/388341660.db2.gz VZIHCIRPLNXATF-XRVBUDJMSA-N 1 2 248.286 1.155 20 30 BDEDLO C#C[C@H](CCC)Nc1[nH+]cnc2c1cnn2C ZINC000233366553 388346397 /nfs/dbraw/zinc/34/63/97/388346397.db2.gz ADKRWIFTMYJLAH-SECBINFHSA-N 1 2 229.287 1.577 20 30 BDEDLO C[C@H]1C[C@H](Nc2ccncc2C#N)c2[nH+]ccn21 ZINC000520338303 256671431 /nfs/dbraw/zinc/67/14/31/256671431.db2.gz KJZPRWDORZALSK-CABZTGNLSA-N 1 2 239.282 1.690 20 30 BDEDLO CC(C)[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572965430 388400430 /nfs/dbraw/zinc/40/04/30/388400430.db2.gz ONSMZSFPZKDXKY-JQWIXIFHSA-N 1 2 225.336 1.239 20 30 BDEDLO CCc1nnc(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC000548115374 388515086 /nfs/dbraw/zinc/51/50/86/388515086.db2.gz BRWGFCURDYRRRM-UHFFFAOYSA-N 1 2 233.319 1.493 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297244208 388603493 /nfs/dbraw/zinc/60/34/93/388603493.db2.gz ZMZFGFMCQHCMSV-UHFFFAOYSA-N 1 2 247.298 1.282 20 30 BDEDLO N#CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000082275285 388611530 /nfs/dbraw/zinc/61/15/30/388611530.db2.gz NGYVWEDGQWUZRS-UHFFFAOYSA-N 1 2 226.239 1.724 20 30 BDEDLO C[C@@H]1C[C@H](C[N@@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000615652508 388581734 /nfs/dbraw/zinc/58/17/34/388581734.db2.gz YOTUEAUNCWYRHV-UTUOFQBUSA-N 1 2 226.295 1.739 20 30 BDEDLO C[C@@H]1C[C@H](C[N@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000615652508 388581735 /nfs/dbraw/zinc/58/17/35/388581735.db2.gz YOTUEAUNCWYRHV-UTUOFQBUSA-N 1 2 226.295 1.739 20 30 BDEDLO Cc1cccc(CCNc2ccc(C#N)cn2)[nH+]1 ZINC000359842339 388630684 /nfs/dbraw/zinc/63/06/84/388630684.db2.gz KTCXHVRVFPXXIQ-UHFFFAOYSA-N 1 2 238.294 1.733 20 30 BDEDLO CC#CC[N@@H+](CC(=O)OCC)C1CCC1 ZINC000342375999 135268493 /nfs/dbraw/zinc/26/84/93/135268493.db2.gz XUNKNTWUONITMJ-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO CC#CC[N@H+](CC(=O)OCC)C1CCC1 ZINC000342375999 135268494 /nfs/dbraw/zinc/26/84/94/135268494.db2.gz XUNKNTWUONITMJ-UHFFFAOYSA-N 1 2 209.289 1.427 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000515495877 388649255 /nfs/dbraw/zinc/64/92/55/388649255.db2.gz JWRYTUZJAOOZHC-KBPBESRZSA-N 1 2 243.310 1.707 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000515495877 388649257 /nfs/dbraw/zinc/64/92/57/388649257.db2.gz JWRYTUZJAOOZHC-KBPBESRZSA-N 1 2 243.310 1.707 20 30 BDEDLO CC(C)n1c[nH+]cc1CNc1n[nH]cc1C#N ZINC000424183748 388694952 /nfs/dbraw/zinc/69/49/52/388694952.db2.gz WOISDCJZGPALKR-UHFFFAOYSA-N 1 2 230.275 1.093 20 30 BDEDLO Cc1cc(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(C#N)c[nH+]1 ZINC000528206292 388705171 /nfs/dbraw/zinc/70/51/71/388705171.db2.gz OBGXOGPDCUBMTC-PUHVVEEASA-N 1 2 245.326 1.907 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(C)C1=O ZINC000538711791 388708123 /nfs/dbraw/zinc/70/81/23/388708123.db2.gz SXIKWRMNXQVJFC-WDEREUQCSA-N 1 2 223.320 1.089 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(C)C1=O ZINC000538711791 388708125 /nfs/dbraw/zinc/70/81/25/388708125.db2.gz SXIKWRMNXQVJFC-WDEREUQCSA-N 1 2 223.320 1.089 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000194155393 388725108 /nfs/dbraw/zinc/72/51/08/388725108.db2.gz BSJAJNNUSPEVAR-UHFFFAOYSA-N 1 2 231.299 1.025 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC000125890871 388812716 /nfs/dbraw/zinc/81/27/16/388812716.db2.gz ZFTRJACKCTVWHW-JTQLQIEISA-N 1 2 227.271 1.650 20 30 BDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194539080 388815053 /nfs/dbraw/zinc/81/50/53/388815053.db2.gz ZUENSBFCSZZABN-UHFFFAOYSA-N 1 2 244.294 1.696 20 30 BDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194539080 388815057 /nfs/dbraw/zinc/81/50/57/388815057.db2.gz ZUENSBFCSZZABN-UHFFFAOYSA-N 1 2 244.294 1.696 20 30 BDEDLO CCCSCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000555480261 388851408 /nfs/dbraw/zinc/85/14/08/388851408.db2.gz MZWXQLXPMNJPRI-LLVKDONJSA-N 1 2 243.376 1.090 20 30 BDEDLO C#C[C@H](CC)[NH2+][C@H](CCCC)C(=O)OC ZINC000233039316 388861247 /nfs/dbraw/zinc/86/12/47/388861247.db2.gz LUIHXBIZULCGIR-GHMZBOCLSA-N 1 2 211.305 1.720 20 30 BDEDLO CC(C)(C#N)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290932783 133572051 /nfs/dbraw/zinc/57/20/51/133572051.db2.gz MUJDSMYTVADCJN-UHFFFAOYSA-N 1 2 232.287 1.165 20 30 BDEDLO COCc1cc(C[NH+]2CCC(C#N)CC2)no1 ZINC000331110898 133637288 /nfs/dbraw/zinc/63/72/88/133637288.db2.gz IKBHLQFJCQGLBA-UHFFFAOYSA-N 1 2 235.287 1.557 20 30 BDEDLO C[C@H]([C@H](C)[N@H+](C)CCCC#N)S(C)(=O)=O ZINC000332495417 134005383 /nfs/dbraw/zinc/00/53/83/134005383.db2.gz GUQMKUAKZNGZJF-VHSXEESVSA-N 1 2 232.349 1.044 20 30 BDEDLO C[C@H]([C@H](C)[N@@H+](C)CCCC#N)S(C)(=O)=O ZINC000332495417 134005384 /nfs/dbraw/zinc/00/53/84/134005384.db2.gz GUQMKUAKZNGZJF-VHSXEESVSA-N 1 2 232.349 1.044 20 30 BDEDLO N#CCC1(O)C[NH+](Cc2ccccc2)C1 ZINC000336121327 134091802 /nfs/dbraw/zinc/09/18/02/134091802.db2.gz LJWWJCXJRQOUMV-UHFFFAOYSA-N 1 2 202.257 1.147 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)c1cc(C#N)cs1 ZINC000336184682 134121039 /nfs/dbraw/zinc/12/10/39/134121039.db2.gz PPVDYYAAMPYLEY-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000336384073 134145859 /nfs/dbraw/zinc/14/58/59/134145859.db2.gz IAPCSSNJIVQPJV-MNOVXSKESA-N 1 2 246.314 1.064 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@@H](C2CC2)O1 ZINC000336543113 134149141 /nfs/dbraw/zinc/14/91/41/134149141.db2.gz OLLUSWUEEDBXEB-PWSUYJOCSA-N 1 2 220.316 1.789 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@@H](C2CC2)O1 ZINC000336543113 134149142 /nfs/dbraw/zinc/14/91/42/134149142.db2.gz OLLUSWUEEDBXEB-PWSUYJOCSA-N 1 2 220.316 1.789 20 30 BDEDLO C=C[C@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302886841 134158046 /nfs/dbraw/zinc/15/80/46/134158046.db2.gz LQWKQBGAVIADJB-JTQLQIEISA-N 1 2 234.303 1.300 20 30 BDEDLO C=C[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302886841 134158047 /nfs/dbraw/zinc/15/80/47/134158047.db2.gz LQWKQBGAVIADJB-JTQLQIEISA-N 1 2 234.303 1.300 20 30 BDEDLO CCOc1cccc(C[N@H+](CCO)CCC#N)c1 ZINC000354026025 134165933 /nfs/dbraw/zinc/16/59/33/134165933.db2.gz MKPKHXAJVKVRPX-UHFFFAOYSA-N 1 2 248.326 1.793 20 30 BDEDLO CCOc1cccc(C[N@@H+](CCO)CCC#N)c1 ZINC000354026025 134165934 /nfs/dbraw/zinc/16/59/34/134165934.db2.gz MKPKHXAJVKVRPX-UHFFFAOYSA-N 1 2 248.326 1.793 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354980015 134171282 /nfs/dbraw/zinc/17/12/82/134171282.db2.gz LTHLMZMGCLPFFB-ZIAGYGMSSA-N 1 2 242.322 1.750 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000357599410 134184520 /nfs/dbraw/zinc/18/45/20/134184520.db2.gz TWDZYEGWELIZGR-UHFFFAOYSA-N 1 2 237.347 1.089 20 30 BDEDLO N#CCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000358980357 134193420 /nfs/dbraw/zinc/19/34/20/134193420.db2.gz HTMFQLIBIYXMRQ-LBPRGKRZSA-N 1 2 241.298 1.787 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363077536 134215099 /nfs/dbraw/zinc/21/50/99/134215099.db2.gz SQGHZYBCZIDKMX-LBPRGKRZSA-N 1 2 245.326 1.646 20 30 BDEDLO C=C(C)C[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000370349417 134225876 /nfs/dbraw/zinc/22/58/76/134225876.db2.gz QGWZTPCBWMDGPH-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO C=C(C)C[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000370349417 134225877 /nfs/dbraw/zinc/22/58/77/134225877.db2.gz QGWZTPCBWMDGPH-MNOVXSKESA-N 1 2 227.304 1.215 20 30 BDEDLO N#CC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000371279331 134228300 /nfs/dbraw/zinc/22/83/00/134228300.db2.gz HPIPFURHMOTIKQ-VIFPVBQESA-N 1 2 244.298 1.077 20 30 BDEDLO N#CC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000371279331 134228301 /nfs/dbraw/zinc/22/83/01/134228301.db2.gz HPIPFURHMOTIKQ-VIFPVBQESA-N 1 2 244.298 1.077 20 30 BDEDLO C[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120574937 134229779 /nfs/dbraw/zinc/22/97/79/134229779.db2.gz SDCGFHZKDGYPNC-JTQLQIEISA-N 1 2 240.266 1.514 20 30 BDEDLO C[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120575071 134229950 /nfs/dbraw/zinc/22/99/50/134229950.db2.gz SDCGFHZKDGYPNC-SNVBAGLBSA-N 1 2 240.266 1.514 20 30 BDEDLO N#CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373476619 134234382 /nfs/dbraw/zinc/23/43/82/134234382.db2.gz SGQNBCUAVPDZHN-LLVKDONJSA-N 1 2 244.298 1.080 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N(C)CCC#N ZINC000121715105 134235301 /nfs/dbraw/zinc/23/53/01/134235301.db2.gz NOAIYBDKXDDXTC-UHFFFAOYSA-N 1 2 218.260 1.767 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000374158952 134235927 /nfs/dbraw/zinc/23/59/27/134235927.db2.gz IIYMCCBOWIMNMD-VXGBXAGGSA-N 1 2 247.342 1.916 20 30 BDEDLO C#CCCCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378402273 134245914 /nfs/dbraw/zinc/24/59/14/134245914.db2.gz WDUOQXMCPUHQKN-LLVKDONJSA-N 1 2 245.326 1.577 20 30 BDEDLO C#CCCCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378402273 134245915 /nfs/dbraw/zinc/24/59/15/134245915.db2.gz WDUOQXMCPUHQKN-LLVKDONJSA-N 1 2 245.326 1.577 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000220161764 134301025 /nfs/dbraw/zinc/30/10/25/134301025.db2.gz PQMZOSHCMIPUDQ-WDEREUQCSA-N 1 2 223.320 1.159 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000220161764 134301026 /nfs/dbraw/zinc/30/10/26/134301026.db2.gz PQMZOSHCMIPUDQ-WDEREUQCSA-N 1 2 223.320 1.159 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000408110254 134394670 /nfs/dbraw/zinc/39/46/70/134394670.db2.gz MYNNKEBRTRKBNU-NSHDSACASA-N 1 2 233.315 1.033 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000408110254 134394672 /nfs/dbraw/zinc/39/46/72/134394672.db2.gz MYNNKEBRTRKBNU-NSHDSACASA-N 1 2 233.315 1.033 20 30 BDEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(C#N)cc1 ZINC000071140279 134929091 /nfs/dbraw/zinc/92/90/91/134929091.db2.gz JAURJGLOYNYDAN-UHFFFAOYSA-N 1 2 240.266 1.222 20 30 BDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)C#N)CCC2 ZINC000337623338 135021275 /nfs/dbraw/zinc/02/12/75/135021275.db2.gz IARRUIRDMUXCCK-KOLCDFICSA-N 1 2 246.314 1.345 20 30 BDEDLO Cn1nccc1CC[N@H+](CC#N)C1CCCC1 ZINC000230761130 135022132 /nfs/dbraw/zinc/02/21/32/135022132.db2.gz QPKGXWDZVRYTAD-UHFFFAOYSA-N 1 2 232.331 1.731 20 30 BDEDLO Cn1nccc1CC[N@@H+](CC#N)C1CCCC1 ZINC000230761130 135022133 /nfs/dbraw/zinc/02/21/33/135022133.db2.gz QPKGXWDZVRYTAD-UHFFFAOYSA-N 1 2 232.331 1.731 20 30 BDEDLO C=CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338208651 135030392 /nfs/dbraw/zinc/03/03/92/135030392.db2.gz RIUUOVVUWHUWOE-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339229736 135067750 /nfs/dbraw/zinc/06/77/50/135067750.db2.gz JANAKWRRLGLWHL-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339229736 135067751 /nfs/dbraw/zinc/06/77/51/135067751.db2.gz JANAKWRRLGLWHL-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000367822179 135071666 /nfs/dbraw/zinc/07/16/66/135071666.db2.gz KJSCQLPFNDPZQE-LBPRGKRZSA-N 1 2 243.372 1.299 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000367822179 135071669 /nfs/dbraw/zinc/07/16/69/135071669.db2.gz KJSCQLPFNDPZQE-LBPRGKRZSA-N 1 2 243.372 1.299 20 30 BDEDLO C=C(C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000339356392 135071996 /nfs/dbraw/zinc/07/19/96/135071996.db2.gz QNMOLRATBAYMIS-UHFFFAOYSA-N 1 2 207.277 1.295 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccnc(OC)c1 ZINC000339868213 135086590 /nfs/dbraw/zinc/08/65/90/135086590.db2.gz UULGLDPSHIGVOW-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccnc(OC)c1 ZINC000339868213 135086592 /nfs/dbraw/zinc/08/65/92/135086592.db2.gz UULGLDPSHIGVOW-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088318 135120279 /nfs/dbraw/zinc/12/02/79/135120279.db2.gz FDBAMACPATTXIL-UPJWGTAASA-N 1 2 222.332 1.916 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088318 135120280 /nfs/dbraw/zinc/12/02/80/135120280.db2.gz FDBAMACPATTXIL-UPJWGTAASA-N 1 2 222.332 1.916 20 30 BDEDLO Cc1[nH+]c2cc(NC(=O)CC#N)ccc2n1C ZINC000258681137 135133434 /nfs/dbraw/zinc/13/34/34/135133434.db2.gz KWCOHUSIUVSVJE-UHFFFAOYSA-N 1 2 228.255 1.734 20 30 BDEDLO COc1cc[nH+]c(CN(CC#N)C2CC2)c1 ZINC000264370596 135138019 /nfs/dbraw/zinc/13/80/19/135138019.db2.gz AGEQCKYPPONYFG-UHFFFAOYSA-N 1 2 217.272 1.578 20 30 BDEDLO C[C@H](CNC(=O)C(C)(C)C#N)Cn1cc[nH+]c1 ZINC000265796703 135146278 /nfs/dbraw/zinc/14/62/78/135146278.db2.gz VSUJKSLSHGHRNO-SNVBAGLBSA-N 1 2 234.303 1.185 20 30 BDEDLO CCC[N@@H+](CC#N)CCCc1nc(C)no1 ZINC000268701568 135161834 /nfs/dbraw/zinc/16/18/34/135161834.db2.gz VHTNAEGRUNQBDB-UHFFFAOYSA-N 1 2 222.292 1.546 20 30 BDEDLO CCC[N@H+](CC#N)CCCc1nc(C)no1 ZINC000268701568 135161837 /nfs/dbraw/zinc/16/18/37/135161837.db2.gz VHTNAEGRUNQBDB-UHFFFAOYSA-N 1 2 222.292 1.546 20 30 BDEDLO Cc1c(C[N@@H+](C)C[C@@H](C)C#N)cnn1C ZINC000268915324 135162982 /nfs/dbraw/zinc/16/29/82/135162982.db2.gz NQTBYMDFWCFGAI-VIFPVBQESA-N 1 2 206.293 1.320 20 30 BDEDLO Cc1c(C[N@H+](C)C[C@@H](C)C#N)cnn1C ZINC000268915324 135162983 /nfs/dbraw/zinc/16/29/83/135162983.db2.gz NQTBYMDFWCFGAI-VIFPVBQESA-N 1 2 206.293 1.320 20 30 BDEDLO N#CCC[N@@H+](Cc1ccnc(N)c1)CC1CC1 ZINC000299213743 135202690 /nfs/dbraw/zinc/20/26/90/135202690.db2.gz HTLOJOIMGFOOBP-UHFFFAOYSA-N 1 2 230.315 1.789 20 30 BDEDLO N#CCC[N@H+](Cc1ccnc(N)c1)CC1CC1 ZINC000299213743 135202692 /nfs/dbraw/zinc/20/26/92/135202692.db2.gz HTLOJOIMGFOOBP-UHFFFAOYSA-N 1 2 230.315 1.789 20 30 BDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000340819241 135229933 /nfs/dbraw/zinc/22/99/33/135229933.db2.gz LQVLIYLONUOZGV-MRVPVSSYSA-N 1 2 247.298 1.328 20 30 BDEDLO CCCN(CC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366720903 135233849 /nfs/dbraw/zinc/23/38/49/135233849.db2.gz QDGQNQUDJJEHEL-LLVKDONJSA-N 1 2 246.314 1.208 20 30 BDEDLO C[C@H]1C[N@H+](CCCSCC#N)CC[S@]1=O ZINC000342112214 135248617 /nfs/dbraw/zinc/24/86/17/135248617.db2.gz ODLNOFGNQUYFTN-ZUZCIYMTSA-N 1 2 246.401 1.086 20 30 BDEDLO C[C@H]1C[N@@H+](CCCSCC#N)CC[S@]1=O ZINC000342112214 135248618 /nfs/dbraw/zinc/24/86/18/135248618.db2.gz ODLNOFGNQUYFTN-ZUZCIYMTSA-N 1 2 246.401 1.086 20 30 BDEDLO C=CC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263142342 135335491 /nfs/dbraw/zinc/33/54/91/135335491.db2.gz CKQASPFKXLFHMQ-SNVBAGLBSA-N 1 2 244.285 1.408 20 30 BDEDLO Cn1ncc2c1nc[nH+]c2NCCCC#N ZINC000273380129 135366700 /nfs/dbraw/zinc/36/67/00/135366700.db2.gz XLWLJEMPYKTOCN-UHFFFAOYSA-N 1 2 216.248 1.079 20 30 BDEDLO C=CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000080564206 135379294 /nfs/dbraw/zinc/37/92/94/135379294.db2.gz XZWFDXQKZHSGLW-UHFFFAOYSA-N 1 2 236.319 1.524 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1nn(CC)nc1C ZINC000295530931 135686186 /nfs/dbraw/zinc/68/61/86/135686186.db2.gz WPJTZNXGIYFIGK-UHFFFAOYSA-N 1 2 214.700 1.449 20 30 BDEDLO C=CCOCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347975127 136022683 /nfs/dbraw/zinc/02/26/83/136022683.db2.gz FJLSJJMMTBQLNA-SNVBAGLBSA-N 1 2 235.287 1.276 20 30 BDEDLO COc1cc(C[NH+]2CC(OC)C2)ccc1C#N ZINC000336717629 397949586 /nfs/dbraw/zinc/94/95/86/397949586.db2.gz UPYGBVCPHANTPR-UHFFFAOYSA-N 1 2 232.283 1.397 20 30 BDEDLO C[C@H](CNc1cccc(C#N)n1)Cn1cc[nH+]c1 ZINC000270014228 397959302 /nfs/dbraw/zinc/95/93/02/397959302.db2.gz BQCJFOGEEHIYFI-LLVKDONJSA-N 1 2 241.298 1.898 20 30 BDEDLO N#CCC1C[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000597194347 398011423 /nfs/dbraw/zinc/01/14/23/398011423.db2.gz RTKJMWVBSIWNRV-UHFFFAOYSA-N 1 2 235.312 1.192 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597194677 398011582 /nfs/dbraw/zinc/01/15/82/398011582.db2.gz WZMJWKJMSQYFSE-UHFFFAOYSA-N 1 2 231.255 1.940 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000491408192 398040791 /nfs/dbraw/zinc/04/07/91/398040791.db2.gz UKPHLVQPUBMRQZ-GFCCVEGCSA-N 1 2 220.316 1.650 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000491408192 398040796 /nfs/dbraw/zinc/04/07/96/398040796.db2.gz UKPHLVQPUBMRQZ-GFCCVEGCSA-N 1 2 220.316 1.650 20 30 BDEDLO CCC[N@@H+](CC#N)CCC(=O)NC(C)C ZINC000050273104 397970477 /nfs/dbraw/zinc/97/04/77/397970477.db2.gz RTUKYDZYXVZTMS-UHFFFAOYSA-N 1 2 211.309 1.137 20 30 BDEDLO CCC[N@H+](CC#N)CCC(=O)NC(C)C ZINC000050273104 397970479 /nfs/dbraw/zinc/97/04/79/397970479.db2.gz RTUKYDZYXVZTMS-UHFFFAOYSA-N 1 2 211.309 1.137 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCCC[C@@H]1C ZINC000491787462 398069006 /nfs/dbraw/zinc/06/90/06/398069006.db2.gz QNYUQTSCZFACID-AWEZNQCLSA-N 1 2 246.354 1.346 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCCC[C@@H]1C ZINC000491787462 398069012 /nfs/dbraw/zinc/06/90/12/398069012.db2.gz QNYUQTSCZFACID-AWEZNQCLSA-N 1 2 246.354 1.346 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602604478 398077254 /nfs/dbraw/zinc/07/72/54/398077254.db2.gz QSQYJGBORLHWSU-UHFFFAOYSA-N 1 2 224.264 1.336 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602604478 398077255 /nfs/dbraw/zinc/07/72/55/398077255.db2.gz QSQYJGBORLHWSU-UHFFFAOYSA-N 1 2 224.264 1.336 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC[C@H](C)O1 ZINC000292085390 398099995 /nfs/dbraw/zinc/09/99/95/398099995.db2.gz DZLNVGFZUQUDPK-RYUDHWBXSA-N 1 2 208.305 1.956 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC[C@H](C)O1 ZINC000292085390 398099998 /nfs/dbraw/zinc/09/99/98/398099998.db2.gz DZLNVGFZUQUDPK-RYUDHWBXSA-N 1 2 208.305 1.956 20 30 BDEDLO C=CC1CC[NH+](Cc2nnnn2CCCC)CC1 ZINC000522081139 398108927 /nfs/dbraw/zinc/10/89/27/398108927.db2.gz VKXSOXKTLKCCCQ-UHFFFAOYSA-N 1 2 249.362 1.871 20 30 BDEDLO C#CCC(C)(C)C(=O)NCCCn1cc[nH+]c1 ZINC000184893799 166116131 /nfs/dbraw/zinc/11/61/31/166116131.db2.gz OTSHKLBLMJZQFM-UHFFFAOYSA-N 1 2 233.315 1.439 20 30 BDEDLO C#CCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000270520487 166135622 /nfs/dbraw/zinc/13/56/22/166135622.db2.gz CJPPXSCKUDJMLS-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO C#CCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000270520487 166135623 /nfs/dbraw/zinc/13/56/23/166135623.db2.gz CJPPXSCKUDJMLS-UHFFFAOYSA-N 1 2 240.310 1.722 20 30 BDEDLO C=CCCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661090650 410160354 /nfs/dbraw/zinc/16/03/54/410160354.db2.gz FKXBPKFUVRZNOP-JTQLQIEISA-N 1 2 236.319 1.747 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C)c1ccccc1)C1CC1 ZINC000274141899 166163385 /nfs/dbraw/zinc/16/33/85/166163385.db2.gz JXFREHCTJNDGNC-UHFFFAOYSA-N 1 2 242.322 1.747 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C)c1ccccc1)C1CC1 ZINC000274141899 166163389 /nfs/dbraw/zinc/16/33/89/166163389.db2.gz JXFREHCTJNDGNC-UHFFFAOYSA-N 1 2 242.322 1.747 20 30 BDEDLO C#C[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000276495731 166210544 /nfs/dbraw/zinc/21/05/44/166210544.db2.gz AVEBRKIUSCCZPR-MRVPVSSYSA-N 1 2 203.245 1.533 20 30 BDEDLO C=CCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000338564614 166265148 /nfs/dbraw/zinc/26/51/48/166265148.db2.gz RMLFODXVOCAWLL-UHFFFAOYSA-N 1 2 230.311 1.911 20 30 BDEDLO C=CCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000338564614 166265150 /nfs/dbraw/zinc/26/51/50/166265150.db2.gz RMLFODXVOCAWLL-UHFFFAOYSA-N 1 2 230.311 1.911 20 30 BDEDLO C=CCCOCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000270293188 166270828 /nfs/dbraw/zinc/27/08/28/166270828.db2.gz VZHQCRUFJMOHHC-UHFFFAOYSA-N 1 2 223.276 1.041 20 30 BDEDLO C=CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)C1CC1 ZINC000271329380 166326839 /nfs/dbraw/zinc/32/68/39/166326839.db2.gz AKAKCIRCMDVNMV-UHFFFAOYSA-N 1 2 248.330 1.615 20 30 BDEDLO C=CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)C1CC1 ZINC000271329380 166326842 /nfs/dbraw/zinc/32/68/42/166326842.db2.gz AKAKCIRCMDVNMV-UHFFFAOYSA-N 1 2 248.330 1.615 20 30 BDEDLO C=CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268637944 166355410 /nfs/dbraw/zinc/35/54/10/166355410.db2.gz CYCKHFXCPAWXRD-HUUCEWRRSA-N 1 2 247.338 1.997 20 30 BDEDLO C=CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268637944 166355412 /nfs/dbraw/zinc/35/54/12/166355412.db2.gz CYCKHFXCPAWXRD-HUUCEWRRSA-N 1 2 247.338 1.997 20 30 BDEDLO C=CCNC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000040295498 166374809 /nfs/dbraw/zinc/37/48/09/166374809.db2.gz OAQZQGAOTODVLC-UHFFFAOYSA-N 1 2 243.310 1.955 20 30 BDEDLO C=CCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661403129 410616440 /nfs/dbraw/zinc/61/64/40/410616440.db2.gz ZGQRTFGYWJTPHT-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO C=CCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661403129 410616444 /nfs/dbraw/zinc/61/64/44/410616444.db2.gz ZGQRTFGYWJTPHT-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000665243606 410730512 /nfs/dbraw/zinc/73/05/12/410730512.db2.gz UQIUKPZOVAKGPD-RKDXNWHRSA-N 1 2 209.318 1.991 20 30 BDEDLO COC[C@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356056597 411163329 /nfs/dbraw/zinc/16/33/29/411163329.db2.gz MPFGQPTZBYHOPG-QMMMGPOBSA-N 1 2 225.317 1.481 20 30 BDEDLO COC[C@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356056597 411163333 /nfs/dbraw/zinc/16/33/33/411163333.db2.gz MPFGQPTZBYHOPG-QMMMGPOBSA-N 1 2 225.317 1.481 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000356088904 411162544 /nfs/dbraw/zinc/16/25/44/411162544.db2.gz DCCRSROKZOQGBV-JTQLQIEISA-N 1 2 237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000356088904 411162547 /nfs/dbraw/zinc/16/25/47/411162547.db2.gz DCCRSROKZOQGBV-JTQLQIEISA-N 1 2 237.328 1.362 20 30 BDEDLO C=CCCn1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000653704749 411195373 /nfs/dbraw/zinc/19/53/73/411195373.db2.gz FTZBSPRAMQDESK-MNOVXSKESA-N 1 2 220.320 1.694 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000653704749 411195376 /nfs/dbraw/zinc/19/53/76/411195376.db2.gz FTZBSPRAMQDESK-MNOVXSKESA-N 1 2 220.320 1.694 20 30 BDEDLO C=CCC[C@@H](CC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658157786 411271078 /nfs/dbraw/zinc/27/10/78/411271078.db2.gz DWNBNFQUTJVYOY-SNVBAGLBSA-N 1 2 238.335 1.786 20 30 BDEDLO C=CCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656445365 411253296 /nfs/dbraw/zinc/25/32/96/411253296.db2.gz DKILXVXCBVBEOF-UHFFFAOYSA-N 1 2 224.333 1.013 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc(C2CCCC2)no1 ZINC000662168826 411372504 /nfs/dbraw/zinc/37/25/04/411372504.db2.gz WWHDJMVKLCGMPH-SNVBAGLBSA-N 1 2 237.303 1.364 20 30 BDEDLO CC1=CC[N@H+](CCNCc2ccc(C#N)o2)CC1 ZINC000358142236 168113426 /nfs/dbraw/zinc/11/34/26/168113426.db2.gz QLQMUIQDPUYYQX-UHFFFAOYSA-N 1 2 245.326 1.893 20 30 BDEDLO CC1=CC[N@@H+](CCNCc2ccc(C#N)o2)CC1 ZINC000358142236 168113428 /nfs/dbraw/zinc/11/34/28/168113428.db2.gz QLQMUIQDPUYYQX-UHFFFAOYSA-N 1 2 245.326 1.893 20 30 BDEDLO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324333 168294715 /nfs/dbraw/zinc/29/47/15/168294715.db2.gz YBFOIUNXEOGYJZ-QWRGUYRKSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324333 168294718 /nfs/dbraw/zinc/29/47/18/168294718.db2.gz YBFOIUNXEOGYJZ-QWRGUYRKSA-N 1 2 239.363 1.771 20 30 BDEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000654981986 411470977 /nfs/dbraw/zinc/47/09/77/411470977.db2.gz HFOUZSZPMMTYPD-JTQLQIEISA-N 1 2 233.315 1.765 20 30 BDEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000654981986 411470981 /nfs/dbraw/zinc/47/09/81/411470981.db2.gz HFOUZSZPMMTYPD-JTQLQIEISA-N 1 2 233.315 1.765 20 30 BDEDLO C=CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655020113 411479142 /nfs/dbraw/zinc/47/91/42/411479142.db2.gz LDLVMAXQDSLCTB-SNVBAGLBSA-N 1 2 221.304 1.623 20 30 BDEDLO C=CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655020113 411479143 /nfs/dbraw/zinc/47/91/43/411479143.db2.gz LDLVMAXQDSLCTB-SNVBAGLBSA-N 1 2 221.304 1.623 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361579648 170247778 /nfs/dbraw/zinc/24/77/78/170247778.db2.gz SXTFQSMQZGYLIY-SNVBAGLBSA-N 1 2 249.314 1.280 20 30 BDEDLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361579648 170247779 /nfs/dbraw/zinc/24/77/79/170247779.db2.gz SXTFQSMQZGYLIY-SNVBAGLBSA-N 1 2 249.314 1.280 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(OC)no1 ZINC000660402259 411580061 /nfs/dbraw/zinc/58/00/61/411580061.db2.gz FULRBLKAXHUNRR-UHFFFAOYSA-N 1 2 226.276 1.318 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(OC)no1 ZINC000660402259 411580063 /nfs/dbraw/zinc/58/00/63/411580063.db2.gz FULRBLKAXHUNRR-UHFFFAOYSA-N 1 2 226.276 1.318 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cnccn1 ZINC000660431473 411583519 /nfs/dbraw/zinc/58/35/19/411583519.db2.gz ZJZSVFVFNAYXHC-LLVKDONJSA-N 1 2 246.314 1.456 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cnccn1 ZINC000660431473 411583520 /nfs/dbraw/zinc/58/35/20/411583520.db2.gz ZJZSVFVFNAYXHC-LLVKDONJSA-N 1 2 246.314 1.456 20 30 BDEDLO CCC#C[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000660582846 411603035 /nfs/dbraw/zinc/60/30/35/411603035.db2.gz YIRIKBJLYWKXAN-LLVKDONJSA-N 1 2 203.289 1.501 20 30 BDEDLO C=CC[N@H+](Cc1ncccn1)[C@H](C)COC ZINC000661239417 411741054 /nfs/dbraw/zinc/74/10/54/411741054.db2.gz LSNTXIMVKPKFME-LLVKDONJSA-N 1 2 221.304 1.500 20 30 BDEDLO C=CC[N@@H+](Cc1ncccn1)[C@H](C)COC ZINC000661239417 411741058 /nfs/dbraw/zinc/74/10/58/411741058.db2.gz LSNTXIMVKPKFME-LLVKDONJSA-N 1 2 221.304 1.500 20 30 BDEDLO C=C(C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661264517 411745825 /nfs/dbraw/zinc/74/58/25/411745825.db2.gz SJVILNFWAGEYDT-JTQLQIEISA-N 1 2 236.319 1.747 20 30 BDEDLO C=CC[N@H+](Cc1nnnn1C1CC1)C(C)(C)C ZINC000661755927 411866885 /nfs/dbraw/zinc/86/68/85/411866885.db2.gz VLIRGRLSDMHZST-UHFFFAOYSA-N 1 2 235.335 1.795 20 30 BDEDLO C=CC[N@@H+](Cc1nnnn1C1CC1)C(C)(C)C ZINC000661755927 411866888 /nfs/dbraw/zinc/86/68/88/411866888.db2.gz VLIRGRLSDMHZST-UHFFFAOYSA-N 1 2 235.335 1.795 20 30 BDEDLO COCC#CC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662096781 411984805 /nfs/dbraw/zinc/98/48/05/411984805.db2.gz MJLCJGGZTYALSO-UHFFFAOYSA-N 1 2 247.294 1.236 20 30 BDEDLO COCC#CC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662096781 411984810 /nfs/dbraw/zinc/98/48/10/411984810.db2.gz MJLCJGGZTYALSO-UHFFFAOYSA-N 1 2 247.294 1.236 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000662166264 412014618 /nfs/dbraw/zinc/01/46/18/412014618.db2.gz XVJSRZHDEAUUNB-RKDXNWHRSA-N 1 2 225.292 1.391 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H](c3nnc(N)o3)C2)CC1 ZINC000602897252 411962360 /nfs/dbraw/zinc/96/23/60/411962360.db2.gz SRUNKOHBGIWGNV-SECBINFHSA-N 1 2 247.302 1.135 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)CC1 ZINC000602897252 411962364 /nfs/dbraw/zinc/96/23/64/411962364.db2.gz SRUNKOHBGIWGNV-SECBINFHSA-N 1 2 247.302 1.135 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662371304 412127307 /nfs/dbraw/zinc/12/73/07/412127307.db2.gz HUFKJXBOOFULES-GXSJLCMTSA-N 1 2 235.274 1.279 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662371304 412127309 /nfs/dbraw/zinc/12/73/09/412127309.db2.gz HUFKJXBOOFULES-GXSJLCMTSA-N 1 2 235.274 1.279 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1ncccc1C#N ZINC000058340800 172932946 /nfs/dbraw/zinc/93/29/46/172932946.db2.gz ULVHNNNUCCRAKM-UHFFFAOYSA-N 1 2 227.271 1.323 20 30 BDEDLO CN1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000269357107 173016379 /nfs/dbraw/zinc/01/63/79/173016379.db2.gz MYONJVYGROBOHU-UHFFFAOYSA-N 1 2 235.356 1.757 20 30 BDEDLO CN1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000269357107 173016382 /nfs/dbraw/zinc/01/63/82/173016382.db2.gz MYONJVYGROBOHU-UHFFFAOYSA-N 1 2 235.356 1.757 20 30 BDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000179335583 173297761 /nfs/dbraw/zinc/29/77/61/173297761.db2.gz JOMZUZJJVXSHES-LBPRGKRZSA-N 1 2 247.298 1.252 20 30 BDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000179335583 173297762 /nfs/dbraw/zinc/29/77/62/173297762.db2.gz JOMZUZJJVXSHES-LBPRGKRZSA-N 1 2 247.298 1.252 20 30 BDEDLO COC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000188798577 173580473 /nfs/dbraw/zinc/58/04/73/173580473.db2.gz GWCHQDLBMSGTGJ-JTQLQIEISA-N 1 2 232.283 1.724 20 30 BDEDLO COC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000188798577 173580475 /nfs/dbraw/zinc/58/04/75/173580475.db2.gz GWCHQDLBMSGTGJ-JTQLQIEISA-N 1 2 232.283 1.724 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H]1CCCO1 ZINC000070845912 174289094 /nfs/dbraw/zinc/28/90/94/174289094.db2.gz SWFJNRCALNNSKI-NSHDSACASA-N 1 2 212.293 1.027 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CCCO1 ZINC000070845912 174289096 /nfs/dbraw/zinc/28/90/96/174289096.db2.gz SWFJNRCALNNSKI-NSHDSACASA-N 1 2 212.293 1.027 20 30 BDEDLO COc1ccc(C[NH+]2CCOCC2)cc1C#N ZINC000087833076 175100906 /nfs/dbraw/zinc/10/09/06/175100906.db2.gz IMCPBXXZRVBGMP-UHFFFAOYSA-N 1 2 232.283 1.399 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)[C@H](C)CO1 ZINC000191243030 176301889 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BDEDLO C=CC[C@@H](CO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000893284689 583086151 /nfs/dbraw/zinc/08/61/51/583086151.db2.gz SHVNAYJJWNZLKW-WDEREUQCSA-N 1 2 243.347 1.491 20 30 BDEDLO Cc1[nH+]cc(C=NNC2CCCCC2)n1C ZINC000853336850 588734764 /nfs/dbraw/zinc/73/47/64/588734764.db2.gz PGSTVDXZGDUODL-UHFFFAOYSA-N 1 2 220.320 1.985 20 30 BDEDLO Cc1[nH+]cc(CN=Nc2ncccc2C)n1C ZINC000853339124 588734943 /nfs/dbraw/zinc/73/49/43/588734943.db2.gz XIGRYVRAWPLMSZ-UHFFFAOYSA-N 1 2 229.287 1.878 20 30 BDEDLO Cn1cc[nH+]c1NN=C1CCCn2nccc21 ZINC000853339976 588735295 /nfs/dbraw/zinc/73/52/95/588735295.db2.gz HVUUPJCHPZIARQ-UHFFFAOYSA-N 1 2 230.275 1.227 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@H](C)c2ccncc2)n1C ZINC000853360138 588738306 /nfs/dbraw/zinc/73/83/06/588738306.db2.gz WIGXJQRDQAWAQZ-SNVBAGLBSA-N 1 2 243.314 1.808 20 30 BDEDLO C=CC1CC[NH+](Cn2nc(C)oc2=O)CC1 ZINC000853494797 588746018 /nfs/dbraw/zinc/74/60/18/588746018.db2.gz OSCOYMGXKWUABO-UHFFFAOYSA-N 1 2 223.276 1.000 20 30 BDEDLO 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COC(=O)[C@@H]1[C@H](C[N@H+](C)[C@@H](C)CC#N)C1(F)F ZINC000894001208 583270918 /nfs/dbraw/zinc/27/09/18/583270918.db2.gz DZZQWFILDHZINX-CIUDSAMLSA-N 1 2 246.257 1.275 20 30 BDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](C)[C@@H](C)CC#N)C1(F)F ZINC000894001208 583270919 /nfs/dbraw/zinc/27/09/19/583270919.db2.gz DZZQWFILDHZINX-CIUDSAMLSA-N 1 2 246.257 1.275 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ocnc1C ZINC000894033425 583276612 /nfs/dbraw/zinc/27/66/12/583276612.db2.gz CRYJBCHAIIKATD-UHFFFAOYSA-N 1 2 202.257 1.442 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ocnc1C ZINC000894033425 583276613 /nfs/dbraw/zinc/27/66/13/583276613.db2.gz CRYJBCHAIIKATD-UHFFFAOYSA-N 1 2 202.257 1.442 20 30 BDEDLO COCCOc1ccc(C[NH2+]CCC#N)o1 ZINC000894081926 583294327 /nfs/dbraw/zinc/29/43/27/583294327.db2.gz JWYLSDLLTRMURR-UHFFFAOYSA-N 1 2 224.260 1.308 20 30 BDEDLO C#C[C@@H](CC)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000857191557 588892329 /nfs/dbraw/zinc/89/23/29/588892329.db2.gz PBIRLXMENWDCGK-VIFPVBQESA-N 1 2 219.288 1.215 20 30 BDEDLO C#C[C@H]1COCCN1c1cc(CC)[nH+]c(CC)n1 ZINC000894168427 583324463 /nfs/dbraw/zinc/32/44/63/583324463.db2.gz SWAOFIINIXSBSA-LBPRGKRZSA-N 1 2 245.326 1.440 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CCC1=O ZINC000857231610 588896955 /nfs/dbraw/zinc/89/69/55/588896955.db2.gz PEKOWWZOTNJJCE-UHFFFAOYSA-N 1 2 229.283 1.180 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CCC1=O ZINC000857231610 588896957 /nfs/dbraw/zinc/89/69/57/588896957.db2.gz PEKOWWZOTNJJCE-UHFFFAOYSA-N 1 2 229.283 1.180 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000894383402 583442453 /nfs/dbraw/zinc/44/24/53/583442453.db2.gz JOIMOMUPOFDJRI-LBPRGKRZSA-N 1 2 240.310 1.438 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)Cc1cccc(C#N)n1 ZINC000894586185 583489463 /nfs/dbraw/zinc/48/94/63/583489463.db2.gz BIPKOCSFTBIFHV-UHFFFAOYSA-N 1 2 227.271 1.308 20 30 BDEDLO C=CC(C)(C)NC(=O)NCc1c[nH+]cn1C ZINC000894914501 583555498 /nfs/dbraw/zinc/55/54/98/583555498.db2.gz VMPHIZUVULKVRN-UHFFFAOYSA-N 1 2 222.292 1.184 20 30 BDEDLO C#CCCCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000894971186 583561400 /nfs/dbraw/zinc/56/14/00/583561400.db2.gz AXXQBNSNRVDBEB-ZDUSSCGKSA-N 1 2 241.331 1.084 20 30 BDEDLO C=CC(C)(C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000895078887 583582169 /nfs/dbraw/zinc/58/21/69/583582169.db2.gz ZLBISCCGBISCDD-SECBINFHSA-N 1 2 234.303 1.592 20 30 BDEDLO C#CC1CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000895087028 583584551 /nfs/dbraw/zinc/58/45/51/583584551.db2.gz ZCOZBKHSMSGLAE-UHFFFAOYSA-N 1 2 217.316 1.872 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000895172469 583613173 /nfs/dbraw/zinc/61/31/73/583613173.db2.gz OPOLNVSOQYAQFE-SECBINFHSA-N 1 2 249.318 1.070 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000895172469 583613175 /nfs/dbraw/zinc/61/31/75/583613175.db2.gz OPOLNVSOQYAQFE-SECBINFHSA-N 1 2 249.318 1.070 20 30 BDEDLO C#CC[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000895191416 583621786 /nfs/dbraw/zinc/62/17/86/583621786.db2.gz PQDHYCJVOZNVOE-LLVKDONJSA-N 1 2 226.283 1.579 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nccn1C1CC1 ZINC000895471430 583680375 /nfs/dbraw/zinc/68/03/75/583680375.db2.gz PYBJNKCSMBCLSS-UHFFFAOYSA-N 1 2 247.342 1.690 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nccn1C1CC1 ZINC000895471430 583680376 /nfs/dbraw/zinc/68/03/76/583680376.db2.gz PYBJNKCSMBCLSS-UHFFFAOYSA-N 1 2 247.342 1.690 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OCC ZINC000895597755 583695496 /nfs/dbraw/zinc/69/54/96/583695496.db2.gz KXLTWXQCWTWSIM-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CC1(F)CN(Cc2cccc3[nH+]ccn32)C1 ZINC000895615987 583696735 /nfs/dbraw/zinc/69/67/35/583696735.db2.gz MSZVSPIVLUDVLB-UHFFFAOYSA-N 1 2 229.258 1.491 20 30 BDEDLO N#C[C@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000895647991 583699292 /nfs/dbraw/zinc/69/92/92/583699292.db2.gz IDEPRTSPBARQKG-SNVBAGLBSA-N 1 2 217.272 1.314 20 30 BDEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000895743400 583715957 /nfs/dbraw/zinc/71/59/57/583715957.db2.gz HFKFDSSLLKEWHX-WYUUTHIRSA-N 1 2 241.331 1.243 20 30 BDEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCOC1=O ZINC000895809044 583729920 /nfs/dbraw/zinc/72/99/20/583729920.db2.gz XXOHEEATHPFKCJ-BDAKNGLRSA-N 1 2 210.277 1.220 20 30 BDEDLO N#CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCC1 ZINC000857992394 588929720 /nfs/dbraw/zinc/92/97/20/588929720.db2.gz XBVYBDDAYGZZJE-JTQLQIEISA-N 1 2 244.298 1.528 20 30 BDEDLO C=C[C@](C)(O)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858000205 588930500 /nfs/dbraw/zinc/93/05/00/588930500.db2.gz BUTZDXHEZXHQEB-ZDUSSCGKSA-N 1 2 247.298 1.086 20 30 BDEDLO C#CCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911024 583852911 /nfs/dbraw/zinc/85/29/11/583852911.db2.gz YEJVQLNTGBZLIJ-UHFFFAOYSA-N 1 2 219.288 1.446 20 30 BDEDLO CC#CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897336034 583924712 /nfs/dbraw/zinc/92/47/12/583924712.db2.gz MNXWXKCSGYTNRX-UHFFFAOYSA-N 1 2 233.315 1.456 20 30 BDEDLO C[C@]1(C#N)C[N@H+](C[C@H]2CC=CCC2)CCO1 ZINC000897585207 584022164 /nfs/dbraw/zinc/02/21/64/584022164.db2.gz RSUVPTYNNSFSOJ-STQMWFEESA-N 1 2 220.316 1.957 20 30 BDEDLO C[C@]1(C#N)C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000897585207 584022165 /nfs/dbraw/zinc/02/21/65/584022165.db2.gz RSUVPTYNNSFSOJ-STQMWFEESA-N 1 2 220.316 1.957 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000898098636 584085280 /nfs/dbraw/zinc/08/52/80/584085280.db2.gz BMDOFDDQIRSZAI-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccs1 ZINC000730096482 584123067 /nfs/dbraw/zinc/12/30/67/584123067.db2.gz UQEAXKRTEHQNSD-LBPRGKRZSA-N 1 2 248.351 1.462 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccs1 ZINC000730096482 584123068 /nfs/dbraw/zinc/12/30/68/584123068.db2.gz UQEAXKRTEHQNSD-LBPRGKRZSA-N 1 2 248.351 1.462 20 30 BDEDLO N#CC1(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858526230 588962929 /nfs/dbraw/zinc/96/29/29/588962929.db2.gz WIQGEWLUSIDBHN-UHFFFAOYSA-N 1 2 203.245 1.290 20 30 BDEDLO CCn1c[nH+]c(/C=C2\C(=O)c3ncnn3[C@H]2C)c1 ZINC000899380803 584209480 /nfs/dbraw/zinc/20/94/80/584209480.db2.gz KZBMTQPRARKHFQ-HDPPJLHVSA-N 1 2 243.270 1.335 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000899900799 584249575 /nfs/dbraw/zinc/24/95/75/584249575.db2.gz WAGFKTFLRDOEFR-LBPRGKRZSA-N 1 2 237.274 1.437 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000899900738 584249746 /nfs/dbraw/zinc/24/97/46/584249746.db2.gz SXTFNOMGNJSLEY-GFCCVEGCSA-N 1 2 207.248 1.731 20 30 BDEDLO C=C1C[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000899900893 584250164 /nfs/dbraw/zinc/25/01/64/584250164.db2.gz XWPPCRNOVXHMHC-LBPRGKRZSA-N 1 2 207.248 1.731 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC2CC(C)C2)nn1 ZINC000900649014 584335797 /nfs/dbraw/zinc/33/57/97/584335797.db2.gz BEWKXUCFDIOULF-UHFFFAOYSA-N 1 2 232.331 1.437 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000901250917 584409660 /nfs/dbraw/zinc/40/96/60/584409660.db2.gz VPYKGYSFOCCFIR-QMMMGPOBSA-N 1 2 248.286 1.284 20 30 BDEDLO Cc1nn(C)cc1C(=O)/C=C/c1c[nH+]cn1C ZINC000901462815 584450894 /nfs/dbraw/zinc/45/08/94/584450894.db2.gz YWUIQDQLUQNWMJ-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cnn(C)c1C ZINC000901491839 584453033 /nfs/dbraw/zinc/45/30/33/584453033.db2.gz VEXZAUDRTHILJI-WAYWQWQTSA-N 1 2 244.298 1.841 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccn(C)n1 ZINC000901542288 584461057 /nfs/dbraw/zinc/46/10/57/584461057.db2.gz CLKOAGICPBUGLZ-PLNGDYQASA-N 1 2 230.271 1.533 20 30 BDEDLO C=CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(=O)[O-] ZINC000901587136 584465237 /nfs/dbraw/zinc/46/52/37/584465237.db2.gz URVQQJUZVFISHU-UHFFFAOYSA-N 1 2 248.326 1.895 20 30 BDEDLO C=CC[N@H+](CCCc1ccc(C)[nH+]c1)CC(=O)[O-] ZINC000901587136 584465238 /nfs/dbraw/zinc/46/52/38/584465238.db2.gz URVQQJUZVFISHU-UHFFFAOYSA-N 1 2 248.326 1.895 20 30 BDEDLO CCCn1cc(C(=O)/C=C/c2cn(C)c[nH+]2)nn1 ZINC000901582344 584467240 /nfs/dbraw/zinc/46/72/40/584467240.db2.gz RSRQALUBAYGRGC-SNAWJCMRSA-N 1 2 245.286 1.318 20 30 BDEDLO CC1(C#N)CC[NH+](CN2CCOC2=O)CC1 ZINC000902218071 584539839 /nfs/dbraw/zinc/53/98/39/584539839.db2.gz MPJLGKBZXISTLI-UHFFFAOYSA-N 1 2 223.276 1.022 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902244401 584546446 /nfs/dbraw/zinc/54/64/46/584546446.db2.gz TVXSUQGHPXWQLJ-LLVKDONJSA-N 1 2 228.295 1.553 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902244401 584546447 /nfs/dbraw/zinc/54/64/47/584546447.db2.gz TVXSUQGHPXWQLJ-LLVKDONJSA-N 1 2 228.295 1.553 20 30 BDEDLO Cc1cc(C#N)cc(C)c1CO[NH+]=C(N)CCO ZINC000902331884 584563112 /nfs/dbraw/zinc/56/31/12/584563112.db2.gz IHTDYBAWYIYPOQ-UHFFFAOYSA-N 1 2 247.298 1.556 20 30 BDEDLO C#CCCOC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000859055140 588994699 /nfs/dbraw/zinc/99/46/99/588994699.db2.gz DCPJUILBQHIVBM-UHFFFAOYSA-N 1 2 247.298 1.749 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](F)C1 ZINC000902990464 584709305 /nfs/dbraw/zinc/70/93/05/584709305.db2.gz CNKCBWUTSLBKOX-VHSXEESVSA-N 1 2 215.268 1.538 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](F)C1 ZINC000902990464 584709307 /nfs/dbraw/zinc/70/93/07/584709307.db2.gz CNKCBWUTSLBKOX-VHSXEESVSA-N 1 2 215.268 1.538 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000013 584715469 /nfs/dbraw/zinc/71/54/69/584715469.db2.gz CBZWBOFIZPADJV-WDEREUQCSA-N 1 2 241.310 1.181 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](F)C1 ZINC000903000013 584715471 /nfs/dbraw/zinc/71/54/71/584715471.db2.gz CBZWBOFIZPADJV-WDEREUQCSA-N 1 2 241.310 1.181 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](F)C1 ZINC000903000011 584715573 /nfs/dbraw/zinc/71/55/73/584715573.db2.gz CBZWBOFIZPADJV-QWRGUYRKSA-N 1 2 241.310 1.181 20 30 BDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](F)C1 ZINC000903000011 584715575 /nfs/dbraw/zinc/71/55/75/584715575.db2.gz CBZWBOFIZPADJV-QWRGUYRKSA-N 1 2 241.310 1.181 20 30 BDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](F)C1 ZINC000903000010 584715722 /nfs/dbraw/zinc/71/57/22/584715722.db2.gz CBZWBOFIZPADJV-MNOVXSKESA-N 1 2 241.310 1.181 20 30 BDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](F)C1 ZINC000903000010 584715723 /nfs/dbraw/zinc/71/57/23/584715723.db2.gz CBZWBOFIZPADJV-MNOVXSKESA-N 1 2 241.310 1.181 20 30 BDEDLO Cc1cc([C@H](C)[NH2+]CC(C)(C)C#N)nn1C ZINC000903101235 584727303 /nfs/dbraw/zinc/72/73/03/584727303.db2.gz DHDWBTJJTFUHGS-JTQLQIEISA-N 1 2 220.320 1.929 20 30 BDEDLO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)c2nccn21 ZINC000903105595 584727754 /nfs/dbraw/zinc/72/77/54/584727754.db2.gz FJQAWTIVZVTDHG-VHSXEESVSA-N 1 2 216.288 1.782 20 30 BDEDLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903262663 584740721 /nfs/dbraw/zinc/74/07/21/584740721.db2.gz GFVOOWAAGCRFHM-ZETCQYMHSA-N 1 2 247.327 1.897 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccnc(F)c1 ZINC000859153816 589009923 /nfs/dbraw/zinc/00/99/23/589009923.db2.gz ZFBOPQCEFHMDQU-UHFFFAOYSA-N 1 2 202.232 1.289 20 30 BDEDLO C#CCCOC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000859173126 589013197 /nfs/dbraw/zinc/01/31/97/589013197.db2.gz NZDYVVRTAYXDCO-VIFPVBQESA-N 1 2 219.244 1.077 20 30 BDEDLO C#CCCOC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000859180972 589015118 /nfs/dbraw/zinc/01/51/18/589015118.db2.gz UERJHXZYJHOBAL-SNVBAGLBSA-N 1 2 235.287 1.714 20 30 BDEDLO CC(C)c1cnc(C[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000829974987 584907976 /nfs/dbraw/zinc/90/79/76/584907976.db2.gz MYCFIEYCYNDNBL-CYBMUJFWSA-N 1 2 249.314 1.648 20 30 BDEDLO CC(C)c1cnc(C[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000829974987 584907977 /nfs/dbraw/zinc/90/79/77/584907977.db2.gz MYCFIEYCYNDNBL-CYBMUJFWSA-N 1 2 249.314 1.648 20 30 BDEDLO C#Cc1ccc(C(=O)Nc2cc[nH+]cc2C)nc1 ZINC000730565158 584912817 /nfs/dbraw/zinc/91/28/17/584912817.db2.gz PKMOPHPPWNOUDD-UHFFFAOYSA-N 1 2 237.262 1.441 20 30 BDEDLO C[C@@H](C#N)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000731908785 584931015 /nfs/dbraw/zinc/93/10/15/584931015.db2.gz VUVNEIWVYPJIMQ-QMMMGPOBSA-N 1 2 215.212 1.403 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2nonc2c1 ZINC000821386331 585016099 /nfs/dbraw/zinc/01/60/99/585016099.db2.gz KEAPLIXIBNYDHC-VIFPVBQESA-N 1 2 230.271 1.957 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000821386331 585016100 /nfs/dbraw/zinc/01/61/00/585016100.db2.gz KEAPLIXIBNYDHC-VIFPVBQESA-N 1 2 230.271 1.957 20 30 BDEDLO N#CCC[N@H+](Cc1ccco1)C[C@H](O)C1CC1 ZINC000838866597 585076437 /nfs/dbraw/zinc/07/64/37/585076437.db2.gz XVIFYAYAINIAAV-ZDUSSCGKSA-N 1 2 234.299 1.766 20 30 BDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H](O)C1CC1 ZINC000838866597 585076438 /nfs/dbraw/zinc/07/64/38/585076438.db2.gz XVIFYAYAINIAAV-ZDUSSCGKSA-N 1 2 234.299 1.766 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cc(COC)on1 ZINC000838989069 585084812 /nfs/dbraw/zinc/08/48/12/585084812.db2.gz PKCJCJNQTCJCBQ-UHFFFAOYSA-N 1 2 216.668 1.663 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C(=O)OC ZINC000839167084 585095367 /nfs/dbraw/zinc/09/53/67/585095367.db2.gz CJQSYEWWWHVEFG-DCAQKATOSA-N 1 2 211.305 1.576 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)OC ZINC000839166817 585095436 /nfs/dbraw/zinc/09/54/36/585095436.db2.gz ARUVHFYPLWPBRK-MWLCHTKSSA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCSCC1)C(=O)OC ZINC000839169542 585096047 /nfs/dbraw/zinc/09/60/47/585096047.db2.gz SYOYFPXQDZPNTP-JTQLQIEISA-N 1 2 227.329 1.037 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H](C)CC=C)C(=O)OC ZINC000839170148 585096126 /nfs/dbraw/zinc/09/61/26/585096126.db2.gz YFGDUTLEKPNJLF-WOPDTQHZSA-N 1 2 223.316 1.742 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OC ZINC000839170289 585096242 /nfs/dbraw/zinc/09/62/42/585096242.db2.gz YIMLLMWHEYRPPV-NEPJUHHUSA-N 1 2 221.300 1.640 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)CC1(C)COC1 ZINC000743840906 585140521 /nfs/dbraw/zinc/14/05/21/585140521.db2.gz LTLTXJYJYWNZRX-UHFFFAOYSA-N 1 2 227.304 1.074 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)CC1(C)COC1 ZINC000743840906 585140522 /nfs/dbraw/zinc/14/05/22/585140522.db2.gz LTLTXJYJYWNZRX-UHFFFAOYSA-N 1 2 227.304 1.074 20 30 BDEDLO C=CCCO[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000747783863 585184317 /nfs/dbraw/zinc/18/43/17/585184317.db2.gz PSAPALCRMLEJDG-SNVBAGLBSA-N 1 2 238.287 1.445 20 30 BDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@@H+]1C ZINC000749540176 585203827 /nfs/dbraw/zinc/20/38/27/585203827.db2.gz LRJLBVLQTISZRF-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)CC[N@H+]1C ZINC000749540176 585203828 /nfs/dbraw/zinc/20/38/28/585203828.db2.gz LRJLBVLQTISZRF-SECBINFHSA-N 1 2 249.339 1.396 20 30 BDEDLO C=CCOCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749982876 585209004 /nfs/dbraw/zinc/20/90/04/585209004.db2.gz CDUJDRHFBFALHS-UHFFFAOYSA-N 1 2 249.314 1.597 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H]1COc2ccccc2O1 ZINC000752077062 585241438 /nfs/dbraw/zinc/24/14/38/585241438.db2.gz YZHSYFYDQJJFPS-ZDUSSCGKSA-N 1 2 241.290 1.395 20 30 BDEDLO C[C@H](C#N)C[N@H+](CCN1CCOC1=O)C1CC1 ZINC000754370548 585283193 /nfs/dbraw/zinc/28/31/93/585283193.db2.gz CZYDTXHMHQYKOA-SNVBAGLBSA-N 1 2 237.303 1.063 20 30 BDEDLO C[C@H](C#N)C[N@@H+](CCN1CCOC1=O)C1CC1 ZINC000754370548 585283194 /nfs/dbraw/zinc/28/31/94/585283194.db2.gz CZYDTXHMHQYKOA-SNVBAGLBSA-N 1 2 237.303 1.063 20 30 BDEDLO CN(CCC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000754440719 585284752 /nfs/dbraw/zinc/28/47/52/585284752.db2.gz HRHUQEKPKWIWKO-UHFFFAOYSA-N 1 2 243.270 1.712 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000755461308 585300081 /nfs/dbraw/zinc/30/00/81/585300081.db2.gz BNXKBHBYSGSTFE-UHFFFAOYSA-N 1 2 245.242 1.774 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1cc(C)nc(C)n1 ZINC000755648786 585303155 /nfs/dbraw/zinc/30/31/55/585303155.db2.gz PEFRVDIXHLMHLT-UHFFFAOYSA-N 1 2 230.275 1.571 20 30 BDEDLO COCCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000755759426 585305898 /nfs/dbraw/zinc/30/58/98/585305898.db2.gz XYCCMAVVMXHMFT-UHFFFAOYSA-N 1 2 229.305 1.206 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000839594293 585331386 /nfs/dbraw/zinc/33/13/86/585331386.db2.gz OKWSRRPWJQNGRY-IUCAKERBSA-N 1 2 218.247 1.645 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](C(F)F)C1 ZINC000839594293 585331387 /nfs/dbraw/zinc/33/13/87/585331387.db2.gz OKWSRRPWJQNGRY-IUCAKERBSA-N 1 2 218.247 1.645 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000839658709 585333587 /nfs/dbraw/zinc/33/35/87/585333587.db2.gz GTVLRVGFEKIRRM-SECBINFHSA-N 1 2 226.711 1.655 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000839658709 585333588 /nfs/dbraw/zinc/33/35/88/585333588.db2.gz GTVLRVGFEKIRRM-SECBINFHSA-N 1 2 226.711 1.655 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000839658709 585333589 /nfs/dbraw/zinc/33/35/89/585333589.db2.gz GTVLRVGFEKIRRM-SECBINFHSA-N 1 2 226.711 1.655 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000839658709 585333590 /nfs/dbraw/zinc/33/35/90/585333590.db2.gz GTVLRVGFEKIRRM-SECBINFHSA-N 1 2 226.711 1.655 20 30 BDEDLO CC[N@H+](CC(=O)NCCC#N)Cc1occc1C ZINC000839660227 585334306 /nfs/dbraw/zinc/33/43/06/585334306.db2.gz CWIIXWGXKLOXAG-UHFFFAOYSA-N 1 2 249.314 1.440 20 30 BDEDLO CC[N@@H+](CC(=O)NCCC#N)Cc1occc1C ZINC000839660227 585334307 /nfs/dbraw/zinc/33/43/07/585334307.db2.gz CWIIXWGXKLOXAG-UHFFFAOYSA-N 1 2 249.314 1.440 20 30 BDEDLO C=CC[N@H+](Cn1cccc(C#N)c1=O)C(C)C ZINC000758194623 585351645 /nfs/dbraw/zinc/35/16/45/585351645.db2.gz ZNUDPFWETYCKRY-UHFFFAOYSA-N 1 2 231.299 1.574 20 30 BDEDLO C=CC[N@@H+](Cn1cccc(C#N)c1=O)C(C)C ZINC000758194623 585351646 /nfs/dbraw/zinc/35/16/46/585351646.db2.gz ZNUDPFWETYCKRY-UHFFFAOYSA-N 1 2 231.299 1.574 20 30 BDEDLO C[C@H]1CSCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758223251 585352064 /nfs/dbraw/zinc/35/20/64/585352064.db2.gz MVBJLQTXBBISAS-JTQLQIEISA-N 1 2 249.339 1.115 20 30 BDEDLO C[C@H]1CSCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758223251 585352065 /nfs/dbraw/zinc/35/20/65/585352065.db2.gz MVBJLQTXBBISAS-JTQLQIEISA-N 1 2 249.339 1.115 20 30 BDEDLO CC[C@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000758952368 585363009 /nfs/dbraw/zinc/36/30/09/585363009.db2.gz FFZJMOUOHPSANX-SECBINFHSA-N 1 2 228.255 1.366 20 30 BDEDLO N#Cc1ccc(O)c(NC(=O)Cn2cc[nH+]c2)c1 ZINC000759720344 585379294 /nfs/dbraw/zinc/37/92/94/585379294.db2.gz ADBMYVMZSBRJGC-UHFFFAOYSA-N 1 2 242.238 1.099 20 30 BDEDLO C[C@H]1C[C@@H]1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854857 585420716 /nfs/dbraw/zinc/42/07/16/585420716.db2.gz IDSYTUTVEFFKIO-VHSXEESVSA-N 1 2 242.286 1.716 20 30 BDEDLO C#CCCc1noc(C[N@H+](CC)C2CC2)n1 ZINC000762010775 585423686 /nfs/dbraw/zinc/42/36/86/585423686.db2.gz QHGLVZGCELQTJO-UHFFFAOYSA-N 1 2 219.288 1.620 20 30 BDEDLO C#CCCc1noc(C[N@@H+](CC)C2CC2)n1 ZINC000762010775 585423685 /nfs/dbraw/zinc/42/36/85/585423685.db2.gz QHGLVZGCELQTJO-UHFFFAOYSA-N 1 2 219.288 1.620 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763672747 585452138 /nfs/dbraw/zinc/45/21/38/585452138.db2.gz AYMNZCWIPGDCAM-NXEZZACHSA-N 1 2 222.288 1.174 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763672747 585452139 /nfs/dbraw/zinc/45/21/39/585452139.db2.gz AYMNZCWIPGDCAM-NXEZZACHSA-N 1 2 222.288 1.174 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739385 585453591 /nfs/dbraw/zinc/45/35/91/585453591.db2.gz VNJWVEGHTKOUJE-CMPLNLGQSA-N 1 2 248.326 1.706 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000763739385 585453592 /nfs/dbraw/zinc/45/35/92/585453592.db2.gz VNJWVEGHTKOUJE-CMPLNLGQSA-N 1 2 248.326 1.706 20 30 BDEDLO Cc1ccc(N[NH+]=Cc2cccnc2N)nn1 ZINC000764686309 585470853 /nfs/dbraw/zinc/47/08/53/585470853.db2.gz GHQXWRUNZNDKCD-UHFFFAOYSA-N 1 2 228.259 1.208 20 30 BDEDLO Nc1[nH+]cccc1CN=Nc1nccnc1Cl ZINC000764692774 585471278 /nfs/dbraw/zinc/47/12/78/585471278.db2.gz QYTMSSAKOBROJE-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO CO[NH+]=Cc1sc(N(C)C)nc1OC ZINC000767490603 585521059 /nfs/dbraw/zinc/52/10/59/585521059.db2.gz NXLAFZKRGZWNJM-UHFFFAOYSA-N 1 2 215.278 1.198 20 30 BDEDLO C=C(Cl)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000767939111 585528366 /nfs/dbraw/zinc/52/83/66/585528366.db2.gz RZMUPCLIDWWQFX-UHFFFAOYSA-N 1 2 239.706 1.994 20 30 BDEDLO C#C[C@@H](CC)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000768046209 585530447 /nfs/dbraw/zinc/53/04/47/585530447.db2.gz FFRJSXJFJJPHLD-LBPRGKRZSA-N 1 2 242.278 1.832 20 30 BDEDLO CC(C)C[N@H+](CCC#N)Cc1ccnn1C ZINC000768155357 585532490 /nfs/dbraw/zinc/53/24/90/585532490.db2.gz ZRZFKYKVOUBPMY-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)Cc1ccnn1C ZINC000768155357 585532491 /nfs/dbraw/zinc/53/24/91/585532491.db2.gz ZRZFKYKVOUBPMY-UHFFFAOYSA-N 1 2 220.320 1.792 20 30 BDEDLO C#CC[NH+](CC#C)Cc1nn(C)c2ccccc21 ZINC000769443295 585556508 /nfs/dbraw/zinc/55/65/08/585556508.db2.gz UPSKWKQUGHKCLC-UHFFFAOYSA-N 1 2 237.306 1.642 20 30 BDEDLO N#Cc1cccn(C[N@@H+]2CCCC3(CC3)C2)c1=O ZINC000769798374 585563900 /nfs/dbraw/zinc/56/39/00/585563900.db2.gz AOJXMMIPCJBYAZ-UHFFFAOYSA-N 1 2 243.310 1.553 20 30 BDEDLO N#Cc1cccn(C[N@H+]2CCCC3(CC3)C2)c1=O ZINC000769798374 585563901 /nfs/dbraw/zinc/56/39/01/585563901.db2.gz AOJXMMIPCJBYAZ-UHFFFAOYSA-N 1 2 243.310 1.553 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000769975834 585568461 /nfs/dbraw/zinc/56/84/61/585568461.db2.gz MPTNBBRNADWNDN-SNVBAGLBSA-N 1 2 241.294 1.789 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000769975834 585568462 /nfs/dbraw/zinc/56/84/62/585568462.db2.gz MPTNBBRNADWNDN-SNVBAGLBSA-N 1 2 241.294 1.789 20 30 BDEDLO N#CC1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000771967545 585605800 /nfs/dbraw/zinc/60/58/00/585605800.db2.gz GEMYKIPNJLYHPP-UHFFFAOYSA-N 1 2 219.244 1.120 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C(C)=C/C(C)(C)C)CC1 ZINC000771965474 585605803 /nfs/dbraw/zinc/60/58/03/585605803.db2.gz GRQBTRYIIPFPDO-OUKQBFOZSA-N 1 2 248.370 1.756 20 30 BDEDLO CC(C)c1nccnc1N=NCc1c[nH+]cn1C ZINC000773079189 585630856 /nfs/dbraw/zinc/63/08/56/585630856.db2.gz VQFGGWNGORXSPS-UHFFFAOYSA-N 1 2 244.302 1.780 20 30 BDEDLO C#CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000774167732 585652529 /nfs/dbraw/zinc/65/25/29/585652529.db2.gz JWZOZXIBHYYHAC-UHFFFAOYSA-N 1 2 225.251 1.122 20 30 BDEDLO Cc1ccc(CCC=NN2CN=NC2=O)c[nH+]1 ZINC000774396570 585657239 /nfs/dbraw/zinc/65/72/39/585657239.db2.gz QGNPLXHEWDAOMU-UHFFFAOYSA-N 1 2 231.259 1.154 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCO1 ZINC000775343242 585676188 /nfs/dbraw/zinc/67/61/88/585676188.db2.gz VPHJARCTSNLKHO-GJZGRUSLSA-N 1 2 240.306 1.829 20 30 BDEDLO C=C(Cl)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000775561335 585679602 /nfs/dbraw/zinc/67/96/02/585679602.db2.gz OVHNNJFQYQQAOW-UHFFFAOYSA-N 1 2 230.739 1.682 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000775561335 585679603 /nfs/dbraw/zinc/67/96/03/585679603.db2.gz OVHNNJFQYQQAOW-UHFFFAOYSA-N 1 2 230.739 1.682 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000776467341 585698956 /nfs/dbraw/zinc/69/89/56/585698956.db2.gz SWVUIHOQMDTRDX-CHWSQXEVSA-N 1 2 234.343 1.200 20 30 BDEDLO C=CC[N@@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000777547595 585714835 /nfs/dbraw/zinc/71/48/35/585714835.db2.gz FGJQFGXUWVLAMZ-UHFFFAOYSA-N 1 2 238.331 1.091 20 30 BDEDLO C=CC[N@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000777547595 585714836 /nfs/dbraw/zinc/71/48/36/585714836.db2.gz FGJQFGXUWVLAMZ-UHFFFAOYSA-N 1 2 238.331 1.091 20 30 BDEDLO N#Cc1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000779429655 585754903 /nfs/dbraw/zinc/75/49/03/585754903.db2.gz VJNIHZXFFNGWNU-SNVBAGLBSA-N 1 2 240.270 1.413 20 30 BDEDLO N#CCc1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000780125528 585772733 /nfs/dbraw/zinc/77/27/33/585772733.db2.gz LSFYXSJOHWLYHF-UHFFFAOYSA-N 1 2 233.271 1.134 20 30 BDEDLO C#CCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000780134928 585772950 /nfs/dbraw/zinc/77/29/50/585772950.db2.gz IBEPFWGYXXKVBR-UHFFFAOYSA-N 1 2 236.246 1.726 20 30 BDEDLO Cn1c[nH+]cc1C=NN[C@H]1CCOC(C)(C)C1 ZINC000780241139 585774412 /nfs/dbraw/zinc/77/44/12/585774412.db2.gz MCXYLTKXJDJQJH-JTQLQIEISA-N 1 2 236.319 1.301 20 30 BDEDLO C#CCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000780319701 585777834 /nfs/dbraw/zinc/77/78/34/585777834.db2.gz ZHGRAGUSKSYKOW-AWEZNQCLSA-N 1 2 245.322 1.774 20 30 BDEDLO CCCOC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000780337067 585777974 /nfs/dbraw/zinc/77/79/74/585777974.db2.gz VKNBTSUDBJRDFL-NSHDSACASA-N 1 2 238.331 1.954 20 30 BDEDLO C#CCCCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000780493761 585779642 /nfs/dbraw/zinc/77/96/42/585779642.db2.gz DHWMQVCHJDEJGM-UHFFFAOYSA-N 1 2 233.315 1.952 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2ccc(F)cn2)cn1 ZINC000781593065 585799886 /nfs/dbraw/zinc/79/98/86/585799886.db2.gz ONZVJUSHSJEUQX-UHFFFAOYSA-N 1 2 232.222 1.039 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN1Cc2ccccc2C1=O ZINC000781598430 585800032 /nfs/dbraw/zinc/80/00/32/585800032.db2.gz DRACPTMCEOWYHS-UHFFFAOYSA-N 1 2 240.266 1.708 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)O[C@H](C#N)COC ZINC000785178385 585871566 /nfs/dbraw/zinc/87/15/66/585871566.db2.gz XFXXMNAJUCHCDF-SECBINFHSA-N 1 2 249.270 1.127 20 30 BDEDLO C=CCC[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000786100620 585887025 /nfs/dbraw/zinc/88/70/25/585887025.db2.gz CQPAISCPFWSWHR-UHFFFAOYSA-N 1 2 210.237 1.257 20 30 BDEDLO C=CCC[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000786100620 585887026 /nfs/dbraw/zinc/88/70/26/585887026.db2.gz CQPAISCPFWSWHR-UHFFFAOYSA-N 1 2 210.237 1.257 20 30 BDEDLO CC1(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000787178838 585902542 /nfs/dbraw/zinc/90/25/42/585902542.db2.gz PKAFQBBYLYLYAT-LBPRGKRZSA-N 1 2 219.332 1.459 20 30 BDEDLO CC1(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000787178838 585902543 /nfs/dbraw/zinc/90/25/43/585902543.db2.gz PKAFQBBYLYLYAT-LBPRGKRZSA-N 1 2 219.332 1.459 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncnn1C(C)C)[C@@H]1CCCO1 ZINC000789306532 585939456 /nfs/dbraw/zinc/93/94/56/585939456.db2.gz JWAGDGXZMKILQV-RYUDHWBXSA-N 1 2 248.330 1.129 20 30 BDEDLO CC(N=Nc1ccncc1Cl)c1[nH]cc[nH+]1 ZINC000790168044 585959229 /nfs/dbraw/zinc/95/92/29/585959229.db2.gz YXTGJBRXFBLWPH-UHFFFAOYSA-N 1 2 235.678 1.716 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c[nH]nc2c1 ZINC000790300486 585962789 /nfs/dbraw/zinc/96/27/89/585962789.db2.gz UMGQOMAVLFLVFK-UHFFFAOYSA-N 1 2 240.270 1.742 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(O)c(F)c1 ZINC000790300456 585962834 /nfs/dbraw/zinc/96/28/34/585962834.db2.gz UAYOCOKIQPJWPN-UHFFFAOYSA-N 1 2 234.234 1.711 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccccc1O ZINC000790306232 585963230 /nfs/dbraw/zinc/96/32/30/585963230.db2.gz SXQCTDHJTTYFFE-UHFFFAOYSA-N 1 2 216.244 1.572 20 30 BDEDLO Cc1nc(F)ccc1C=NNc1[nH+]ccn1C ZINC000790306283 585963428 /nfs/dbraw/zinc/96/34/28/585963428.db2.gz VXWFZLAKWWZUSA-UHFFFAOYSA-N 1 2 233.250 1.709 20 30 BDEDLO N#Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)[nH]1 ZINC000792201421 585997762 /nfs/dbraw/zinc/99/77/62/585997762.db2.gz KURRNJJAUGKBIA-UHFFFAOYSA-N 1 2 242.238 1.221 20 30 BDEDLO CC[C@H]1CC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000793807509 586026718 /nfs/dbraw/zinc/02/67/18/586026718.db2.gz AQYZUTRMPRDACQ-NSHDSACASA-N 1 2 217.272 1.162 20 30 BDEDLO CC[C@H]1CC[N@H+]1Cn1cccc(C#N)c1=O ZINC000793807509 586026719 /nfs/dbraw/zinc/02/67/19/586026719.db2.gz AQYZUTRMPRDACQ-NSHDSACASA-N 1 2 217.272 1.162 20 30 BDEDLO c1[nH+]c2ccccn2c1CN=Nc1cncnc1 ZINC000794976635 586060839 /nfs/dbraw/zinc/06/08/39/586060839.db2.gz NZVGDPATJKOZSG-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO C=CCNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000794992556 586062344 /nfs/dbraw/zinc/06/23/44/586062344.db2.gz DCPXKXMAKXENKJ-UHFFFAOYSA-N 1 2 226.283 1.982 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000798421267 586143606 /nfs/dbraw/zinc/14/36/06/586143606.db2.gz LOLDFZPBGKQVAQ-GFCCVEGCSA-N 1 2 245.326 1.849 20 30 BDEDLO CC1(C)CCC[C@H]1[NH2+]NC1=CC(=O)N2CCC[C@@H]12 ZINC000799487356 586180184 /nfs/dbraw/zinc/18/01/84/586180184.db2.gz LAZKKIKFAXPLPY-NWDGAFQWSA-N 1 2 249.358 1.905 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000800383791 586214026 /nfs/dbraw/zinc/21/40/26/586214026.db2.gz CZWWWAIYJQFZBT-AAEUAGOBSA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000800383791 586214028 /nfs/dbraw/zinc/21/40/28/586214028.db2.gz CZWWWAIYJQFZBT-AAEUAGOBSA-N 1 2 246.310 1.599 20 30 BDEDLO Cc1cc(C[N@H+](C)CCO[C@H](C)C#N)no1 ZINC000801915947 586276560 /nfs/dbraw/zinc/27/65/60/586276560.db2.gz YKOCWALVIQVZOY-SNVBAGLBSA-N 1 2 223.276 1.344 20 30 BDEDLO Cc1cc(C[N@@H+](C)CCO[C@H](C)C#N)no1 ZINC000801915947 586276559 /nfs/dbraw/zinc/27/65/59/586276559.db2.gz YKOCWALVIQVZOY-SNVBAGLBSA-N 1 2 223.276 1.344 20 30 BDEDLO C[C@H]1CN(C[NH+]2CCC(C)(C#N)CC2)C(=O)[C@@H]1C ZINC000840041783 586393915 /nfs/dbraw/zinc/39/39/15/586393915.db2.gz MBUQMDALRILHCO-NWDGAFQWSA-N 1 2 249.358 1.684 20 30 BDEDLO Cc1cccnc1N[NH+]=Cc1ccc(N)nc1 ZINC000807984207 586455000 /nfs/dbraw/zinc/45/50/00/586455000.db2.gz IXMSALICMPDOGD-UHFFFAOYSA-N 1 2 227.271 1.813 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@@H]1CCSC1 ZINC000808003678 586455434 /nfs/dbraw/zinc/45/54/34/586455434.db2.gz SGLDLZOORTXAGK-MRVPVSSYSA-N 1 2 210.306 1.147 20 30 BDEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000808150361 586464869 /nfs/dbraw/zinc/46/48/69/586464869.db2.gz XUDUZFJDDSWUMR-CQSZACIVSA-N 1 2 249.358 1.828 20 30 BDEDLO C#C[C@@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810231100 586537449 /nfs/dbraw/zinc/53/74/49/586537449.db2.gz SNWAXQGKOBGKCT-SECBINFHSA-N 1 2 228.255 1.478 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)c1cccc(C#N)n1 ZINC000810602158 586542294 /nfs/dbraw/zinc/54/22/94/586542294.db2.gz MOJDJCKHIXCLIK-UHFFFAOYSA-N 1 2 242.238 1.044 20 30 BDEDLO C#CCC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000810697578 586544726 /nfs/dbraw/zinc/54/47/26/586544726.db2.gz HFVHJZRFMYKYPM-UHFFFAOYSA-N 1 2 234.299 1.555 20 30 BDEDLO COc1cccc(N[NH+]=Cc2cn(C)[nH]c2=O)c1 ZINC000814217124 586618101 /nfs/dbraw/zinc/61/81/01/586618101.db2.gz SFPBLGOZQBUKBS-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO COc1cccc(N[NH+]=Cc2cnn(C)c2N)c1 ZINC000814776907 586633167 /nfs/dbraw/zinc/63/31/67/586633167.db2.gz HVMQAALGPRKKPY-UHFFFAOYSA-N 1 2 245.286 1.457 20 30 BDEDLO C=CCC(F)(F)C(=O)N(C)Cc1[nH+]ccn1C ZINC000814795925 586634518 /nfs/dbraw/zinc/63/45/18/586634518.db2.gz JQRMJCSGSXJDFS-UHFFFAOYSA-N 1 2 243.257 1.590 20 30 BDEDLO C(=NNc1cc[nH+]c2ccccc12)c1cncnc1 ZINC000814841957 586638218 /nfs/dbraw/zinc/63/82/18/586638218.db2.gz ZXXVTJHTOGAJCP-UHFFFAOYSA-N 1 2 249.277 1.893 20 30 BDEDLO COCCC(C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000814886148 586643078 /nfs/dbraw/zinc/64/30/78/586643078.db2.gz STIUSNQFZSFMDS-GHMZBOCLSA-N 1 2 238.335 1.259 20 30 BDEDLO CC(=[NH+]Nc1cnn(C)c1)c1cc(N)ccc1F ZINC000814915532 586650075 /nfs/dbraw/zinc/65/00/75/586650075.db2.gz YSWUCWINJHINRM-UHFFFAOYSA-N 1 2 247.277 1.978 20 30 BDEDLO CC1(C)CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C#N ZINC000816973994 586775710 /nfs/dbraw/zinc/77/57/10/586775710.db2.gz NVQJTBGMIRZJBY-JTQLQIEISA-N 1 2 246.314 1.493 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@@H]1CCC[C@H]1O ZINC000819812514 586997374 /nfs/dbraw/zinc/99/73/74/586997374.db2.gz CYUKHSQVXKZJQM-VXGBXAGGSA-N 1 2 236.319 1.301 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN(C)C[C@H](C)O ZINC000819814079 586997860 /nfs/dbraw/zinc/99/78/60/586997860.db2.gz WQSOFRCAXWKBHB-JTQLQIEISA-N 1 2 224.308 1.111 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN(C)C[C@@H](C)O ZINC000819814082 586997998 /nfs/dbraw/zinc/99/79/98/586997998.db2.gz WQSOFRCAXWKBHB-SNVBAGLBSA-N 1 2 224.308 1.111 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000820427281 587048176 /nfs/dbraw/zinc/04/81/76/587048176.db2.gz FXGRIRHNODCSKM-JTQLQIEISA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000820427281 587048177 /nfs/dbraw/zinc/04/81/77/587048177.db2.gz FXGRIRHNODCSKM-JTQLQIEISA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000820427282 587048200 /nfs/dbraw/zinc/04/82/00/587048200.db2.gz FXGRIRHNODCSKM-SNVBAGLBSA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000820427282 587048201 /nfs/dbraw/zinc/04/82/01/587048201.db2.gz FXGRIRHNODCSKM-SNVBAGLBSA-N 1 2 246.314 1.320 20 30 BDEDLO C#C[C@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000820434834 587048622 /nfs/dbraw/zinc/04/86/22/587048622.db2.gz ALJDAFSNNFWCEO-NWDGAFQWSA-N 1 2 246.314 1.251 20 30 BDEDLO C#CCCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000820838403 587075752 /nfs/dbraw/zinc/07/57/52/587075752.db2.gz YAZMUJQTVIAXLY-UHFFFAOYSA-N 1 2 233.315 1.434 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H]1SC)C(=O)OC ZINC000822489329 587171512 /nfs/dbraw/zinc/17/15/12/587171512.db2.gz AHIVNALNGSYUGG-LPEHRKFASA-N 1 2 227.329 1.035 20 30 BDEDLO CO[C@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000822622121 587177924 /nfs/dbraw/zinc/17/79/24/587177924.db2.gz STXRUDRRAANGME-UONOGXRCSA-N 1 2 249.358 1.084 20 30 BDEDLO CO[C@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000822622121 587177926 /nfs/dbraw/zinc/17/79/26/587177926.db2.gz STXRUDRRAANGME-UONOGXRCSA-N 1 2 249.358 1.084 20 30 BDEDLO C#C[C@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)C(C)C ZINC000822666545 587179612 /nfs/dbraw/zinc/17/96/12/587179612.db2.gz JKLPPRJEJRBJPM-NSHDSACASA-N 1 2 233.315 1.289 20 30 BDEDLO COc1nccc(C[N@H+](CCC#N)CC(C)C)n1 ZINC000823382736 587218808 /nfs/dbraw/zinc/21/88/08/587218808.db2.gz QMJBWLITCGFNMM-UHFFFAOYSA-N 1 2 248.330 1.857 20 30 BDEDLO COc1nccc(C[N@@H+](CCC#N)CC(C)C)n1 ZINC000823382736 587218809 /nfs/dbraw/zinc/21/88/09/587218809.db2.gz QMJBWLITCGFNMM-UHFFFAOYSA-N 1 2 248.330 1.857 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](O)CCC ZINC000827515987 587385702 /nfs/dbraw/zinc/38/57/02/587385702.db2.gz LCAJMGHXTYHFJR-NSHDSACASA-N 1 2 229.320 1.199 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NCc1[nH]cc(C)[nH+]1 ZINC000827582505 587389699 /nfs/dbraw/zinc/38/96/99/587389699.db2.gz NJVCYXWEUKBSRM-JTQLQIEISA-N 1 2 221.304 1.937 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000828208534 587424050 /nfs/dbraw/zinc/42/40/50/587424050.db2.gz KVKOEZKXMOQFJB-QMMMGPOBSA-N 1 2 239.706 1.383 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000828208534 587424051 /nfs/dbraw/zinc/42/40/51/587424051.db2.gz KVKOEZKXMOQFJB-QMMMGPOBSA-N 1 2 239.706 1.383 20 30 BDEDLO CC(C)C#CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000829806174 587517931 /nfs/dbraw/zinc/51/79/31/587517931.db2.gz HPVRWBYWBYTRPG-UHFFFAOYSA-N 1 2 245.326 1.775 20 30 BDEDLO CC(C)C#CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000829806174 587517932 /nfs/dbraw/zinc/51/79/32/587517932.db2.gz HPVRWBYWBYTRPG-UHFFFAOYSA-N 1 2 245.326 1.775 20 30 BDEDLO C#CC1CC[NH+](Cc2nnnn2C(C)(C)C)CC1 ZINC000830345930 587547133 /nfs/dbraw/zinc/54/71/33/587547133.db2.gz ZLDVYLZSHQUEKL-UHFFFAOYSA-N 1 2 247.346 1.273 20 30 BDEDLO C#C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C(C)C ZINC000836441415 587833407 /nfs/dbraw/zinc/83/34/07/587833407.db2.gz HADVLADIARPYAA-MNOVXSKESA-N 1 2 246.314 1.285 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836442162 587833508 /nfs/dbraw/zinc/83/35/08/587833508.db2.gz SYFHJACHKHTEHV-MNOVXSKESA-N 1 2 248.330 1.982 20 30 BDEDLO C=CCCCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000837548081 587881478 /nfs/dbraw/zinc/88/14/78/587881478.db2.gz WOCUDLYCJKEFFT-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CCCCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000837548081 587881479 /nfs/dbraw/zinc/88/14/79/587881479.db2.gz WOCUDLYCJKEFFT-GFCCVEGCSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CC(C)(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000837862103 587900065 /nfs/dbraw/zinc/90/00/65/587900065.db2.gz LUQLSSJEPYCQIL-NSHDSACASA-N 1 2 241.331 1.463 20 30 BDEDLO C=CC(C)(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000837862103 587900066 /nfs/dbraw/zinc/90/00/66/587900066.db2.gz LUQLSSJEPYCQIL-NSHDSACASA-N 1 2 241.331 1.463 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000121488028 587930773 /nfs/dbraw/zinc/93/07/73/587930773.db2.gz SFEDQNVXUCOLTG-UHFFFAOYSA-N 1 2 219.284 1.848 20 30 BDEDLO C=CC[N@H+](C)CC(=O)OCc1ccccc1 ZINC000121488028 587930775 /nfs/dbraw/zinc/93/07/75/587930775.db2.gz SFEDQNVXUCOLTG-UHFFFAOYSA-N 1 2 219.284 1.848 20 30 BDEDLO CCn1c[nH+]cc1CN=Nc1nc(C)cc(C)n1 ZINC000841602483 587959322 /nfs/dbraw/zinc/95/93/22/587959322.db2.gz OSOOYGKZPMVPMA-UHFFFAOYSA-N 1 2 244.302 1.756 20 30 BDEDLO CCN(CCO)N=Cc1c[nH+]cn1C(C)C ZINC000842537466 588036167 /nfs/dbraw/zinc/03/61/67/588036167.db2.gz BIXXTTJCEHNADI-UHFFFAOYSA-N 1 2 224.308 1.112 20 30 BDEDLO N#CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000844286447 588181166 /nfs/dbraw/zinc/18/11/66/588181166.db2.gz BTIOOJIQPDFKDY-UHFFFAOYSA-N 1 2 230.315 1.565 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844289820 588181943 /nfs/dbraw/zinc/18/19/43/588181943.db2.gz HBDVSMFGNPYVAK-KOLCDFICSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844289820 588181945 /nfs/dbraw/zinc/18/19/45/588181945.db2.gz HBDVSMFGNPYVAK-KOLCDFICSA-N 1 2 237.303 1.061 20 30 BDEDLO CCC/C(C)=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844529125 588200923 /nfs/dbraw/zinc/20/09/23/588200923.db2.gz NTUBQMHHBMZLGD-RUNBWSAHSA-N 1 2 237.347 1.693 20 30 BDEDLO C=CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280410 588225612 /nfs/dbraw/zinc/22/56/12/588225612.db2.gz BLJFOHICHNOALS-JTQLQIEISA-N 1 2 208.261 1.954 20 30 BDEDLO C[C@@H](CC(=O)OC1(C#N)CCC1)n1cc[nH+]c1 ZINC000845485374 588230147 /nfs/dbraw/zinc/23/01/47/588230147.db2.gz JDKFFEBKNZHAEH-JTQLQIEISA-N 1 2 233.271 1.824 20 30 BDEDLO C=C[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845522115 588231933 /nfs/dbraw/zinc/23/19/33/588231933.db2.gz JUIJRMDCHAWXKG-ZJUUUORDSA-N 1 2 208.261 1.952 20 30 BDEDLO CC[C@H](C#N)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000845859442 588248283 /nfs/dbraw/zinc/24/82/83/588248283.db2.gz XAMBEVKMWDVFCS-SNVBAGLBSA-N 1 2 246.314 1.944 20 30 BDEDLO C[C@H](CC(=O)NC1=NO[C@H](C)C1)n1cc[nH+]c1 ZINC000845900096 588249826 /nfs/dbraw/zinc/24/98/26/588249826.db2.gz PGYQREPZXRYCFD-RKDXNWHRSA-N 1 2 236.275 1.073 20 30 BDEDLO C#C[C@@H](CC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846009110 588253383 /nfs/dbraw/zinc/25/33/83/588253383.db2.gz ZOVBSFQOMCLPDT-NSHDSACASA-N 1 2 245.326 1.290 20 30 BDEDLO C=C[C@@H](C)ONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846554876 588276898 /nfs/dbraw/zinc/27/68/98/588276898.db2.gz KXABBEPDPMFLDV-VHSXEESVSA-N 1 2 223.276 1.457 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000847018730 588301885 /nfs/dbraw/zinc/30/18/85/588301885.db2.gz MGVKAPJWDWYDPT-GFCCVEGCSA-N 1 2 232.331 1.704 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000847018730 588301886 /nfs/dbraw/zinc/30/18/86/588301886.db2.gz MGVKAPJWDWYDPT-GFCCVEGCSA-N 1 2 232.331 1.704 20 30 BDEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000847116989 588306792 /nfs/dbraw/zinc/30/67/92/588306792.db2.gz QPEYRDHZXFPTEF-QWRGUYRKSA-N 1 2 245.326 1.289 20 30 BDEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000847116989 588306793 /nfs/dbraw/zinc/30/67/93/588306793.db2.gz QPEYRDHZXFPTEF-QWRGUYRKSA-N 1 2 245.326 1.289 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccnn1C ZINC000848416876 588381697 /nfs/dbraw/zinc/38/16/97/588381697.db2.gz BOPCYFGNWRNKNT-UHFFFAOYSA-N 1 2 246.318 1.021 20 30 BDEDLO C#CCCCNc1nc[nH+]c(C)c1OC ZINC000848669263 588404682 /nfs/dbraw/zinc/40/46/82/588404682.db2.gz CUXGJGISKWAPRA-UHFFFAOYSA-N 1 2 205.261 1.619 20 30 BDEDLO C#C[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000848750089 588411255 /nfs/dbraw/zinc/41/12/55/588411255.db2.gz BOTONHNELCUZRW-JTQLQIEISA-N 1 2 241.298 1.213 20 30 BDEDLO C[NH+](C)c1ccc(-n2cc(CCC#N)nn2)cc1 ZINC000849145771 588455572 /nfs/dbraw/zinc/45/55/72/588455572.db2.gz JVSGZRKOKRXFKM-UHFFFAOYSA-N 1 2 241.298 1.789 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCc1cc[nH+]c(N)c1 ZINC000849852077 588505050 /nfs/dbraw/zinc/50/50/50/588505050.db2.gz KRAPXNJEXXNXFA-QMMMGPOBSA-N 1 2 219.244 1.257 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000851026936 588584983 /nfs/dbraw/zinc/58/49/83/588584983.db2.gz QMCHSOLAEBRWHR-JTQLQIEISA-N 1 2 247.298 1.741 20 30 BDEDLO C#CCOCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000851726502 588617896 /nfs/dbraw/zinc/61/78/96/588617896.db2.gz QZHDBVYFRRGXIO-HNNXBMFYSA-N 1 2 245.322 1.710 20 30 BDEDLO C#CCOCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000851726502 588617897 /nfs/dbraw/zinc/61/78/97/588617897.db2.gz QZHDBVYFRRGXIO-HNNXBMFYSA-N 1 2 245.322 1.710 20 30 BDEDLO C#CCOCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000851776584 588626491 /nfs/dbraw/zinc/62/64/91/588626491.db2.gz UXOFWFSOMASCJL-CYBMUJFWSA-N 1 2 249.310 1.611 20 30 BDEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000851776584 588626492 /nfs/dbraw/zinc/62/64/92/588626492.db2.gz UXOFWFSOMASCJL-CYBMUJFWSA-N 1 2 249.310 1.611 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC000851797870 588629667 /nfs/dbraw/zinc/62/96/67/588629667.db2.gz MNZYTZXCPJEVGO-JTQLQIEISA-N 1 2 212.293 1.373 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC000851797870 588629668 /nfs/dbraw/zinc/62/96/68/588629668.db2.gz MNZYTZXCPJEVGO-JTQLQIEISA-N 1 2 212.293 1.373 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C)oc1C)[C@@H]1CCCO1 ZINC000851951497 588647629 /nfs/dbraw/zinc/64/76/29/588647629.db2.gz XJEZQYJWWBXEIE-AAEUAGOBSA-N 1 2 234.299 1.562 20 30 BDEDLO CCCCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000852156898 588667751 /nfs/dbraw/zinc/66/77/51/588667751.db2.gz CVAMMTNXBNCLST-GFCCVEGCSA-N 1 2 231.336 1.470 20 30 BDEDLO C=CCC[N@H+]1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000852168756 588669137 /nfs/dbraw/zinc/66/91/37/588669137.db2.gz NRGAYTIPBMNZLG-JTQLQIEISA-N 1 2 244.360 1.281 20 30 BDEDLO C=CCC[N@@H+]1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000852168756 588669138 /nfs/dbraw/zinc/66/91/38/588669138.db2.gz NRGAYTIPBMNZLG-JTQLQIEISA-N 1 2 244.360 1.281 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000852205945 588671751 /nfs/dbraw/zinc/67/17/51/588671751.db2.gz BDXXKKWLFYIMNQ-NSHDSACASA-N 1 2 218.304 1.083 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000852205945 588671752 /nfs/dbraw/zinc/67/17/52/588671752.db2.gz BDXXKKWLFYIMNQ-NSHDSACASA-N 1 2 218.304 1.083 20 30 BDEDLO C=CC[N@H+](Cc1cnon1)[C@H](C)COC ZINC000852356973 588679645 /nfs/dbraw/zinc/67/96/45/588679645.db2.gz UEWQZQUBNSIOLF-SECBINFHSA-N 1 2 211.265 1.093 20 30 BDEDLO C=CC[N@@H+](Cc1cnon1)[C@H](C)COC ZINC000852356973 588679646 /nfs/dbraw/zinc/67/96/46/588679646.db2.gz UEWQZQUBNSIOLF-SECBINFHSA-N 1 2 211.265 1.093 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1C ZINC000110717773 588692032 /nfs/dbraw/zinc/69/20/32/588692032.db2.gz GPRDDMBQLFKWIR-LBPRGKRZSA-N 1 2 229.327 1.694 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1C ZINC000110717773 588692033 /nfs/dbraw/zinc/69/20/33/588692033.db2.gz GPRDDMBQLFKWIR-LBPRGKRZSA-N 1 2 229.327 1.694 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1nnc(CC)o1 ZINC000852753154 588700171 /nfs/dbraw/zinc/70/01/71/588700171.db2.gz ZMSKFINPATZKJM-UHFFFAOYSA-N 1 2 237.303 1.104 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1nnc(CC)o1 ZINC000852753154 588700172 /nfs/dbraw/zinc/70/01/72/588700172.db2.gz ZMSKFINPATZKJM-UHFFFAOYSA-N 1 2 237.303 1.104 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000862133269 589192917 /nfs/dbraw/zinc/19/29/17/589192917.db2.gz WEXJEOAMVWIBTL-GHMZBOCLSA-N 1 2 249.314 1.376 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000862392634 589207870 /nfs/dbraw/zinc/20/78/70/589207870.db2.gz NYCWPOUEPGLZBI-BQUFFADESA-N 1 2 235.327 1.576 20 30 BDEDLO COc1cc(CC(C)=[NH+]n2cccn2)ccn1 ZINC000863163821 589266344 /nfs/dbraw/zinc/26/63/44/589266344.db2.gz PXZFUEQYZZGKFX-UHFFFAOYSA-N 1 2 230.271 1.753 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)/C(F)=C/CC)CC1 ZINC000865084984 589408188 /nfs/dbraw/zinc/40/81/88/589408188.db2.gz JOTJXARIXIYTEJ-SDQBBNPISA-N 1 2 238.306 1.417 20 30 BDEDLO Cn1cc(C(=O)/C=C\c2cn(C3CC3)c[nH+]2)nn1 ZINC000865226070 589414618 /nfs/dbraw/zinc/41/46/18/589414618.db2.gz OVIDNJCHUVJFQN-DJWKRKHSSA-N 1 2 243.270 1.243 20 30 BDEDLO C=CCOCCNc1cc(NCCC)[nH+]cn1 ZINC000865666561 589455272 /nfs/dbraw/zinc/45/52/72/589455272.db2.gz JGNVVZSLLYBNON-UHFFFAOYSA-N 1 2 236.319 1.913 20 30 BDEDLO C=CCOCCNc1cc(NCCC)nc[nH+]1 ZINC000865666561 589455273 /nfs/dbraw/zinc/45/52/73/589455273.db2.gz JGNVVZSLLYBNON-UHFFFAOYSA-N 1 2 236.319 1.913 20 30 BDEDLO C#CC[C@@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000865820090 589463061 /nfs/dbraw/zinc/46/30/61/589463061.db2.gz IOLBNMCSAQDHME-LBPRGKRZSA-N 1 2 233.315 1.615 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000866308477 589485603 /nfs/dbraw/zinc/48/56/03/589485603.db2.gz COYCYLFDJFBJKN-GXSJLCMTSA-N 1 2 232.283 1.703 20 30 BDEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000869244685 589593826 /nfs/dbraw/zinc/59/38/26/589593826.db2.gz ZAEZHOANBZOPIY-PWSUYJOCSA-N 1 2 249.314 1.258 20 30 BDEDLO COC(=O)Cc1ccccc1C[N@H+](C)CCC#N ZINC000123473834 589719928 /nfs/dbraw/zinc/71/99/28/589719928.db2.gz UFOXVTPFLZJJHX-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO COC(=O)Cc1ccccc1C[N@@H+](C)CCC#N ZINC000123473834 589719929 /nfs/dbraw/zinc/71/99/29/589719929.db2.gz UFOXVTPFLZJJHX-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO C#CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000871418146 589757866 /nfs/dbraw/zinc/75/78/66/589757866.db2.gz VNBWJCMQRVVYPD-GFCCVEGCSA-N 1 2 241.294 1.026 20 30 BDEDLO Cc1nccnc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000871936645 589834807 /nfs/dbraw/zinc/83/48/07/589834807.db2.gz LRSYYMAKDDEQET-RYUDHWBXSA-N 1 2 243.314 1.879 20 30 BDEDLO Fc1cncnc1N=NCc1cn(C2CC2)c[nH+]1 ZINC000872376921 589926208 /nfs/dbraw/zinc/92/62/08/589926208.db2.gz OBAYALRIZIWBEZ-UHFFFAOYSA-N 1 2 246.249 1.593 20 30 BDEDLO F[C@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000872387330 589930766 /nfs/dbraw/zinc/93/07/66/589930766.db2.gz JLVXKVSHNBHQMB-JTQLQIEISA-N 1 2 224.283 1.741 20 30 BDEDLO C=C(C)COCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000125621645 590173857 /nfs/dbraw/zinc/17/38/57/590173857.db2.gz ZKRJZCNUMKRHJW-NSHDSACASA-N 1 2 243.347 1.899 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)NCc1c[nH+]cn1C ZINC000876305722 590194328 /nfs/dbraw/zinc/19/43/28/590194328.db2.gz REYKLGBIJMUQHO-UHFFFAOYSA-N 1 2 249.318 1.111 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877322144 590316218 /nfs/dbraw/zinc/31/62/18/590316218.db2.gz ZOCBVXKDLMWDNG-MRVPVSSYSA-N 1 2 234.690 1.856 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc(OC)s1 ZINC000877480365 590337292 /nfs/dbraw/zinc/33/72/92/590337292.db2.gz SOKCWRQFCUMIJC-MRVPVSSYSA-N 1 2 210.302 1.605 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc(OC)s1 ZINC000877480365 590337294 /nfs/dbraw/zinc/33/72/94/590337294.db2.gz SOKCWRQFCUMIJC-MRVPVSSYSA-N 1 2 210.302 1.605 20 30 BDEDLO COc1cnc(F)c(C[NH2+]CCC#N)c1 ZINC000877483096 590338115 /nfs/dbraw/zinc/33/81/15/590338115.db2.gz JPWQRHBXBVWUIP-UHFFFAOYSA-N 1 2 209.224 1.233 20 30 BDEDLO Cc1ncc([C@H](C)[NH2+]CCC#N)c(C)n1 ZINC000877483552 590338152 /nfs/dbraw/zinc/33/81/52/590338152.db2.gz NSUUODHGTPBJAQ-QMMMGPOBSA-N 1 2 204.277 1.658 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C(=O)OC ZINC000877584107 590366693 /nfs/dbraw/zinc/36/66/93/590366693.db2.gz XFCYAAHQBGXYJP-NWDGAFQWSA-N 1 2 241.331 1.202 20 30 BDEDLO C#CC[C@H]([NH2+]CC1(C(C)C)CC1)C(=O)OC ZINC000877583372 590366699 /nfs/dbraw/zinc/36/66/99/590366699.db2.gz POFBEIURMVHCGF-NSHDSACASA-N 1 2 223.316 1.577 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OC ZINC000877690687 590393065 /nfs/dbraw/zinc/39/30/65/590393065.db2.gz SYSDGZKZDRFBHN-GARJFASQSA-N 1 2 243.372 1.835 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000877690689 590393136 /nfs/dbraw/zinc/39/31/36/590393136.db2.gz SYSDGZKZDRFBHN-VWYCJHECSA-N 1 2 243.372 1.835 20 30 BDEDLO C#CCCCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000878175931 590515858 /nfs/dbraw/zinc/51/58/58/590515858.db2.gz GBYXVIQCCMAPGL-UHFFFAOYSA-N 1 2 206.293 1.430 20 30 BDEDLO C#CCCCCC[N@H+](C)Cc1nnc[nH]1 ZINC000878175931 590515860 /nfs/dbraw/zinc/51/58/60/590515860.db2.gz GBYXVIQCCMAPGL-UHFFFAOYSA-N 1 2 206.293 1.430 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000878321376 590545300 /nfs/dbraw/zinc/54/53/00/590545300.db2.gz PERMCFBZARELDP-VIFPVBQESA-N 1 2 245.269 1.835 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCc1cnccn1 ZINC000878337138 590549987 /nfs/dbraw/zinc/54/99/87/590549987.db2.gz CYELIOUDDOLVKB-LBPRGKRZSA-N 1 2 249.314 1.069 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCc1cnccn1 ZINC000878337138 590549988 /nfs/dbraw/zinc/54/99/88/590549988.db2.gz CYELIOUDDOLVKB-LBPRGKRZSA-N 1 2 249.314 1.069 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000878379842 590556900 /nfs/dbraw/zinc/55/69/00/590556900.db2.gz XWJPIONXUUUYFO-MNOVXSKESA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000878409289 590562182 /nfs/dbraw/zinc/56/21/82/590562182.db2.gz IQHXALFZERWHTA-QWRGUYRKSA-N 1 2 229.320 1.365 20 30 BDEDLO CC[C@@H](C)[C@@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000878416363 590563526 /nfs/dbraw/zinc/56/35/26/590563526.db2.gz IZWOZYOIPIPFGY-GHMZBOCLSA-N 1 2 238.331 1.858 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)ccc1OC ZINC000878502201 590581886 /nfs/dbraw/zinc/58/18/86/590581886.db2.gz YFQQIJGXLRYCIZ-UHFFFAOYSA-N 1 2 247.294 1.547 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)ccc1OC ZINC000878502201 590581888 /nfs/dbraw/zinc/58/18/88/590581888.db2.gz YFQQIJGXLRYCIZ-UHFFFAOYSA-N 1 2 247.294 1.547 20 30 BDEDLO C=CC[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)OC ZINC000878509150 590582920 /nfs/dbraw/zinc/58/29/20/590582920.db2.gz JAUNTRUNKBHGGT-SCVCMEIPSA-N 1 2 227.304 1.261 20 30 BDEDLO C=CC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878916531 590650550 /nfs/dbraw/zinc/65/05/50/590650550.db2.gz ZGLLNMIRKSDVFH-BDAKNGLRSA-N 1 2 205.248 1.653 20 30 BDEDLO C=CC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878916531 590650552 /nfs/dbraw/zinc/65/05/52/590650552.db2.gz ZGLLNMIRKSDVFH-BDAKNGLRSA-N 1 2 205.248 1.653 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000879185965 590710573 /nfs/dbraw/zinc/71/05/73/590710573.db2.gz VFCNJDQEMSXPST-NSHDSACASA-N 1 2 231.303 1.593 20 30 BDEDLO COC(=O)CC[N@H+](CC#N)CC1CCC1 ZINC000879471589 590775195 /nfs/dbraw/zinc/77/51/95/590775195.db2.gz ASUUFZWZIXWOKZ-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO COC(=O)CC[N@@H+](CC#N)CC1CCC1 ZINC000879471589 590775201 /nfs/dbraw/zinc/77/52/01/590775201.db2.gz ASUUFZWZIXWOKZ-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO C#CC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737214 590857873 /nfs/dbraw/zinc/85/78/73/590857873.db2.gz FVZUXWZSOKCZNX-CQSZACIVSA-N 1 2 231.295 1.702 20 30 BDEDLO C#CC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737214 590857876 /nfs/dbraw/zinc/85/78/76/590857876.db2.gz FVZUXWZSOKCZNX-CQSZACIVSA-N 1 2 231.295 1.702 20 30 BDEDLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCCC#N ZINC000879981937 590903841 /nfs/dbraw/zinc/90/38/41/590903841.db2.gz XOFVVVFALXOALB-NSHDSACASA-N 1 2 224.304 1.612 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1c[nH+]cn1C ZINC000880027260 590911976 /nfs/dbraw/zinc/91/19/76/590911976.db2.gz PPSWOYPHOBOUKN-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO COCC#CC[NH2+]C1(c2ncccn2)CCC1 ZINC000880366456 591011860 /nfs/dbraw/zinc/01/18/60/591011860.db2.gz LGZIIFNXVKYCGC-UHFFFAOYSA-N 1 2 231.299 1.095 20 30 BDEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880419512 591028194 /nfs/dbraw/zinc/02/81/94/591028194.db2.gz MEUVDGVXGOTISM-ZWNOBZJWSA-N 1 2 232.258 1.264 20 30 BDEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000880419512 591028198 /nfs/dbraw/zinc/02/81/98/591028198.db2.gz MEUVDGVXGOTISM-ZWNOBZJWSA-N 1 2 232.258 1.264 20 30 BDEDLO CC[N@H+](CCC#N)[C@H](CO)c1ccccc1 ZINC000880460095 591051011 /nfs/dbraw/zinc/05/10/11/591051011.db2.gz PMVGSFJIZWZBNT-CYBMUJFWSA-N 1 2 218.300 1.956 20 30 BDEDLO CC[N@@H+](CCC#N)[C@H](CO)c1ccccc1 ZINC000880460095 591051014 /nfs/dbraw/zinc/05/10/14/591051014.db2.gz PMVGSFJIZWZBNT-CYBMUJFWSA-N 1 2 218.300 1.956 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCc2ncncc2C1 ZINC000880596781 591105936 /nfs/dbraw/zinc/10/59/36/591105936.db2.gz AHNCTHCVAPPHNC-LLVKDONJSA-N 1 2 215.300 1.637 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCc2ncncc2C1 ZINC000880596781 591105940 /nfs/dbraw/zinc/10/59/40/591105940.db2.gz AHNCTHCVAPPHNC-LLVKDONJSA-N 1 2 215.300 1.637 20 30 BDEDLO C=C(C)CNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880820323 591143053 /nfs/dbraw/zinc/14/30/53/591143053.db2.gz OPAPNYMKEUOEQJ-UHFFFAOYSA-N 1 2 249.318 1.026 20 30 BDEDLO C=C(C)CNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880820323 591143056 /nfs/dbraw/zinc/14/30/56/591143056.db2.gz OPAPNYMKEUOEQJ-UHFFFAOYSA-N 1 2 249.318 1.026 20 30 BDEDLO C=C[C@](C)(O)c1cn(Cc2ccc[nH+]c2C)nn1 ZINC000881297860 591183246 /nfs/dbraw/zinc/18/32/46/591183246.db2.gz AHVGQNUIEGZRHW-ZDUSSCGKSA-N 1 2 244.298 1.423 20 30 BDEDLO CC#CC[NH2+]Cc1cn(Cc2ccsc2)nn1 ZINC000881311580 591186886 /nfs/dbraw/zinc/18/68/86/591186886.db2.gz AWILVQPLDZXZQA-UHFFFAOYSA-N 1 2 246.339 1.501 20 30 BDEDLO C#CCSCCNc1nc[nH+]c(C)c1C ZINC000882005654 591287534 /nfs/dbraw/zinc/28/75/34/591287534.db2.gz DTUDFMAJVAPYIE-UHFFFAOYSA-N 1 2 221.329 1.872 20 30 BDEDLO Cc1nc(C#N)cc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000882407419 591344219 /nfs/dbraw/zinc/34/42/19/591344219.db2.gz QJUDSVVNTKSXGP-SNVBAGLBSA-N 1 2 240.270 1.410 20 30 BDEDLO CO[NH+]=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000129770070 591401087 /nfs/dbraw/zinc/40/10/87/591401087.db2.gz KYRBZPPTQDVDBN-UHFFFAOYSA-N 1 2 246.213 1.563 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CC(CC)CC)CC1 ZINC000129863541 591414366 /nfs/dbraw/zinc/41/43/66/591414366.db2.gz KGJXIMXMINCFIK-UHFFFAOYSA-N 1 2 236.359 1.590 20 30 BDEDLO N#CC1(CCO[NH+]=C(N)CO)CCCCC1 ZINC000883012688 591513148 /nfs/dbraw/zinc/51/31/48/591513148.db2.gz OOMYCVNLZNHBIT-UHFFFAOYSA-N 1 2 225.292 1.341 20 30 BDEDLO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)CO ZINC000883012064 591513348 /nfs/dbraw/zinc/51/33/48/591513348.db2.gz RVNVFVAKFSLGFM-UHFFFAOYSA-N 1 2 247.298 1.479 20 30 BDEDLO CC[N@@H+](C/C=C(\C)C(=O)OC)CCC#N ZINC000214749353 591781857 /nfs/dbraw/zinc/78/18/57/591781857.db2.gz ZVYCBWZYIZWLLU-UXBLZVDNSA-N 1 2 210.277 1.341 20 30 BDEDLO CC[N@H+](C/C=C(\C)C(=O)OC)CCC#N ZINC000214749353 591781858 /nfs/dbraw/zinc/78/18/58/591781858.db2.gz ZVYCBWZYIZWLLU-UXBLZVDNSA-N 1 2 210.277 1.341 20 30 BDEDLO C#CCSCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134588327 591939795 /nfs/dbraw/zinc/93/97/95/591939795.db2.gz XIMLSESCMFDKTO-VIFPVBQESA-N 1 2 223.345 1.735 20 30 BDEDLO C=CC[N@@H+](CCSCC)CC(=O)OCC ZINC000135020471 591973578 /nfs/dbraw/zinc/97/35/78/591973578.db2.gz ZIBCHGRSQBRGPR-UHFFFAOYSA-N 1 2 231.361 1.791 20 30 BDEDLO C=CC[N@H+](CCSCC)CC(=O)OCC ZINC000135020471 591973580 /nfs/dbraw/zinc/97/35/80/591973580.db2.gz ZIBCHGRSQBRGPR-UHFFFAOYSA-N 1 2 231.361 1.791 20 30 BDEDLO C=C(CC)C[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886946842 592400300 /nfs/dbraw/zinc/40/03/00/592400300.db2.gz SCWNOUPSMBPPNM-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886963403 592402212 /nfs/dbraw/zinc/40/22/12/592402212.db2.gz PJDLNXGNOVRKDZ-NWDGAFQWSA-N 1 2 241.331 1.653 20 30 BDEDLO C[N@H+](CCCF)Cc1ccncc1C#N ZINC000887142569 592460086 /nfs/dbraw/zinc/46/00/86/592460086.db2.gz QDODLVRDJMQXLY-UHFFFAOYSA-N 1 2 207.252 1.745 20 30 BDEDLO C[N@@H+](CCCF)Cc1ccncc1C#N ZINC000887142569 592460087 /nfs/dbraw/zinc/46/00/87/592460087.db2.gz QDODLVRDJMQXLY-UHFFFAOYSA-N 1 2 207.252 1.745 20 30 BDEDLO C#CCSCC(=O)Nc1cc(C)[nH+]cc1C ZINC000889792755 592654418 /nfs/dbraw/zinc/65/44/18/592654418.db2.gz MARHXEXCFBEVQQ-UHFFFAOYSA-N 1 2 234.324 1.425 20 30 BDEDLO C=CCN(CCOC)c1cc(NC)[nH+]cn1 ZINC000893461504 634515527 /nfs/dbraw/zinc/51/55/27/634515527.db2.gz PPFMMMCLECTGPC-UHFFFAOYSA-N 1 2 222.292 1.157 20 30 BDEDLO C=CCN(CCOC)c1cc(NC)nc[nH+]1 ZINC000893461504 634515531 /nfs/dbraw/zinc/51/55/31/634515531.db2.gz PPFMMMCLECTGPC-UHFFFAOYSA-N 1 2 222.292 1.157 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N(C)C)[nH+]cn1 ZINC000893527934 634562506 /nfs/dbraw/zinc/56/25/06/634562506.db2.gz SHZDEXSAAXLQLI-SECBINFHSA-N 1 2 204.277 1.001 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N(C)C)nc[nH+]1 ZINC000893527934 634562511 /nfs/dbraw/zinc/56/25/11/634562511.db2.gz SHZDEXSAAXLQLI-SECBINFHSA-N 1 2 204.277 1.001 20 30 BDEDLO N#CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000336665978 635199788 /nfs/dbraw/zinc/19/97/88/635199788.db2.gz FCXURYNVDDTQIA-SNVBAGLBSA-N 1 2 237.328 1.998 20 30 BDEDLO C=C(C)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324695 631253790 /nfs/dbraw/zinc/25/37/90/631253790.db2.gz SAHRTLMWEBVYEP-ZDUSSCGKSA-N 1 2 230.311 1.736 20 30 BDEDLO C=C(C)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324695 631253799 /nfs/dbraw/zinc/25/37/99/631253799.db2.gz SAHRTLMWEBVYEP-ZDUSSCGKSA-N 1 2 230.311 1.736 20 30 BDEDLO C=CCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308374677 631311822 /nfs/dbraw/zinc/31/18/22/631311822.db2.gz JUPAHJMGKBMGLY-UHFFFAOYSA-N 1 2 205.261 1.246 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CO)c(F)c1 ZINC000934031007 631631528 /nfs/dbraw/zinc/63/15/28/631631528.db2.gz OBLBNQVWRVZMDD-NSHDSACASA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CO)c(F)c1 ZINC000934031007 631631531 /nfs/dbraw/zinc/63/15/31/631631531.db2.gz OBLBNQVWRVZMDD-NSHDSACASA-N 1 2 220.247 1.264 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(COC)no1 ZINC000934460916 631851668 /nfs/dbraw/zinc/85/16/68/631851668.db2.gz KYUCDSRKJNYGCL-ZJUUUORDSA-N 1 2 237.303 1.927 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(COC)no1 ZINC000934460916 631851673 /nfs/dbraw/zinc/85/16/73/631851673.db2.gz KYUCDSRKJNYGCL-ZJUUUORDSA-N 1 2 237.303 1.927 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC000934513951 631897255 /nfs/dbraw/zinc/89/72/55/631897255.db2.gz DCZYSRHRYJYYGR-LLVKDONJSA-N 1 2 231.299 1.478 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC000934513951 631897258 /nfs/dbraw/zinc/89/72/58/631897258.db2.gz DCZYSRHRYJYYGR-LLVKDONJSA-N 1 2 231.299 1.478 20 30 BDEDLO NC(=O)CCC/[NH+]=C/c1ccccc1O ZINC000127915586 631905922 /nfs/dbraw/zinc/90/59/22/631905922.db2.gz SGOFXQVEANAULE-MDWZMJQESA-N 1 2 206.245 1.077 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934574144 631948253 /nfs/dbraw/zinc/94/82/53/631948253.db2.gz RRKLKSWEPOJQLH-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934574144 631948254 /nfs/dbraw/zinc/94/82/54/631948254.db2.gz RRKLKSWEPOJQLH-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)C(=O)OC ZINC000934623088 631987142 /nfs/dbraw/zinc/98/71/42/631987142.db2.gz YPHBCQPHBLPRAR-GMTAPVOTSA-N 1 2 209.289 1.658 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)cs1)[C@H]1CCCO1 ZINC000309728583 632661706 /nfs/dbraw/zinc/66/17/06/632661706.db2.gz YYLMZGOFMQRIAO-GHMZBOCLSA-N 1 2 236.340 1.722 20 30 BDEDLO N#C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000928220176 635835246 /nfs/dbraw/zinc/83/52/46/635835246.db2.gz GFYXVLUHSLTSAK-GFCCVEGCSA-N 1 2 246.314 1.425 20 30 BDEDLO C=CC[C@H](CO)CNc1cc(N(C)C)nc[nH+]1 ZINC000893097158 633832484 /nfs/dbraw/zinc/83/24/84/633832484.db2.gz ZSDCUUBTFVGTSW-JTQLQIEISA-N 1 2 236.319 1.139 20 30 BDEDLO C=CC[C@H](CO)CNc1cc(N(C)C)[nH+]cn1 ZINC000893097158 633832487 /nfs/dbraw/zinc/83/24/87/633832487.db2.gz ZSDCUUBTFVGTSW-JTQLQIEISA-N 1 2 236.319 1.139 20 30 BDEDLO CC(C)OCCO[NH+]=C(N)c1ccccc1 ZINC000181486874 633916307 /nfs/dbraw/zinc/91/63/07/633916307.db2.gz XCPZUAHLFWLNKX-UHFFFAOYSA-N 1 2 222.288 1.749 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ncccn1 ZINC000930600593 633924805 /nfs/dbraw/zinc/92/48/05/633924805.db2.gz LGYMTVAEVIYQEZ-JQWIXIFHSA-N 1 2 203.289 1.929 20 30 BDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cccs2)C1 ZINC001009992614 635160653 /nfs/dbraw/zinc/16/06/53/635160653.db2.gz FRMMQBDBMNXLIC-JTQLQIEISA-N 1 2 234.324 1.185 20 30 BDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccs2)C1 ZINC001009992614 635160656 /nfs/dbraw/zinc/16/06/56/635160656.db2.gz FRMMQBDBMNXLIC-JTQLQIEISA-N 1 2 234.324 1.185 20 30 BDEDLO Cc1cccn2c(C[NH2+]CCC#N)cnc12 ZINC000336656494 635202504 /nfs/dbraw/zinc/20/25/04/635202504.db2.gz APFDORQESSHAQY-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO CN(C)c1cc(N2CCC[C@H](CC#N)C2)nc[nH+]1 ZINC000258819916 635207900 /nfs/dbraw/zinc/20/79/00/635207900.db2.gz VRPSKMOMHDRZIP-LLVKDONJSA-N 1 2 245.330 1.673 20 30 BDEDLO CN(C)c1cc(N2CCC[C@H](CC#N)C2)[nH+]cn1 ZINC000258819916 635207908 /nfs/dbraw/zinc/20/79/08/635207908.db2.gz VRPSKMOMHDRZIP-LLVKDONJSA-N 1 2 245.330 1.673 20 30 BDEDLO C=CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000898661468 637051644 /nfs/dbraw/zinc/05/16/44/637051644.db2.gz HATYBNFPNZXKHK-LBPRGKRZSA-N 1 2 248.330 1.482 20 30 BDEDLO C=CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898661468 637051650 /nfs/dbraw/zinc/05/16/50/637051650.db2.gz HATYBNFPNZXKHK-LBPRGKRZSA-N 1 2 248.330 1.482 20 30 BDEDLO C=CC[C@H]([NH2+]CCc1ccccc1)C(=O)OC ZINC000905746670 637895620 /nfs/dbraw/zinc/89/56/20/637895620.db2.gz YAKGYCNPNPJYDP-ZDUSSCGKSA-N 1 2 233.311 1.936 20 30 BDEDLO C#CC[N@H+](Cn1cc(Cl)cn1)C(C)C ZINC000905743633 637904524 /nfs/dbraw/zinc/90/45/24/637904524.db2.gz XSECHMFCMNGAAW-UHFFFAOYSA-N 1 2 211.696 1.838 20 30 BDEDLO C#CC[N@@H+](Cn1cc(Cl)cn1)C(C)C ZINC000905743633 637904529 /nfs/dbraw/zinc/90/45/29/637904529.db2.gz XSECHMFCMNGAAW-UHFFFAOYSA-N 1 2 211.696 1.838 20 30 BDEDLO C#CC[N@H+](Cn1cccnc1=S)C(C)C ZINC000905742034 637905179 /nfs/dbraw/zinc/90/51/79/637905179.db2.gz ITCYXAFRCCYIBD-UHFFFAOYSA-N 1 2 221.329 1.914 20 30 BDEDLO C#CC[N@@H+](Cn1cccnc1=S)C(C)C ZINC000905742034 637905183 /nfs/dbraw/zinc/90/51/83/637905183.db2.gz ITCYXAFRCCYIBD-UHFFFAOYSA-N 1 2 221.329 1.914 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC ZINC000905769752 637925108 /nfs/dbraw/zinc/92/51/08/637925108.db2.gz IVMOPFSMFLZOON-ZYHUDNBSSA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@H]([NH2+]CCC(O)(CC)CC)C(=O)OC ZINC000905761493 637917413 /nfs/dbraw/zinc/91/74/13/637917413.db2.gz CTPUXBRBRLKQLT-NSHDSACASA-N 1 2 243.347 1.635 20 30 BDEDLO C=CC[C@@H]([NH2+]CCCSCC)C(=O)OC ZINC000905768402 637922924 /nfs/dbraw/zinc/92/29/24/637922924.db2.gz WZZMZGWMUIKXBE-SNVBAGLBSA-N 1 2 231.361 1.837 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)C(=O)OC ZINC000905769615 637925471 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/nfs/dbraw/zinc/08/90/10/644089010.db2.gz XIAWXFFXLFTHSL-UHFFFAOYSA-N 1 2 231.255 1.401 20 30 BDEDLO C=CC(C)(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922774173 644090857 /nfs/dbraw/zinc/09/08/57/644090857.db2.gz WDRKZZZMOJSKDA-UHFFFAOYSA-N 1 2 220.272 1.919 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000956970188 644672966 /nfs/dbraw/zinc/67/29/66/644672966.db2.gz BIQGIKRGKNIHRY-JSGCOSHPSA-N 1 2 236.359 1.753 20 30 BDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001017366047 644756765 /nfs/dbraw/zinc/75/67/65/644756765.db2.gz JAEWAMITCOMJMZ-MCIONIFRSA-N 1 2 248.370 1.731 20 30 BDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001017366047 644756770 /nfs/dbraw/zinc/75/67/70/644756770.db2.gz JAEWAMITCOMJMZ-MCIONIFRSA-N 1 2 248.370 1.731 20 30 BDEDLO Cc1cc(N)nc(SCCO[C@H](C)C#N)[nH+]1 ZINC000304276937 644884279 /nfs/dbraw/zinc/88/42/79/644884279.db2.gz WOSHYFOIHNJHOY-MRVPVSSYSA-N 1 2 238.316 1.388 20 30 BDEDLO C#CC1CC[NH+](CC(=O)Nc2cc(C)no2)CC1 ZINC000830316139 645118292 /nfs/dbraw/zinc/11/82/92/645118292.db2.gz FWVVSYNDWUNNDW-UHFFFAOYSA-N 1 2 247.298 1.267 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cnnn1C ZINC000926711985 645375865 /nfs/dbraw/zinc/37/58/65/645375865.db2.gz PLCLVOHJPWDNIH-NSHDSACASA-N 1 2 247.346 1.940 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC000847018031 645416592 /nfs/dbraw/zinc/41/65/92/645416592.db2.gz HLLOTMQFPBBMJI-VHSXEESVSA-N 1 2 221.329 1.944 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC000847018031 645416595 /nfs/dbraw/zinc/41/65/95/645416595.db2.gz HLLOTMQFPBBMJI-VHSXEESVSA-N 1 2 221.329 1.944 20 30 BDEDLO C[C@H](CC(=O)N1CCC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000928214407 645710102 /nfs/dbraw/zinc/71/01/02/645710102.db2.gz MUZRUWXBXIIZMI-NEPJUHHUSA-N 1 2 246.314 1.596 20 30 BDEDLO CC[C@H]([NH2+]CCOC)c1cccc(C#N)c1O ZINC000924538067 646058275 /nfs/dbraw/zinc/05/82/75/646058275.db2.gz RVFDSVRXPBCKAA-LBPRGKRZSA-N 1 2 234.299 1.951 20 30 BDEDLO CC[N@H+](CCC#N)C/C(C)=C\C(=O)OC ZINC000929774254 646290634 /nfs/dbraw/zinc/29/06/34/646290634.db2.gz MCJFXZZAOYKVMN-NTMALXAHSA-N 1 2 210.277 1.341 20 30 BDEDLO CC[N@@H+](CCC#N)C/C(C)=C\C(=O)OC ZINC000929774254 646290639 /nfs/dbraw/zinc/29/06/39/646290639.db2.gz MCJFXZZAOYKVMN-NTMALXAHSA-N 1 2 210.277 1.341 20 30 BDEDLO COCC[N@@H+](C/C=C(\C)COC)CCC#N ZINC000929777233 646304853 /nfs/dbraw/zinc/30/48/53/646304853.db2.gz AMYXEWMYXYBWIF-LFYBBSHMSA-N 1 2 226.320 1.441 20 30 BDEDLO COCC[N@H+](C/C=C(\C)COC)CCC#N ZINC000929777233 646304858 /nfs/dbraw/zinc/30/48/58/646304858.db2.gz AMYXEWMYXYBWIF-LFYBBSHMSA-N 1 2 226.320 1.441 20 30 BDEDLO C=C(C[NH+](C)C)C(=O)N=S(=O)(CC)CC ZINC000925878508 646527472 /nfs/dbraw/zinc/52/74/72/646527472.db2.gz HGKJGYMYLQSRAV-UHFFFAOYSA-N 1 2 232.349 1.139 20 30 BDEDLO C#CC[C@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC000895191313 711779887 /nfs/dbraw/zinc/77/98/87/711779887.db2.gz NGORNGCVHCKBGC-JTQLQIEISA-N 1 2 216.288 1.368 20 30 BDEDLO C#CC[C@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC000895191313 711779888 /nfs/dbraw/zinc/77/98/88/711779888.db2.gz NGORNGCVHCKBGC-JTQLQIEISA-N 1 2 216.288 1.368 20 30 BDEDLO C#CC[N@H+](Cc1cn(C2CCC2)nn1)C(C)C ZINC000897170824 711784759 /nfs/dbraw/zinc/78/47/59/711784759.db2.gz ISRHLUDFSNLLKV-UHFFFAOYSA-N 1 2 232.331 1.847 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C2CCC2)nn1)C(C)C ZINC000897170824 711784760 /nfs/dbraw/zinc/78/47/60/711784760.db2.gz ISRHLUDFSNLLKV-UHFFFAOYSA-N 1 2 232.331 1.847 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C(C)=C2CCC2)C1 ZINC001030290327 711830208 /nfs/dbraw/zinc/83/02/08/711830208.db2.gz FSKCJYSWQDVNEF-UHFFFAOYSA-N 1 2 232.327 1.311 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)cs1 ZINC000711419813 712299498 /nfs/dbraw/zinc/29/94/98/712299498.db2.gz QUDCHNDGEAVTDN-UHFFFAOYSA-N 1 2 223.297 1.600 20 30 BDEDLO C=C(Cl)C[N@H+]1CCSC[C@H]1CCO ZINC000379374951 712379024 /nfs/dbraw/zinc/37/90/24/712379024.db2.gz NXDLBBVYNJHYKD-SECBINFHSA-N 1 2 221.753 1.539 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCSC[C@H]1CCO ZINC000379374951 712379026 /nfs/dbraw/zinc/37/90/26/712379026.db2.gz NXDLBBVYNJHYKD-SECBINFHSA-N 1 2 221.753 1.539 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038406059 710685494 /nfs/dbraw/zinc/68/54/94/710685494.db2.gz BLWUOUJMBOKCAI-CHWSQXEVSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038406059 710685496 /nfs/dbraw/zinc/68/54/96/710685496.db2.gz BLWUOUJMBOKCAI-CHWSQXEVSA-N 1 2 246.354 1.390 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2=CCCC2)C1 ZINC001042607765 710795055 /nfs/dbraw/zinc/79/50/55/710795055.db2.gz RFSLAASEKVRYML-UHFFFAOYSA-N 1 2 234.343 1.815 20 30 BDEDLO C(#Cc1ccccc1)C[NH2+]Cc1ncc[nH]1 ZINC000381116198 710602932 /nfs/dbraw/zinc/60/29/32/710602932.db2.gz HGLBKOSOIRWKTK-UHFFFAOYSA-N 1 2 211.268 1.551 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cocc1C ZINC001038591391 710698159 /nfs/dbraw/zinc/69/81/59/710698159.db2.gz HYVGTGQOGNXYSF-NSHDSACASA-N 1 2 232.283 1.025 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cocc1C ZINC001038591391 710698162 /nfs/dbraw/zinc/69/81/62/710698162.db2.gz HYVGTGQOGNXYSF-NSHDSACASA-N 1 2 232.283 1.025 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCCC2)C1 ZINC001042402073 710781211 /nfs/dbraw/zinc/78/12/11/710781211.db2.gz VMULUUNPFOLNQG-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001038186724 711476577 /nfs/dbraw/zinc/47/65/77/711476577.db2.gz AJBVYNBUSZCXDC-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001038186724 711476579 /nfs/dbraw/zinc/47/65/79/711476579.db2.gz AJBVYNBUSZCXDC-JTQLQIEISA-N 1 2 249.314 1.227 20 30 BDEDLO N#CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000308879536 711572625 /nfs/dbraw/zinc/57/26/25/711572625.db2.gz PFJSRRXUJXJESA-UHFFFAOYSA-N 1 2 200.245 1.566 20 30 BDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OCC1CC1 ZINC000393905384 711679619 /nfs/dbraw/zinc/67/96/19/711679619.db2.gz FVUPDFVTGINSPF-UHFFFAOYSA-N 1 2 228.683 1.247 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc[nH]c2C)C1 ZINC001042594202 711787220 /nfs/dbraw/zinc/78/72/20/711787220.db2.gz WFNCOJPZPQHYIC-UHFFFAOYSA-N 1 2 247.342 1.655 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(C)C ZINC001032476566 711920482 /nfs/dbraw/zinc/92/04/82/711920482.db2.gz OYGPQEPNWNUBDC-AVGNSLFASA-N 1 2 248.370 1.587 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(C)C ZINC001032476566 711920483 /nfs/dbraw/zinc/92/04/83/711920483.db2.gz OYGPQEPNWNUBDC-AVGNSLFASA-N 1 2 248.370 1.587 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)cs1 ZINC000711419813 712299496 /nfs/dbraw/zinc/29/94/96/712299496.db2.gz QUDCHNDGEAVTDN-UHFFFAOYSA-N 1 2 223.297 1.600 20 30 BDEDLO C#CC[C@@H](COC)[NH2+]Cc1ncc(C)o1 ZINC000716399682 712558356 /nfs/dbraw/zinc/55/83/56/712558356.db2.gz UGUIVNCXGYAEPW-JTQLQIEISA-N 1 2 208.261 1.111 20 30 BDEDLO CCOC(=O)/C=C/C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000931474344 712714118 /nfs/dbraw/zinc/71/41/18/712714118.db2.gz FDCZDPAECYOJOL-JZUADKBYSA-N 1 2 236.315 1.730 20 30 BDEDLO CCOC(=O)/C=C/C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000931474344 712714120 /nfs/dbraw/zinc/71/41/20/712714120.db2.gz FDCZDPAECYOJOL-JZUADKBYSA-N 1 2 236.315 1.730 20 30 BDEDLO C#CCC[C@H](O)CNc1[nH+]cccc1OC ZINC000717903641 712732392 /nfs/dbraw/zinc/73/23/92/712732392.db2.gz LPAKCTVKEWDUOU-JTQLQIEISA-N 1 2 220.272 1.276 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720864818 712871548 /nfs/dbraw/zinc/87/15/48/712871548.db2.gz LYYQRPDXIFPWKX-SDDRHHMPSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720864818 712871549 /nfs/dbraw/zinc/87/15/49/712871549.db2.gz LYYQRPDXIFPWKX-SDDRHHMPSA-N 1 2 208.305 1.789 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)CCC)C1 ZINC001267640194 960157931 /nfs/dbraw/zinc/15/79/31/960157931.db2.gz AEAHXJGAFKSOCJ-NSHDSACASA-N 1 2 222.332 1.246 20 30 BDEDLO C#CC[N@@H+](C)Cc1c[nH]nc1C(F)(F)F ZINC001141016093 960817693 /nfs/dbraw/zinc/81/76/93/960817693.db2.gz RQNZCXMOTSQPQV-UHFFFAOYSA-N 1 2 217.194 1.494 20 30 BDEDLO C#CC[N@H+](C)Cc1c[nH]nc1C(F)(F)F ZINC001141016093 960817700 /nfs/dbraw/zinc/81/77/00/960817700.db2.gz RQNZCXMOTSQPQV-UHFFFAOYSA-N 1 2 217.194 1.494 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H](C)CCC)C1 ZINC001481548767 961175272 /nfs/dbraw/zinc/17/52/72/961175272.db2.gz IZGBMKKHFOTFJI-NSHDSACASA-N 1 2 224.348 1.799 20 30 BDEDLO Cc1[nH]c([C@H]2CCCN2C(=O)CC#N)[nH+]c1C ZINC001155175771 962999607 /nfs/dbraw/zinc/99/96/07/962999607.db2.gz VELUBCYWCQFEAC-SNVBAGLBSA-N 1 2 232.287 1.604 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000694575820 967887642 /nfs/dbraw/zinc/88/76/42/967887642.db2.gz GAYDFUZCBNSDBG-QWRGUYRKSA-N 1 2 207.277 1.151 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000694575820 967887643 /nfs/dbraw/zinc/88/76/43/967887643.db2.gz GAYDFUZCBNSDBG-QWRGUYRKSA-N 1 2 207.277 1.151 20 30 BDEDLO C=CCOC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC001252470516 968725213 /nfs/dbraw/zinc/72/52/13/968725213.db2.gz LKOYGVDCJBPUCB-LLVKDONJSA-N 1 2 242.344 1.138 20 30 BDEDLO C=CCOC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC001252470516 968725220 /nfs/dbraw/zinc/72/52/20/968725220.db2.gz LKOYGVDCJBPUCB-LLVKDONJSA-N 1 2 242.344 1.138 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001252546792 968784859 /nfs/dbraw/zinc/78/48/59/968784859.db2.gz CDBRSINRZCPZRB-VHSXEESVSA-N 1 2 237.265 1.993 20 30 BDEDLO C=C[C@@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001253607699 969305727 /nfs/dbraw/zinc/30/57/27/969305727.db2.gz CYSDGXHTVZVSHF-HBNTYKKESA-N 1 2 229.320 1.101 20 30 BDEDLO C=CCN1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC001209556475 969542066 /nfs/dbraw/zinc/54/20/66/969542066.db2.gz WRQUJZUGPDGAMG-UHFFFAOYSA-N 1 2 220.320 1.022 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001254674858 969779888 /nfs/dbraw/zinc/77/98/88/969779888.db2.gz COSJSKUDQJWFNY-MNOVXSKESA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCn3nccc3C2)C1 ZINC001254674858 969779896 /nfs/dbraw/zinc/77/98/96/969779896.db2.gz COSJSKUDQJWFNY-MNOVXSKESA-N 1 2 216.288 1.391 20 30 BDEDLO C#C[C@H]1CCC[C@@H]1OCC[NH+]1CCOCC1 ZINC001210224987 969835657 /nfs/dbraw/zinc/83/56/57/969835657.db2.gz MSZRGLFNZFQHBG-STQMWFEESA-N 1 2 223.316 1.137 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001112664694 970137898 /nfs/dbraw/zinc/13/78/98/970137898.db2.gz OELWJINORGCLPI-NTUHNPAUSA-N 1 2 234.343 1.510 20 30 BDEDLO O=C(NCCCS)c1cc2c[nH+]ccc2[nH]1 ZINC001151978743 981096294 /nfs/dbraw/zinc/09/62/94/981096294.db2.gz JMBYGLPVQZVJMS-UHFFFAOYSA-N 1 2 235.312 1.613 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(C)C)o1 ZINC001194410586 981805948 /nfs/dbraw/zinc/80/59/48/981805948.db2.gz TWYIJJGGDCUMEX-ZJUUUORDSA-N 1 2 237.303 1.626 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C(C)C ZINC001488651201 983686659 /nfs/dbraw/zinc/68/66/59/983686659.db2.gz MCLYCRFVKDQWSN-NEPJUHHUSA-N 1 2 240.322 1.146 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C(C)C ZINC001488651201 983686667 /nfs/dbraw/zinc/68/66/67/983686667.db2.gz MCLYCRFVKDQWSN-NEPJUHHUSA-N 1 2 240.322 1.146 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](COCC)C(C)C)C(=O)OC ZINC000878598112 983964412 /nfs/dbraw/zinc/96/44/12/983964412.db2.gz XIEPHIMBMMJWRG-NWDGAFQWSA-N 1 2 243.347 1.755 20 30 BDEDLO C=C(C)C(=O)OC[C@@H](C)OCc1c[nH+]cn1C ZINC001222595276 972597501 /nfs/dbraw/zinc/59/75/01/972597501.db2.gz VRXRDYPGDHKPQM-SNVBAGLBSA-N 1 2 238.287 1.445 20 30 BDEDLO C=CC[NH+]1CCN([C@H](C)Cc2ccncc2)CC1 ZINC001256743625 970975741 /nfs/dbraw/zinc/97/57/41/970975741.db2.gz RGHNQQZRWFMYBG-CQSZACIVSA-N 1 2 245.370 1.816 20 30 BDEDLO COC(=O)CC1CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001256990528 971055581 /nfs/dbraw/zinc/05/55/81/971055581.db2.gz IXLNPIKAODDZNZ-UNXYVOJBSA-N 1 2 238.331 1.952 20 30 BDEDLO COC(=O)CC1CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001256990528 971055592 /nfs/dbraw/zinc/05/55/92/971055592.db2.gz IXLNPIKAODDZNZ-UNXYVOJBSA-N 1 2 238.331 1.952 20 30 BDEDLO CCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001257246391 971141925 /nfs/dbraw/zinc/14/19/25/971141925.db2.gz IQFLUKNETDXVNC-BDAKNGLRSA-N 1 2 219.350 1.626 20 30 BDEDLO CO[C@@H](C)CNc1cc(CC#N)cc[nH+]1 ZINC001158808166 971468147 /nfs/dbraw/zinc/46/81/47/971468147.db2.gz NZKUBEBDFAWEQH-VIFPVBQESA-N 1 2 205.261 1.594 20 30 BDEDLO COC(=O)C1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001257867364 971509016 /nfs/dbraw/zinc/50/90/16/971509016.db2.gz FLMDLEIVOCOBRF-KPPDAEKUSA-N 1 2 224.304 1.562 20 30 BDEDLO COC(=O)C1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001257867364 971509020 /nfs/dbraw/zinc/50/90/20/971509020.db2.gz FLMDLEIVOCOBRF-KPPDAEKUSA-N 1 2 224.304 1.562 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170719034 971646853 /nfs/dbraw/zinc/64/68/53/971646853.db2.gz BUERXDULJOKSOG-JXUBOQSCSA-N 1 2 243.372 1.482 20 30 BDEDLO N#CC1([NH2+][C@@H]2CCCOCC2)CCCC1 ZINC001170789384 971827419 /nfs/dbraw/zinc/82/74/19/971827419.db2.gz DGADGGIAMZQJGD-LLVKDONJSA-N 1 2 208.305 1.981 20 30 BDEDLO C=C[C@@H](O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001136498597 972191467 /nfs/dbraw/zinc/19/14/67/972191467.db2.gz UFBOSXQZGODMPK-SNVBAGLBSA-N 1 2 231.255 1.128 20 30 BDEDLO COC(=O)Cc1ccc(NCCCS)[nH+]c1 ZINC001170999893 972225644 /nfs/dbraw/zinc/22/56/44/972225644.db2.gz RRXWWXFCMOUEPD-UHFFFAOYSA-N 1 2 240.328 1.529 20 30 BDEDLO N#CCc1ccc(NCCCS)[nH+]c1 ZINC001170999489 972222930 /nfs/dbraw/zinc/22/29/30/972222930.db2.gz GRTHUBITXFYVCG-UHFFFAOYSA-N 1 2 207.302 1.879 20 30 BDEDLO CC(C)NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000120358568 957096124 /nfs/dbraw/zinc/09/61/24/957096124.db2.gz AKICDKSJSMGATH-UHFFFAOYSA-N 1 2 249.314 1.043 20 30 BDEDLO CC[C@@H](CCC(=O)OC)C[N@@H+]1CCC[C@H]1C#N ZINC001208779500 957162929 /nfs/dbraw/zinc/16/29/29/957162929.db2.gz JMGJFKOJFSJLBQ-RYUDHWBXSA-N 1 2 238.331 1.954 20 30 BDEDLO CC[C@@H](CCC(=O)OC)C[N@H+]1CCC[C@H]1C#N ZINC001208779500 957162936 /nfs/dbraw/zinc/16/29/36/957162936.db2.gz JMGJFKOJFSJLBQ-RYUDHWBXSA-N 1 2 238.331 1.954 20 30 BDEDLO N#CCc1cc[nH+]c(N2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001167211426 957544817 /nfs/dbraw/zinc/54/48/17/957544817.db2.gz AJAYLPQCSFLNPJ-CHWSQXEVSA-N 1 2 243.310 1.763 20 30 BDEDLO CN1C[C@H](Nc2[nH+]cccc2CC#N)CCC1=O ZINC001167235033 957567871 /nfs/dbraw/zinc/56/78/71/957567871.db2.gz UVQUFIWDYQBBRI-LLVKDONJSA-N 1 2 244.298 1.180 20 30 BDEDLO Nc1ccccc1C(NO)=[NH+]c1ccnnc1 ZINC001209960586 957583837 /nfs/dbraw/zinc/58/38/37/957583837.db2.gz HHVUVWHSBGKNFM-UHFFFAOYSA-N 1 2 229.243 1.116 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000316653171 972286884 /nfs/dbraw/zinc/28/68/84/972286884.db2.gz WBYDWJCYHKBHQH-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000316653171 972286890 /nfs/dbraw/zinc/28/68/90/972286890.db2.gz WBYDWJCYHKBHQH-SECBINFHSA-N 1 2 222.292 1.257 20 30 BDEDLO C=C1CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000706472480 957880612 /nfs/dbraw/zinc/88/06/12/957880612.db2.gz CIJLAIHRTWGIPY-UHFFFAOYSA-N 1 2 220.276 1.224 20 30 BDEDLO C=C1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000706472480 957880599 /nfs/dbraw/zinc/88/05/99/957880599.db2.gz CIJLAIHRTWGIPY-UHFFFAOYSA-N 1 2 220.276 1.224 20 30 BDEDLO N#CCc1nccnc1NCc1cc[nH+]c(N)c1 ZINC001167613388 959061792 /nfs/dbraw/zinc/06/17/92/959061792.db2.gz KAQQCUXZGCHKTJ-UHFFFAOYSA-N 1 2 240.270 1.132 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000692389623 959164905 /nfs/dbraw/zinc/16/49/05/959164905.db2.gz KYLLLXCEHSOUMR-GFCCVEGCSA-N 1 2 231.299 1.145 20 30 BDEDLO CC[C@H](C#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692550969 960289461 /nfs/dbraw/zinc/28/94/61/960289461.db2.gz MZIKCKJRYDQKRV-SNVBAGLBSA-N 1 2 234.303 1.284 20 30 BDEDLO O=C1C=C2C[N@@H+](Cc3cn[nH]c3)CC[C@H]2S1 ZINC001203088544 960831626 /nfs/dbraw/zinc/83/16/26/960831626.db2.gz HGHRARVHONUHDW-SNVBAGLBSA-N 1 2 235.312 1.184 20 30 BDEDLO O=C1C=C2C[N@H+](Cc3cn[nH]c3)CC[C@H]2S1 ZINC001203088544 960831634 /nfs/dbraw/zinc/83/16/34/960831634.db2.gz HGHRARVHONUHDW-SNVBAGLBSA-N 1 2 235.312 1.184 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cocn1 ZINC001141129713 960876659 /nfs/dbraw/zinc/87/66/59/960876659.db2.gz PLOAZJPZUGKJBV-WLLOZRIZSA-N 1 2 217.272 1.941 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cocn1 ZINC001141129713 960876667 /nfs/dbraw/zinc/87/66/67/960876667.db2.gz PLOAZJPZUGKJBV-WLLOZRIZSA-N 1 2 217.272 1.941 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(C(F)(F)F)nn1 ZINC001141495747 961083855 /nfs/dbraw/zinc/08/38/55/961083855.db2.gz GNOODNWMLYPIAY-UHFFFAOYSA-N 1 2 229.205 1.560 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(C(F)(F)F)nn1 ZINC001141495747 961083871 /nfs/dbraw/zinc/08/38/71/961083871.db2.gz GNOODNWMLYPIAY-UHFFFAOYSA-N 1 2 229.205 1.560 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn2c(n1)COCC2 ZINC001141535250 961096353 /nfs/dbraw/zinc/09/63/53/961096353.db2.gz VKZSJSVIRWXWSG-UHFFFAOYSA-N 1 2 207.277 1.031 20 30 BDEDLO C=CC[N@H+](C)Cc1cn2c(n1)COCC2 ZINC001141535250 961096359 /nfs/dbraw/zinc/09/63/59/961096359.db2.gz VKZSJSVIRWXWSG-UHFFFAOYSA-N 1 2 207.277 1.031 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CCC(F)F)C1 ZINC001268342603 961627611 /nfs/dbraw/zinc/62/76/11/961627611.db2.gz FGWIESKJVVHNRL-UHFFFAOYSA-N 1 2 218.247 1.018 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccn2ccnc12 ZINC001142959972 961856238 /nfs/dbraw/zinc/85/62/38/961856238.db2.gz FHXPLWVANNLBQT-UHFFFAOYSA-N 1 2 223.279 1.403 20 30 BDEDLO CC#CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001152939402 962499824 /nfs/dbraw/zinc/49/98/24/962499824.db2.gz RXLTZLGKDPBZBF-UHFFFAOYSA-N 1 2 227.267 1.396 20 30 BDEDLO C=CCCCNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156978996 963505869 /nfs/dbraw/zinc/50/58/69/963505869.db2.gz IMENSJBKNODOAI-UHFFFAOYSA-N 1 2 244.298 1.841 20 30 BDEDLO C=C(C)C(=O)OCCNc1ccc(N(C)C)c[nH+]1 ZINC001168073051 963605416 /nfs/dbraw/zinc/60/54/16/963605416.db2.gz ACQFXGILFXWMTN-UHFFFAOYSA-N 1 2 249.314 1.679 20 30 BDEDLO CCN(c1ncc(F)cc1C#N)C1C[NH+](C)C1 ZINC001157455752 963615147 /nfs/dbraw/zinc/61/51/47/963615147.db2.gz SALKBUANBPGTGL-UHFFFAOYSA-N 1 2 234.278 1.233 20 30 BDEDLO C#CCN(CC#C)c1nc(C)[nH+]c2c1CCC2 ZINC001157562216 963664158 /nfs/dbraw/zinc/66/41/58/963664158.db2.gz GRSRQWLIEKDOLR-UHFFFAOYSA-N 1 2 225.295 1.347 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001158733720 963908336 /nfs/dbraw/zinc/90/83/36/963908336.db2.gz MVMBZNYPSCWATR-TUAOUCFPSA-N 1 2 249.314 1.294 20 30 BDEDLO CC1(C)OC[C@@H](CNc2cc(CC#N)cc[nH+]2)O1 ZINC001158924559 963958208 /nfs/dbraw/zinc/95/82/08/963958208.db2.gz ZFTYZZQBVMPYEW-LLVKDONJSA-N 1 2 247.298 1.711 20 30 BDEDLO C#Cc1cccc(C[NH+]2CC3(C2)CS(=O)C3)c1 ZINC001231657297 965273676 /nfs/dbraw/zinc/27/36/76/965273676.db2.gz ILRDGOWDXZOJIJ-UHFFFAOYSA-N 1 2 245.347 1.232 20 30 BDEDLO C=C(CC(C)=O)Nc1[nH+]ncc2c1OCCN2C ZINC001163737283 965552518 /nfs/dbraw/zinc/55/25/18/965552518.db2.gz UGRWYRFIGXSSDJ-VURMDHGXSA-N 1 2 248.286 1.210 20 30 BDEDLO CC(=O)C=C(C)Nc1[nH+]ncc2c1OCCN2C ZINC001163737283 965552523 /nfs/dbraw/zinc/55/25/23/965552523.db2.gz UGRWYRFIGXSSDJ-VURMDHGXSA-N 1 2 248.286 1.210 20 30 BDEDLO N#CCc1cc[nH+]c(N2C[C@H](F)C[C@H](CO)C2)c1 ZINC001164043514 965714861 /nfs/dbraw/zinc/71/48/61/965714861.db2.gz MXVXMDXBUZULPZ-NWDGAFQWSA-N 1 2 249.289 1.304 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc2ccsc2cn1 ZINC001164651411 965936777 /nfs/dbraw/zinc/93/67/77/965936777.db2.gz GDTRUXCXUFEQHS-SNVBAGLBSA-N 1 2 244.323 1.598 20 30 BDEDLO C[C@H](CCO)Nc1[nH+]cccc1CC#N ZINC001165858780 966171536 /nfs/dbraw/zinc/17/15/36/966171536.db2.gz OMHROAGIEPMLOJ-SECBINFHSA-N 1 2 205.261 1.330 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC(N3CC(F)C3)C2)cc1 ZINC001203900146 966815937 /nfs/dbraw/zinc/81/59/37/966815937.db2.gz CLUXFPVMWYOPGF-UHFFFAOYSA-N 1 2 245.301 1.396 20 30 BDEDLO CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203952220 966826954 /nfs/dbraw/zinc/82/69/54/966826954.db2.gz UKEAJEGBSYXCRC-ZDUSSCGKSA-N 1 2 244.294 1.957 20 30 BDEDLO CC(=O)Oc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203952220 966826957 /nfs/dbraw/zinc/82/69/57/966826957.db2.gz UKEAJEGBSYXCRC-ZDUSSCGKSA-N 1 2 244.294 1.957 20 30 BDEDLO N#CCC[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001204012030 966851085 /nfs/dbraw/zinc/85/10/85/966851085.db2.gz OSSUNCCBGFWHQK-UHFFFAOYSA-N 1 2 227.271 1.475 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC001205243419 966971512 /nfs/dbraw/zinc/97/15/12/966971512.db2.gz GHSUJNMYJZKIPJ-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO C#CC[NH+]1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC001205243419 966971517 /nfs/dbraw/zinc/97/15/17/966971517.db2.gz GHSUJNMYJZKIPJ-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO COC(=O)c1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC001204637472 967110836 /nfs/dbraw/zinc/11/08/36/967110836.db2.gz PNLWNDRRUYPDBD-UHFFFAOYSA-N 1 2 244.294 1.819 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C)c(OC)nc1OC ZINC001250338915 967729870 /nfs/dbraw/zinc/72/98/70/967729870.db2.gz RDDFLTFHIVGWAD-UHFFFAOYSA-N 1 2 234.299 1.472 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C)c(OC)nc1OC ZINC001250338915 967729883 /nfs/dbraw/zinc/72/98/83/967729883.db2.gz RDDFLTFHIVGWAD-UHFFFAOYSA-N 1 2 234.299 1.472 20 30 BDEDLO N#CC1(C(=O)Nc2cc[nH+]c3c2CCC3)CC1 ZINC001143171813 967750980 /nfs/dbraw/zinc/75/09/80/967750980.db2.gz FVTKWMGLSMRBNU-UHFFFAOYSA-N 1 2 227.267 1.234 20 30 BDEDLO CCNC(=O)C[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000163575953 967815888 /nfs/dbraw/zinc/81/58/88/967815888.db2.gz IIRMGLWGDFDVQH-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CCNC(=O)C[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000163575953 967815890 /nfs/dbraw/zinc/81/58/90/967815890.db2.gz IIRMGLWGDFDVQH-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CC(C)c1[nH]cc(CNc2nnccc2C#N)[nH+]1 ZINC001164225709 968191477 /nfs/dbraw/zinc/19/14/77/968191477.db2.gz JNPDWIDQBWDNGF-UHFFFAOYSA-N 1 2 242.286 1.807 20 30 BDEDLO CC(C)c1[nH]c(CNc2nnccc2C#N)c[nH+]1 ZINC001164225709 968191484 /nfs/dbraw/zinc/19/14/84/968191484.db2.gz JNPDWIDQBWDNGF-UHFFFAOYSA-N 1 2 242.286 1.807 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1nnc(C)s1 ZINC001120040505 968514830 /nfs/dbraw/zinc/51/48/30/968514830.db2.gz ZHZDQYRMPVFLPX-QMMMGPOBSA-N 1 2 213.306 1.137 20 30 BDEDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001207109630 968634016 /nfs/dbraw/zinc/63/40/16/968634016.db2.gz PATLQSQCOCDJNJ-KBPBESRZSA-N 1 2 245.326 1.650 20 30 BDEDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001207109630 968634024 /nfs/dbraw/zinc/63/40/24/968634024.db2.gz PATLQSQCOCDJNJ-KBPBESRZSA-N 1 2 245.326 1.650 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001252546792 968784850 /nfs/dbraw/zinc/78/48/50/968784850.db2.gz CDBRSINRZCPZRB-VHSXEESVSA-N 1 2 237.265 1.993 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252556633 968800424 /nfs/dbraw/zinc/80/04/24/968800424.db2.gz FFGWPIDFBHUJHY-KGLIPLIRSA-N 1 2 248.326 1.392 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252556633 968800428 /nfs/dbraw/zinc/80/04/28/968800428.db2.gz FFGWPIDFBHUJHY-KGLIPLIRSA-N 1 2 248.326 1.392 20 30 BDEDLO C=CCC[C@H](O)C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001252593939 968854467 /nfs/dbraw/zinc/85/44/67/968854467.db2.gz PHVLQFRAPUQHPK-IVZWLZJFSA-N 1 2 205.248 1.305 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252620972 968884185 /nfs/dbraw/zinc/88/41/85/968884185.db2.gz STQAHTAHRODJDQ-QWRGUYRKSA-N 1 2 229.320 1.245 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC001253455320 969182100 /nfs/dbraw/zinc/18/21/00/969182100.db2.gz FULMTZBTSGGTEB-QWRGUYRKSA-N 1 2 226.320 1.008 20 30 BDEDLO CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC001253455320 969182104 /nfs/dbraw/zinc/18/21/04/969182104.db2.gz FULMTZBTSGGTEB-QWRGUYRKSA-N 1 2 226.320 1.008 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001253585990 969269629 /nfs/dbraw/zinc/26/96/29/969269629.db2.gz IBQYZYIZPWDPJF-STQMWFEESA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001253585990 969269633 /nfs/dbraw/zinc/26/96/33/969269633.db2.gz IBQYZYIZPWDPJF-STQMWFEESA-N 1 2 234.299 1.002 20 30 BDEDLO N#CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168978291 969298430 /nfs/dbraw/zinc/29/84/30/969298430.db2.gz QSQCYGSEWDCLDS-QWRGUYRKSA-N 1 2 237.303 1.858 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC001253745288 969365053 /nfs/dbraw/zinc/36/50/53/969365053.db2.gz KKYZENRPJJHILL-UWVGGRQHSA-N 1 2 229.320 1.101 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209553090 969538704 /nfs/dbraw/zinc/53/87/04/969538704.db2.gz MRTCTUWNWKMVRH-LLVKDONJSA-N 1 2 249.339 1.492 20 30 BDEDLO Cc1n[nH]cc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209553090 969538714 /nfs/dbraw/zinc/53/87/14/969538714.db2.gz MRTCTUWNWKMVRH-LLVKDONJSA-N 1 2 249.339 1.492 20 30 BDEDLO Cc1cc2[nH]ccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320092 969635715 /nfs/dbraw/zinc/63/57/15/969635715.db2.gz QJBNXPQCWQLGBX-JTQLQIEISA-N 1 2 241.298 1.173 20 30 BDEDLO Cc1noc(C2([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC001254647285 969760915 /nfs/dbraw/zinc/76/09/15/969760915.db2.gz BSZUWRBRHZPDPS-NXEZZACHSA-N 1 2 232.287 1.649 20 30 BDEDLO Cc1cnc(NC[C@@H]2COCC[N@H+]2C)cc1C#N ZINC001169652179 969799188 /nfs/dbraw/zinc/79/91/88/969799188.db2.gz DTVNEUDXBMKLDA-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cnc(NC[C@@H]2COCC[N@@H+]2C)cc1C#N ZINC001169652179 969799199 /nfs/dbraw/zinc/79/91/99/969799199.db2.gz DTVNEUDXBMKLDA-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@@H]1COCC[N@H+]1C ZINC001169652251 969799719 /nfs/dbraw/zinc/79/97/19/969799719.db2.gz XEUJCRVIXDHUMV-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1c(C#N)ccnc1NC[C@@H]1COCC[N@@H+]1C ZINC001169652251 969799727 /nfs/dbraw/zinc/79/97/27/969799727.db2.gz XEUJCRVIXDHUMV-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO C#C[C@@H](CCC)OCC[NH+]1CCOCC1 ZINC001210207422 969817823 /nfs/dbraw/zinc/81/78/23/969817823.db2.gz OOFQWGMUUUDVRC-LBPRGKRZSA-N 1 2 211.305 1.137 20 30 BDEDLO C#C[C@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210208595 969831781 /nfs/dbraw/zinc/83/17/81/969831781.db2.gz UOMWGPSZZJLRSU-HNNXBMFYSA-N 1 2 245.322 1.710 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]cccc1-n1cccc1 ZINC001169779639 969852681 /nfs/dbraw/zinc/85/26/81/969852681.db2.gz QDQFMCIHHDXFRB-NSHDSACASA-N 1 2 229.283 1.831 20 30 BDEDLO C=C[C@@H](CO)Nc1[nH+]cnc2[nH]cc(F)c21 ZINC001169780278 969853271 /nfs/dbraw/zinc/85/32/71/969853271.db2.gz QGNFYJWZAUHVPH-LURJTMIESA-N 1 2 222.223 1.056 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001255152646 969955841 /nfs/dbraw/zinc/95/58/41/969955841.db2.gz ZSZYLJWPWGBKFJ-STQMWFEESA-N 1 2 245.326 1.365 20 30 BDEDLO CC[C@H](CC#N)N1CCn2c[nH+]cc2C1 ZINC001255172472 969986483 /nfs/dbraw/zinc/98/64/83/969986483.db2.gz ASEHJXYFJAHDAM-SNVBAGLBSA-N 1 2 204.277 1.391 20 30 BDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H](CC)CC#N ZINC001255177039 969993832 /nfs/dbraw/zinc/99/38/32/969993832.db2.gz LGPOXNXFPSHQBR-MNOVXSKESA-N 1 2 223.320 1.279 20 30 BDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1[C@H](CC)CC#N ZINC001255177039 969993836 /nfs/dbraw/zinc/99/38/36/969993836.db2.gz LGPOXNXFPSHQBR-MNOVXSKESA-N 1 2 223.320 1.279 20 30 BDEDLO O=C1C=C2C[N@H+]([C@H]3CCSC3)CCC2S1 ZINC001255283814 970043305 /nfs/dbraw/zinc/04/33/05/970043305.db2.gz CDIVEVZIZVGIFH-VHSXEESVSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@H]3CCSC3)CCC2S1 ZINC001255283814 970043312 /nfs/dbraw/zinc/04/33/12/970043312.db2.gz CDIVEVZIZVGIFH-VHSXEESVSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@H+]([C@H]3CCSC3)CC[C@H]2S1 ZINC001255283814 970043321 /nfs/dbraw/zinc/04/33/21/970043321.db2.gz CDIVEVZIZVGIFH-VHSXEESVSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@H]3CCSC3)CC[C@H]2S1 ZINC001255283814 970043336 /nfs/dbraw/zinc/04/33/36/970043336.db2.gz CDIVEVZIZVGIFH-VHSXEESVSA-N 1 2 241.381 1.766 20 30 BDEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112898276 970208821 /nfs/dbraw/zinc/20/88/21/970208821.db2.gz NFCVSPGIYWHRCX-UHFFFAOYSA-N 1 2 248.370 1.756 20 30 BDEDLO COC(=O)c1cc(-c2c[nH+]cn2C)ccc1C#N ZINC001243070839 970268766 /nfs/dbraw/zinc/26/87/66/970268766.db2.gz ZRRXGJCXVGPSHP-UHFFFAOYSA-N 1 2 241.250 1.745 20 30 BDEDLO CCOc1cc[nH+]cc1Nc1ccncc1C#N ZINC001214004799 970409731 /nfs/dbraw/zinc/40/97/31/970409731.db2.gz SWHAEMOIQWRGNT-UHFFFAOYSA-N 1 2 240.266 1.912 20 30 BDEDLO CC[C@@H]1C[C@H]([NH+]2CC(C)(C#N)C2)CCO1 ZINC001170205061 970569178 /nfs/dbraw/zinc/56/91/78/970569178.db2.gz UEORMYSESDCQIL-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](C#N)C2)C1 ZINC001256037806 970621542 /nfs/dbraw/zinc/62/15/42/970621542.db2.gz JIKMPUYQHATPKB-QWRGUYRKSA-N 1 2 237.303 1.063 20 30 BDEDLO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@H](C#N)C2)C1 ZINC001256037806 970621548 /nfs/dbraw/zinc/62/15/48/970621548.db2.gz JIKMPUYQHATPKB-QWRGUYRKSA-N 1 2 237.303 1.063 20 30 BDEDLO CN(C)c1ccc(Nc2cncc(C#N)n2)c[nH+]1 ZINC000401313488 970676867 /nfs/dbraw/zinc/67/68/67/970676867.db2.gz WXQHMVIUMRYTPQ-UHFFFAOYSA-N 1 2 240.270 1.553 20 30 BDEDLO C[N@H+](Cc1cccnc1)Cc1ccc(C#N)cn1 ZINC001144150071 972630071 /nfs/dbraw/zinc/63/00/71/972630071.db2.gz STXQHQUQFUFGFP-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cn1 ZINC001144150071 972630076 /nfs/dbraw/zinc/63/00/76/972630076.db2.gz STXQHQUQFUFGFP-UHFFFAOYSA-N 1 2 238.294 1.980 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ncoc1C(C)C ZINC001327914143 972808212 /nfs/dbraw/zinc/80/82/12/972808212.db2.gz UXQMFPUFRIMVGR-SECBINFHSA-N 1 2 210.277 1.435 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144467219 972832910 /nfs/dbraw/zinc/83/29/10/972832910.db2.gz AEECOBCKAIMLSV-UHFFFAOYSA-N 1 2 208.236 1.294 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144467219 972832912 /nfs/dbraw/zinc/83/29/12/972832912.db2.gz AEECOBCKAIMLSV-UHFFFAOYSA-N 1 2 208.236 1.294 20 30 BDEDLO C=C[C@@H](OCc1cc(C)[nH+]c(C)c1)C(=O)OC ZINC001223423857 973068098 /nfs/dbraw/zinc/06/80/98/973068098.db2.gz DYHJHWHBPZHYQE-GFCCVEGCSA-N 1 2 235.283 1.943 20 30 BDEDLO N#CCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001329104197 973481515 /nfs/dbraw/zinc/48/15/15/973481515.db2.gz CYSJIWYPRZFUDI-SNVBAGLBSA-N 1 2 232.287 1.008 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)OC ZINC001329391223 973719761 /nfs/dbraw/zinc/71/97/61/973719761.db2.gz BRVMWFRCBJLUND-ZJUUUORDSA-N 1 2 248.754 1.210 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)OC ZINC001329391223 973719775 /nfs/dbraw/zinc/71/97/75/973719775.db2.gz BRVMWFRCBJLUND-ZJUUUORDSA-N 1 2 248.754 1.210 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C2CCC2)nn1)CC1CC1 ZINC001330791318 974473761 /nfs/dbraw/zinc/47/37/61/974473761.db2.gz UMCGMZLDBDTVNC-UHFFFAOYSA-N 1 2 244.342 1.848 20 30 BDEDLO C#CC[N@H+](Cc1cn(C2CCC2)nn1)CC1CC1 ZINC001330791318 974473767 /nfs/dbraw/zinc/47/37/67/974473767.db2.gz UMCGMZLDBDTVNC-UHFFFAOYSA-N 1 2 244.342 1.848 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172360303 974628798 /nfs/dbraw/zinc/62/87/98/974628798.db2.gz RPOYVBRGTBUXNN-YTWAJWBKSA-N 1 2 245.388 1.872 20 30 BDEDLO N#CCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001331479323 974736301 /nfs/dbraw/zinc/73/63/01/974736301.db2.gz SWBCIYJYSQTSPA-SNVBAGLBSA-N 1 2 232.287 1.528 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CCCC#N ZINC001172480352 974779307 /nfs/dbraw/zinc/77/93/07/974779307.db2.gz SELMXODOBLXOIC-BDAKNGLRSA-N 1 2 230.333 1.130 20 30 BDEDLO CC(C)[NH+]1CC(Oc2cncc(C#N)c2)C1 ZINC001226685372 975021542 /nfs/dbraw/zinc/02/15/42/975021542.db2.gz ZHKKINQJCOBUQC-UHFFFAOYSA-N 1 2 217.272 1.425 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](CC)C1)C(=O)OC ZINC001173269508 975138744 /nfs/dbraw/zinc/13/87/44/975138744.db2.gz WIMUQRNUFIBVKL-TUAOUCFPSA-N 1 2 223.316 1.720 20 30 BDEDLO Cc1cccc(OC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001226919956 975150789 /nfs/dbraw/zinc/15/07/89/975150789.db2.gz HRWGWJINSVVIEW-LBPRGKRZSA-N 1 2 246.310 1.576 20 30 BDEDLO Cc1cccc(OC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001226919956 975150796 /nfs/dbraw/zinc/15/07/96/975150796.db2.gz HRWGWJINSVVIEW-LBPRGKRZSA-N 1 2 246.310 1.576 20 30 BDEDLO C#CC1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001332508111 975185123 /nfs/dbraw/zinc/18/51/23/975185123.db2.gz ZYFRRWBFBLBHDS-NSHDSACASA-N 1 2 231.299 1.316 20 30 BDEDLO N#CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001332671201 975244106 /nfs/dbraw/zinc/24/41/06/975244106.db2.gz MOWBEDJQYCMENW-JTQLQIEISA-N 1 2 232.287 1.104 20 30 BDEDLO N#CCC1CCC([NH+]2CC(C#N)C2)CC1 ZINC001173332859 975282070 /nfs/dbraw/zinc/28/20/70/975282070.db2.gz VCPHOLOGLLKRBQ-UHFFFAOYSA-N 1 2 203.289 1.914 20 30 BDEDLO CC1(C#N)C[NH+]([C@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173757429 975552292 /nfs/dbraw/zinc/55/22/92/975552292.db2.gz WQMRNWMIDWIGDB-WDEREUQCSA-N 1 2 246.318 1.002 20 30 BDEDLO N#Cc1ccc(CO[NH+]=C(N)CCO)s1 ZINC001334033877 976230427 /nfs/dbraw/zinc/23/04/27/976230427.db2.gz MJUXDYUSAACEPE-UHFFFAOYSA-N 1 2 225.273 1.001 20 30 BDEDLO Cc1nn(C)cc1[NH+]=C(NO)c1ccccc1N ZINC001174335685 976555633 /nfs/dbraw/zinc/55/56/33/976555633.db2.gz BQYFAFNXTGXIBV-UHFFFAOYSA-N 1 2 245.286 1.368 20 30 BDEDLO COc1cncc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC001335502298 977105814 /nfs/dbraw/zinc/10/58/14/977105814.db2.gz YSPPWNBWWABWFX-NSHDSACASA-N 1 2 244.298 1.623 20 30 BDEDLO C#Cc1cc(Nc2ccc(O)cc2)cc[nH+]1 ZINC001175038938 977228552 /nfs/dbraw/zinc/22/85/52/977228552.db2.gz CYWBVAUSKABBDR-UHFFFAOYSA-N 1 2 210.236 1.934 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2ccco2)C1 ZINC001277555723 977714575 /nfs/dbraw/zinc/71/45/75/977714575.db2.gz UVBHCWBUEULLJN-UHFFFAOYSA-N 1 2 248.326 1.541 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cnc(OC)cn1 ZINC001231937099 977805367 /nfs/dbraw/zinc/80/53/67/977805367.db2.gz WSQCWGAWWCRPTQ-UHFFFAOYSA-N 1 2 219.288 1.659 20 30 BDEDLO C=CCC[C@@H]1CCCN1c1nc(C)[nH+]c(N)n1 ZINC001336769151 977939920 /nfs/dbraw/zinc/93/99/20/977939920.db2.gz VZFVSPSZEQEUGD-SNVBAGLBSA-N 1 2 233.319 1.697 20 30 BDEDLO Cc1[nH]c(CN2CCC(C#N)CC2)c[nH+]1 ZINC001232458088 978086984 /nfs/dbraw/zinc/08/69/84/978086984.db2.gz CVWVLLJZNDVECK-UHFFFAOYSA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1ncc(C#N)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176827313 978190936 /nfs/dbraw/zinc/19/09/36/978190936.db2.gz HWXQNOBJIHUIGI-UHFFFAOYSA-N 1 2 241.254 1.166 20 30 BDEDLO C[C@H]1COCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673633 978230634 /nfs/dbraw/zinc/23/06/34/978230634.db2.gz KBKGVXZZOLPRDQ-LLVKDONJSA-N 1 2 246.310 1.732 20 30 BDEDLO C[C@H]1COCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673633 978230649 /nfs/dbraw/zinc/23/06/49/978230649.db2.gz KBKGVXZZOLPRDQ-LLVKDONJSA-N 1 2 246.310 1.732 20 30 BDEDLO C[C@H]1C[NH+](Cc2cc(C#N)ccc2O)C[C@H](C)O1 ZINC001232673962 978235071 /nfs/dbraw/zinc/23/50/71/978235071.db2.gz OSQIGWNQMWPYGE-QWRGUYRKSA-N 1 2 246.310 1.873 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC001232674040 978236406 /nfs/dbraw/zinc/23/64/06/978236406.db2.gz QNCXLKFXUOPISE-CYBMUJFWSA-N 1 2 246.310 1.611 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC001232674040 978236419 /nfs/dbraw/zinc/23/64/19/978236419.db2.gz QNCXLKFXUOPISE-CYBMUJFWSA-N 1 2 246.310 1.611 20 30 BDEDLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232677513 978240425 /nfs/dbraw/zinc/24/04/25/978240425.db2.gz FBLNKYPJAJNAEV-GXFFZTMASA-N 1 2 246.310 1.609 20 30 BDEDLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232677513 978240434 /nfs/dbraw/zinc/24/04/34/978240434.db2.gz FBLNKYPJAJNAEV-GXFFZTMASA-N 1 2 246.310 1.609 20 30 BDEDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678625 978244561 /nfs/dbraw/zinc/24/45/61/978244561.db2.gz KQJVYDYEMGPXTK-CYBMUJFWSA-N 1 2 246.310 1.875 20 30 BDEDLO CC[C@@H]1COCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678625 978244575 /nfs/dbraw/zinc/24/45/75/978244575.db2.gz KQJVYDYEMGPXTK-CYBMUJFWSA-N 1 2 246.310 1.875 20 30 BDEDLO N#Cc1ccc(O)c(C[NH+]2CCC(CO)CC2)c1 ZINC001232674585 978245463 /nfs/dbraw/zinc/24/54/63/978245463.db2.gz BKAZMMRRNZJDRV-UHFFFAOYSA-N 1 2 246.310 1.468 20 30 BDEDLO N#Cc1ccc(O)c(C[NH+]2CC3(CSC3)C2)c1 ZINC001232677374 978246251 /nfs/dbraw/zinc/24/62/51/978246251.db2.gz BTGPTICBNRFEFX-UHFFFAOYSA-N 1 2 246.335 1.813 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CF)n1 ZINC001232927272 978340149 /nfs/dbraw/zinc/34/01/49/978340149.db2.gz WQNNRVFYAPUNHU-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CF)n1 ZINC001232927272 978340163 /nfs/dbraw/zinc/34/01/63/978340163.db2.gz WQNNRVFYAPUNHU-GFCCVEGCSA-N 1 2 219.263 1.887 20 30 BDEDLO N#Cc1cccc(C[NH+]2CC3(CSC3)C2)n1 ZINC001232926914 978341326 /nfs/dbraw/zinc/34/13/26/978341326.db2.gz INBAGAFMPMNOHI-UHFFFAOYSA-N 1 2 231.324 1.502 20 30 BDEDLO C[N@H+](CCC1OCCO1)Cc1[nH]ccc1C#N ZINC001233048049 978434777 /nfs/dbraw/zinc/43/47/77/978434777.db2.gz TWWQLTLIUDEFOQ-UHFFFAOYSA-N 1 2 235.287 1.081 20 30 BDEDLO C[N@@H+](CCC1OCCO1)Cc1[nH]ccc1C#N ZINC001233048049 978434780 /nfs/dbraw/zinc/43/47/80/978434780.db2.gz TWWQLTLIUDEFOQ-UHFFFAOYSA-N 1 2 235.287 1.081 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100215 978469652 /nfs/dbraw/zinc/46/96/52/978469652.db2.gz CJOBLHSEIYXGOW-UHFFFAOYSA-N 1 2 245.301 1.828 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100215 978469654 /nfs/dbraw/zinc/46/96/54/978469654.db2.gz CJOBLHSEIYXGOW-UHFFFAOYSA-N 1 2 245.301 1.828 20 30 BDEDLO Cc1nc(C#N)c(NC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001177922274 978474340 /nfs/dbraw/zinc/47/43/40/978474340.db2.gz RBGWNGITCGGRGP-SSDOTTSWSA-N 1 2 245.242 1.251 20 30 BDEDLO N#C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001177995180 978495788 /nfs/dbraw/zinc/49/57/88/978495788.db2.gz UKQDLIMLGSMHDR-JTQLQIEISA-N 1 2 232.287 1.247 20 30 BDEDLO C[C@H](C#N)N(C)Cc1cccc2[nH+]ccn21 ZINC001233364066 978577325 /nfs/dbraw/zinc/57/73/25/978577325.db2.gz OMKMIIHUDFJFNK-SNVBAGLBSA-N 1 2 214.272 1.678 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCCO3)c(O)c1 ZINC001233383965 978595210 /nfs/dbraw/zinc/59/52/10/978595210.db2.gz BROCBQMPSNKUJQ-UHFFFAOYSA-N 1 2 244.294 1.629 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233383842 978595725 /nfs/dbraw/zinc/59/57/25/978595725.db2.gz YKQXJTYFAJSRGU-JTQLQIEISA-N 1 2 232.283 1.485 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233383842 978595728 /nfs/dbraw/zinc/59/57/28/978595728.db2.gz YKQXJTYFAJSRGU-JTQLQIEISA-N 1 2 232.283 1.485 20 30 BDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001234604338 978873253 /nfs/dbraw/zinc/87/32/53/978873253.db2.gz OJBAMORHXZILFK-GFCCVEGCSA-N 1 2 242.338 1.845 20 30 BDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001234604338 978873258 /nfs/dbraw/zinc/87/32/58/978873258.db2.gz OJBAMORHXZILFK-GFCCVEGCSA-N 1 2 242.338 1.845 20 30 BDEDLO CC(C)[NH+]1CC(Oc2ccccc2C=NO)C1 ZINC001234822482 978910380 /nfs/dbraw/zinc/91/03/80/978910380.db2.gz NBZNWZGSOZBBEH-UHFFFAOYSA-N 1 2 234.299 1.966 20 30 BDEDLO CCOC1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235511079 979060816 /nfs/dbraw/zinc/06/08/16/979060816.db2.gz GFPGMVNPHRZMKU-UHFFFAOYSA-N 1 2 230.311 1.973 20 30 BDEDLO Cc1c[nH+]cc(C)c1NC(=O)CC1(C#N)CC1 ZINC001340810094 979117220 /nfs/dbraw/zinc/11/72/20/979117220.db2.gz HYKMNTDHRHEOGF-UHFFFAOYSA-N 1 2 229.283 1.753 20 30 BDEDLO C#CC(C)(C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001182642070 979599066 /nfs/dbraw/zinc/59/90/66/979599066.db2.gz YJKHABAGUAUMDJ-UHFFFAOYSA-N 1 2 245.326 1.884 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC001342228225 979716657 /nfs/dbraw/zinc/71/66/57/979716657.db2.gz IMXBLMNABUBPFK-LLVKDONJSA-N 1 2 241.331 1.605 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC001342228225 979716670 /nfs/dbraw/zinc/71/66/70/979716670.db2.gz IMXBLMNABUBPFK-LLVKDONJSA-N 1 2 241.331 1.605 20 30 BDEDLO C#C[C@@H](CO)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC001183104234 979739220 /nfs/dbraw/zinc/73/92/20/979739220.db2.gz SMCYIWLERCNAMW-VIFPVBQESA-N 1 2 238.356 1.524 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC001237749186 980046434 /nfs/dbraw/zinc/04/64/34/980046434.db2.gz NNGSLUZPVOPQIC-LLVKDONJSA-N 1 2 228.295 1.967 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC001237749186 980046446 /nfs/dbraw/zinc/04/64/46/980046446.db2.gz NNGSLUZPVOPQIC-LLVKDONJSA-N 1 2 228.295 1.967 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1CCCC12CC2)C(=O)OC ZINC001347396534 981059510 /nfs/dbraw/zinc/05/95/10/981059510.db2.gz XVZKZMCXRVDSQW-GHMZBOCLSA-N 1 2 221.300 1.474 20 30 BDEDLO Cc1[nH]c(CNc2cc(C#N)cnn2)[nH+]c1C ZINC001348312286 981331234 /nfs/dbraw/zinc/33/12/34/981331234.db2.gz QMPSGFFTPNMQTK-UHFFFAOYSA-N 1 2 228.259 1.300 20 30 BDEDLO C=CCOC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001194309713 981645559 /nfs/dbraw/zinc/64/55/59/981645559.db2.gz BLOIQNWYKGQPRN-UHFFFAOYSA-N 1 2 235.287 1.843 20 30 BDEDLO C=CCOC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001194339571 981774883 /nfs/dbraw/zinc/77/48/83/981774883.db2.gz AXFBJQIVZMCBMW-SNVBAGLBSA-N 1 2 230.283 1.333 20 30 BDEDLO C=CCOC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001194339571 981774895 /nfs/dbraw/zinc/77/48/95/981774895.db2.gz AXFBJQIVZMCBMW-SNVBAGLBSA-N 1 2 230.283 1.333 20 30 BDEDLO C#C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001583539693 981820445 /nfs/dbraw/zinc/82/04/45/981820445.db2.gz ZQLQUDOLPUGNOJ-SECBINFHSA-N 1 2 227.267 1.394 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OC[C@H](C)CC)CC1 ZINC001194783752 981874778 /nfs/dbraw/zinc/87/47/78/981874778.db2.gz FBODNEMYCGSHQU-GFCCVEGCSA-N 1 2 240.347 1.973 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](C#N)C1 ZINC001352970956 982650162 /nfs/dbraw/zinc/65/01/62/982650162.db2.gz UVWBRPIXHWLRDN-LLVKDONJSA-N 1 2 246.314 1.115 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2=CC=CC2)CC1 ZINC001199693457 982992287 /nfs/dbraw/zinc/99/22/87/982992287.db2.gz OJSFAGCSPVEBMV-UHFFFAOYSA-N 1 2 218.300 1.203 20 30 BDEDLO CC(C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201467963 983237836 /nfs/dbraw/zinc/23/78/36/983237836.db2.gz CDYYJPYWEDSYOU-SNVBAGLBSA-N 1 2 211.330 1.917 20 30 BDEDLO CC(C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201467963 983237844 /nfs/dbraw/zinc/23/78/44/983237844.db2.gz CDYYJPYWEDSYOU-SNVBAGLBSA-N 1 2 211.330 1.917 20 30 BDEDLO CC(C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201467963 983237848 /nfs/dbraw/zinc/23/78/48/983237848.db2.gz CDYYJPYWEDSYOU-SNVBAGLBSA-N 1 2 211.330 1.917 20 30 BDEDLO CC(C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201467963 983237858 /nfs/dbraw/zinc/23/78/58/983237858.db2.gz CDYYJPYWEDSYOU-SNVBAGLBSA-N 1 2 211.330 1.917 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001588662519 983789745 /nfs/dbraw/zinc/78/97/45/983789745.db2.gz AZQCLWGTZJSSDN-NXEZZACHSA-N 1 2 235.287 1.228 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001588662519 983789747 /nfs/dbraw/zinc/78/97/47/983789747.db2.gz AZQCLWGTZJSSDN-NXEZZACHSA-N 1 2 235.287 1.228 20 30 BDEDLO C=C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001545727551 984133377 /nfs/dbraw/zinc/13/33/77/984133377.db2.gz RPDLGGYMKAHPHY-VIFPVBQESA-N 1 2 215.256 1.639 20 30 BDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031485 984241066 /nfs/dbraw/zinc/24/10/66/984241066.db2.gz RTDIDCWHIUFXSQ-LBPRGKRZSA-N 1 2 247.342 1.304 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001437910798 984361787 /nfs/dbraw/zinc/36/17/87/984361787.db2.gz QATCDSDKVIUAPD-SNVBAGLBSA-N 1 2 243.266 1.311 20 30 BDEDLO CON=CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001441143010 984470338 /nfs/dbraw/zinc/47/03/38/984470338.db2.gz BOJSSXYVYKMWEZ-UHFFFAOYSA-N 1 2 244.254 1.443 20 30 BDEDLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC001454720354 985044277 /nfs/dbraw/zinc/04/42/77/985044277.db2.gz WXVNDJFIGRIJER-GFCCVEGCSA-N 1 2 247.273 1.730 20 30 BDEDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC001454720354 985044296 /nfs/dbraw/zinc/04/42/96/985044296.db2.gz WXVNDJFIGRIJER-GFCCVEGCSA-N 1 2 247.273 1.730 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cocc2C)CC1 ZINC000949702100 985466301 /nfs/dbraw/zinc/46/63/01/985466301.db2.gz VLVMUUXZQXVHNO-UHFFFAOYSA-N 1 2 248.326 1.922 20 30 BDEDLO C#CC(C)(C)N(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC001459941938 985672264 /nfs/dbraw/zinc/67/22/64/985672264.db2.gz VSDYMQQGFPZCSC-UHFFFAOYSA-N 1 2 205.305 1.870 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC001459941938 985672280 /nfs/dbraw/zinc/67/22/80/985672280.db2.gz VSDYMQQGFPZCSC-UHFFFAOYSA-N 1 2 205.305 1.870 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC001459941938 985672290 /nfs/dbraw/zinc/67/22/90/985672290.db2.gz VSDYMQQGFPZCSC-UHFFFAOYSA-N 1 2 205.305 1.870 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc3ccnn32)C1 ZINC001138804696 985857581 /nfs/dbraw/zinc/85/75/81/985857581.db2.gz SKEMQUNUJDCGQP-UHFFFAOYSA-N 1 2 226.283 1.680 20 30 BDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC)C2 ZINC001096692624 986477255 /nfs/dbraw/zinc/47/72/55/986477255.db2.gz MOHIXBVAUSYVRK-MXWKQRLJSA-N 1 2 242.750 1.870 20 30 BDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC)C2 ZINC001096692624 986477276 /nfs/dbraw/zinc/47/72/76/986477276.db2.gz MOHIXBVAUSYVRK-MXWKQRLJSA-N 1 2 242.750 1.870 20 30 BDEDLO C=CCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097716380 986643076 /nfs/dbraw/zinc/64/30/76/986643076.db2.gz SOUXMZJTFZFKTG-JTQLQIEISA-N 1 2 248.330 1.668 20 30 BDEDLO N#C[C@H]1CC[C@@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001254660234 986709438 /nfs/dbraw/zinc/70/94/38/986709438.db2.gz GZQLIBHWTISSAG-VHSXEESVSA-N 1 2 229.274 1.219 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1cn(C2CCC2)nn1 ZINC001328060787 986745475 /nfs/dbraw/zinc/74/54/75/986745475.db2.gz JONLJVYCHTWGMP-SNVBAGLBSA-N 1 2 236.319 1.294 20 30 BDEDLO Cc1cc(C)c(C[N@@H+]2CC[C@H](C#N)C2)[nH]1 ZINC001137329534 986786000 /nfs/dbraw/zinc/78/60/00/986786000.db2.gz DTLMBUZXXZKQKV-LLVKDONJSA-N 1 2 203.289 1.977 20 30 BDEDLO Cc1cc(C)c(C[N@H+]2CC[C@H](C#N)C2)[nH]1 ZINC001137329534 986786012 /nfs/dbraw/zinc/78/60/12/986786012.db2.gz DTLMBUZXXZKQKV-LLVKDONJSA-N 1 2 203.289 1.977 20 30 BDEDLO C=CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001466946087 986829034 /nfs/dbraw/zinc/82/90/34/986829034.db2.gz WMALSJHFPFLXGN-UHFFFAOYSA-N 1 2 207.277 1.295 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001255173040 986863087 /nfs/dbraw/zinc/86/30/87/986863087.db2.gz VYEHXNSKXBJYBZ-NEPJUHHUSA-N 1 2 223.320 1.279 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001255173040 986863093 /nfs/dbraw/zinc/86/30/93/986863093.db2.gz VYEHXNSKXBJYBZ-NEPJUHHUSA-N 1 2 223.320 1.279 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001255178361 986872768 /nfs/dbraw/zinc/87/27/68/986872768.db2.gz FOTPYYVCNDMXOD-NWDGAFQWSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCOC[C@@H]1C1CC1 ZINC001255178361 986872771 /nfs/dbraw/zinc/87/27/71/986872771.db2.gz FOTPYYVCNDMXOD-NWDGAFQWSA-N 1 2 208.305 1.789 20 30 BDEDLO CC(C)c1[nH]cc(CNC(=O)[C@@H](C)CC#N)[nH+]1 ZINC001472094467 987171825 /nfs/dbraw/zinc/17/18/25/987171825.db2.gz YLXARZBFAZXMLD-VIFPVBQESA-N 1 2 234.303 1.699 20 30 BDEDLO CC(C)c1[nH]c(CNC(=O)[C@@H](C)CC#N)c[nH+]1 ZINC001472094467 987171839 /nfs/dbraw/zinc/17/18/39/987171839.db2.gz YLXARZBFAZXMLD-VIFPVBQESA-N 1 2 234.303 1.699 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)CCC2CCC2)CC1 ZINC001472946309 987305207 /nfs/dbraw/zinc/30/52/07/987305207.db2.gz MRPDBNICEFTPMN-UHFFFAOYSA-N 1 2 236.359 1.897 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001115954869 987417915 /nfs/dbraw/zinc/41/79/15/987417915.db2.gz AGSBUYHIZQEVPF-NXEZZACHSA-N 1 2 220.276 1.253 20 30 BDEDLO COCCCn1nccc1C[NH2+][C@@H](C)CC#N ZINC001474250648 987668338 /nfs/dbraw/zinc/66/83/38/987668338.db2.gz HIGHGGFXXABHEN-NSHDSACASA-N 1 2 236.319 1.311 20 30 BDEDLO C[C@H](C(=O)N(C)CC(C)(C)C#N)n1cc[nH+]c1 ZINC001117768176 987897082 /nfs/dbraw/zinc/89/70/82/987897082.db2.gz PJZROQRMJVKVQB-SNVBAGLBSA-N 1 2 234.303 1.452 20 30 BDEDLO C#CCN(CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001321512274 987932690 /nfs/dbraw/zinc/93/26/90/987932690.db2.gz SXHFQLCSENPBKR-UHFFFAOYSA-N 1 2 231.299 1.214 20 30 BDEDLO C#CCN(CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001321512274 987932696 /nfs/dbraw/zinc/93/26/96/987932696.db2.gz SXHFQLCSENPBKR-UHFFFAOYSA-N 1 2 231.299 1.214 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\CC ZINC001480094175 987941423 /nfs/dbraw/zinc/94/14/23/987941423.db2.gz OHGGMSACLQCGOB-ITRSLCTRSA-N 1 2 246.354 1.651 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\CC ZINC001480094175 987941442 /nfs/dbraw/zinc/94/14/42/987941442.db2.gz OHGGMSACLQCGOB-ITRSLCTRSA-N 1 2 246.354 1.651 20 30 BDEDLO C=C[C@@H](COC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001118240734 988140622 /nfs/dbraw/zinc/14/06/22/988140622.db2.gz SWZIGYJKAPGGSW-MNOVXSKESA-N 1 2 237.303 1.151 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCC1 ZINC001499058233 988533314 /nfs/dbraw/zinc/53/33/14/988533314.db2.gz SZRWHLAHKVRJDB-CYBMUJFWSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCC1 ZINC001499058233 988533326 /nfs/dbraw/zinc/53/33/26/988533326.db2.gz SZRWHLAHKVRJDB-CYBMUJFWSA-N 1 2 246.354 1.557 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2(C)CC2)C1 ZINC001499708726 988559423 /nfs/dbraw/zinc/55/94/23/988559423.db2.gz YDGLGMJWWSKOGS-UHFFFAOYSA-N 1 2 222.332 1.505 20 30 BDEDLO C=CCSCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001323605462 988567172 /nfs/dbraw/zinc/56/71/72/988567172.db2.gz LMFJPHQWQYCLOA-JTQLQIEISA-N 1 2 239.344 1.480 20 30 BDEDLO COC[C@@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001248188372 989080544 /nfs/dbraw/zinc/08/05/44/989080544.db2.gz VKTAJWYSIUYTBA-SNVBAGLBSA-N 1 2 244.254 1.254 20 30 BDEDLO Nc1ncc(C=[NH+]NCc2ccc(F)cc2)cn1 ZINC001325112124 989087557 /nfs/dbraw/zinc/08/75/57/989087557.db2.gz GVEUPQSIQKEGNE-UHFFFAOYSA-N 1 2 245.261 1.322 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001518859258 989347413 /nfs/dbraw/zinc/34/74/13/989347413.db2.gz LYXCEIMRGVBXKN-SECBINFHSA-N 1 2 229.283 1.947 20 30 BDEDLO C#C[C@@H](CC)NC(=O)NCc1cc[nH+]c(NC)c1 ZINC001521238230 989656422 /nfs/dbraw/zinc/65/64/22/989656422.db2.gz WDPTUMXKTZLBAH-NSHDSACASA-N 1 2 246.314 1.334 20 30 BDEDLO N#CCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001326850122 989750078 /nfs/dbraw/zinc/75/00/78/989750078.db2.gz XTRYBLKIPZPTEU-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO N#CCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001326850122 989750098 /nfs/dbraw/zinc/75/00/98/989750098.db2.gz XTRYBLKIPZPTEU-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO C#C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001521727273 989788427 /nfs/dbraw/zinc/78/84/27/989788427.db2.gz PTFLOSASQVORSC-LBPRGKRZSA-N 1 2 245.326 1.225 20 30 BDEDLO C#CCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001121232419 990055063 /nfs/dbraw/zinc/05/50/63/990055063.db2.gz ZRBXUIRVXFIYNT-UHFFFAOYSA-N 1 2 216.284 1.862 20 30 BDEDLO C=CCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121892269 990110121 /nfs/dbraw/zinc/11/01/21/990110121.db2.gz LJWCPGMTCYTDEZ-UHFFFAOYSA-N 1 2 248.330 1.495 20 30 BDEDLO C=CCCCN(CC)C(=O)C[C@@H]([NH3+])C(F)F ZINC001122409573 990376590 /nfs/dbraw/zinc/37/65/90/990376590.db2.gz DXPKAEUEMFGBEA-SECBINFHSA-N 1 2 234.290 1.784 20 30 BDEDLO C=C[C@@H](O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001543046919 990680012 /nfs/dbraw/zinc/68/00/12/990680012.db2.gz PEQDPWGVLUAPHO-GFCCVEGCSA-N 1 2 243.266 1.358 20 30 BDEDLO C=CC(C)(C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001556593065 990834119 /nfs/dbraw/zinc/83/41/19/990834119.db2.gz PBXUDXVFULJDFR-NSHDSACASA-N 1 2 247.342 1.774 20 30 BDEDLO C#Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001558728121 990988463 /nfs/dbraw/zinc/98/84/63/990988463.db2.gz PBAAOXCDPCJOQG-UHFFFAOYSA-N 1 2 239.278 1.962 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC001308505537 991014768 /nfs/dbraw/zinc/01/47/68/991014768.db2.gz IYTYWMPDYWFHFT-JTQLQIEISA-N 1 2 232.331 1.691 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC001258269667 991198846 /nfs/dbraw/zinc/19/88/46/991198846.db2.gz PGTCGBQQXLEMEZ-OUKQBFOZSA-N 1 2 246.354 1.510 20 30 BDEDLO CC[C@@](COC)([NH2+]CCCCC#N)C(=O)OC ZINC001559890858 991305352 /nfs/dbraw/zinc/30/53/52/991305352.db2.gz NSBLAUDPDAYJDI-LBPRGKRZSA-N 1 2 242.319 1.238 20 30 BDEDLO CCN(Cc1cccc(N(C)C)[nH+]1)[C@@H](C)C#N ZINC001560024679 991362268 /nfs/dbraw/zinc/36/22/68/991362268.db2.gz QAXQTWIWADWSSU-NSHDSACASA-N 1 2 232.331 1.882 20 30 BDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CC1CC1 ZINC001258447534 991391871 /nfs/dbraw/zinc/39/18/71/991391871.db2.gz RVDIMGOOUDLFBY-SCZZXKLOSA-N 1 2 231.361 1.626 20 30 BDEDLO C=CCN1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC001139931062 991422126 /nfs/dbraw/zinc/42/21/26/991422126.db2.gz CAWSGALSCSFNLJ-UHFFFAOYSA-N 1 2 231.343 1.694 20 30 BDEDLO C=CC[NH+]1CCN([C@H](C)Cc2cccnc2)CC1 ZINC001258628916 991557578 /nfs/dbraw/zinc/55/75/78/991557578.db2.gz VTCZWUMXSTWBOX-CQSZACIVSA-N 1 2 245.370 1.816 20 30 BDEDLO CN(C)C(=O)C[N@H+](CCC#N)C1CCCC1 ZINC001203013452 991568576 /nfs/dbraw/zinc/56/85/76/991568576.db2.gz XZHWRWFTEWZUDE-UHFFFAOYSA-N 1 2 223.320 1.233 20 30 BDEDLO CN(C)C(=O)C[N@@H+](CCC#N)C1CCCC1 ZINC001203013452 991568589 /nfs/dbraw/zinc/56/85/89/991568589.db2.gz XZHWRWFTEWZUDE-UHFFFAOYSA-N 1 2 223.320 1.233 20 30 BDEDLO C=CCC[C@H](C)[N@@H+]1CCOC[C@H]1CN(C)C ZINC001258732506 991676007 /nfs/dbraw/zinc/67/60/07/991676007.db2.gz MMUMYNLWYYAYEU-QWHCGFSZSA-N 1 2 226.364 1.604 20 30 BDEDLO C=CCC[C@H](C)[N@H+]1CCOC[C@H]1CN(C)C ZINC001258732506 991676011 /nfs/dbraw/zinc/67/60/11/991676011.db2.gz MMUMYNLWYYAYEU-QWHCGFSZSA-N 1 2 226.364 1.604 20 30 BDEDLO CC[N@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC001318620025 991687983 /nfs/dbraw/zinc/68/79/83/991687983.db2.gz HHDBXOCNJAEQAP-UHFFFAOYSA-N 1 2 249.289 1.287 20 30 BDEDLO CC[N@@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC001318620025 991687995 /nfs/dbraw/zinc/68/79/95/991687995.db2.gz HHDBXOCNJAEQAP-UHFFFAOYSA-N 1 2 249.289 1.287 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2cccc(F)c2N)C1 ZINC001561048924 991704344 /nfs/dbraw/zinc/70/43/44/991704344.db2.gz HZHCMVVJKRAPMO-UHFFFAOYSA-N 1 2 236.290 1.531 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC001565502655 991789375 /nfs/dbraw/zinc/78/93/75/991789375.db2.gz FBTSBOCLYXGMBH-UHFFFAOYSA-N 1 2 238.375 1.999 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001565826024 991812209 /nfs/dbraw/zinc/81/22/09/991812209.db2.gz DCKJZNCHHRDMIG-ZDUSSCGKSA-N 1 2 246.354 1.509 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001565826024 991812210 /nfs/dbraw/zinc/81/22/10/991812210.db2.gz DCKJZNCHHRDMIG-ZDUSSCGKSA-N 1 2 246.354 1.509 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001565826023 991812867 /nfs/dbraw/zinc/81/28/67/991812867.db2.gz DCKJZNCHHRDMIG-CYBMUJFWSA-N 1 2 246.354 1.509 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001565826023 991812862 /nfs/dbraw/zinc/81/28/62/991812862.db2.gz DCKJZNCHHRDMIG-CYBMUJFWSA-N 1 2 246.354 1.509 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001319553818 991893666 /nfs/dbraw/zinc/89/36/66/991893666.db2.gz WUINRHAYRHTBEN-UHFFFAOYSA-N 1 2 222.288 1.373 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1nc(C)c(C)o1 ZINC001319553818 991893669 /nfs/dbraw/zinc/89/36/69/991893669.db2.gz WUINRHAYRHTBEN-UHFFFAOYSA-N 1 2 222.288 1.373 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccco1 ZINC001567269984 991990522 /nfs/dbraw/zinc/99/05/22/991990522.db2.gz YOYSEQXJSFMKGF-UHFFFAOYSA-N 1 2 242.706 1.694 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccco1 ZINC001567269984 991990531 /nfs/dbraw/zinc/99/05/31/991990531.db2.gz YOYSEQXJSFMKGF-UHFFFAOYSA-N 1 2 242.706 1.694 20 30 BDEDLO C=CCS(=O)(=O)Nc1c[nH+]c2ccccn12 ZINC001259922484 992023749 /nfs/dbraw/zinc/02/37/49/992023749.db2.gz LATOJFBFQYQPRV-UHFFFAOYSA-N 1 2 237.284 1.262 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(=C)C ZINC001567857037 992108926 /nfs/dbraw/zinc/10/89/26/992108926.db2.gz OZPHBOKSQSNNEV-STQMWFEESA-N 1 2 232.327 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(=C)C ZINC001567857037 992108931 /nfs/dbraw/zinc/10/89/31/992108931.db2.gz OZPHBOKSQSNNEV-STQMWFEESA-N 1 2 232.327 1.261 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001261281889 992251386 /nfs/dbraw/zinc/25/13/86/992251386.db2.gz OOWHMSWUIDFVQJ-UWVGGRQHSA-N 1 2 244.285 1.218 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(C)=O ZINC001569101802 992306894 /nfs/dbraw/zinc/30/68/94/992306894.db2.gz FLTWSZLYGRMQKG-QMMMGPOBSA-N 1 2 204.701 1.195 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(C)=O ZINC001569101802 992306906 /nfs/dbraw/zinc/30/69/06/992306906.db2.gz FLTWSZLYGRMQKG-QMMMGPOBSA-N 1 2 204.701 1.195 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ccncc1C#N ZINC001261456894 992315785 /nfs/dbraw/zinc/31/57/85/992315785.db2.gz PHIYGRKKYXGNFL-UHFFFAOYSA-N 1 2 229.283 1.035 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ccncc1C#N ZINC001261456894 992315800 /nfs/dbraw/zinc/31/58/00/992315800.db2.gz PHIYGRKKYXGNFL-UHFFFAOYSA-N 1 2 229.283 1.035 20 30 BDEDLO C=CC[C@@H]([NH2+]C1CC(OCC)C1)C(=O)OCC ZINC001320790079 992360851 /nfs/dbraw/zinc/36/08/51/992360851.db2.gz XSWKERSUZCGPNX-HTAVTVPLSA-N 1 2 241.331 1.651 20 30 BDEDLO CC(C)(CC#N)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001570197837 992446000 /nfs/dbraw/zinc/44/60/00/992446000.db2.gz BKVJMJLCZPOEBR-UHFFFAOYSA-N 1 2 234.303 1.398 20 30 BDEDLO N#Cc1ccc(CNC(=O)Cn2cc[nH+]c2)s1 ZINC001570458069 992471670 /nfs/dbraw/zinc/47/16/70/992471670.db2.gz ACJUOMLAFLUKKC-UHFFFAOYSA-N 1 2 246.295 1.133 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001261747262 992486521 /nfs/dbraw/zinc/48/65/21/992486521.db2.gz HCMAQPVZJMEBFF-QWHCGFSZSA-N 1 2 245.326 1.706 20 30 BDEDLO C#CC[C@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001261747263 992487108 /nfs/dbraw/zinc/48/71/08/992487108.db2.gz HCMAQPVZJMEBFF-STQMWFEESA-N 1 2 245.326 1.706 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1nnc(CC)s1 ZINC001262364778 992856446 /nfs/dbraw/zinc/85/64/46/992856446.db2.gz IFZODTUVFGDBJD-QMMMGPOBSA-N 1 2 227.333 1.391 20 30 BDEDLO N#Cc1ccnnc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC001262701228 993043352 /nfs/dbraw/zinc/04/33/52/993043352.db2.gz GDFIGRWTDDNVHB-NSHDSACASA-N 1 2 249.293 1.194 20 30 BDEDLO N#Cc1ccnnc1N[C@H]1CCC[N@H+](CCF)C1 ZINC001262701228 993043358 /nfs/dbraw/zinc/04/33/58/993043358.db2.gz GDFIGRWTDDNVHB-NSHDSACASA-N 1 2 249.293 1.194 20 30 BDEDLO C=CCOCC[NH2+][C@@H](CC)c1noc(C)n1 ZINC000382170280 993443682 /nfs/dbraw/zinc/44/36/82/993443682.db2.gz WFVHEEMELCEHGC-JTQLQIEISA-N 1 2 225.292 1.621 20 30 BDEDLO N#Cc1cc(F)cc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001302449914 995120297 /nfs/dbraw/zinc/12/02/97/995120297.db2.gz GMQAGBCLQDTVBG-UHFFFAOYSA-N 1 2 244.229 1.602 20 30 BDEDLO C[C@@H](O)C[N@H+](CCCCC#N)CC(F)F ZINC001307771550 995455562 /nfs/dbraw/zinc/45/55/62/995455562.db2.gz FILLUQXXWDEMIF-SECBINFHSA-N 1 2 220.263 1.628 20 30 BDEDLO C[C@@H](O)C[N@@H+](CCCCC#N)CC(F)F ZINC001307771550 995455566 /nfs/dbraw/zinc/45/55/66/995455566.db2.gz FILLUQXXWDEMIF-SECBINFHSA-N 1 2 220.263 1.628 20 30 BDEDLO COCCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399372705 262782628 /nfs/dbraw/zinc/78/26/28/262782628.db2.gz AHFMPJQQLXCEHH-UHFFFAOYSA-N 1 2 219.288 1.734 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602089404 349436017 /nfs/dbraw/zinc/43/60/17/349436017.db2.gz FLVYKUFGMPLDIX-GMTAPVOTSA-N 1 2 246.314 1.568 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602089404 349436020 /nfs/dbraw/zinc/43/60/20/349436020.db2.gz FLVYKUFGMPLDIX-GMTAPVOTSA-N 1 2 246.314 1.568 20 30 BDEDLO C=CCN(CCC#N)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000602154449 349462962 /nfs/dbraw/zinc/46/29/62/349462962.db2.gz SSJMSDLSQYPZQS-UHFFFAOYSA-N 1 2 246.314 1.443 20 30 BDEDLO C[C@@H]1CCN(CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000119977315 136212938 /nfs/dbraw/zinc/21/29/38/136212938.db2.gz QBWUXBOVGNJQIA-NEPJUHHUSA-N 1 2 218.304 1.680 20 30 BDEDLO Cc1cnn(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000572429987 398144406 /nfs/dbraw/zinc/14/44/06/398144406.db2.gz DGAUOBJYQQQHOJ-UHFFFAOYSA-N 1 2 241.298 1.802 20 30 BDEDLO C#CC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157714451 166172106 /nfs/dbraw/zinc/17/21/06/166172106.db2.gz SOYWMSACYUUEOF-SNVBAGLBSA-N 1 2 207.298 1.755 20 30 BDEDLO C#CC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157714451 166172110 /nfs/dbraw/zinc/17/21/10/166172110.db2.gz SOYWMSACYUUEOF-SNVBAGLBSA-N 1 2 207.298 1.755 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000521367338 259306387 /nfs/dbraw/zinc/30/63/87/259306387.db2.gz ZGNNOPBSVOWGNN-UWVGGRQHSA-N 1 2 221.304 1.669 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000521367338 259306388 /nfs/dbraw/zinc/30/63/88/259306388.db2.gz ZGNNOPBSVOWGNN-UWVGGRQHSA-N 1 2 221.304 1.669 20 30 BDEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)CC2)o1 ZINC000057907442 136227563 /nfs/dbraw/zinc/22/75/63/136227563.db2.gz VDBLFZZVKSYVDJ-UHFFFAOYSA-N 1 2 248.282 1.802 20 30 BDEDLO N#CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000057907201 136227572 /nfs/dbraw/zinc/22/75/72/136227572.db2.gz KVMWZJBZVLKFEE-UHFFFAOYSA-N 1 2 249.358 1.671 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1O ZINC000335235772 343992015 /nfs/dbraw/zinc/99/20/15/343992015.db2.gz ZXUZCFAHIDGVMY-ZDUSSCGKSA-N 1 2 248.301 1.900 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1O ZINC000335235772 343992019 /nfs/dbraw/zinc/99/20/19/343992019.db2.gz ZXUZCFAHIDGVMY-ZDUSSCGKSA-N 1 2 248.301 1.900 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000576596035 365635441 /nfs/dbraw/zinc/63/54/41/365635441.db2.gz SOEBZFFDFGYNDH-ZJUUUORDSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000576596035 365635445 /nfs/dbraw/zinc/63/54/45/365635445.db2.gz SOEBZFFDFGYNDH-ZJUUUORDSA-N 1 2 234.303 1.397 20 30 BDEDLO C[N@H+](CC#Cc1ccc(F)cc1)C(C)(C)C(N)=O ZINC000295761728 136230438 /nfs/dbraw/zinc/23/04/38/136230438.db2.gz RSJMDTMFVNSHFD-UHFFFAOYSA-N 1 2 248.301 1.373 20 30 BDEDLO C[N@@H+](CC#Cc1ccc(F)cc1)C(C)(C)C(N)=O ZINC000295761728 136230439 /nfs/dbraw/zinc/23/04/39/136230439.db2.gz RSJMDTMFVNSHFD-UHFFFAOYSA-N 1 2 248.301 1.373 20 30 BDEDLO CCc1nnc(C[NH+]2CCC(CCC#N)CC2)[nH]1 ZINC000576700676 365661452 /nfs/dbraw/zinc/66/14/52/365661452.db2.gz PNVGTBFFIYAHDZ-UHFFFAOYSA-N 1 2 247.346 1.883 20 30 BDEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N(CC#N)C1CC1 ZINC000602448678 349549417 /nfs/dbraw/zinc/54/94/17/349549417.db2.gz LXQODZAVEGVXJY-GFCCVEGCSA-N 1 2 230.315 1.859 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccon1 ZINC000576765143 365680595 /nfs/dbraw/zinc/68/05/95/365680595.db2.gz GKLRMLJRLAAKHJ-SECBINFHSA-N 1 2 228.255 1.792 20 30 BDEDLO Cc1c[nH]c(CN2CCC[C@@](C)(C#N)C2)[nH+]1 ZINC000600143290 342689741 /nfs/dbraw/zinc/68/97/41/342689741.db2.gz AMXNTEPFAHGAOU-LBPRGKRZSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1ncc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000600165017 342693850 /nfs/dbraw/zinc/69/38/50/342693850.db2.gz OJFIYBOYAIUOGB-UHFFFAOYSA-N 1 2 205.261 1.767 20 30 BDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCC#N ZINC000472332590 529384485 /nfs/dbraw/zinc/38/44/85/529384485.db2.gz XVQUDHSZMSMHBI-OLZOCXBDSA-N 1 2 237.347 1.621 20 30 BDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCC#N ZINC000472332590 529384486 /nfs/dbraw/zinc/38/44/86/529384486.db2.gz XVQUDHSZMSMHBI-OLZOCXBDSA-N 1 2 237.347 1.621 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000183813037 346860136 /nfs/dbraw/zinc/86/01/36/346860136.db2.gz IMPNDKMYUYUTOL-SECBINFHSA-N 1 2 220.320 1.956 20 30 BDEDLO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042607470 342778641 /nfs/dbraw/zinc/77/86/41/342778641.db2.gz LXPIFMGULIYLQO-GHMZBOCLSA-N 1 2 223.320 1.135 20 30 BDEDLO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042607470 342778643 /nfs/dbraw/zinc/77/86/43/342778643.db2.gz LXPIFMGULIYLQO-GHMZBOCLSA-N 1 2 223.320 1.135 20 30 BDEDLO CC(C)n1cnnc1C[N@H+](C)[C@H](C)CCC#N ZINC000566740735 323012699 /nfs/dbraw/zinc/01/26/99/323012699.db2.gz NFLSOYMQJHODJZ-LLVKDONJSA-N 1 2 235.335 1.983 20 30 BDEDLO CC(C)n1cnnc1C[N@@H+](C)[C@H](C)CCC#N ZINC000566740735 323012700 /nfs/dbraw/zinc/01/27/00/323012700.db2.gz NFLSOYMQJHODJZ-LLVKDONJSA-N 1 2 235.335 1.983 20 30 BDEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000380139042 538985964 /nfs/dbraw/zinc/98/59/64/538985964.db2.gz VCUAAJQIZFYPMY-ZJUUUORDSA-N 1 2 206.293 1.268 20 30 BDEDLO C=CCN(CCOC)c1cc(CC)[nH+]c(C)n1 ZINC000189639551 538984103 /nfs/dbraw/zinc/98/41/03/538984103.db2.gz SRTGEKACIAXGQT-UHFFFAOYSA-N 1 2 235.331 1.986 20 30 BDEDLO C=CC[NH+](CC=C)Cc1cncc(OC)n1 ZINC000625082051 342850206 /nfs/dbraw/zinc/85/02/06/342850206.db2.gz YFBRMSAMUVEMNF-UHFFFAOYSA-N 1 2 219.288 1.659 20 30 BDEDLO COc1cncc(C[NH2+]C[C@@H](C)C#N)c1C ZINC000602607960 349631124 /nfs/dbraw/zinc/63/11/24/349631124.db2.gz NVRUTEQSJHDAGQ-VIFPVBQESA-N 1 2 219.288 1.648 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492606542 529444898 /nfs/dbraw/zinc/44/48/98/529444898.db2.gz WKSUPVNXWWHTGK-GZTOBOFZSA-N 1 2 246.314 1.725 20 30 BDEDLO Cc1nnsc1C[NH2+]CC1(C#N)CC1 ZINC000602644009 349656152 /nfs/dbraw/zinc/65/61/52/349656152.db2.gz UJQHHQBYILGBJE-UHFFFAOYSA-N 1 2 208.290 1.240 20 30 BDEDLO CCC#C[C@H](C)[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000616820410 346902303 /nfs/dbraw/zinc/90/23/03/346902303.db2.gz QQYQSTQKWXBAPF-SRVKXCTJSA-N 1 2 227.373 1.630 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccns2)CCC1 ZINC000602695575 349692221 /nfs/dbraw/zinc/69/22/21/349692221.db2.gz ATNAYJCWOZPHMP-UHFFFAOYSA-N 1 2 207.302 1.927 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NCC1(C#N)CC1 ZINC000493463381 529554147 /nfs/dbraw/zinc/55/41/47/529554147.db2.gz XCHCWTNPRGEJBQ-ONEGZZNKSA-N 1 2 244.298 1.336 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C(=O)OC ZINC000602740275 349709244 /nfs/dbraw/zinc/70/92/44/349709244.db2.gz VGFDSCGTWBYAPC-VWYCJHECSA-N 1 2 243.372 1.978 20 30 BDEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000162466730 349714759 /nfs/dbraw/zinc/71/47/59/349714759.db2.gz RLAWUZAMYAAQAY-ZDUSSCGKSA-N 1 2 220.316 1.975 20 30 BDEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000162466730 349714761 /nfs/dbraw/zinc/71/47/61/349714761.db2.gz RLAWUZAMYAAQAY-ZDUSSCGKSA-N 1 2 220.316 1.975 20 30 BDEDLO CC[C@@](C)([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000602801894 349741878 /nfs/dbraw/zinc/74/18/78/349741878.db2.gz VLUSARKAVNQKAK-LLVKDONJSA-N 1 2 224.304 1.612 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602783388 349748840 /nfs/dbraw/zinc/74/88/40/349748840.db2.gz YZGSNLXTDGCVDC-GLKRBJQHSA-N 1 2 240.372 1.522 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CC1(CC#N)CC1 ZINC000602783388 349748843 /nfs/dbraw/zinc/74/88/43/349748843.db2.gz YZGSNLXTDGCVDC-GLKRBJQHSA-N 1 2 240.372 1.522 20 30 BDEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602861707 349773633 /nfs/dbraw/zinc/77/36/33/349773633.db2.gz HTIXSCWVWOJDGR-NSHDSACASA-N 1 2 231.299 1.825 20 30 BDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cscn1 ZINC000330318495 136263242 /nfs/dbraw/zinc/26/32/42/136263242.db2.gz QXWRFMOZJBWSFU-QMMMGPOBSA-N 1 2 248.311 1.659 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000602863191 349775746 /nfs/dbraw/zinc/77/57/46/349775746.db2.gz LVDKGINLZKFXDQ-VXGBXAGGSA-N 1 2 237.347 1.669 20 30 BDEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)c(F)c1 ZINC000602859799 349770964 /nfs/dbraw/zinc/77/09/64/349770964.db2.gz ASCYMPMPWPPNFH-JTQLQIEISA-N 1 2 249.289 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1.148 20 30 BDEDLO COc1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602870358 349801676 /nfs/dbraw/zinc/80/16/76/349801676.db2.gz SOLWUGLUMVMAOL-JTQLQIEISA-N 1 2 247.298 1.525 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccccc1F ZINC000293325092 136289503 /nfs/dbraw/zinc/28/95/03/136289503.db2.gz XRCLHMNGIRBPJY-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000293325092 136289504 /nfs/dbraw/zinc/28/95/04/136289504.db2.gz XRCLHMNGIRBPJY-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674309 343276961 /nfs/dbraw/zinc/27/69/61/343276961.db2.gz OIHJULYGCCVCFW-ZDUSSCGKSA-N 1 2 229.283 1.437 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674309 343276963 /nfs/dbraw/zinc/27/69/63/343276963.db2.gz OIHJULYGCCVCFW-ZDUSSCGKSA-N 1 2 229.283 1.437 20 30 BDEDLO C=CC[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000051961085 343281905 /nfs/dbraw/zinc/28/19/05/343281905.db2.gz JTZXUOQFYXBCDT-LLVKDONJSA-N 1 2 211.305 1.884 20 30 BDEDLO CCC[C@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609170162 343325544 /nfs/dbraw/zinc/32/55/44/343325544.db2.gz MQRVGGJSMFSKBQ-LLVKDONJSA-N 1 2 234.303 1.472 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CC/C=C\CC)nn1 ZINC000641065628 362172759 /nfs/dbraw/zinc/17/27/59/362172759.db2.gz IRBJUPQNRIKRBP-ALCCZGGFSA-N 1 2 232.331 1.747 20 30 BDEDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335695041 136326435 /nfs/dbraw/zinc/32/64/35/136326435.db2.gz YIUDHHDNVUTQCX-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335695041 136326436 /nfs/dbraw/zinc/32/64/36/136326436.db2.gz YIUDHHDNVUTQCX-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C=CCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367084874 136333022 /nfs/dbraw/zinc/33/30/22/136333022.db2.gz OETLCQUUEGXMQU-CYBMUJFWSA-N 1 2 245.326 1.521 20 30 BDEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000329356257 136365345 /nfs/dbraw/zinc/36/53/45/136365345.db2.gz WCHQUNBKVJAXNC-MXWKQRLJSA-N 1 2 249.314 1.866 20 30 BDEDLO N#CCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000588361208 343462320 /nfs/dbraw/zinc/46/23/20/343462320.db2.gz BLNYMOMMCDYWKW-UHFFFAOYSA-N 1 2 220.276 1.500 20 30 BDEDLO Cn1cc[nH+]c1CNc1cc(C#N)ccn1 ZINC000070853897 343514270 /nfs/dbraw/zinc/51/42/70/343514270.db2.gz NQASGDQPSBBREI-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C#CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047816299 343592825 /nfs/dbraw/zinc/59/28/25/343592825.db2.gz FLEXAYRASSNDQZ-GFCCVEGCSA-N 1 2 243.310 1.047 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000602942208 349825706 /nfs/dbraw/zinc/82/57/06/349825706.db2.gz LNNJHHTYOPJIPN-ZYHUDNBSSA-N 1 2 218.304 1.842 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000602942208 349825707 /nfs/dbraw/zinc/82/57/07/349825707.db2.gz LNNJHHTYOPJIPN-ZYHUDNBSSA-N 1 2 218.304 1.842 20 30 BDEDLO C[N@H+](Cc1cc(=O)c(O)co1)[C@H]1CCC[C@@H]1C#N ZINC000602977966 349842496 /nfs/dbraw/zinc/84/24/96/349842496.db2.gz JHRUXHQFDBFKSN-KOLCDFICSA-N 1 2 248.282 1.469 20 30 BDEDLO C[N@@H+](Cc1cc(=O)c(O)co1)[C@H]1CCC[C@@H]1C#N ZINC000602977966 349842497 /nfs/dbraw/zinc/84/24/97/349842497.db2.gz JHRUXHQFDBFKSN-KOLCDFICSA-N 1 2 248.282 1.469 20 30 BDEDLO N#CCCOCC[N@H+](CC#N)C1CCCC1 ZINC000339001852 343693201 /nfs/dbraw/zinc/69/32/01/343693201.db2.gz TVGBKQKUYLYPCN-UHFFFAOYSA-N 1 2 221.304 1.685 20 30 BDEDLO N#CCCOCC[N@@H+](CC#N)C1CCCC1 ZINC000339001852 343693203 /nfs/dbraw/zinc/69/32/03/343693203.db2.gz TVGBKQKUYLYPCN-UHFFFAOYSA-N 1 2 221.304 1.685 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974922 349839426 /nfs/dbraw/zinc/83/94/26/349839426.db2.gz VWBDXDAJEAITED-SDDRHHMPSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974922 349839428 /nfs/dbraw/zinc/83/94/28/349839428.db2.gz VWBDXDAJEAITED-SDDRHHMPSA-N 1 2 237.347 1.525 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000174697384 529860270 /nfs/dbraw/zinc/86/02/70/529860270.db2.gz ROUZWJPTCDRLAB-UHFFFAOYSA-N 1 2 249.358 1.480 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000174697384 529860271 /nfs/dbraw/zinc/86/02/71/529860271.db2.gz ROUZWJPTCDRLAB-UHFFFAOYSA-N 1 2 249.358 1.480 20 30 BDEDLO CC(C)Cn1cc[nH+]c1CNCCC#N ZINC000570445163 323059546 /nfs/dbraw/zinc/05/95/46/323059546.db2.gz YTCJQJKKECQNNG-UHFFFAOYSA-N 1 2 206.293 1.542 20 30 BDEDLO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000157065343 343907366 /nfs/dbraw/zinc/90/73/66/343907366.db2.gz WDDARTGULQBOOW-UWVGGRQHSA-N 1 2 211.309 1.135 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000160365547 323065293 /nfs/dbraw/zinc/06/52/93/323065293.db2.gz UPDZGPNGDSHWNC-JTQLQIEISA-N 1 2 235.312 1.069 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000160365547 323065294 /nfs/dbraw/zinc/06/52/94/323065294.db2.gz UPDZGPNGDSHWNC-JTQLQIEISA-N 1 2 235.312 1.069 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)[C@H](C)COC ZINC000157413675 344095786 /nfs/dbraw/zinc/09/57/86/344095786.db2.gz YXSRNYMLPPHXPE-SNVBAGLBSA-N 1 2 215.293 1.072 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)[C@H](C)COC ZINC000157413675 344095788 /nfs/dbraw/zinc/09/57/88/344095788.db2.gz YXSRNYMLPPHXPE-SNVBAGLBSA-N 1 2 215.293 1.072 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000631413563 344154645 /nfs/dbraw/zinc/15/46/45/344154645.db2.gz IZFXQZVBDUDYBE-UHFFFAOYSA-N 1 2 205.261 1.382 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000631413563 344154647 /nfs/dbraw/zinc/15/46/47/344154647.db2.gz IZFXQZVBDUDYBE-UHFFFAOYSA-N 1 2 205.261 1.382 20 30 BDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CC#N)C1 ZINC000408225385 344265278 /nfs/dbraw/zinc/26/52/78/344265278.db2.gz SYRPEUCMKWBEII-LLVKDONJSA-N 1 2 246.314 1.115 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H]1CCCC12CC2)C(=O)OC ZINC000600616566 344337604 /nfs/dbraw/zinc/33/76/04/344337604.db2.gz YNMNWYZRHNYTJG-GHMZBOCLSA-N 1 2 223.316 1.884 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(COC)CCC1)C(=O)OC ZINC000381171507 344482469 /nfs/dbraw/zinc/48/24/69/344482469.db2.gz UGKOQCZMMXCFRU-SNVBAGLBSA-N 1 2 227.304 1.120 20 30 BDEDLO C=CCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152447732 344565882 /nfs/dbraw/zinc/56/58/82/344565882.db2.gz UXVNINKCQWLZIE-GFCCVEGCSA-N 1 2 245.326 1.743 20 30 BDEDLO Cc1cnn(CCCCC[N@@H+](C)CC#N)c1 ZINC000111211036 344583651 /nfs/dbraw/zinc/58/36/51/344583651.db2.gz BBXDCMFZERGPQS-UHFFFAOYSA-N 1 2 220.320 1.817 20 30 BDEDLO Cc1cnn(CCCCC[N@H+](C)CC#N)c1 ZINC000111211036 344583655 /nfs/dbraw/zinc/58/36/55/344583655.db2.gz BBXDCMFZERGPQS-UHFFFAOYSA-N 1 2 220.320 1.817 20 30 BDEDLO C=CCCCNC(=O)CCCn1cc[nH+]c1 ZINC000684154780 488269784 /nfs/dbraw/zinc/26/97/84/488269784.db2.gz LUFRHYCAFRNXES-UHFFFAOYSA-N 1 2 221.304 1.746 20 30 BDEDLO COc1cccc(C(N)=[NH+]OC[C@H](C)OC)c1 ZINC000181671476 347068732 /nfs/dbraw/zinc/06/87/32/347068732.db2.gz VGLIIYUWIWRQBB-VIFPVBQESA-N 1 2 238.287 1.367 20 30 BDEDLO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)nn1C ZINC000260174500 344715828 /nfs/dbraw/zinc/71/58/28/344715828.db2.gz UABSVLRNSLIROU-GFCCVEGCSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)nn1C ZINC000260174500 344715830 /nfs/dbraw/zinc/71/58/30/344715830.db2.gz UABSVLRNSLIROU-GFCCVEGCSA-N 1 2 232.331 1.854 20 30 BDEDLO C[N@H+](CCC#N)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000119461435 344850056 /nfs/dbraw/zinc/85/00/56/344850056.db2.gz HKXZNYLHXMLXQF-OLZOCXBDSA-N 1 2 216.284 1.490 20 30 BDEDLO C[N@@H+](CCC#N)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000119461435 344850059 /nfs/dbraw/zinc/85/00/59/344850059.db2.gz HKXZNYLHXMLXQF-OLZOCXBDSA-N 1 2 216.284 1.490 20 30 BDEDLO C#CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121472587 344926099 /nfs/dbraw/zinc/92/60/99/344926099.db2.gz ICKKCFIOGJAOGC-OAHLLOKOSA-N 1 2 239.322 1.502 20 30 BDEDLO C=CC(C)(C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000628313373 344939354 /nfs/dbraw/zinc/93/93/54/344939354.db2.gz MXMDPDMZJWOJJS-UHFFFAOYSA-N 1 2 235.331 1.979 20 30 BDEDLO C#CCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153661683 344945008 /nfs/dbraw/zinc/94/50/08/344945008.db2.gz BTPOWMFQAIQEOJ-LBPRGKRZSA-N 1 2 245.326 1.365 20 30 BDEDLO COC(=O)CCCCNc1cc(C)[nH+]cc1C#N ZINC000425215852 192084082 /nfs/dbraw/zinc/08/40/82/192084082.db2.gz OXZNMRKHEGMMOY-UHFFFAOYSA-N 1 2 247.298 1.439 20 30 BDEDLO Cc1cc(N(C)Cc2ccon2)c(C#N)c[nH+]1 ZINC000425222669 192084260 /nfs/dbraw/zinc/08/42/60/192084260.db2.gz AUCMJQGXJIUMRP-UHFFFAOYSA-N 1 2 228.255 1.886 20 30 BDEDLO Cc1cc(N2CC3(C2)CCOC3)c(C#N)c[nH+]1 ZINC000425255814 192086215 /nfs/dbraw/zinc/08/62/15/192086215.db2.gz AQWIBKCFXBRDRS-UHFFFAOYSA-N 1 2 229.283 1.488 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000157772915 345277026 /nfs/dbraw/zinc/27/70/26/345277026.db2.gz PNBMEDRUCBLQBE-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000157772915 345277029 /nfs/dbraw/zinc/27/70/29/345277029.db2.gz PNBMEDRUCBLQBE-UHFFFAOYSA-N 1 2 214.272 1.908 20 30 BDEDLO COc1cc(C[N@H+](C)CCC#N)ccc1O ZINC000080847929 345452337 /nfs/dbraw/zinc/45/23/37/345452337.db2.gz ZDFGBTDXKKVCAV-UHFFFAOYSA-N 1 2 220.272 1.746 20 30 BDEDLO COc1cc(C[N@@H+](C)CCC#N)ccc1O ZINC000080847929 345452339 /nfs/dbraw/zinc/45/23/39/345452339.db2.gz ZDFGBTDXKKVCAV-UHFFFAOYSA-N 1 2 220.272 1.746 20 30 BDEDLO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC#N)C1 ZINC000080898204 345453329 /nfs/dbraw/zinc/45/33/29/345453329.db2.gz FBEPNPKPYNMXFN-ZYHUDNBSSA-N 1 2 210.321 1.677 20 30 BDEDLO CC[C@]1(C)C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000562479302 345397643 /nfs/dbraw/zinc/39/76/43/345397643.db2.gz XEBWDZKJCOLIMD-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000562479302 345397645 /nfs/dbraw/zinc/39/76/45/345397645.db2.gz XEBWDZKJCOLIMD-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCCCCn1cc[nH+]c1 ZINC000136230902 345490394 /nfs/dbraw/zinc/49/03/94/345490394.db2.gz OCHGEXCPCFXLQF-CYBMUJFWSA-N 1 2 248.330 1.719 20 30 BDEDLO C=CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515532 345482713 /nfs/dbraw/zinc/48/27/13/345482713.db2.gz IQHNQSNUSKIAQH-UHFFFAOYSA-N 1 2 237.347 1.110 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000359828054 345601919 /nfs/dbraw/zinc/60/19/19/345601919.db2.gz COPUVQWJRWEDDE-VXGBXAGGSA-N 1 2 241.331 1.510 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000249941375 362610283 /nfs/dbraw/zinc/61/02/83/362610283.db2.gz HSIXKDYURBJQJL-RYUDHWBXSA-N 1 2 237.347 1.479 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000249941375 362610286 /nfs/dbraw/zinc/61/02/86/362610286.db2.gz HSIXKDYURBJQJL-RYUDHWBXSA-N 1 2 237.347 1.479 20 30 BDEDLO C#CC[NH+](CC#C)Cc1sccc1OC ZINC000093461399 345672546 /nfs/dbraw/zinc/67/25/46/345672546.db2.gz ZNQAWHJWYFSGBZ-UHFFFAOYSA-N 1 2 219.309 1.825 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nccnc1OC ZINC000449227658 201841577 /nfs/dbraw/zinc/84/15/77/201841577.db2.gz QDVUXFJTYXMDSI-UHFFFAOYSA-N 1 2 207.277 1.493 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nccnc1OC ZINC000449227658 201841581 /nfs/dbraw/zinc/84/15/81/201841581.db2.gz QDVUXFJTYXMDSI-UHFFFAOYSA-N 1 2 207.277 1.493 20 30 BDEDLO C[C@@H](NC(=O)C1(C#N)CC(C)C1)c1[nH]cc[nH+]1 ZINC000139668936 345800991 /nfs/dbraw/zinc/80/09/91/345800991.db2.gz DEKMZDVRLAGSAN-NBBOBHDQSA-N 1 2 232.287 1.527 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635576838 345856209 /nfs/dbraw/zinc/85/62/09/345856209.db2.gz OBFMMZQNMXNQFF-IVZWLZJFSA-N 1 2 219.288 1.594 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635576838 345856212 /nfs/dbraw/zinc/85/62/12/345856212.db2.gz OBFMMZQNMXNQFF-IVZWLZJFSA-N 1 2 219.288 1.594 20 30 BDEDLO CC#CCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635780527 346055730 /nfs/dbraw/zinc/05/57/30/346055730.db2.gz ZGJPKNQXAVXPEL-UHFFFAOYSA-N 1 2 219.288 1.044 20 30 BDEDLO CC#CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635746910 346046521 /nfs/dbraw/zinc/04/65/21/346046521.db2.gz KPFGQFJEODVVRJ-GFCCVEGCSA-N 1 2 233.315 1.610 20 30 BDEDLO C=CC[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000052179377 346283572 /nfs/dbraw/zinc/28/35/72/346283572.db2.gz AECQOBSPCNTUDX-NSHDSACASA-N 1 2 227.304 1.120 20 30 BDEDLO C#C[C@@H](CC)[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000390431623 259388795 /nfs/dbraw/zinc/38/87/95/259388795.db2.gz AHQWPJVCOJOYSM-NWDGAFQWSA-N 1 2 225.332 1.966 20 30 BDEDLO CC1(C)C[N@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356398724 346591712 /nfs/dbraw/zinc/59/17/12/346591712.db2.gz BFFNLUWNGBTQNJ-VIFPVBQESA-N 1 2 237.328 1.217 20 30 BDEDLO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356398724 346591718 /nfs/dbraw/zinc/59/17/18/346591718.db2.gz BFFNLUWNGBTQNJ-VIFPVBQESA-N 1 2 237.328 1.217 20 30 BDEDLO CSC1(C[N@@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000589175128 346673663 /nfs/dbraw/zinc/67/36/63/346673663.db2.gz SNFXPLZPWGDBMX-SECBINFHSA-N 1 2 214.309 1.820 20 30 BDEDLO CSC1(C[N@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000589175128 346673664 /nfs/dbraw/zinc/67/36/64/346673664.db2.gz SNFXPLZPWGDBMX-SECBINFHSA-N 1 2 214.309 1.820 20 30 BDEDLO N#CCCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000589623944 346719562 /nfs/dbraw/zinc/71/95/62/346719562.db2.gz VWHLWOGZDGGIEM-UHFFFAOYSA-N 1 2 246.314 1.699 20 30 BDEDLO C[N@H+](Cc1ccnc(C#N)c1)CC(C)(C)C#N ZINC000590124134 346777493 /nfs/dbraw/zinc/77/74/93/346777493.db2.gz RXYYRKMQHNNXPW-UHFFFAOYSA-N 1 2 228.299 1.935 20 30 BDEDLO C[N@@H+](Cc1ccnc(C#N)c1)CC(C)(C)C#N ZINC000590124134 346777498 /nfs/dbraw/zinc/77/74/98/346777498.db2.gz RXYYRKMQHNNXPW-UHFFFAOYSA-N 1 2 228.299 1.935 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccccc1 ZINC000589826968 346741699 /nfs/dbraw/zinc/74/16/99/346741699.db2.gz NVGJLWHOZUYDRH-CYBMUJFWSA-N 1 2 231.299 1.260 20 30 BDEDLO COc1cc[nH+]c(CN(C)CCC#N)c1OC ZINC000188666678 347286884 /nfs/dbraw/zinc/28/68/84/347286884.db2.gz WLMAOQKCUHTRTE-UHFFFAOYSA-N 1 2 235.287 1.444 20 30 BDEDLO C#CCCC[N@H+]1CCN(c2ccc(C)o2)C(=O)C1 ZINC000364180208 347323496 /nfs/dbraw/zinc/32/34/96/347323496.db2.gz XLNBQPSYJQCZSV-UHFFFAOYSA-N 1 2 246.310 1.650 20 30 BDEDLO C#CCCC[N@@H+]1CCN(c2ccc(C)o2)C(=O)C1 ZINC000364180208 347323498 /nfs/dbraw/zinc/32/34/98/347323498.db2.gz XLNBQPSYJQCZSV-UHFFFAOYSA-N 1 2 246.310 1.650 20 30 BDEDLO C=CCC[N@H+](C)Cc1ncnn1C(C)C ZINC000279727007 166259738 /nfs/dbraw/zinc/25/97/38/166259738.db2.gz MRXHEEUVDFCTKV-UHFFFAOYSA-N 1 2 208.309 1.867 20 30 BDEDLO C[NH+]1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000590569213 347470413 /nfs/dbraw/zinc/47/04/13/347470413.db2.gz OTFGQQQVYVQQGA-UHFFFAOYSA-N 1 2 242.735 1.420 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000292598413 347513569 /nfs/dbraw/zinc/51/35/69/347513569.db2.gz WMQSQBHCFSQXJF-GFCCVEGCSA-N 1 2 232.287 1.151 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000292598413 347513572 /nfs/dbraw/zinc/51/35/72/347513572.db2.gz WMQSQBHCFSQXJF-GFCCVEGCSA-N 1 2 232.287 1.151 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccnc2N)C1 ZINC000590715631 347499935 /nfs/dbraw/zinc/49/99/35/347499935.db2.gz ZODQXFKGNPREPR-ZDUSSCGKSA-N 1 2 230.315 1.789 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccnc2N)C1 ZINC000590715631 347499938 /nfs/dbraw/zinc/49/99/38/347499938.db2.gz ZODQXFKGNPREPR-ZDUSSCGKSA-N 1 2 230.315 1.789 20 30 BDEDLO C=C[C@H]([NH2+]CC1(CF)CCOCC1)C(=O)OC ZINC000591375686 347650349 /nfs/dbraw/zinc/65/03/49/347650349.db2.gz SASPSQCBNMOJGO-JTQLQIEISA-N 1 2 245.294 1.070 20 30 BDEDLO Cc1cnc(C[NH2+]C[C@H](C#N)CCC#N)s1 ZINC000591744883 347695125 /nfs/dbraw/zinc/69/51/25/347695125.db2.gz HLIAVYISAWESLB-JTQLQIEISA-N 1 2 234.328 1.985 20 30 BDEDLO Cc1cc(N2CC([C@@H]3CCOC3)C2)c(C#N)c[nH+]1 ZINC000591824706 347701839 /nfs/dbraw/zinc/70/18/39/347701839.db2.gz BOCBPEHUIYCIOY-LLVKDONJSA-N 1 2 243.310 1.734 20 30 BDEDLO C[N@H+](CCOCC1CC1)Cc1ccncc1C#N ZINC000592071339 347728031 /nfs/dbraw/zinc/72/80/31/347728031.db2.gz GXTKDGWTROABEW-UHFFFAOYSA-N 1 2 245.326 1.812 20 30 BDEDLO C[N@@H+](CCOCC1CC1)Cc1ccncc1C#N ZINC000592071339 347728036 /nfs/dbraw/zinc/72/80/36/347728036.db2.gz GXTKDGWTROABEW-UHFFFAOYSA-N 1 2 245.326 1.812 20 30 BDEDLO COCC[NH+](CCOC)Cc1ccncc1C#N ZINC000592058253 347731969 /nfs/dbraw/zinc/73/19/69/347731969.db2.gz FNLGLFXIIKHSSV-UHFFFAOYSA-N 1 2 249.314 1.048 20 30 BDEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cn[nH]c1 ZINC000592102993 347733939 /nfs/dbraw/zinc/73/39/39/347733939.db2.gz KGXITRACLRUHDC-VIFPVBQESA-N 1 2 227.271 1.527 20 30 BDEDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccncc1C#N ZINC000592122521 347737339 /nfs/dbraw/zinc/73/73/39/347737339.db2.gz LZBUJSQWQKXBCE-VHSXEESVSA-N 1 2 201.273 1.793 20 30 BDEDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccncc1C#N ZINC000592122521 347737341 /nfs/dbraw/zinc/73/73/41/347737341.db2.gz LZBUJSQWQKXBCE-VHSXEESVSA-N 1 2 201.273 1.793 20 30 BDEDLO CC[N@H+](Cc1ccncc1C#N)[C@@H]1CCOC1 ZINC000592123090 347737758 /nfs/dbraw/zinc/73/77/58/347737758.db2.gz VCNLADPBOMHCIJ-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[N@@H+](Cc1ccncc1C#N)[C@@H]1CCOC1 ZINC000592123090 347737760 /nfs/dbraw/zinc/73/77/60/347737760.db2.gz VCNLADPBOMHCIJ-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO CO[C@@H](C)C[N@H+](C)Cc1ccncc1C#N ZINC000592123682 347738506 /nfs/dbraw/zinc/73/85/06/347738506.db2.gz XZMYMXYUSQOUNW-JTQLQIEISA-N 1 2 219.288 1.420 20 30 BDEDLO CO[C@@H](C)C[N@@H+](C)Cc1ccncc1C#N ZINC000592123682 347738507 /nfs/dbraw/zinc/73/85/07/347738507.db2.gz XZMYMXYUSQOUNW-JTQLQIEISA-N 1 2 219.288 1.420 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccncc2F)C1 ZINC000592155107 347745374 /nfs/dbraw/zinc/74/53/74/347745374.db2.gz XZGUSVLYYBQFIO-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccncc2F)C1 ZINC000592155107 347745375 /nfs/dbraw/zinc/74/53/75/347745375.db2.gz XZGUSVLYYBQFIO-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO C=CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OCC ZINC000592514837 347793193 /nfs/dbraw/zinc/79/31/93/347793193.db2.gz CSOXSNATXPGUMH-WOPDTQHZSA-N 1 2 241.331 1.651 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCc2cn[nH]c2C1 ZINC000593019633 347845827 /nfs/dbraw/zinc/84/58/27/347845827.db2.gz WWACGILZQVUHBI-SECBINFHSA-N 1 2 204.277 1.460 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCc2cn[nH]c2C1 ZINC000593019633 347845830 /nfs/dbraw/zinc/84/58/30/347845830.db2.gz WWACGILZQVUHBI-SECBINFHSA-N 1 2 204.277 1.460 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCc2c[nH]nc2C1 ZINC000593019633 347845831 /nfs/dbraw/zinc/84/58/31/347845831.db2.gz WWACGILZQVUHBI-SECBINFHSA-N 1 2 204.277 1.460 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCc2c[nH]nc2C1 ZINC000593019633 347845834 /nfs/dbraw/zinc/84/58/34/347845834.db2.gz WWACGILZQVUHBI-SECBINFHSA-N 1 2 204.277 1.460 20 30 BDEDLO Cc1cn2c([nH+]1)CN([C@@H](C)CCC#N)CC2 ZINC000593022720 347846822 /nfs/dbraw/zinc/84/68/22/347846822.db2.gz JBEWCRVCBZDIRK-NSHDSACASA-N 1 2 218.304 1.699 20 30 BDEDLO CCN(C[C@H](C)C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593406740 347884682 /nfs/dbraw/zinc/88/46/82/347884682.db2.gz FMWBTKFXFABKAH-NEPJUHHUSA-N 1 2 248.330 1.842 20 30 BDEDLO C[C@@H](C#N)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593457222 347899306 /nfs/dbraw/zinc/89/93/06/347899306.db2.gz KBOYEJJFRHWKNB-JTQLQIEISA-N 1 2 246.314 1.038 20 30 BDEDLO CC[C@@H](C#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000593528440 347911462 /nfs/dbraw/zinc/91/14/62/347911462.db2.gz LONUZNAMOUKXGP-NSHDSACASA-N 1 2 242.282 1.500 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCCC#N ZINC000594235647 348021734 /nfs/dbraw/zinc/02/17/34/348021734.db2.gz YLVOPDCSYODHHF-LLVKDONJSA-N 1 2 234.303 1.472 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000594537958 348065559 /nfs/dbraw/zinc/06/55/59/348065559.db2.gz OMEOCZJISPJOMS-MFKMUULPSA-N 1 2 243.310 1.832 20 30 BDEDLO C[C@H](CNC(=O)CCCCC#N)Cn1cc[nH+]c1 ZINC000594297266 348031922 /nfs/dbraw/zinc/03/19/22/348031922.db2.gz HCKKSWUPWJANER-GFCCVEGCSA-N 1 2 248.330 1.719 20 30 BDEDLO N#CCCCCC(=O)NCCNc1cccc[nH+]1 ZINC000594422923 348050431 /nfs/dbraw/zinc/05/04/31/348050431.db2.gz LJTJKPFISGGSKZ-UHFFFAOYSA-N 1 2 246.314 1.694 20 30 BDEDLO C#CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119053931 348200054 /nfs/dbraw/zinc/20/00/54/348200054.db2.gz KRXMCJVAKLZENL-NEPJUHHUSA-N 1 2 246.314 1.109 20 30 BDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595399039 348238290 /nfs/dbraw/zinc/23/82/90/348238290.db2.gz UVBAKDZODQCAEQ-ZDUSSCGKSA-N 1 2 247.346 1.075 20 30 BDEDLO CCN1CC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595422550 348245517 /nfs/dbraw/zinc/24/55/17/348245517.db2.gz APFDAKOIGRWEGU-YPMHNXCESA-N 1 2 235.331 1.233 20 30 BDEDLO CCN1CC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000595422550 348245519 /nfs/dbraw/zinc/24/55/19/348245519.db2.gz APFDAKOIGRWEGU-YPMHNXCESA-N 1 2 235.331 1.233 20 30 BDEDLO C[C@H](NC(=O)NCCCCC#N)c1[nH+]ccn1C ZINC000595489454 348261508 /nfs/dbraw/zinc/26/15/08/348261508.db2.gz SMUXKXOZPXRMKB-JTQLQIEISA-N 1 2 249.318 1.474 20 30 BDEDLO CCc1nnc([C@H](C)[NH2+][C@H](CC)CC#N)[nH]1 ZINC000595530485 348273301 /nfs/dbraw/zinc/27/33/01/348273301.db2.gz QROOMGMOAFYTBP-DTWKUNHWSA-N 1 2 221.308 1.710 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569411 348284763 /nfs/dbraw/zinc/28/47/63/348284763.db2.gz XZQPAWFMAXXEEZ-AXFHLTTASA-N 1 2 209.289 1.588 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569411 348284766 /nfs/dbraw/zinc/28/47/66/348284766.db2.gz XZQPAWFMAXXEEZ-AXFHLTTASA-N 1 2 209.289 1.588 20 30 BDEDLO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC#N)cn1 ZINC000595771954 348336731 /nfs/dbraw/zinc/33/67/31/348336731.db2.gz QZUQBTNWEXWEPY-VXGBXAGGSA-N 1 2 218.304 1.244 20 30 BDEDLO CC[N@H+](CCCSCC#N)[C@H](C)C#N ZINC000595814603 348342893 /nfs/dbraw/zinc/34/28/93/348342893.db2.gz WLURQUUHDCPBAF-SNVBAGLBSA-N 1 2 211.334 1.867 20 30 BDEDLO CC[N@@H+](CCCSCC#N)[C@H](C)C#N ZINC000595814603 348342895 /nfs/dbraw/zinc/34/28/95/348342895.db2.gz WLURQUUHDCPBAF-SNVBAGLBSA-N 1 2 211.334 1.867 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000595833318 348367391 /nfs/dbraw/zinc/36/73/91/348367391.db2.gz GMBOMWUWSJLLGM-CQSZACIVSA-N 1 2 243.310 1.521 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000595833318 348367394 /nfs/dbraw/zinc/36/73/94/348367394.db2.gz GMBOMWUWSJLLGM-CQSZACIVSA-N 1 2 243.310 1.521 20 30 BDEDLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834712 348368104 /nfs/dbraw/zinc/36/81/04/348368104.db2.gz NWHJHPYMKQRXRC-JSGCOSHPSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834712 348368107 /nfs/dbraw/zinc/36/81/07/348368107.db2.gz NWHJHPYMKQRXRC-JSGCOSHPSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835217 348369428 /nfs/dbraw/zinc/36/94/28/348369428.db2.gz PUXXULANEAXYAL-GWCFXTLKSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835217 348369431 /nfs/dbraw/zinc/36/94/31/348369431.db2.gz PUXXULANEAXYAL-GWCFXTLKSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000595835441 348369480 /nfs/dbraw/zinc/36/94/80/348369480.db2.gz PVKWDSKXUGTDQQ-AWEZNQCLSA-N 1 2 249.358 1.625 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000595835441 348369481 /nfs/dbraw/zinc/36/94/81/348369481.db2.gz PVKWDSKXUGTDQQ-AWEZNQCLSA-N 1 2 249.358 1.625 20 30 BDEDLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595837440 348371142 /nfs/dbraw/zinc/37/11/42/348371142.db2.gz GUWKILBZIKCCFE-DGCLKSJQSA-N 1 2 235.331 1.231 20 30 BDEDLO CC(C)N1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595837440 348371144 /nfs/dbraw/zinc/37/11/44/348371144.db2.gz GUWKILBZIKCCFE-DGCLKSJQSA-N 1 2 235.331 1.231 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595839086 348372443 /nfs/dbraw/zinc/37/24/43/348372443.db2.gz YRIYRILZDDIFCC-NSHDSACASA-N 1 2 249.274 1.027 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595839086 348372446 /nfs/dbraw/zinc/37/24/46/348372446.db2.gz YRIYRILZDDIFCC-NSHDSACASA-N 1 2 249.274 1.027 20 30 BDEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595844045 348381311 /nfs/dbraw/zinc/38/13/11/348381311.db2.gz PKTGZLYVRIZVMB-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595844045 348381312 /nfs/dbraw/zinc/38/13/12/348381312.db2.gz PKTGZLYVRIZVMB-CYBMUJFWSA-N 1 2 231.299 1.826 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000595864061 348383693 /nfs/dbraw/zinc/38/36/93/348383693.db2.gz OHVKPMAYLZAVOA-MRVPVSSYSA-N 1 2 240.234 1.370 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595845070 348354236 /nfs/dbraw/zinc/35/42/36/348354236.db2.gz YHCXSRYXYNXBDD-YPMHNXCESA-N 1 2 233.315 1.009 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595845070 348354241 /nfs/dbraw/zinc/35/42/41/348354241.db2.gz YHCXSRYXYNXBDD-YPMHNXCESA-N 1 2 233.315 1.009 20 30 BDEDLO CC[N@H+](C[C@@H](O)CCOC(C)C)[C@H](C)C#N ZINC000595819416 348359670 /nfs/dbraw/zinc/35/96/70/348359670.db2.gz ADLBDCIMUNFMDA-NEPJUHHUSA-N 1 2 228.336 1.396 20 30 BDEDLO CC[N@@H+](C[C@@H](O)CCOC(C)C)[C@H](C)C#N ZINC000595819416 348359671 /nfs/dbraw/zinc/35/96/71/348359671.db2.gz ADLBDCIMUNFMDA-NEPJUHHUSA-N 1 2 228.336 1.396 20 30 BDEDLO CCOCC[C@H](O)C[N@H+](CC)[C@H](C)C#N ZINC000595820054 348361150 /nfs/dbraw/zinc/36/11/50/348361150.db2.gz INFSIFFLJPOHQO-MNOVXSKESA-N 1 2 214.309 1.008 20 30 BDEDLO CCOCC[C@H](O)C[N@@H+](CC)[C@H](C)C#N ZINC000595820054 348361152 /nfs/dbraw/zinc/36/11/52/348361152.db2.gz INFSIFFLJPOHQO-MNOVXSKESA-N 1 2 214.309 1.008 20 30 BDEDLO CC1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595833022 348366341 /nfs/dbraw/zinc/36/63/41/348366341.db2.gz DZBXXHSENJCHKJ-AWEZNQCLSA-N 1 2 249.358 1.480 20 30 BDEDLO CC1CCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595833022 348366344 /nfs/dbraw/zinc/36/63/44/348366344.db2.gz DZBXXHSENJCHKJ-AWEZNQCLSA-N 1 2 249.358 1.480 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000419362974 192127548 /nfs/dbraw/zinc/12/75/48/192127548.db2.gz YLTWSMBMQIKOAQ-JTQLQIEISA-N 1 2 224.304 1.467 20 30 BDEDLO C=CCOCCSCCn1cc[nH+]c1 ZINC000419507821 192138336 /nfs/dbraw/zinc/13/83/36/192138336.db2.gz PNTPGENSXQFPNQ-UHFFFAOYSA-N 1 2 212.318 1.819 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cc(C#N)cnn1 ZINC000596166605 348460490 /nfs/dbraw/zinc/46/04/90/348460490.db2.gz WIUDMUYQIWJNOE-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO Cc1ccn(CCc2c[nH+]cn2C)c(=O)c1C#N ZINC000596261436 348478394 /nfs/dbraw/zinc/47/83/94/348478394.db2.gz UGEUMZWVIWDHTR-UHFFFAOYSA-N 1 2 242.282 1.005 20 30 BDEDLO Cc1cc(N2C[C@@H](C)[C@@](C)(CO)C2)c(C#N)c[nH+]1 ZINC000596545721 348584864 /nfs/dbraw/zinc/58/48/64/348584864.db2.gz URHGJRYEKOQDEB-QMTHXVAHSA-N 1 2 245.326 1.716 20 30 BDEDLO Cc1cc(N[C@H]2C[C@H](O)C23CCC3)c(C#N)c[nH+]1 ZINC000596504625 348571316 /nfs/dbraw/zinc/57/13/16/348571316.db2.gz HXRQNAORLQHTDR-STQMWFEESA-N 1 2 243.310 1.399 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597035382 348646479 /nfs/dbraw/zinc/64/64/79/348646479.db2.gz FIYHKLZIRNPXQW-NOZJJQNGSA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597035382 348646480 /nfs/dbraw/zinc/64/64/80/348646480.db2.gz FIYHKLZIRNPXQW-NOZJJQNGSA-N 1 2 246.314 1.323 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597041018 348648954 /nfs/dbraw/zinc/64/89/54/348648954.db2.gz DNOVSZURBKHRRB-QWRGUYRKSA-N 1 2 246.314 1.254 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)CC#N ZINC000597018144 348651042 /nfs/dbraw/zinc/65/10/42/348651042.db2.gz CWELEXLHAYYFPG-QMMMGPOBSA-N 1 2 219.244 1.578 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cnc2n1CCC2 ZINC000597083870 348655154 /nfs/dbraw/zinc/65/51/54/348655154.db2.gz VUJRYDIBKVOYNB-UHFFFAOYSA-N 1 2 218.304 1.469 20 30 BDEDLO CC(C)(C#N)CNCc1c[nH+]c2n1CCC2 ZINC000597083870 348655158 /nfs/dbraw/zinc/65/51/58/348655158.db2.gz VUJRYDIBKVOYNB-UHFFFAOYSA-N 1 2 218.304 1.469 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597146686 348664455 /nfs/dbraw/zinc/66/44/55/348664455.db2.gz XIHOVCPPGJXOTK-HBNTYKKESA-N 1 2 246.314 1.284 20 30 BDEDLO N#CC1(C[NH2+]Cc2cn(C3CCC3)nn2)CCC1 ZINC000597152412 348665409 /nfs/dbraw/zinc/66/54/09/348665409.db2.gz ABLBAZLKSIMYKI-UHFFFAOYSA-N 1 2 245.330 1.787 20 30 BDEDLO CCCn1nccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000597157042 348665793 /nfs/dbraw/zinc/66/57/93/348665793.db2.gz NWSNHLWKBQBFHN-ZDUSSCGKSA-N 1 2 248.330 1.144 20 30 BDEDLO CCCn1nccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000597157042 348665797 /nfs/dbraw/zinc/66/57/97/348665797.db2.gz NWSNHLWKBQBFHN-ZDUSSCGKSA-N 1 2 248.330 1.144 20 30 BDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CCC1 ZINC000596948210 348639074 /nfs/dbraw/zinc/63/90/74/348639074.db2.gz GIASXHFFMKURDT-NXEZZACHSA-N 1 2 244.298 1.086 20 30 BDEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1C#N ZINC000597204222 348677931 /nfs/dbraw/zinc/67/79/31/348677931.db2.gz URCDVBWWLQMFJO-UHFFFAOYSA-N 1 2 241.294 1.912 20 30 BDEDLO Cc1cc(NC(=O)[C@H](C)CC#N)cc[nH+]1 ZINC000597216164 348690456 /nfs/dbraw/zinc/69/04/56/348690456.db2.gz SKWAALAFSWRPPB-MRVPVSSYSA-N 1 2 203.245 1.300 20 30 BDEDLO CC[C@H](NC(=O)[C@@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000597518053 348748857 /nfs/dbraw/zinc/74/88/57/348748857.db2.gz AQBLRRKBKNPKRS-IUCAKERBSA-N 1 2 220.276 1.527 20 30 BDEDLO Cc1cc(C)c(CNC(=O)[C@H](C)CC#N)c[nH+]1 ZINC000597751136 348813963 /nfs/dbraw/zinc/81/39/63/348813963.db2.gz RSBLPDUNUIDPTE-SECBINFHSA-N 1 2 231.299 1.864 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCCCC#N ZINC000597856189 348827845 /nfs/dbraw/zinc/82/78/45/348827845.db2.gz FUCCOXNURYNODC-UHFFFAOYSA-N 1 2 234.303 1.842 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCCCC#N ZINC000597856189 348827849 /nfs/dbraw/zinc/82/78/49/348827849.db2.gz FUCCOXNURYNODC-UHFFFAOYSA-N 1 2 234.303 1.842 20 30 BDEDLO C[C@H](C#N)N(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000598136711 348904222 /nfs/dbraw/zinc/90/42/22/348904222.db2.gz JEEJCVASGQNPCD-GHMZBOCLSA-N 1 2 246.314 1.737 20 30 BDEDLO C[C@@H](C#N)N(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000598137687 348904704 /nfs/dbraw/zinc/90/47/04/348904704.db2.gz MJNXPGIERNNICW-JTQLQIEISA-N 1 2 246.314 1.256 20 30 BDEDLO C[C@H](NC(=O)C1(C#N)CC(C)C1)c1[nH+]ccn1C ZINC000598464304 348978067 /nfs/dbraw/zinc/97/80/67/348978067.db2.gz HHWBGKPDTSITOZ-QUNCOHTASA-N 1 2 246.314 1.537 20 30 BDEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948537 349071015 /nfs/dbraw/zinc/07/10/15/349071015.db2.gz RDSLMRVWKMCZOJ-SNVBAGLBSA-N 1 2 246.314 1.254 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947100 349065290 /nfs/dbraw/zinc/06/52/90/349065290.db2.gz JOJXPSYYDBNZCQ-GWCFXTLKSA-N 1 2 246.314 1.254 20 30 BDEDLO Cc1ccc(C#N)nc1NC[C@H]1COCC[N@H+]1C ZINC000599161970 349109737 /nfs/dbraw/zinc/10/97/37/349109737.db2.gz ZLBNTFAYIXQURJ-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C#N)nc1NC[C@H]1COCC[N@@H+]1C ZINC000599161970 349109740 /nfs/dbraw/zinc/10/97/40/349109740.db2.gz ZLBNTFAYIXQURJ-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C#N)nc1NC[C@@H]1COCC[N@H+]1C ZINC000599161969 349109913 /nfs/dbraw/zinc/10/99/13/349109913.db2.gz ZLBNTFAYIXQURJ-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C#N)nc1NC[C@@H]1COCC[N@@H+]1C ZINC000599161969 349109914 /nfs/dbraw/zinc/10/99/14/349109914.db2.gz ZLBNTFAYIXQURJ-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1C#N ZINC000599380440 349163329 /nfs/dbraw/zinc/16/33/29/349163329.db2.gz VEIZIZGHYTWYMN-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1C#N ZINC000599380440 349163330 /nfs/dbraw/zinc/16/33/30/349163330.db2.gz VEIZIZGHYTWYMN-KBPBESRZSA-N 1 2 248.301 1.771 20 30 BDEDLO CCO[C@@H](C[NH+]1CC(C)(C#N)C1)C1CC1 ZINC000599394669 349170915 /nfs/dbraw/zinc/17/09/15/349170915.db2.gz ZUIXZEVZRMTNGF-NSHDSACASA-N 1 2 208.305 1.647 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)nc1 ZINC000599644242 349239642 /nfs/dbraw/zinc/23/96/42/349239642.db2.gz XNSGCNWPINXVKY-ZDUSSCGKSA-N 1 2 249.289 1.514 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)nc1 ZINC000599644242 349239645 /nfs/dbraw/zinc/23/96/45/349239645.db2.gz XNSGCNWPINXVKY-ZDUSSCGKSA-N 1 2 249.289 1.514 20 30 BDEDLO C=CCOCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599651167 349234313 /nfs/dbraw/zinc/23/43/13/349234313.db2.gz DLKMTYGQPZATOF-UHFFFAOYSA-N 1 2 243.347 1.899 20 30 BDEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[C@@H]1C#N ZINC000601820407 349353383 /nfs/dbraw/zinc/35/33/83/349353383.db2.gz OIPMDFWFWRNSEH-ZYHUDNBSSA-N 1 2 246.314 1.113 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024808853 350006666 /nfs/dbraw/zinc/00/66/66/350006666.db2.gz PXNBTGXMQOIZCA-UHFFFAOYSA-N 1 2 243.310 1.931 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024808853 350006669 /nfs/dbraw/zinc/00/66/69/350006669.db2.gz PXNBTGXMQOIZCA-UHFFFAOYSA-N 1 2 243.310 1.931 20 30 BDEDLO Cc1nc(N[C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000291627213 180024067 /nfs/dbraw/zinc/02/40/67/180024067.db2.gz LBWUXRKNGDWCHH-SNVBAGLBSA-N 1 2 241.298 1.959 20 30 BDEDLO C=CCOCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000618524459 350131814 /nfs/dbraw/zinc/13/18/14/350131814.db2.gz FOLVVLIVHROMFS-UHFFFAOYSA-N 1 2 237.303 1.051 20 30 BDEDLO C=CCOCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000618524459 350131817 /nfs/dbraw/zinc/13/18/17/350131817.db2.gz FOLVVLIVHROMFS-UHFFFAOYSA-N 1 2 237.303 1.051 20 30 BDEDLO CCc1nnc(C2CC[NH+](CCC#N)CC2)[nH]1 ZINC000365225686 350172646 /nfs/dbraw/zinc/17/26/46/350172646.db2.gz VOJLDVXMRAPYRW-UHFFFAOYSA-N 1 2 233.319 1.460 20 30 BDEDLO C#CCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000365231071 350173520 /nfs/dbraw/zinc/17/35/20/350173520.db2.gz MGOJAMIPBAITBF-UHFFFAOYSA-N 1 2 231.299 1.337 20 30 BDEDLO CCN(CCC[NH+]1CCOCC1)C[C@@H](C)C#N ZINC000157770620 191094878 /nfs/dbraw/zinc/09/48/78/191094878.db2.gz DXGBYWONZQGHNF-ZDUSSCGKSA-N 1 2 239.363 1.190 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000337088569 350555570 /nfs/dbraw/zinc/55/55/70/350555570.db2.gz HKPZLTLWXVWWOW-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO CC[C@H](SC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577573040 365986084 /nfs/dbraw/zinc/98/60/84/365986084.db2.gz IHWZSIXOVBEQCA-ONGXEEELSA-N 1 2 243.376 1.088 20 30 BDEDLO Cc1nnc([C@@H](C)[NH2+]CC2(CC#N)CC2)o1 ZINC000309533764 350707158 /nfs/dbraw/zinc/70/71/58/350707158.db2.gz DRFWDPWWTBJXQW-MRVPVSSYSA-N 1 2 220.276 1.723 20 30 BDEDLO N#Cc1cccc(NCc2ccc(N)[nH+]c2)n1 ZINC000302821685 191120995 /nfs/dbraw/zinc/12/09/95/191120995.db2.gz KFGMHXGQGKPHHG-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397572890 350920736 /nfs/dbraw/zinc/92/07/36/350920736.db2.gz CMPOTKOFJXOCAZ-ZJUUUORDSA-N 1 2 210.277 1.174 20 30 BDEDLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397572890 350920737 /nfs/dbraw/zinc/92/07/37/350920737.db2.gz CMPOTKOFJXOCAZ-ZJUUUORDSA-N 1 2 210.277 1.174 20 30 BDEDLO COCC[N@@H+](CCC#N)CCSC ZINC000129251461 351016132 /nfs/dbraw/zinc/01/61/32/351016132.db2.gz BFWRMVQCSGZVIS-UHFFFAOYSA-N 1 2 202.323 1.211 20 30 BDEDLO COCC[N@H+](CCC#N)CCSC ZINC000129251461 351016136 /nfs/dbraw/zinc/01/61/36/351016136.db2.gz BFWRMVQCSGZVIS-UHFFFAOYSA-N 1 2 202.323 1.211 20 30 BDEDLO Cc1cnc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000231653381 351034821 /nfs/dbraw/zinc/03/48/21/351034821.db2.gz LRHDWVSMUYGWNY-UHFFFAOYSA-N 1 2 205.261 1.767 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)n[nH]c1C ZINC000052868434 351074041 /nfs/dbraw/zinc/07/40/41/351074041.db2.gz LFQWSBSQKRYBOX-UHFFFAOYSA-N 1 2 248.330 1.639 20 30 BDEDLO C=CCCC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000398120511 363012787 /nfs/dbraw/zinc/01/27/87/363012787.db2.gz GNVSAEMDJPCBII-MRVPVSSYSA-N 1 2 221.308 1.171 20 30 BDEDLO C=CCCC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000398120511 363012790 /nfs/dbraw/zinc/01/27/90/363012790.db2.gz GNVSAEMDJPCBII-MRVPVSSYSA-N 1 2 221.308 1.171 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000271111512 351401161 /nfs/dbraw/zinc/40/11/61/351401161.db2.gz BTEJYRRZLQNJNB-SECBINFHSA-N 1 2 206.293 1.320 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)C[C@H](C)C#N ZINC000271111512 351401165 /nfs/dbraw/zinc/40/11/65/351401165.db2.gz BTEJYRRZLQNJNB-SECBINFHSA-N 1 2 206.293 1.320 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H]1CC[C@@H](C)O1 ZINC000232001486 351507271 /nfs/dbraw/zinc/50/72/71/351507271.db2.gz UUJFBPNZQFBYPL-VXGBXAGGSA-N 1 2 226.320 1.416 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H]1CC[C@@H](C)O1 ZINC000232001486 351507274 /nfs/dbraw/zinc/50/72/74/351507274.db2.gz UUJFBPNZQFBYPL-VXGBXAGGSA-N 1 2 226.320 1.416 20 30 BDEDLO N#CCCCNc1cc(NCCCC#N)[nH+]cn1 ZINC000274784612 351582317 /nfs/dbraw/zinc/58/23/17/351582317.db2.gz XBLLIPQUNXMXJE-UHFFFAOYSA-N 1 2 244.302 1.908 20 30 BDEDLO CC1(C)CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C#N ZINC000277413038 351704618 /nfs/dbraw/zinc/70/46/18/351704618.db2.gz CHWZVINIPMMKIC-LLVKDONJSA-N 1 2 246.314 1.424 20 30 BDEDLO NC(CCO)=[NH+]OCc1cccc(C(F)F)c1 ZINC000279889898 351828014 /nfs/dbraw/zinc/82/80/14/351828014.db2.gz OMFWTSSYANOSJW-UHFFFAOYSA-N 1 2 244.241 1.795 20 30 BDEDLO N#CC1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000282193992 351925755 /nfs/dbraw/zinc/92/57/55/351925755.db2.gz GKAKVPBQBYJVAG-UHFFFAOYSA-N 1 2 246.314 1.329 20 30 BDEDLO C#CCN(CC#N)Cc1cc(OC)cc[nH+]1 ZINC000281283153 351885948 /nfs/dbraw/zinc/88/59/48/351885948.db2.gz GSOJECAMRRHBPQ-UHFFFAOYSA-N 1 2 215.256 1.049 20 30 BDEDLO N#CCc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000340151448 351945318 /nfs/dbraw/zinc/94/53/18/351945318.db2.gz UKNSEYJJUMDRPH-UHFFFAOYSA-N 1 2 240.266 1.406 20 30 BDEDLO Cc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)cs1 ZINC000284623694 352001861 /nfs/dbraw/zinc/00/18/61/352001861.db2.gz ZSHROBSXGUTIPR-VIFPVBQESA-N 1 2 241.316 1.419 20 30 BDEDLO Cn1nccc1C1=CC[N@H+](CCC#N)CC1 ZINC000285579114 352051962 /nfs/dbraw/zinc/05/19/62/352051962.db2.gz KVBOQUSYZANDNY-UHFFFAOYSA-N 1 2 216.288 1.423 20 30 BDEDLO Cn1nccc1C1=CC[N@@H+](CCC#N)CC1 ZINC000285579114 352051966 /nfs/dbraw/zinc/05/19/66/352051966.db2.gz KVBOQUSYZANDNY-UHFFFAOYSA-N 1 2 216.288 1.423 20 30 BDEDLO CC#CCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613320935 363102919 /nfs/dbraw/zinc/10/29/19/363102919.db2.gz QLKKUVXNSKYBPX-JTQLQIEISA-N 1 2 231.299 1.044 20 30 BDEDLO CC#CCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613320935 363102924 /nfs/dbraw/zinc/10/29/24/363102924.db2.gz QLKKUVXNSKYBPX-JTQLQIEISA-N 1 2 231.299 1.044 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000286732893 352103510 /nfs/dbraw/zinc/10/35/10/352103510.db2.gz KABJTKMWGSVUBD-ZDUSSCGKSA-N 1 2 248.330 1.671 20 30 BDEDLO CC(C)CN1CC[N@@H+]([C@H](C)CCC#N)CC1=O ZINC000411564054 191193798 /nfs/dbraw/zinc/19/37/98/191193798.db2.gz DQEFBPPOYRHVAG-GFCCVEGCSA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)CN1CC[N@H+]([C@H](C)CCC#N)CC1=O ZINC000411564054 191193800 /nfs/dbraw/zinc/19/38/00/191193800.db2.gz DQEFBPPOYRHVAG-GFCCVEGCSA-N 1 2 237.347 1.479 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)C[C@H](C)OC ZINC000383189347 352546840 /nfs/dbraw/zinc/54/68/40/352546840.db2.gz UVVLLJNWYHHLNK-UWVGGRQHSA-N 1 2 215.293 1.071 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)C[C@H](C)OC ZINC000383189347 352546842 /nfs/dbraw/zinc/54/68/42/352546842.db2.gz UVVLLJNWYHHLNK-UWVGGRQHSA-N 1 2 215.293 1.071 20 30 BDEDLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[C@H]1O ZINC000329291105 538108815 /nfs/dbraw/zinc/10/88/15/538108815.db2.gz QSXUADLSNLHDLG-GXSJLCMTSA-N 1 2 237.303 1.460 20 30 BDEDLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H]1O ZINC000329291105 538108816 /nfs/dbraw/zinc/10/88/16/538108816.db2.gz QSXUADLSNLHDLG-GXSJLCMTSA-N 1 2 237.303 1.460 20 30 BDEDLO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ncn(C)n1 ZINC000336756088 353152643 /nfs/dbraw/zinc/15/26/43/353152643.db2.gz YIKNXKQPGLMAAC-GUBZILKMSA-N 1 2 219.292 1.158 20 30 BDEDLO Cc1[nH]c(C(=O)N[C@](C)(CO)C(C)C)c[nH+]1 ZINC000331218431 353231434 /nfs/dbraw/zinc/23/14/34/353231434.db2.gz XDVVOECYRJUIFR-LLVKDONJSA-N 1 2 225.292 1.430 20 30 BDEDLO N#C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000160158970 353258306 /nfs/dbraw/zinc/25/83/06/353258306.db2.gz RGYDNKHMWSYBIE-GFCCVEGCSA-N 1 2 242.282 1.059 20 30 BDEDLO C=C[C@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000128524349 353289585 /nfs/dbraw/zinc/28/95/85/353289585.db2.gz USLKDIGUSAQQDH-JTQLQIEISA-N 1 2 244.298 1.708 20 30 BDEDLO C=CC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000289990829 353296224 /nfs/dbraw/zinc/29/62/24/353296224.db2.gz SIIPGPLRVUZAAJ-SECBINFHSA-N 1 2 225.292 1.831 20 30 BDEDLO COC[C@@H]([NH2+]CC1(C#N)CC1)c1ccco1 ZINC000336771544 353309260 /nfs/dbraw/zinc/30/92/60/353309260.db2.gz UPNZVKRPPYTECO-SNVBAGLBSA-N 1 2 220.272 1.860 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@](C)(CCC)C(=O)OC ZINC000128600606 353298345 /nfs/dbraw/zinc/29/83/45/353298345.db2.gz FLGYUDKFFKVVIJ-AAEUAGOBSA-N 1 2 243.347 1.635 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1c(F)cccc1F ZINC000076185627 353332146 /nfs/dbraw/zinc/33/21/46/353332146.db2.gz WBEYDTGJAMDCSN-CYBMUJFWSA-N 1 2 249.260 1.567 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000058506666 353411608 /nfs/dbraw/zinc/41/16/08/353411608.db2.gz FCJSNOGLXPRQDC-UHFFFAOYSA-N 1 2 236.702 1.844 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000058506666 353411613 /nfs/dbraw/zinc/41/16/13/353411613.db2.gz FCJSNOGLXPRQDC-UHFFFAOYSA-N 1 2 236.702 1.844 20 30 BDEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000182476023 353478357 /nfs/dbraw/zinc/47/83/57/353478357.db2.gz OBJFANMRGDUJDL-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000182476023 353478360 /nfs/dbraw/zinc/47/83/60/353478360.db2.gz OBJFANMRGDUJDL-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO C=C(Cl)C[N@@H+](CCCCC)CC(N)=O ZINC000183051815 353507553 /nfs/dbraw/zinc/50/75/53/353507553.db2.gz BGTVQFFNLWYIOH-UHFFFAOYSA-N 1 2 218.728 1.716 20 30 BDEDLO C=C(Cl)C[N@H+](CCCCC)CC(N)=O ZINC000183051815 353507556 /nfs/dbraw/zinc/50/75/56/353507556.db2.gz BGTVQFFNLWYIOH-UHFFFAOYSA-N 1 2 218.728 1.716 20 30 BDEDLO C#CCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284298485 353510907 /nfs/dbraw/zinc/51/09/07/353510907.db2.gz GMAXWXRNPSIHGN-VOTSOKGWSA-N 1 2 217.272 1.343 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000135040519 353526863 /nfs/dbraw/zinc/52/68/63/353526863.db2.gz FPVWNAYMMZZOKL-LLVKDONJSA-N 1 2 207.277 1.628 20 30 BDEDLO C=C(C)CCc1noc(Cn2cc[nH+]c2)n1 ZINC000285157996 353530165 /nfs/dbraw/zinc/53/01/65/353530165.db2.gz PGFLJTYGKJQOBW-UHFFFAOYSA-N 1 2 218.260 1.823 20 30 BDEDLO C#CC[N@@H+](Cc1ccccc1)CC1OCCO1 ZINC000285749716 353550029 /nfs/dbraw/zinc/55/00/29/353550029.db2.gz QUMZPSSVFIXLCJ-UHFFFAOYSA-N 1 2 231.295 1.495 20 30 BDEDLO C#CC[N@H+](Cc1ccccc1)CC1OCCO1 ZINC000285749716 353550032 /nfs/dbraw/zinc/55/00/32/353550032.db2.gz QUMZPSSVFIXLCJ-UHFFFAOYSA-N 1 2 231.295 1.495 20 30 BDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000192235763 353538364 /nfs/dbraw/zinc/53/83/64/353538364.db2.gz LCLKHOLCPAJRRR-CQSZACIVSA-N 1 2 242.322 1.665 20 30 BDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000192235763 353538365 /nfs/dbraw/zinc/53/83/65/353538365.db2.gz LCLKHOLCPAJRRR-CQSZACIVSA-N 1 2 242.322 1.665 20 30 BDEDLO C#CCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000192176750 353546000 /nfs/dbraw/zinc/54/60/00/353546000.db2.gz XORSFOZZRSODQI-UHFFFAOYSA-N 1 2 233.315 1.535 20 30 BDEDLO C=C(C)C[N@@H+](CC)Cc1ncnn1CC ZINC000193301359 353589738 /nfs/dbraw/zinc/58/97/38/353589738.db2.gz XMYXPZXXUAPLDR-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO C=C(C)C[N@H+](CC)Cc1ncnn1CC ZINC000193301359 353589741 /nfs/dbraw/zinc/58/97/41/353589741.db2.gz XMYXPZXXUAPLDR-UHFFFAOYSA-N 1 2 208.309 1.696 20 30 BDEDLO N#CC[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425543279 353564631 /nfs/dbraw/zinc/56/46/31/353564631.db2.gz OQNZUVTURXDGKD-GFCCVEGCSA-N 1 2 238.331 1.057 20 30 BDEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nncn1C ZINC000287213420 353573358 /nfs/dbraw/zinc/57/33/58/353573358.db2.gz IRCOUWPJMCYSNW-SNVBAGLBSA-N 1 2 208.309 1.774 20 30 BDEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nncn1C ZINC000287213420 353573360 /nfs/dbraw/zinc/57/33/60/353573360.db2.gz IRCOUWPJMCYSNW-SNVBAGLBSA-N 1 2 208.309 1.774 20 30 BDEDLO C#CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000288542997 353608748 /nfs/dbraw/zinc/60/87/48/353608748.db2.gz SLHCADHDERJTJY-UHFFFAOYSA-N 1 2 246.339 1.078 20 30 BDEDLO C=CC[C@H](CC)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000291193193 353681917 /nfs/dbraw/zinc/68/19/17/353681917.db2.gz SXWJHLHFEONNID-QMMMGPOBSA-N 1 2 246.318 1.712 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000293131510 353734910 /nfs/dbraw/zinc/73/49/10/353734910.db2.gz MWEJPFNXTZQBKD-SNVBAGLBSA-N 1 2 219.288 1.507 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000293131510 353734914 /nfs/dbraw/zinc/73/49/14/353734914.db2.gz MWEJPFNXTZQBKD-SNVBAGLBSA-N 1 2 219.288 1.507 20 30 BDEDLO COc1cc(C[NH2+][C@H](C)CC#N)sn1 ZINC000399048688 353745453 /nfs/dbraw/zinc/74/54/53/353745453.db2.gz HCISGXGCSAWCCH-SSDOTTSWSA-N 1 2 211.290 1.543 20 30 BDEDLO C=CCC(F)(F)C(=O)NCCn1cc[nH+]c1 ZINC000293391619 353747712 /nfs/dbraw/zinc/74/77/12/353747712.db2.gz GYMOQVFNMSHBMF-UHFFFAOYSA-N 1 2 229.230 1.211 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000067128143 353832316 /nfs/dbraw/zinc/83/23/16/353832316.db2.gz GNKNKGKPHIHADN-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000067128143 353832319 /nfs/dbraw/zinc/83/23/19/353832319.db2.gz GNKNKGKPHIHADN-UHFFFAOYSA-N 1 2 246.310 1.589 20 30 BDEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000366848513 354023283 /nfs/dbraw/zinc/02/32/83/354023283.db2.gz GEDNKTXUNWTLIQ-RYUDHWBXSA-N 1 2 245.326 1.220 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2cocn2)s1 ZINC000336732586 181109460 /nfs/dbraw/zinc/10/94/60/181109460.db2.gz LKQIBIRKUGPOPW-UHFFFAOYSA-N 1 2 219.269 1.898 20 30 BDEDLO N#Cc1ccc(NCCn2cc[nH+]c2)nc1 ZINC000041042108 181122595 /nfs/dbraw/zinc/12/25/95/181122595.db2.gz OEZDMLAKMAAQMZ-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336479244 181113977 /nfs/dbraw/zinc/11/39/77/181113977.db2.gz GLDFNVXVFXWABJ-CYBMUJFWSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336479244 181113978 /nfs/dbraw/zinc/11/39/78/181113978.db2.gz GLDFNVXVFXWABJ-CYBMUJFWSA-N 1 2 246.285 1.654 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000082865053 181113982 /nfs/dbraw/zinc/11/39/82/181113982.db2.gz DYLQQFCWJSYJNN-GFCCVEGCSA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000082865053 181113984 /nfs/dbraw/zinc/11/39/84/181113984.db2.gz DYLQQFCWJSYJNN-GFCCVEGCSA-N 1 2 220.247 1.264 20 30 BDEDLO CC#CC[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000334810678 354567412 /nfs/dbraw/zinc/56/74/12/354567412.db2.gz ONVSCBOGJYXFIU-AWEZNQCLSA-N 1 2 213.346 1.243 20 30 BDEDLO CC#CC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000334810678 354567415 /nfs/dbraw/zinc/56/74/15/354567415.db2.gz ONVSCBOGJYXFIU-AWEZNQCLSA-N 1 2 213.346 1.243 20 30 BDEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368341166 181143100 /nfs/dbraw/zinc/14/31/00/181143100.db2.gz NIUXCXJHLSDSFH-UONOGXRCSA-N 1 2 244.294 1.410 20 30 BDEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368341166 181143102 /nfs/dbraw/zinc/14/31/02/181143102.db2.gz NIUXCXJHLSDSFH-UONOGXRCSA-N 1 2 244.294 1.410 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335097976 354638936 /nfs/dbraw/zinc/63/89/36/354638936.db2.gz FRPFCSFVUUQVEI-NSHDSACASA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCO[C@@H](CC)C1 ZINC000301044558 363374760 /nfs/dbraw/zinc/37/47/60/363374760.db2.gz MQOGHXLULNFEAM-QWRGUYRKSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000301044558 363374765 /nfs/dbraw/zinc/37/47/65/363374765.db2.gz MQOGHXLULNFEAM-QWRGUYRKSA-N 1 2 227.304 1.215 20 30 BDEDLO CCCN(CC#N)Cc1cc[nH+]c(N)c1 ZINC000299221277 535272924 /nfs/dbraw/zinc/27/29/24/535272924.db2.gz IMXUFNIATVUYRZ-UHFFFAOYSA-N 1 2 204.277 1.399 20 30 BDEDLO N#Cc1csc(CNc2ccc(CO)c[nH+]2)n1 ZINC000356305256 181166824 /nfs/dbraw/zinc/16/68/24/181166824.db2.gz QRFWGJWIZOBDGZ-UHFFFAOYSA-N 1 2 246.295 1.514 20 30 BDEDLO C=CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000346857444 355117651 /nfs/dbraw/zinc/11/76/51/355117651.db2.gz QPJDKHVFTKRXID-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO N#Cc1nccnc1NCCCn1cc[nH+]c1 ZINC000054377181 181174461 /nfs/dbraw/zinc/17/44/61/181174461.db2.gz RLSSIOJHWVNKIG-UHFFFAOYSA-N 1 2 228.259 1.047 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCCC#N ZINC000346957141 355167797 /nfs/dbraw/zinc/16/77/97/355167797.db2.gz FOMITKCUUMFUMJ-GPCCPHFNSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCCC#N ZINC000346957141 355167799 /nfs/dbraw/zinc/16/77/99/355167799.db2.gz FOMITKCUUMFUMJ-GPCCPHFNSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@@H](c1nncn1C)[NH+]1CCC(C)(C#N)CC1 ZINC000346933727 355181862 /nfs/dbraw/zinc/18/18/62/355181862.db2.gz BKMJDVMEGULMHA-JTQLQIEISA-N 1 2 233.319 1.502 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413318571 191372352 /nfs/dbraw/zinc/37/23/52/191372352.db2.gz NNJNIZBNZUJTKM-LLVKDONJSA-N 1 2 248.330 1.790 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413318571 191372355 /nfs/dbraw/zinc/37/23/55/191372355.db2.gz NNJNIZBNZUJTKM-LLVKDONJSA-N 1 2 248.330 1.790 20 30 BDEDLO C=CCOc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000639254515 355295532 /nfs/dbraw/zinc/29/55/32/355295532.db2.gz XUHLYPQWJVDXPL-UHFFFAOYSA-N 1 2 233.311 1.818 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](CC)C(=O)OCC ZINC000191098558 355306911 /nfs/dbraw/zinc/30/69/11/355306911.db2.gz WJKFSWIJMFEGFP-LLVKDONJSA-N 1 2 229.320 1.463 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](CC)C(=O)OCC ZINC000191098558 355306914 /nfs/dbraw/zinc/30/69/14/355306914.db2.gz WJKFSWIJMFEGFP-LLVKDONJSA-N 1 2 229.320 1.463 20 30 BDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(C#N)CC1 ZINC000335792482 355445348 /nfs/dbraw/zinc/44/53/48/355445348.db2.gz OFRNBYRDQBGETA-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC1(C#N)CC1 ZINC000335792482 355445351 /nfs/dbraw/zinc/44/53/51/355445351.db2.gz OFRNBYRDQBGETA-GHMZBOCLSA-N 1 2 208.305 1.789 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cncc(C#N)n1 ZINC000584348069 355736645 /nfs/dbraw/zinc/73/66/45/355736645.db2.gz WKUWPHIDFQUUEZ-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000352056489 134054161 /nfs/dbraw/zinc/05/41/61/134054161.db2.gz CTHSKZDJDMPYFX-SECBINFHSA-N 1 2 220.276 1.103 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000352056489 134054162 /nfs/dbraw/zinc/05/41/62/134054162.db2.gz CTHSKZDJDMPYFX-SECBINFHSA-N 1 2 220.276 1.103 20 30 BDEDLO COc1cc(C[NH2+]CC(C)(C)C#N)sn1 ZINC000399141521 355768606 /nfs/dbraw/zinc/76/86/06/355768606.db2.gz UNPDRPKQIDTYPC-UHFFFAOYSA-N 1 2 225.317 1.791 20 30 BDEDLO Cc1cc(N2CC[C@](C)(O)C2)c(C#N)c[nH+]1 ZINC000399202740 355848461 /nfs/dbraw/zinc/84/84/61/355848461.db2.gz UQIGSPASPQAULY-LBPRGKRZSA-N 1 2 217.272 1.223 20 30 BDEDLO C=C(C)C[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000335916955 356159707 /nfs/dbraw/zinc/15/97/07/356159707.db2.gz VJCWZZXUTHOKQB-NSHDSACASA-N 1 2 236.340 1.797 20 30 BDEDLO C=C(C)C[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000335916955 356159712 /nfs/dbraw/zinc/15/97/12/356159712.db2.gz VJCWZZXUTHOKQB-NSHDSACASA-N 1 2 236.340 1.797 20 30 BDEDLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC1=O ZINC000330086952 356169158 /nfs/dbraw/zinc/16/91/58/356169158.db2.gz MUTDWQZARNOIFN-SNVBAGLBSA-N 1 2 235.287 1.599 20 30 BDEDLO C=CCn1nnnc1SCc1cc[nH+]c(N)c1 ZINC000193086150 259461708 /nfs/dbraw/zinc/46/17/08/259461708.db2.gz ZFTCPFXMLDJUNR-UHFFFAOYSA-N 1 2 248.315 1.129 20 30 BDEDLO CC1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330198409 356181714 /nfs/dbraw/zinc/18/17/14/356181714.db2.gz UATLASXFEXWUDH-SNVBAGLBSA-N 1 2 248.330 1.502 20 30 BDEDLO CC[C@@H]1CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000330223350 356186564 /nfs/dbraw/zinc/18/65/64/356186564.db2.gz SHBQWZMMFPLAKY-NXEZZACHSA-N 1 2 248.330 1.665 20 30 BDEDLO CC[C@@H]1CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000330223350 356186567 /nfs/dbraw/zinc/18/65/67/356186567.db2.gz SHBQWZMMFPLAKY-NXEZZACHSA-N 1 2 248.330 1.665 20 30 BDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000330314226 356205058 /nfs/dbraw/zinc/20/50/58/356205058.db2.gz PBNFKYBXILHXDF-WDEREUQCSA-N 1 2 249.314 1.581 20 30 BDEDLO C=C1CC(C)(C(=O)NCCNc2cccc[nH+]2)C1 ZINC000639493125 356314795 /nfs/dbraw/zinc/31/47/95/356314795.db2.gz IVTXVEPCEMFXDS-UHFFFAOYSA-N 1 2 245.326 1.966 20 30 BDEDLO N#CCC1(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000639588385 356511682 /nfs/dbraw/zinc/51/16/82/356511682.db2.gz CCUNIYWJKFSCIL-GFCCVEGCSA-N 1 2 248.326 1.360 20 30 BDEDLO N#CCC1(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000639588385 356511686 /nfs/dbraw/zinc/51/16/86/356511686.db2.gz CCUNIYWJKFSCIL-GFCCVEGCSA-N 1 2 248.326 1.360 20 30 BDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421022480 192305499 /nfs/dbraw/zinc/30/54/99/192305499.db2.gz QGPFKSIXJUEUMV-AWEZNQCLSA-N 1 2 228.295 1.923 20 30 BDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421022480 192305502 /nfs/dbraw/zinc/30/55/02/192305502.db2.gz QGPFKSIXJUEUMV-AWEZNQCLSA-N 1 2 228.295 1.923 20 30 BDEDLO C[C@@H](CF)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352262478 134128443 /nfs/dbraw/zinc/12/84/43/134128443.db2.gz HRTVBQKYZWRJTR-KWQFWETISA-N 1 2 235.262 1.032 20 30 BDEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450330629 202130081 /nfs/dbraw/zinc/13/00/81/202130081.db2.gz UDYQOMVVVHVBOC-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450330629 202130084 /nfs/dbraw/zinc/13/00/84/202130084.db2.gz UDYQOMVVVHVBOC-GFCCVEGCSA-N 1 2 249.358 1.671 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609921293 356653638 /nfs/dbraw/zinc/65/36/38/356653638.db2.gz GTSMDAGUICTTLR-GHMZBOCLSA-N 1 2 232.287 1.206 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609921294 356654193 /nfs/dbraw/zinc/65/41/93/356654193.db2.gz GTSMDAGUICTTLR-MNOVXSKESA-N 1 2 232.287 1.206 20 30 BDEDLO COc1ccc(F)c(C[NH2+]CCC#N)c1 ZINC000353237368 134162830 /nfs/dbraw/zinc/16/28/30/134162830.db2.gz VLRBNPONFJUHDW-UHFFFAOYSA-N 1 2 208.236 1.838 20 30 BDEDLO Cc1nc(C[NH+]2CCC(CCC#N)CC2)no1 ZINC000582418217 357143004 /nfs/dbraw/zinc/14/30/04/357143004.db2.gz MBXDQGSSUXLIBU-UHFFFAOYSA-N 1 2 234.303 1.894 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626518671 357168672 /nfs/dbraw/zinc/16/86/72/357168672.db2.gz ZMQKSOHOOAHPOX-LLVKDONJSA-N 1 2 233.315 1.398 20 30 BDEDLO C[C@@H](C#N)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610129105 357206479 /nfs/dbraw/zinc/20/64/79/357206479.db2.gz CXODXFAFFMJISV-JTQLQIEISA-N 1 2 242.286 1.258 20 30 BDEDLO N#CC1(C[NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000359627717 134196475 /nfs/dbraw/zinc/19/64/75/134196475.db2.gz SYWGWLDJWLEFFE-LBPRGKRZSA-N 1 2 234.274 1.752 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nccs1 ZINC000583701238 357312153 /nfs/dbraw/zinc/31/21/53/357312153.db2.gz IENPPNNRLNVKTJ-MRVPVSSYSA-N 1 2 238.316 1.363 20 30 BDEDLO Cc1cc(C)c(CNC(=O)NC[C@H](C)C#N)c[nH+]1 ZINC000583069533 357472637 /nfs/dbraw/zinc/47/26/37/357472637.db2.gz YSKMTXNUGSZYTC-SECBINFHSA-N 1 2 246.314 1.657 20 30 BDEDLO N#Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000090906214 366384293 /nfs/dbraw/zinc/38/42/93/366384293.db2.gz QSGBRYQCNVMVJJ-BETUJISGSA-N 1 2 229.283 1.316 20 30 BDEDLO N#Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000090906214 366384297 /nfs/dbraw/zinc/38/42/97/366384297.db2.gz QSGBRYQCNVMVJJ-BETUJISGSA-N 1 2 229.283 1.316 20 30 BDEDLO C=CCC[C@@H](CCC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191965259 357807272 /nfs/dbraw/zinc/80/72/72/357807272.db2.gz MBDFTWMXDXLYFU-IJLUTSLNSA-N 1 2 243.347 1.633 20 30 BDEDLO COc1ccc(C[NH2+]CCC#N)c(OC)c1 ZINC000020199346 134223758 /nfs/dbraw/zinc/22/37/58/134223758.db2.gz DYHZGVPFNNVLIR-UHFFFAOYSA-N 1 2 220.272 1.707 20 30 BDEDLO C=C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119471338 134226906 /nfs/dbraw/zinc/22/69/06/134226906.db2.gz IUFSXZOPMXRWOS-ZJUUUORDSA-N 1 2 219.288 1.136 20 30 BDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC(C)(C)C#N ZINC000120564698 134229998 /nfs/dbraw/zinc/22/99/98/134229998.db2.gz UCRWLSNEABBSQD-JTQLQIEISA-N 1 2 246.376 1.291 20 30 BDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCC(C)(C)C#N ZINC000120564698 134229999 /nfs/dbraw/zinc/22/99/99/134229999.db2.gz UCRWLSNEABBSQD-JTQLQIEISA-N 1 2 246.376 1.291 20 30 BDEDLO COC(=O)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000120993066 134230946 /nfs/dbraw/zinc/23/09/46/134230946.db2.gz DFIZCWYYTRPBEW-NSHDSACASA-N 1 2 249.314 1.315 20 30 BDEDLO C[C@@H]1C[N@H+](CCCC#N)C[C@H](C(F)(F)F)O1 ZINC000610410064 357917607 /nfs/dbraw/zinc/91/76/07/357917607.db2.gz GCOPVBLIQFOVMP-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@@H]1C[N@@H+](CCCC#N)C[C@H](C(F)(F)F)O1 ZINC000610410064 357917611 /nfs/dbraw/zinc/91/76/11/357917611.db2.gz GCOPVBLIQFOVMP-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO CCOc1ccc(C[NH2+][C@@H](C)CC#N)nc1 ZINC000381700090 357929960 /nfs/dbraw/zinc/92/99/60/357929960.db2.gz IDSOZMMPTVMECD-JTQLQIEISA-N 1 2 219.288 1.872 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000584782837 358177245 /nfs/dbraw/zinc/17/72/45/358177245.db2.gz FALWCVNGOMNASF-LLVKDONJSA-N 1 2 246.314 1.208 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926371 358240439 /nfs/dbraw/zinc/24/04/39/358240439.db2.gz IAGPBYHRCWJLAD-VIFPVBQESA-N 1 2 219.244 1.987 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450755587 202255850 /nfs/dbraw/zinc/25/58/50/202255850.db2.gz FHUHOAKUQGXYQM-UHFFFAOYSA-N 1 2 206.293 1.306 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450755587 202255854 /nfs/dbraw/zinc/25/58/54/202255854.db2.gz FHUHOAKUQGXYQM-UHFFFAOYSA-N 1 2 206.293 1.306 20 30 BDEDLO Cc1nnc([C@@H]2C[N@H+](CCCCC#N)CCO2)[nH]1 ZINC000173666080 134276138 /nfs/dbraw/zinc/27/61/38/134276138.db2.gz XOLHHAWLAHNXEH-NSHDSACASA-N 1 2 249.318 1.180 20 30 BDEDLO Cc1nnc([C@@H]2C[N@@H+](CCCCC#N)CCO2)[nH]1 ZINC000173666080 134276139 /nfs/dbraw/zinc/27/61/39/134276139.db2.gz XOLHHAWLAHNXEH-NSHDSACASA-N 1 2 249.318 1.180 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1nncn1C ZINC000050419533 358730269 /nfs/dbraw/zinc/73/02/69/358730269.db2.gz VLYOHDMVXPHRHP-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO CC1(C#N)C[NH+](CC[C@@H]2CCCCO2)C1 ZINC000578245014 366469009 /nfs/dbraw/zinc/46/90/09/366469009.db2.gz ZWULJVSSWUPWEZ-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO CC[N@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171285 358925177 /nfs/dbraw/zinc/92/51/77/358925177.db2.gz VHNHWZBMYMTCOV-LLVKDONJSA-N 1 2 244.360 1.047 20 30 BDEDLO CC[N@@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171285 358925185 /nfs/dbraw/zinc/92/51/85/358925185.db2.gz VHNHWZBMYMTCOV-LLVKDONJSA-N 1 2 244.360 1.047 20 30 BDEDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611179033 358926823 /nfs/dbraw/zinc/92/68/23/358926823.db2.gz ZAPHUZSIALEKII-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[C@]1(C)COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000611179033 358926827 /nfs/dbraw/zinc/92/68/27/358926827.db2.gz ZAPHUZSIALEKII-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO C=C(C)[C@H](CO)Sc1nc(N)cc(C)[nH+]1 ZINC000308841772 491138790 /nfs/dbraw/zinc/13/87/90/491138790.db2.gz NQULRZAWKLOAIV-QMMMGPOBSA-N 1 2 225.317 1.396 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000611411169 359362332 /nfs/dbraw/zinc/36/23/32/359362332.db2.gz HTDGLAIGTFRNAX-JTQLQIEISA-N 1 2 220.320 1.574 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000611411169 359362337 /nfs/dbraw/zinc/36/23/37/359362337.db2.gz HTDGLAIGTFRNAX-JTQLQIEISA-N 1 2 220.320 1.574 20 30 BDEDLO CC(C)(C#N)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611462721 359373413 /nfs/dbraw/zinc/37/34/13/359373413.db2.gz AKRUGMGPGGEDRG-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO CC(C)(C#N)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000611462721 359373418 /nfs/dbraw/zinc/37/34/18/359373418.db2.gz AKRUGMGPGGEDRG-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO CC(C)(C#N)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611462721 359373421 /nfs/dbraw/zinc/37/34/21/359373421.db2.gz AKRUGMGPGGEDRG-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO CC(C)(C#N)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000611462721 359373424 /nfs/dbraw/zinc/37/34/24/359373424.db2.gz AKRUGMGPGGEDRG-UHFFFAOYSA-N 1 2 218.304 1.708 20 30 BDEDLO CC(C)(C#N)CNC(=O)CCCn1cc[nH+]c1 ZINC000611690849 359422250 /nfs/dbraw/zinc/42/22/50/359422250.db2.gz WXMPAFQZXGUUNO-UHFFFAOYSA-N 1 2 234.303 1.329 20 30 BDEDLO COCC#CC[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000611575969 359397255 /nfs/dbraw/zinc/39/72/55/359397255.db2.gz WVNZPJIDJVIVQS-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO COCC#CC[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000611575969 359397260 /nfs/dbraw/zinc/39/72/60/359397260.db2.gz WVNZPJIDJVIVQS-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO C#C[C@@H]([NH2+][C@@H](CC)C(=O)OC)C(C)(C)C ZINC000287124925 359468712 /nfs/dbraw/zinc/46/87/12/359468712.db2.gz GJNJNVGJVYEACW-VHSXEESVSA-N 1 2 211.305 1.576 20 30 BDEDLO CC#CCCn1c2ccccc2[nH+]c1NCCO ZINC000274035506 359509342 /nfs/dbraw/zinc/50/93/42/359509342.db2.gz CFOJUPKQVYISBO-UHFFFAOYSA-N 1 2 243.310 1.854 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000628490828 359638292 /nfs/dbraw/zinc/63/82/92/359638292.db2.gz HJHSKUMNVDSCKD-LLVKDONJSA-N 1 2 233.315 1.767 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000628490828 359638295 /nfs/dbraw/zinc/63/82/95/359638295.db2.gz HJHSKUMNVDSCKD-LLVKDONJSA-N 1 2 233.315 1.767 20 30 BDEDLO CC(C)NC(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161967 359712412 /nfs/dbraw/zinc/71/24/12/359712412.db2.gz HMXARDDFRMPWNS-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO CC(C)NC(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161967 359712417 /nfs/dbraw/zinc/71/24/17/359712417.db2.gz HMXARDDFRMPWNS-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165381 359719289 /nfs/dbraw/zinc/71/92/89/359719289.db2.gz MXFTZSFKCVGRDJ-WCQYABFASA-N 1 2 237.347 1.527 20 30 BDEDLO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165381 359719293 /nfs/dbraw/zinc/71/92/93/359719293.db2.gz MXFTZSFKCVGRDJ-WCQYABFASA-N 1 2 237.347 1.527 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)CC2(C#N)CCC2)C1=O ZINC000450899183 202303393 /nfs/dbraw/zinc/30/33/93/202303393.db2.gz DJERUWGKAGIQSG-LBPRGKRZSA-N 1 2 247.342 1.399 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)CC2(C#N)CCC2)C1=O ZINC000450899183 202303400 /nfs/dbraw/zinc/30/34/00/202303400.db2.gz DJERUWGKAGIQSG-LBPRGKRZSA-N 1 2 247.342 1.399 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000612406214 359833468 /nfs/dbraw/zinc/83/34/68/359833468.db2.gz JSNGMPBLULAUCB-NSHDSACASA-N 1 2 204.277 1.535 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000612406214 359833473 /nfs/dbraw/zinc/83/34/73/359833473.db2.gz JSNGMPBLULAUCB-NSHDSACASA-N 1 2 204.277 1.535 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000612585046 359898641 /nfs/dbraw/zinc/89/86/41/359898641.db2.gz MAFTVLZDLSYWOO-MRVPVSSYSA-N 1 2 237.234 1.983 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1CC ZINC000578843404 366657386 /nfs/dbraw/zinc/65/73/86/366657386.db2.gz CKMZGWAKQZJCSC-YPMHNXCESA-N 1 2 246.310 1.596 20 30 BDEDLO N#CC1CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000171054744 361289910 /nfs/dbraw/zinc/28/99/10/361289910.db2.gz TUNFDPBXEYSAIX-UHFFFAOYSA-N 1 2 244.298 1.256 20 30 BDEDLO C=CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000579216232 366735353 /nfs/dbraw/zinc/73/53/53/366735353.db2.gz XCLXRYYKGMVRNQ-LLVKDONJSA-N 1 2 235.331 1.824 20 30 BDEDLO CCC[N@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000429133604 201069784 /nfs/dbraw/zinc/06/97/84/201069784.db2.gz IMGCZDRVQUBLFY-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO CCC[N@@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000429133604 201069788 /nfs/dbraw/zinc/06/97/88/201069788.db2.gz IMGCZDRVQUBLFY-UHFFFAOYSA-N 1 2 249.289 1.395 20 30 BDEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)CCCC#N ZINC000429140022 201074659 /nfs/dbraw/zinc/07/46/59/201074659.db2.gz XJSJDQCEVXDDSS-NSHDSACASA-N 1 2 226.320 1.810 20 30 BDEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCCC#N ZINC000429140022 201074661 /nfs/dbraw/zinc/07/46/61/201074661.db2.gz XJSJDQCEVXDDSS-NSHDSACASA-N 1 2 226.320 1.810 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000429526476 201110991 /nfs/dbraw/zinc/11/09/91/201110991.db2.gz JHPMVRFZNDWAAR-NSHDSACASA-N 1 2 209.289 1.242 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000429526476 201110994 /nfs/dbraw/zinc/11/09/94/201110994.db2.gz JHPMVRFZNDWAAR-NSHDSACASA-N 1 2 209.289 1.242 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000614364188 363793671 /nfs/dbraw/zinc/79/36/71/363793671.db2.gz SDCVXJTXBWFBKU-NSHDSACASA-N 1 2 246.314 1.208 20 30 BDEDLO CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1CC1 ZINC000433307476 201178254 /nfs/dbraw/zinc/17/82/54/201178254.db2.gz UYNVKKYOYGRSMS-UHFFFAOYSA-N 1 2 223.320 1.089 20 30 BDEDLO CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1CC1 ZINC000433307476 201178257 /nfs/dbraw/zinc/17/82/57/201178257.db2.gz UYNVKKYOYGRSMS-UHFFFAOYSA-N 1 2 223.320 1.089 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433317292 201178433 /nfs/dbraw/zinc/17/84/33/201178433.db2.gz CWSWMHNELMFSEW-LLVKDONJSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433317292 201178436 /nfs/dbraw/zinc/17/84/36/201178436.db2.gz CWSWMHNELMFSEW-LLVKDONJSA-N 1 2 239.363 1.773 20 30 BDEDLO C=C(C)c1ccc(NCCCCO)[nH+]c1 ZINC000629730490 361669942 /nfs/dbraw/zinc/66/99/42/361669942.db2.gz ZDNVNDBGHHFUEX-UHFFFAOYSA-N 1 2 206.289 1.721 20 30 BDEDLO C=C(C)CN(C)C(=O)NCc1c[nH+]ccc1OC ZINC000432119154 192933768 /nfs/dbraw/zinc/93/37/68/192933768.db2.gz BNIIYCDSFHVDTO-UHFFFAOYSA-N 1 2 249.314 1.808 20 30 BDEDLO C=C(C)C[N@@H+](CCOC)CC(=O)OCC ZINC000064508899 363918657 /nfs/dbraw/zinc/91/86/57/363918657.db2.gz YLDAJYQQGLBMAG-UHFFFAOYSA-N 1 2 215.293 1.074 20 30 BDEDLO C=C(C)C[N@H+](CCOC)CC(=O)OCC ZINC000064508899 363918660 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C[C@H](CC#N)[NH2+]CC(=O)N1CCc2ccccc21 ZINC000068616747 370821778 /nfs/dbraw/zinc/82/17/78/370821778.db2.gz VXOSAWDZTGXNSS-LLVKDONJSA-N 1 2 243.310 1.467 20 30 BDEDLO CC[C@H](C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000581014777 367237415 /nfs/dbraw/zinc/23/74/15/367237415.db2.gz QBVZUDWCGOTQRV-NXEZZACHSA-N 1 2 220.276 1.253 20 30 BDEDLO N#C[C@H]1CC[C@@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000381271208 367373579 /nfs/dbraw/zinc/37/35/79/367373579.db2.gz VPWZCDCNGCZWLN-NKWVEPMBSA-N 1 2 237.694 1.816 20 30 BDEDLO N#C[C@H]1CC[C@@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000381271208 367373583 /nfs/dbraw/zinc/37/35/83/367373583.db2.gz VPWZCDCNGCZWLN-NKWVEPMBSA-N 1 2 237.694 1.816 20 30 BDEDLO CCCc1nc(C)c(C[NH2+]CCC#N)o1 ZINC000581484263 367515090 /nfs/dbraw/zinc/51/50/90/367515090.db2.gz ZYMZLIOTJLHUET-UHFFFAOYSA-N 1 2 207.277 1.939 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)C1(C#N)CC(C)C1 ZINC000385257012 367813541 /nfs/dbraw/zinc/81/35/41/367813541.db2.gz UJCQOROARVNWQO-UHFFFAOYSA-N 1 2 246.314 1.459 20 30 BDEDLO 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247.342 1.399 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616116771 368961159 /nfs/dbraw/zinc/96/11/59/368961159.db2.gz VAUAPOLJHWLQQE-GHMZBOCLSA-N 1 2 233.315 1.606 20 30 BDEDLO C#CC[N@@H+](Cc1nc(C)no1)C1CCCC1 ZINC000155768735 326211482 /nfs/dbraw/zinc/21/14/82/326211482.db2.gz HKLIRJCXMXTQMU-UHFFFAOYSA-N 1 2 219.288 1.756 20 30 BDEDLO C#CC[N@H+](Cc1nc(C)no1)C1CCCC1 ZINC000155768735 326211483 /nfs/dbraw/zinc/21/14/83/326211483.db2.gz HKLIRJCXMXTQMU-UHFFFAOYSA-N 1 2 219.288 1.756 20 30 BDEDLO CC#CCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000458654494 203184859 /nfs/dbraw/zinc/18/48/59/203184859.db2.gz LBZIOQUWHXDJGY-QWRGUYRKSA-N 1 2 246.314 1.602 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459349629 203263726 /nfs/dbraw/zinc/26/37/26/203263726.db2.gz FJAHGKVORKLELN-UHFFFAOYSA-N 1 2 246.314 1.795 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459349629 203263728 /nfs/dbraw/zinc/26/37/28/203263728.db2.gz FJAHGKVORKLELN-UHFFFAOYSA-N 1 2 246.314 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240.303 1.790 20 30 BDEDLO CCCC(=O)N1CCC[N@H+](CCC#N)CC1 ZINC000363431914 384020789 /nfs/dbraw/zinc/02/07/89/384020789.db2.gz ATRJLIZNPWQCPW-UHFFFAOYSA-N 1 2 223.320 1.234 20 30 BDEDLO CCCC(=O)N1CCC[N@@H+](CCC#N)CC1 ZINC000363431914 384020792 /nfs/dbraw/zinc/02/07/92/384020792.db2.gz ATRJLIZNPWQCPW-UHFFFAOYSA-N 1 2 223.320 1.234 20 30 BDEDLO C#CCCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000119503139 533028844 /nfs/dbraw/zinc/02/88/44/533028844.db2.gz VVHXERLIIFZJBI-UHFFFAOYSA-N 1 2 233.315 1.572 20 30 BDEDLO C=CCN1CC[NH+](Cc2cccnc2)CC1 ZINC000091076704 384099314 /nfs/dbraw/zinc/09/93/14/384099314.db2.gz BWTFGRQADJXIKV-UHFFFAOYSA-N 1 2 217.316 1.385 20 30 BDEDLO C[C@H](CC(=O)N[C@H](C#N)C1CC1)n1cc[nH+]c1 ZINC000569488993 384109587 /nfs/dbraw/zinc/10/95/87/384109587.db2.gz DZHNXDYNBKMWCV-MWLCHTKSSA-N 1 2 232.287 1.253 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(CO)o1 ZINC000081556154 384185321 /nfs/dbraw/zinc/18/53/21/384185321.db2.gz OSVOZXQKWKDPSZ-VIFPVBQESA-N 1 2 208.261 1.554 20 30 BDEDLO C#C[C@@H]([NH2+][C@H](C(=O)OC)C1CC1)C(C)(C)C ZINC000309622293 384183616 /nfs/dbraw/zinc/18/36/16/384183616.db2.gz FPOAWKWOKZXIOX-MNOVXSKESA-N 1 2 223.316 1.576 20 30 BDEDLO C=CC[NH2+][C@@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000082581667 384242808 /nfs/dbraw/zinc/24/28/08/384242808.db2.gz IHSUNQWTSUIPCG-GHMZBOCLSA-N 1 2 227.304 1.120 20 30 BDEDLO C=CCSCCNC(=O)CCn1cc[nH+]c1 ZINC000299635675 384304385 /nfs/dbraw/zinc/30/43/85/384304385.db2.gz HMIWKVNSZKKAEO-UHFFFAOYSA-N 1 2 239.344 1.309 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCOCC1 ZINC000229958397 384341322 /nfs/dbraw/zinc/34/13/22/384341322.db2.gz YLQCFLBXXCQOBO-UHFFFAOYSA-N 1 2 234.274 1.920 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCOCC1 ZINC000229958397 384341327 /nfs/dbraw/zinc/34/13/27/384341327.db2.gz YLQCFLBXXCQOBO-UHFFFAOYSA-N 1 2 234.274 1.920 20 30 BDEDLO N#CC1(C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000044300199 384325313 /nfs/dbraw/zinc/32/53/13/384325313.db2.gz YLVBNPWQWNLDBJ-UHFFFAOYSA-N 1 2 232.287 1.083 20 30 BDEDLO Cn1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000289693169 384483769 /nfs/dbraw/zinc/48/37/69/384483769.db2.gz FABURSYHDPAAQH-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000289693169 384483777 /nfs/dbraw/zinc/48/37/77/384483777.db2.gz FABURSYHDPAAQH-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO C=CCOC[C@H]([NH2+]C1CCCC1)C(=O)OC ZINC000309431578 384536245 /nfs/dbraw/zinc/53/62/45/384536245.db2.gz GHLUDZXFNFNXDU-NSHDSACASA-N 1 2 227.304 1.263 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000491758850 384573059 /nfs/dbraw/zinc/57/30/59/384573059.db2.gz KECPDRAIUBDPAC-CYBMUJFWSA-N 1 2 241.294 1.397 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000491758850 384573066 /nfs/dbraw/zinc/57/30/66/384573066.db2.gz KECPDRAIUBDPAC-CYBMUJFWSA-N 1 2 241.294 1.397 20 30 BDEDLO CCOC(=O)C[N@H+](CCCC#N)C(C)C ZINC000048568086 384676243 /nfs/dbraw/zinc/67/62/43/384676243.db2.gz NEOBSTNRJGQDOT-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO CCOC(=O)C[N@@H+](CCCC#N)C(C)C ZINC000048568086 384676249 /nfs/dbraw/zinc/67/62/49/384676249.db2.gz NEOBSTNRJGQDOT-UHFFFAOYSA-N 1 2 212.293 1.564 20 30 BDEDLO N#Cc1cnc(NCCCn2cc[nH+]c2)cn1 ZINC000071177769 384666244 /nfs/dbraw/zinc/66/62/44/384666244.db2.gz KLLMKEJBKCRSIE-UHFFFAOYSA-N 1 2 228.259 1.047 20 30 BDEDLO N#CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000103882370 384652473 /nfs/dbraw/zinc/65/24/73/384652473.db2.gz UQTCOEZMLCOTBB-UHFFFAOYSA-N 1 2 233.290 1.467 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@H+](C)CCC#N)C1=O ZINC000083217863 384752588 /nfs/dbraw/zinc/75/25/88/384752588.db2.gz QBKLVXJTHLAFKA-LLVKDONJSA-N 1 2 223.320 1.231 20 30 BDEDLO CC(C)N1CCC[C@@H]([N@@H+](C)CCC#N)C1=O ZINC000083217863 384752591 /nfs/dbraw/zinc/75/25/91/384752591.db2.gz QBKLVXJTHLAFKA-LLVKDONJSA-N 1 2 223.320 1.231 20 30 BDEDLO Cc1ccnc(NCCCn2cc[nH+]c2)c1C#N ZINC000135061557 384826961 /nfs/dbraw/zinc/82/69/61/384826961.db2.gz XAPHBSLABJSUQT-UHFFFAOYSA-N 1 2 241.298 1.960 20 30 BDEDLO C=CCN(C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000292387617 384783303 /nfs/dbraw/zinc/78/33/03/384783303.db2.gz QPBQOZAPUVSGJY-UHFFFAOYSA-N 1 2 234.303 1.280 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCn1cc(Cl)cn1 ZINC000312901269 384876917 /nfs/dbraw/zinc/87/69/17/384876917.db2.gz UDSHSIDGGNOERF-VIFPVBQESA-N 1 2 226.711 1.770 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000312901269 384876922 /nfs/dbraw/zinc/87/69/22/384876922.db2.gz UDSHSIDGGNOERF-VIFPVBQESA-N 1 2 226.711 1.770 20 30 BDEDLO Cc1nsc(NCc2[nH+]ccn2C)c1C#N ZINC000086254746 385002227 /nfs/dbraw/zinc/00/22/27/385002227.db2.gz FFGCLZPJCYBARB-UHFFFAOYSA-N 1 2 233.300 1.669 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000085148844 385039146 /nfs/dbraw/zinc/03/91/46/385039146.db2.gz KLNLMGBWOHBTQG-ZDUSSCGKSA-N 1 2 234.274 1.654 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000085148844 385039153 /nfs/dbraw/zinc/03/91/53/385039153.db2.gz KLNLMGBWOHBTQG-ZDUSSCGKSA-N 1 2 234.274 1.654 20 30 BDEDLO Cc1c(C[N@@H+](C)[C@H](C)CC#N)cnn1C ZINC000151852686 385136080 /nfs/dbraw/zinc/13/60/80/385136080.db2.gz AHWMZOBPFYRBHJ-SECBINFHSA-N 1 2 206.293 1.463 20 30 BDEDLO Cc1c(C[N@H+](C)[C@H](C)CC#N)cnn1C ZINC000151852686 385136081 /nfs/dbraw/zinc/13/60/81/385136081.db2.gz AHWMZOBPFYRBHJ-SECBINFHSA-N 1 2 206.293 1.463 20 30 BDEDLO Cc1nsc(NCc2ccc(N)[nH+]c2)c1C#N ZINC000340883967 385189085 /nfs/dbraw/zinc/18/90/85/385189085.db2.gz WFDKAMAXJLIWOH-UHFFFAOYSA-N 1 2 245.311 1.743 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccccc1 ZINC000063087629 385208745 /nfs/dbraw/zinc/20/87/45/385208745.db2.gz JTFUQVVDHRDHCE-AAEUAGOBSA-N 1 2 218.300 1.954 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000063087629 385208748 /nfs/dbraw/zinc/20/87/48/385208748.db2.gz JTFUQVVDHRDHCE-AAEUAGOBSA-N 1 2 218.300 1.954 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000020466659 385215580 /nfs/dbraw/zinc/21/55/80/385215580.db2.gz CXBHGCINICOYQF-UHFFFAOYSA-N 1 2 224.348 1.753 20 30 BDEDLO Cc1noc(C)c1CC[N@H+](C)CCC#N ZINC000166312993 385236270 /nfs/dbraw/zinc/23/62/70/385236270.db2.gz VZNXLABFGBDXQV-UHFFFAOYSA-N 1 2 207.277 1.679 20 30 BDEDLO Cc1noc(C)c1CC[N@@H+](C)CCC#N ZINC000166312993 385236277 /nfs/dbraw/zinc/23/62/77/385236277.db2.gz VZNXLABFGBDXQV-UHFFFAOYSA-N 1 2 207.277 1.679 20 30 BDEDLO N#CCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000308903880 385277265 /nfs/dbraw/zinc/27/72/65/385277265.db2.gz CUAAKCBMWDCGLQ-SNVBAGLBSA-N 1 2 204.277 1.680 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000491340313 385368989 /nfs/dbraw/zinc/36/89/89/385368989.db2.gz WZEPTNSPOOCETE-OUAUKWLOSA-N 1 2 208.305 1.012 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000491340313 385368994 /nfs/dbraw/zinc/36/89/94/385368994.db2.gz WZEPTNSPOOCETE-OUAUKWLOSA-N 1 2 208.305 1.012 20 30 BDEDLO CC[C@@H](C#N)Sc1nc(N)cc(C)[nH+]1 ZINC000148612005 385419695 /nfs/dbraw/zinc/41/96/95/385419695.db2.gz KBZZYKZJORILFR-ZETCQYMHSA-N 1 2 208.290 1.762 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000491673735 385440768 /nfs/dbraw/zinc/44/07/68/385440768.db2.gz JBKXLAQGTZGJSB-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000491673735 385440770 /nfs/dbraw/zinc/44/07/70/385440770.db2.gz JBKXLAQGTZGJSB-LBPRGKRZSA-N 1 2 230.311 1.887 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccnc(N)c1 ZINC000052725122 385450779 /nfs/dbraw/zinc/45/07/79/385450779.db2.gz GKFZBJURYNKRML-VIFPVBQESA-N 1 2 204.277 1.255 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccnc(N)c1 ZINC000052725122 385450783 /nfs/dbraw/zinc/45/07/83/385450783.db2.gz GKFZBJURYNKRML-VIFPVBQESA-N 1 2 204.277 1.255 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000408027970 385432208 /nfs/dbraw/zinc/43/22/08/385432208.db2.gz NCRQLMVXYPJPQW-MNOVXSKESA-N 1 2 246.314 1.064 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)[C@H](C)[C@@H](C)O1 ZINC000446071251 385628883 /nfs/dbraw/zinc/62/88/83/385628883.db2.gz IYNKJQJHPCMNNW-GMTAPVOTSA-N 1 2 208.305 1.788 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@H](C)[C@@H](C)O1 ZINC000446071251 385628888 /nfs/dbraw/zinc/62/88/88/385628888.db2.gz IYNKJQJHPCMNNW-GMTAPVOTSA-N 1 2 208.305 1.788 20 30 BDEDLO CCN(CCC[N@H+](CC)[C@H](C)C#N)[C@H](C)C#N ZINC000595821670 385639328 /nfs/dbraw/zinc/63/93/28/385639328.db2.gz YVONOAQXVGGIPK-CHWSQXEVSA-N 1 2 236.363 1.844 20 30 BDEDLO CCN(CCC[N@@H+](CC)[C@H](C)C#N)[C@H](C)C#N ZINC000595821670 385639332 /nfs/dbraw/zinc/63/93/32/385639332.db2.gz YVONOAQXVGGIPK-CHWSQXEVSA-N 1 2 236.363 1.844 20 30 BDEDLO CC(C)[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000283655038 385827572 /nfs/dbraw/zinc/82/75/72/385827572.db2.gz CUQISDAZNDKZFO-CQSZACIVSA-N 1 2 247.342 1.814 20 30 BDEDLO CC(C)[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000283655038 385827575 /nfs/dbraw/zinc/82/75/75/385827575.db2.gz CUQISDAZNDKZFO-CQSZACIVSA-N 1 2 247.342 1.814 20 30 BDEDLO CCN(CCC#N)Cc1[nH+]ccc(OC)c1OC ZINC000232195739 385847066 /nfs/dbraw/zinc/84/70/66/385847066.db2.gz ILBILNFLMRWDFJ-UHFFFAOYSA-N 1 2 249.314 1.834 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCc1c[nH+]ccc1OC ZINC000294651145 385878441 /nfs/dbraw/zinc/87/84/41/385878441.db2.gz QVHFEHHYQNDGNW-CYBMUJFWSA-N 1 2 247.298 1.646 20 30 BDEDLO C#CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000041634906 533156619 /nfs/dbraw/zinc/15/66/19/533156619.db2.gz XPTCTOHPYWEYPN-UHFFFAOYSA-N 1 2 218.275 1.581 20 30 BDEDLO C#CCN1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000302048909 533156711 /nfs/dbraw/zinc/15/67/11/533156711.db2.gz MNDRATHHGOPZHT-UHFFFAOYSA-N 1 2 244.342 1.103 20 30 BDEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ncnn1C ZINC000353178436 386052715 /nfs/dbraw/zinc/05/27/15/386052715.db2.gz AXVOHFAZBAWBHY-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC3(CCCC3)C2)CC1 ZINC000334455321 386105631 /nfs/dbraw/zinc/10/56/31/386105631.db2.gz OBTCXASKWNFHRU-UHFFFAOYSA-N 1 2 220.316 1.935 20 30 BDEDLO N#CC1(C[N@H+]2CCOC3(CCCC3)C2)CC1 ZINC000334455321 386105632 /nfs/dbraw/zinc/10/56/32/386105632.db2.gz OBTCXASKWNFHRU-UHFFFAOYSA-N 1 2 220.316 1.935 20 30 BDEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091898632 386311670 /nfs/dbraw/zinc/31/16/70/386311670.db2.gz QTQITHOKCNACLN-UHFFFAOYSA-N 1 2 248.301 1.486 20 30 BDEDLO C=CCNC(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091898632 386311675 /nfs/dbraw/zinc/31/16/75/386311675.db2.gz QTQITHOKCNACLN-UHFFFAOYSA-N 1 2 248.301 1.486 20 30 BDEDLO Cc1cc(NCC(C)(C)CCO)c(C#N)c[nH+]1 ZINC000398995560 386410807 /nfs/dbraw/zinc/41/08/07/386410807.db2.gz OQJQCPLXKACLSB-UHFFFAOYSA-N 1 2 233.315 1.504 20 30 BDEDLO Cc1cc(NCCC(C)(C)CO)c(C#N)c[nH+]1 ZINC000399007686 386505132 /nfs/dbraw/zinc/50/51/32/386505132.db2.gz VGFMAWWFPVNRHB-UHFFFAOYSA-N 1 2 233.315 1.504 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000335446765 386511669 /nfs/dbraw/zinc/51/16/69/386511669.db2.gz KVGATDLTMFZZHD-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000335446765 386511676 /nfs/dbraw/zinc/51/16/76/386511676.db2.gz KVGATDLTMFZZHD-GFCCVEGCSA-N 1 2 220.316 1.791 20 30 BDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000644938018 386626906 /nfs/dbraw/zinc/62/69/06/386626906.db2.gz SCMLBJWOSSRVLN-WDEREUQCSA-N 1 2 248.330 1.424 20 30 BDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000644938018 386626910 /nfs/dbraw/zinc/62/69/10/386626910.db2.gz SCMLBJWOSSRVLN-WDEREUQCSA-N 1 2 248.330 1.424 20 30 BDEDLO C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000328881978 386642215 /nfs/dbraw/zinc/64/22/15/386642215.db2.gz WTXANKAHVNSBLP-GWCFXTLKSA-N 1 2 249.314 1.581 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290978771 386609760 /nfs/dbraw/zinc/60/97/60/386609760.db2.gz VEXJONRIDRMABZ-NSHDSACASA-N 1 2 249.314 1.207 20 30 BDEDLO Cc1cc(NC[C@@H](C)CCCO)c(C#N)c[nH+]1 ZINC000399064778 386670993 /nfs/dbraw/zinc/67/09/93/386670993.db2.gz MDKHILHKSJFMEF-JTQLQIEISA-N 1 2 233.315 1.504 20 30 BDEDLO CC[N@@H+](Cc1cnc(C)cn1)C[C@@H](C)C#N ZINC000330363939 386673267 /nfs/dbraw/zinc/67/32/67/386673267.db2.gz ZUJKCIWWVQUWPK-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1cnc(C)cn1)C[C@@H](C)C#N ZINC000330363939 386673271 /nfs/dbraw/zinc/67/32/71/386673271.db2.gz ZUJKCIWWVQUWPK-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO CC#CC[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000330566517 386791145 /nfs/dbraw/zinc/79/11/45/386791145.db2.gz LCCATNDRJRXHCK-LBPRGKRZSA-N 1 2 249.314 1.459 20 30 BDEDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(C#N)cc1 ZINC000134197923 386812995 /nfs/dbraw/zinc/81/29/95/386812995.db2.gz XMIMBWQAYMWTBR-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000647939268 386829150 /nfs/dbraw/zinc/82/91/50/386829150.db2.gz ICMUPXAIAVIEBE-GFCCVEGCSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC000647939268 386829154 /nfs/dbraw/zinc/82/91/54/386829154.db2.gz ICMUPXAIAVIEBE-GFCCVEGCSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000647939268 386829160 /nfs/dbraw/zinc/82/91/60/386829160.db2.gz ICMUPXAIAVIEBE-GFCCVEGCSA-N 1 2 221.304 1.026 20 30 BDEDLO COC(=O)C(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000399507942 386911103 /nfs/dbraw/zinc/91/11/03/386911103.db2.gz LXWODAPSXNGZDK-UHFFFAOYSA-N 1 2 247.298 1.295 20 30 BDEDLO Cc1ccc(Cn2cnc(C#N)n2)c(C)[nH+]1 ZINC000186495780 386957468 /nfs/dbraw/zinc/95/74/68/386957468.db2.gz QLUDCPFXYDRWNP-UHFFFAOYSA-N 1 2 213.244 1.210 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000518998399 386982515 /nfs/dbraw/zinc/98/25/15/386982515.db2.gz JCWRRDHLUDRQGW-WCQGTBRESA-N 1 2 249.314 1.048 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000518998399 386982517 /nfs/dbraw/zinc/98/25/17/386982517.db2.gz JCWRRDHLUDRQGW-WCQGTBRESA-N 1 2 249.314 1.048 20 30 BDEDLO CSC1(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000399624169 387051925 /nfs/dbraw/zinc/05/19/25/387051925.db2.gz ZYXKJROEOSIKKV-UHFFFAOYSA-N 1 2 233.340 1.991 20 30 BDEDLO CO[C@@H](C)CCNc1cc(C)[nH+]cc1C#N ZINC000399578276 387019825 /nfs/dbraw/zinc/01/98/25/387019825.db2.gz KWOFXVLITAEFPR-JTQLQIEISA-N 1 2 219.288 1.521 20 30 BDEDLO C=CCSc1[nH+]cnc2c1cnn2C ZINC000071822386 387123819 /nfs/dbraw/zinc/12/38/19/387123819.db2.gz QTSFNJGLVKAQRD-UHFFFAOYSA-N 1 2 206.274 1.641 20 30 BDEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514717359 387276861 /nfs/dbraw/zinc/27/68/61/387276861.db2.gz MEZKHBSPYXIEKN-ZANVPECISA-N 1 2 240.266 1.823 20 30 BDEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1C#N ZINC000191399256 387388841 /nfs/dbraw/zinc/38/88/41/387388841.db2.gz FAEJUNLRIRFHAM-AWEZNQCLSA-N 1 2 245.326 1.508 20 30 BDEDLO Cn1cc(C[N@H+]2CCOC[C@H]2C2CC2)cc1C#N ZINC000191399256 387388847 /nfs/dbraw/zinc/38/88/47/387388847.db2.gz FAEJUNLRIRFHAM-AWEZNQCLSA-N 1 2 245.326 1.508 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)CCc1c[nH+]cn1C ZINC000527240053 387548765 /nfs/dbraw/zinc/54/87/65/387548765.db2.gz ZJJZLWRQOUIELL-GFCCVEGCSA-N 1 2 234.303 1.161 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000279182950 387561539 /nfs/dbraw/zinc/56/15/39/387561539.db2.gz MDDABZDMJKFVHZ-ZYHUDNBSSA-N 1 2 249.314 1.316 20 30 BDEDLO C=C(C)CNC(=O)NCc1c[nH+]ccc1OC ZINC000431922243 387741707 /nfs/dbraw/zinc/74/17/07/387741707.db2.gz KDKPGADFJMZURL-UHFFFAOYSA-N 1 2 235.287 1.466 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)c1cc(C#N)ccn1 ZINC000353433158 387793192 /nfs/dbraw/zinc/79/31/92/387793192.db2.gz OSNISQQUIIVWOO-UHFFFAOYSA-N 1 2 238.250 1.331 20 30 BDEDLO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442843119 387849515 /nfs/dbraw/zinc/84/95/15/387849515.db2.gz JFUVPRKVCXJEFC-VWYCJHECSA-N 1 2 238.331 1.998 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cncc(F)c2)nn1 ZINC000424170709 387861027 /nfs/dbraw/zinc/86/10/27/387861027.db2.gz KDCNZVXKGULCQI-UHFFFAOYSA-N 1 2 247.277 1.288 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C)o2)nn1 ZINC000424175553 387884747 /nfs/dbraw/zinc/88/47/47/387884747.db2.gz VDXLJZZPGZDRCD-UHFFFAOYSA-N 1 2 232.287 1.655 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1ncnn1CCF ZINC000440520442 388051312 /nfs/dbraw/zinc/05/13/12/388051312.db2.gz PSEDILKPWXMGRP-UHFFFAOYSA-N 1 2 212.272 1.256 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1ncnn1CCF ZINC000440520442 388051314 /nfs/dbraw/zinc/05/13/14/388051314.db2.gz PSEDILKPWXMGRP-UHFFFAOYSA-N 1 2 212.272 1.256 20 30 BDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nncn1C ZINC000037016859 388085099 /nfs/dbraw/zinc/08/50/99/388085099.db2.gz ZDTYXSZOJQEWFJ-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO COc1nccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000449341449 388176773 /nfs/dbraw/zinc/17/67/73/388176773.db2.gz UADWIQVTHGTDAX-UHFFFAOYSA-N 1 2 234.303 1.467 20 30 BDEDLO COc1nccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000449341449 388176774 /nfs/dbraw/zinc/17/67/74/388176774.db2.gz UADWIQVTHGTDAX-UHFFFAOYSA-N 1 2 234.303 1.467 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnoc1C ZINC000490739487 388250975 /nfs/dbraw/zinc/25/09/75/388250975.db2.gz IRIDVSWDMGPWRK-UHFFFAOYSA-N 1 2 202.257 1.442 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnoc1C ZINC000490739487 388250977 /nfs/dbraw/zinc/25/09/77/388250977.db2.gz IRIDVSWDMGPWRK-UHFFFAOYSA-N 1 2 202.257 1.442 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnn(CC)c1 ZINC000490898628 388258659 /nfs/dbraw/zinc/25/86/59/388258659.db2.gz LHMBYPFAALBTPO-UHFFFAOYSA-N 1 2 215.300 1.362 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(CC)c1 ZINC000490898628 388258660 /nfs/dbraw/zinc/25/86/60/388258660.db2.gz LHMBYPFAALBTPO-UHFFFAOYSA-N 1 2 215.300 1.362 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)CCC#N ZINC000489884987 388226740 /nfs/dbraw/zinc/22/67/40/388226740.db2.gz KPFXRWUNRZFTAC-UHFFFAOYSA-N 1 2 248.330 1.707 20 30 BDEDLO Cc1[nH]c[nH+]c1CC(=O)NCC(C)(C)CCC#N ZINC000489884987 388226741 /nfs/dbraw/zinc/22/67/41/388226741.db2.gz KPFXRWUNRZFTAC-UHFFFAOYSA-N 1 2 248.330 1.707 20 30 BDEDLO C=C(CC)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000490205901 388235892 /nfs/dbraw/zinc/23/58/92/388235892.db2.gz ZAQSUSYKVIXUPP-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C=C(CC)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000490205901 388235895 /nfs/dbraw/zinc/23/58/95/388235895.db2.gz ZAQSUSYKVIXUPP-UHFFFAOYSA-N 1 2 244.289 1.941 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ncccc1O ZINC000491263971 388281055 /nfs/dbraw/zinc/28/10/55/388281055.db2.gz CVCTWLUNPNIQGZ-UHFFFAOYSA-N 1 2 214.268 1.246 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ncccc1O ZINC000491263971 388281056 /nfs/dbraw/zinc/28/10/56/388281056.db2.gz CVCTWLUNPNIQGZ-UHFFFAOYSA-N 1 2 214.268 1.246 20 30 BDEDLO C#CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000491286711 388282667 /nfs/dbraw/zinc/28/26/67/388282667.db2.gz JFFRYHHKXLUJRA-TXEJJXNPSA-N 1 2 236.359 1.587 20 30 BDEDLO C#CC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000491286711 388282669 /nfs/dbraw/zinc/28/26/69/388282669.db2.gz JFFRYHHKXLUJRA-TXEJJXNPSA-N 1 2 236.359 1.587 20 30 BDEDLO C#C[C@@H](CC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000491315921 388284791 /nfs/dbraw/zinc/28/47/91/388284791.db2.gz QRNZVBKLXMJVJI-TVRMLOFPSA-N 1 2 231.299 1.444 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cc(-c2ccncn2)cn1 ZINC000491382443 388290512 /nfs/dbraw/zinc/29/05/12/388290512.db2.gz IQBDBIYRANPMEK-NSHDSACASA-N 1 2 241.298 1.251 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(-c2ccncn2)cn1 ZINC000491382443 388290514 /nfs/dbraw/zinc/29/05/14/388290514.db2.gz IQBDBIYRANPMEK-NSHDSACASA-N 1 2 241.298 1.251 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOc1ccccc1 ZINC000491438332 388294432 /nfs/dbraw/zinc/29/44/32/388294432.db2.gz BRAFFHLQIRBHKB-CYBMUJFWSA-N 1 2 231.295 1.399 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOc1ccccc1 ZINC000491438332 388294433 /nfs/dbraw/zinc/29/44/33/388294433.db2.gz BRAFFHLQIRBHKB-CYBMUJFWSA-N 1 2 231.295 1.399 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)OCCCC ZINC000491440889 388294562 /nfs/dbraw/zinc/29/45/62/388294562.db2.gz RPOBBDGQQNFKHE-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)OCCCC ZINC000491440889 388294564 /nfs/dbraw/zinc/29/45/64/388294564.db2.gz RPOBBDGQQNFKHE-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCC1 ZINC000491440945 388294991 /nfs/dbraw/zinc/29/49/91/388294991.db2.gz SCGVGROTTUIKOE-BQYQJAHWSA-N 1 2 243.310 1.827 20 30 BDEDLO C#CC[N@@H+](CCOC)Cc1scnc1C ZINC000491483809 388297507 /nfs/dbraw/zinc/29/75/07/388297507.db2.gz FKEIMTMXRKFETD-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO C#CC[N@H+](CCOC)Cc1scnc1C ZINC000491483809 388297508 /nfs/dbraw/zinc/29/75/08/388297508.db2.gz FKEIMTMXRKFETD-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO C=CCOCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451846367 388300567 /nfs/dbraw/zinc/30/05/67/388300567.db2.gz YJMFFMUWNZNQHU-JTQLQIEISA-N 1 2 237.290 1.527 20 30 BDEDLO C=CCOCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451846367 388300568 /nfs/dbraw/zinc/30/05/68/388300568.db2.gz YJMFFMUWNZNQHU-JTQLQIEISA-N 1 2 237.290 1.527 20 30 BDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCC#N)C1 ZINC000451877060 388303037 /nfs/dbraw/zinc/30/30/37/388303037.db2.gz ZPBADIDZJQBABT-JTQLQIEISA-N 1 2 249.280 1.716 20 30 BDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CCC#N)C1 ZINC000451877060 388303039 /nfs/dbraw/zinc/30/30/39/388303039.db2.gz ZPBADIDZJQBABT-JTQLQIEISA-N 1 2 249.280 1.716 20 30 BDEDLO C#CC[N@@H+](CC[S@](=O)c1ccccc1)C1CC1 ZINC000491554732 388303520 /nfs/dbraw/zinc/30/35/20/388303520.db2.gz LRLZKMOIVGHWFN-KRWDZBQOSA-N 1 2 247.363 1.892 20 30 BDEDLO C#CC[N@H+](CC[S@](=O)c1ccccc1)C1CC1 ZINC000491554732 388303521 /nfs/dbraw/zinc/30/35/21/388303521.db2.gz LRLZKMOIVGHWFN-KRWDZBQOSA-N 1 2 247.363 1.892 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000491644063 388307673 /nfs/dbraw/zinc/30/76/73/388307673.db2.gz INCRDHGHDCDEAF-KBPBESRZSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000491644063 388307674 /nfs/dbraw/zinc/30/76/74/388307674.db2.gz INCRDHGHDCDEAF-KBPBESRZSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000491644066 388307731 /nfs/dbraw/zinc/30/77/31/388307731.db2.gz INCRDHGHDCDEAF-UONOGXRCSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000491644066 388307732 /nfs/dbraw/zinc/30/77/32/388307732.db2.gz INCRDHGHDCDEAF-UONOGXRCSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491676777 388310242 /nfs/dbraw/zinc/31/02/42/388310242.db2.gz XESURVIRHMZIGW-SECBINFHSA-N 1 2 234.255 1.754 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491676777 388310243 /nfs/dbraw/zinc/31/02/43/388310243.db2.gz XESURVIRHMZIGW-SECBINFHSA-N 1 2 234.255 1.754 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)nsc1C ZINC000491692577 388311120 /nfs/dbraw/zinc/31/11/20/388311120.db2.gz IUOQDBCTSJTURY-UHFFFAOYSA-N 1 2 218.325 1.828 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CCC(C)(C)C1=O ZINC000491703357 388312949 /nfs/dbraw/zinc/31/29/49/388312949.db2.gz SMZCULBYUDNNKB-SNVBAGLBSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCC(C)(C)C1=O ZINC000491703357 388312950 /nfs/dbraw/zinc/31/29/50/388312950.db2.gz SMZCULBYUDNNKB-SNVBAGLBSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ncc(C)cc1C ZINC000491719395 388314561 /nfs/dbraw/zinc/31/45/61/388314561.db2.gz ZTFYXJWLYOUECA-AWEZNQCLSA-N 1 2 244.338 1.575 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ncc(C)cc1C ZINC000491719395 388314562 /nfs/dbraw/zinc/31/45/62/388314562.db2.gz ZTFYXJWLYOUECA-AWEZNQCLSA-N 1 2 244.338 1.575 20 30 BDEDLO C#CC[N@@H+](CC(=O)NCCCCCC)C1CC1 ZINC000491730323 388315490 /nfs/dbraw/zinc/31/54/90/388315490.db2.gz OZJXCABYYXVPPO-UHFFFAOYSA-N 1 2 236.359 1.781 20 30 BDEDLO C#CC[N@H+](CC(=O)NCCCCCC)C1CC1 ZINC000491730323 388315491 /nfs/dbraw/zinc/31/54/91/388315491.db2.gz OZJXCABYYXVPPO-UHFFFAOYSA-N 1 2 236.359 1.781 20 30 BDEDLO C#CC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000491731506 388315762 /nfs/dbraw/zinc/31/57/62/388315762.db2.gz INPXXWZLOCLYTG-AWEZNQCLSA-N 1 2 231.295 1.399 20 30 BDEDLO C#CC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000491731506 388315763 /nfs/dbraw/zinc/31/57/63/388315763.db2.gz INPXXWZLOCLYTG-AWEZNQCLSA-N 1 2 231.295 1.399 20 30 BDEDLO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC000491733771 388316237 /nfs/dbraw/zinc/31/62/37/388316237.db2.gz KPIIDUUSMQOLIP-NEPJUHHUSA-N 1 2 247.342 1.998 20 30 BDEDLO C#CC[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC000491737048 388316363 /nfs/dbraw/zinc/31/63/63/388316363.db2.gz VKMKHEJWJUQABR-UHFFFAOYSA-N 1 2 225.295 1.937 20 30 BDEDLO C#CC[N@H+](C)Cc1nccn1-c1ccccc1 ZINC000491737048 388316364 /nfs/dbraw/zinc/31/63/64/388316364.db2.gz VKMKHEJWJUQABR-UHFFFAOYSA-N 1 2 225.295 1.937 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491754944 388318252 /nfs/dbraw/zinc/31/82/52/388318252.db2.gz WSVDTBBRNCZUAY-MNOVXSKESA-N 1 2 248.330 1.627 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)NCc1c[nH+]ccc1OC ZINC000491777071 388319896 /nfs/dbraw/zinc/31/98/96/388319896.db2.gz HFUITTSMRNZROU-JTQLQIEISA-N 1 2 247.298 1.253 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCCCC(=O)OCC ZINC000491791861 388321261 /nfs/dbraw/zinc/32/12/61/388321261.db2.gz CFHRBXJDMCPMKM-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCCCC(=O)OCC ZINC000491791861 388321262 /nfs/dbraw/zinc/32/12/62/388321262.db2.gz CFHRBXJDMCPMKM-GFCCVEGCSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccn1C ZINC000491071364 388268092 /nfs/dbraw/zinc/26/80/92/388268092.db2.gz KHFDRZNTGDDVJB-UHFFFAOYSA-N 1 2 200.285 1.484 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccn1C ZINC000491071364 388268093 /nfs/dbraw/zinc/26/80/93/388268093.db2.gz KHFDRZNTGDDVJB-UHFFFAOYSA-N 1 2 200.285 1.484 20 30 BDEDLO CCc1noc([C@@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000057878671 388369589 /nfs/dbraw/zinc/36/95/89/388369589.db2.gz DAMVWKOEAYYJFG-SECBINFHSA-N 1 2 234.303 1.929 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1ccc(C#N)nc1 ZINC000133033251 388376029 /nfs/dbraw/zinc/37/60/29/388376029.db2.gz CZYHMRBAOQPHKV-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO Cn1cc[nH+]c1CNc1ccc(C#N)nc1 ZINC000122462398 388397192 /nfs/dbraw/zinc/39/71/92/388397192.db2.gz AOPOSKISZXUIMH-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172883511 388411477 /nfs/dbraw/zinc/41/14/77/388411477.db2.gz ZVTZUVBLOHNQBU-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172883511 388411478 /nfs/dbraw/zinc/41/14/78/388411478.db2.gz ZVTZUVBLOHNQBU-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172884223 388411941 /nfs/dbraw/zinc/41/19/41/388411941.db2.gz RMRGULYNZBHYFF-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000172884223 388411942 /nfs/dbraw/zinc/41/19/42/388411942.db2.gz RMRGULYNZBHYFF-AWEZNQCLSA-N 1 2 246.310 1.405 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)o1 ZINC000597258999 388489145 /nfs/dbraw/zinc/48/91/45/388489145.db2.gz VIWMCKXHJPIKCR-UHFFFAOYSA-N 1 2 242.282 1.823 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)o1 ZINC000597258999 388489148 /nfs/dbraw/zinc/48/91/48/388489148.db2.gz VIWMCKXHJPIKCR-UHFFFAOYSA-N 1 2 242.282 1.823 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)C/C=C(/C)Cl)C1=O ZINC000528496427 388535539 /nfs/dbraw/zinc/53/55/39/388535539.db2.gz NZFCJYOXPIDUCQ-VQNWOSHQSA-N 1 2 242.750 1.848 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)C/C=C(/C)Cl)C1=O ZINC000528496427 388535543 /nfs/dbraw/zinc/53/55/43/388535543.db2.gz NZFCJYOXPIDUCQ-VQNWOSHQSA-N 1 2 242.750 1.848 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(CO)ccc1F ZINC000528513977 388536916 /nfs/dbraw/zinc/53/69/16/388536916.db2.gz FYMNUSUSBRFHEF-UHFFFAOYSA-N 1 2 221.275 1.773 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(CO)ccc1F ZINC000528513977 388536919 /nfs/dbraw/zinc/53/69/19/388536919.db2.gz FYMNUSUSBRFHEF-UHFFFAOYSA-N 1 2 221.275 1.773 20 30 BDEDLO CC#CCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000183827248 388570856 /nfs/dbraw/zinc/57/08/56/388570856.db2.gz PTSNOGQIHRMVHV-UHFFFAOYSA-N 1 2 219.288 1.262 20 30 BDEDLO C=C(Br)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000170928684 388575756 /nfs/dbraw/zinc/57/57/56/388575756.db2.gz QAFZFEKPFXZBSL-QMMMGPOBSA-N 1 2 247.136 1.105 20 30 BDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000170928684 388575759 /nfs/dbraw/zinc/57/57/59/388575759.db2.gz QAFZFEKPFXZBSL-QMMMGPOBSA-N 1 2 247.136 1.105 20 30 BDEDLO C[NH2+]Cc1noc([C@H](C)c2cccc(C#N)c2)n1 ZINC000414636852 388665639 /nfs/dbraw/zinc/66/56/39/388665639.db2.gz BDTPNBRNZFRPCW-SECBINFHSA-N 1 2 242.282 1.812 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccn(C)n1 ZINC000520424931 388668186 /nfs/dbraw/zinc/66/81/86/388668186.db2.gz GDKUVBQQTQUKCF-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO CC1CC(C#N)(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000125798457 388677668 /nfs/dbraw/zinc/67/76/68/388677668.db2.gz DDUBLRLVEWEVEE-UHFFFAOYSA-N 1 2 246.314 1.318 20 30 BDEDLO CCC[N@H+](CC#N)C[C@@H](O)CC(F)(F)F ZINC000189351167 388631771 /nfs/dbraw/zinc/63/17/71/388631771.db2.gz ZZTVLRNROSQASH-QMMMGPOBSA-N 1 2 224.226 1.535 20 30 BDEDLO CCC[N@@H+](CC#N)C[C@@H](O)CC(F)(F)F ZINC000189351167 388631773 /nfs/dbraw/zinc/63/17/73/388631773.db2.gz ZZTVLRNROSQASH-QMMMGPOBSA-N 1 2 224.226 1.535 20 30 BDEDLO COc1cc(C[NH2+]C(CF)CF)ccc1C#N ZINC000449378345 388748082 /nfs/dbraw/zinc/74/80/82/388748082.db2.gz DGPJUPIHBWNRER-UHFFFAOYSA-N 1 2 240.253 1.964 20 30 BDEDLO Cc1cc(N2CC(CCO)C2)c(C#N)c[nH+]1 ZINC000425249829 388702232 /nfs/dbraw/zinc/70/22/32/388702232.db2.gz UVBQLKSBKYLTTM-UHFFFAOYSA-N 1 2 217.272 1.080 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(C)C1=O ZINC000538711789 388707949 /nfs/dbraw/zinc/70/79/49/388707949.db2.gz SXIKWRMNXQVJFC-QWRGUYRKSA-N 1 2 223.320 1.089 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(C)C1=O ZINC000538711789 388707953 /nfs/dbraw/zinc/70/79/53/388707953.db2.gz SXIKWRMNXQVJFC-QWRGUYRKSA-N 1 2 223.320 1.089 20 30 BDEDLO CC[C@H](C#N)SCC[NH+]1CCOCC1 ZINC000127407912 388722989 /nfs/dbraw/zinc/72/29/89/388722989.db2.gz FXAOZYDRDYHNLV-SNVBAGLBSA-N 1 2 214.334 1.354 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(Br)no1 ZINC000292549280 135376007 /nfs/dbraw/zinc/37/60/07/135376007.db2.gz QTKISSWLYHEXRW-UHFFFAOYSA-N 1 2 243.104 1.892 20 30 BDEDLO C=CCC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC000129380236 388836982 /nfs/dbraw/zinc/83/69/82/388836982.db2.gz JGBQHRSBEFCTFS-JTQLQIEISA-N 1 2 229.320 1.245 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ncc(CC)o1 ZINC000564835474 388893073 /nfs/dbraw/zinc/89/30/73/388893073.db2.gz HXMNMTUSQZCUTG-UHFFFAOYSA-N 1 2 224.304 1.871 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ncc(CC)o1 ZINC000564835474 388893078 /nfs/dbraw/zinc/89/30/78/388893078.db2.gz HXMNMTUSQZCUTG-UHFFFAOYSA-N 1 2 224.304 1.871 20 30 BDEDLO COC(=O)c1ccc(C[N@H+](CCC#N)C(C)C)[nH]1 ZINC000541926775 388877746 /nfs/dbraw/zinc/87/77/46/388877746.db2.gz ZCCCZTXCOXKMNO-UHFFFAOYSA-N 1 2 249.314 1.925 20 30 BDEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)C(C)C)[nH]1 ZINC000541926775 388877748 /nfs/dbraw/zinc/87/77/48/388877748.db2.gz ZCCCZTXCOXKMNO-UHFFFAOYSA-N 1 2 249.314 1.925 20 30 BDEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000565408668 388941881 /nfs/dbraw/zinc/94/18/81/388941881.db2.gz VYQYVYOLXAKKDQ-NOZJJQNGSA-N 1 2 240.266 1.823 20 30 BDEDLO C=C(C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000275057860 389052272 /nfs/dbraw/zinc/05/22/72/389052272.db2.gz VLKHBGCZQSRTGL-UHFFFAOYSA-N 1 2 218.304 1.453 20 30 BDEDLO C=C(C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000275057860 389052267 /nfs/dbraw/zinc/05/22/67/389052267.db2.gz VLKHBGCZQSRTGL-UHFFFAOYSA-N 1 2 218.304 1.453 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000273277601 389039418 /nfs/dbraw/zinc/03/94/18/389039418.db2.gz IMXOCWZHDXQYIC-JTQLQIEISA-N 1 2 219.288 1.703 20 30 BDEDLO C#CCC[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC000273415101 389041591 /nfs/dbraw/zinc/04/15/91/389041591.db2.gz QWZPBXNASBJYNU-QWRGUYRKSA-N 1 2 211.305 1.577 20 30 BDEDLO C=C(C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000339163982 533489798 /nfs/dbraw/zinc/48/97/98/533489798.db2.gz JOMMSWBYMSEVOI-UHFFFAOYSA-N 1 2 221.304 1.387 20 30 BDEDLO C=C(C)C[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000370349420 533513386 /nfs/dbraw/zinc/51/33/86/533513386.db2.gz QGWZTPCBWMDGPH-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO C=C(C)C[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000370349420 533513389 /nfs/dbraw/zinc/51/33/89/533513389.db2.gz QGWZTPCBWMDGPH-WDEREUQCSA-N 1 2 227.304 1.215 20 30 BDEDLO Cc1ccnc(N2CCn3c[nH+]cc3C2)c1C#N ZINC000290644546 132217269 /nfs/dbraw/zinc/21/72/69/132217269.db2.gz IGBDUJMFDZHTRE-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO N#Cc1ccc(N2CCn3c[nH+]cc3C2)c(F)c1 ZINC000336455437 132247857 /nfs/dbraw/zinc/24/78/57/132247857.db2.gz IBIHICLGWHJAKR-UHFFFAOYSA-N 1 2 242.257 1.914 20 30 BDEDLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000330290846 134000127 /nfs/dbraw/zinc/00/01/27/134000127.db2.gz CNRIHPWCVDDKAB-ZWNOBZJWSA-N 1 2 249.314 1.724 20 30 BDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000330308624 134001353 /nfs/dbraw/zinc/00/13/53/134001353.db2.gz MIMWUWTVAVLRNN-UWVGGRQHSA-N 1 2 235.287 1.333 20 30 BDEDLO N#Cc1ccc(CN2CCn3c[nH+]cc3C2)o1 ZINC000336011089 134051248 /nfs/dbraw/zinc/05/12/48/134051248.db2.gz TXWAZUXPUSAKCV-UHFFFAOYSA-N 1 2 228.255 1.364 20 30 BDEDLO Cc1[nH]nc2ncc(C[N@@H+](C)C[C@@H](C)C#N)cc12 ZINC000352086605 134061151 /nfs/dbraw/zinc/06/11/51/134061151.db2.gz FMVXOMGJRXYFFP-VIFPVBQESA-N 1 2 243.314 1.858 20 30 BDEDLO Cc1[nH]nc2ncc(C[N@H+](C)C[C@@H](C)C#N)cc12 ZINC000352086605 134061152 /nfs/dbraw/zinc/06/11/52/134061152.db2.gz FMVXOMGJRXYFFP-VIFPVBQESA-N 1 2 243.314 1.858 20 30 BDEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)nc1 ZINC000352097876 134064698 /nfs/dbraw/zinc/06/46/98/134064698.db2.gz WQIQAFLQRGKISZ-NSHDSACASA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)nc1 ZINC000352097876 134064699 /nfs/dbraw/zinc/06/46/99/134064699.db2.gz WQIQAFLQRGKISZ-NSHDSACASA-N 1 2 203.289 1.982 20 30 BDEDLO N#Cc1cscc1C(=O)NCc1c[nH+]c[nH]1 ZINC000336177494 134117614 /nfs/dbraw/zinc/11/76/14/134117614.db2.gz TXOOLTYDBPFRKE-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO N#Cc1cscc1C(=O)NCc1c[nH]c[nH+]1 ZINC000336177494 134117615 /nfs/dbraw/zinc/11/76/15/134117615.db2.gz TXOOLTYDBPFRKE-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO N#CC1(C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000336629138 134152109 /nfs/dbraw/zinc/15/21/09/134152109.db2.gz BOGNQZBBZMZLBU-SECBINFHSA-N 1 2 207.277 1.680 20 30 BDEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000336629138 134152110 /nfs/dbraw/zinc/15/21/10/134152110.db2.gz BOGNQZBBZMZLBU-SECBINFHSA-N 1 2 207.277 1.680 20 30 BDEDLO C=CCO[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000302194738 134157486 /nfs/dbraw/zinc/15/74/86/134157486.db2.gz WYBRHEOOPLFPFQ-LLVKDONJSA-N 1 2 204.273 1.863 20 30 BDEDLO C=CCOCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000354888055 134170681 /nfs/dbraw/zinc/17/06/81/134170681.db2.gz RMXIFYXAJBXLGR-NSHDSACASA-N 1 2 249.314 1.318 20 30 BDEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)nn1C ZINC000356446811 134178314 /nfs/dbraw/zinc/17/83/14/134178314.db2.gz NIIRZQLNRBFDTN-UHFFFAOYSA-N 1 2 232.331 1.854 20 30 BDEDLO N#CCCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000361757684 134207603 /nfs/dbraw/zinc/20/76/03/134207603.db2.gz YXVQPNBITUHTMA-ZDUSSCGKSA-N 1 2 238.331 1.418 20 30 BDEDLO N#CCCC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000361757684 134207604 /nfs/dbraw/zinc/20/76/04/134207604.db2.gz YXVQPNBITUHTMA-ZDUSSCGKSA-N 1 2 238.331 1.418 20 30 BDEDLO C#CCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000367786044 134216349 /nfs/dbraw/zinc/21/63/49/134216349.db2.gz XXZAWYRHZDYMAO-UHFFFAOYSA-N 1 2 241.241 1.999 20 30 BDEDLO C#CC[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000368537210 134218768 /nfs/dbraw/zinc/21/87/68/134218768.db2.gz HKQOIWGNSREBIB-JTQLQIEISA-N 1 2 230.315 1.288 20 30 BDEDLO C#CC[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000368537210 134218769 /nfs/dbraw/zinc/21/87/69/134218769.db2.gz HKQOIWGNSREBIB-JTQLQIEISA-N 1 2 230.315 1.288 20 30 BDEDLO CC#CCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000372088405 134230440 /nfs/dbraw/zinc/23/04/40/134230440.db2.gz LQXQVWFSLDAMEP-NSHDSACASA-N 1 2 245.326 1.577 20 30 BDEDLO CC#CCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000372088405 134230441 /nfs/dbraw/zinc/23/04/41/134230441.db2.gz LQXQVWFSLDAMEP-NSHDSACASA-N 1 2 245.326 1.577 20 30 BDEDLO CC#CC[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374851072 134238245 /nfs/dbraw/zinc/23/82/45/134238245.db2.gz OIWBPQPCPYSZBW-UHFFFAOYSA-N 1 2 231.295 1.913 20 30 BDEDLO CC#CC[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374851072 134238246 /nfs/dbraw/zinc/23/82/46/134238246.db2.gz OIWBPQPCPYSZBW-UHFFFAOYSA-N 1 2 231.295 1.913 20 30 BDEDLO N#CCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375958305 134241484 /nfs/dbraw/zinc/24/14/84/134241484.db2.gz BXSYOPGXFYECPB-ZDUSSCGKSA-N 1 2 234.274 1.633 20 30 BDEDLO N#CCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375958305 134241485 /nfs/dbraw/zinc/24/14/85/134241485.db2.gz BXSYOPGXFYECPB-ZDUSSCGKSA-N 1 2 234.274 1.633 20 30 BDEDLO C=CCCCC(=O)NCCn1cc[nH+]c1 ZINC000175285343 134286232 /nfs/dbraw/zinc/28/62/32/134286232.db2.gz KFXBVSSSZAKGJG-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCc1ccccn1 ZINC000055279131 134389479 /nfs/dbraw/zinc/38/94/79/134389479.db2.gz YGWUNWUQRZBBSH-LLVKDONJSA-N 1 2 203.289 1.858 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCc1ccccn1 ZINC000055279131 134389481 /nfs/dbraw/zinc/38/94/81/134389481.db2.gz YGWUNWUQRZBBSH-LLVKDONJSA-N 1 2 203.289 1.858 20 30 BDEDLO C=CCSCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227771735 134394262 /nfs/dbraw/zinc/39/42/62/134394262.db2.gz CETRPWSSXQHTRT-JTQLQIEISA-N 1 2 229.345 1.447 20 30 BDEDLO Cc1[nH+]c2ccccn2c1Cn1cnc(C#N)n1 ZINC000134010342 134698889 /nfs/dbraw/zinc/69/88/89/134698889.db2.gz TYRSPEODGDDGNG-UHFFFAOYSA-N 1 2 238.254 1.154 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C[C@H](C)C#N)C2CC2)C1=O ZINC000337188527 135005003 /nfs/dbraw/zinc/00/50/03/135005003.db2.gz QXIYSIXHEVYREJ-YPMHNXCESA-N 1 2 247.342 1.397 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C[C@H](C)C#N)C2CC2)C1=O ZINC000337188527 135005004 /nfs/dbraw/zinc/00/50/04/135005004.db2.gz QXIYSIXHEVYREJ-YPMHNXCESA-N 1 2 247.342 1.397 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000337229465 135008001 /nfs/dbraw/zinc/00/80/01/135008001.db2.gz HQZNFVDWZVEVGI-SNVBAGLBSA-N 1 2 236.319 1.676 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000337229465 135008004 /nfs/dbraw/zinc/00/80/04/135008004.db2.gz HQZNFVDWZVEVGI-SNVBAGLBSA-N 1 2 236.319 1.676 20 30 BDEDLO C=C(C)CN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338183329 135029224 /nfs/dbraw/zinc/02/92/24/135029224.db2.gz ZCKWRWJRFSMFHC-UHFFFAOYSA-N 1 2 240.347 1.132 20 30 BDEDLO Cc1ccc(C[N@H+](CCO)CC2(C#N)CC2)o1 ZINC000331828821 135040532 /nfs/dbraw/zinc/04/05/32/135040532.db2.gz DKFYYIGCAYRHHN-UHFFFAOYSA-N 1 2 234.299 1.686 20 30 BDEDLO Cc1ccc(C[N@@H+](CCO)CC2(C#N)CC2)o1 ZINC000331828821 135040533 /nfs/dbraw/zinc/04/05/33/135040533.db2.gz DKFYYIGCAYRHHN-UHFFFAOYSA-N 1 2 234.299 1.686 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249806811 135045227 /nfs/dbraw/zinc/04/52/27/135045227.db2.gz AIKKUEIBFFUKBS-VXGBXAGGSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249806811 135045229 /nfs/dbraw/zinc/04/52/29/135045229.db2.gz AIKKUEIBFFUKBS-VXGBXAGGSA-N 1 2 239.363 1.773 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[S@@]1=O ZINC000339003685 135051205 /nfs/dbraw/zinc/05/12/05/135051205.db2.gz MLJJSPZBISXDRZ-CZFOOCMKSA-N 1 2 226.345 1.131 20 30 BDEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC[S@@]1=O ZINC000339003685 135051207 /nfs/dbraw/zinc/05/12/07/135051207.db2.gz MLJJSPZBISXDRZ-CZFOOCMKSA-N 1 2 226.345 1.131 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000251109586 135064470 /nfs/dbraw/zinc/06/44/70/135064470.db2.gz OVBBUFOJTITBFV-WDEREUQCSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000251109586 135064471 /nfs/dbraw/zinc/06/44/71/135064471.db2.gz OVBBUFOJTITBFV-WDEREUQCSA-N 1 2 237.347 1.525 20 30 BDEDLO C=CCOCC[N@H+]1CCC[C@@H]1C(F)F ZINC000339197282 135066108 /nfs/dbraw/zinc/06/61/08/135066108.db2.gz YFLGPEIKCCKJJZ-SECBINFHSA-N 1 2 205.248 1.919 20 30 BDEDLO C=CCOCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000339197282 135066111 /nfs/dbraw/zinc/06/61/11/135066111.db2.gz YFLGPEIKCCKJJZ-SECBINFHSA-N 1 2 205.248 1.919 20 30 BDEDLO Cc1cccc(C[NH+]2CCN(CC#N)CC2)c1F ZINC000294773085 135186751 /nfs/dbraw/zinc/18/67/51/135186751.db2.gz JOZBSGVFDULQBU-UHFFFAOYSA-N 1 2 247.317 1.775 20 30 BDEDLO Cc1cnccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000294987482 135188088 /nfs/dbraw/zinc/18/80/88/135188088.db2.gz XWSAANWWIWOFNF-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1cnccc1C[N@H+](C)C[C@@H](C)C#N ZINC000294987482 135188090 /nfs/dbraw/zinc/18/80/90/135188090.db2.gz XWSAANWWIWOFNF-JTQLQIEISA-N 1 2 203.289 1.982 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261556512 135197055 /nfs/dbraw/zinc/19/70/55/135197055.db2.gz VZRUYGMIXCXFCV-SFYZADRCSA-N 1 2 218.247 1.064 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299154713 135202366 /nfs/dbraw/zinc/20/23/66/135202366.db2.gz HPFSOVOGHWCROM-CHWSQXEVSA-N 1 2 249.358 1.667 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299154713 135202367 /nfs/dbraw/zinc/20/23/67/135202367.db2.gz HPFSOVOGHWCROM-CHWSQXEVSA-N 1 2 249.358 1.667 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000042324449 135221632 /nfs/dbraw/zinc/22/16/32/135221632.db2.gz JCUATGFCOTWPEZ-ZJUUUORDSA-N 1 2 225.336 1.381 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000042324449 135221634 /nfs/dbraw/zinc/22/16/34/135221634.db2.gz JCUATGFCOTWPEZ-ZJUUUORDSA-N 1 2 225.336 1.381 20 30 BDEDLO CC#CC[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342036535 135247946 /nfs/dbraw/zinc/24/79/46/135247946.db2.gz FFPDDVLYQHJPGU-LBPRGKRZSA-N 1 2 230.311 1.558 20 30 BDEDLO CC#CC[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342036535 135247947 /nfs/dbraw/zinc/24/79/47/135247947.db2.gz FFPDDVLYQHJPGU-LBPRGKRZSA-N 1 2 230.311 1.558 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1cc(C#N)ccn1 ZINC000342411713 135266661 /nfs/dbraw/zinc/26/66/61/135266661.db2.gz IHRWLFGHIIXLNK-UHFFFAOYSA-N 1 2 213.244 1.313 20 30 BDEDLO CCOC(=O)C[N@H+](CCCC#N)C1CCC1 ZINC000342636014 135299228 /nfs/dbraw/zinc/29/92/28/135299228.db2.gz RLTZBFSPULGQAR-UHFFFAOYSA-N 1 2 224.304 1.708 20 30 BDEDLO CCOC(=O)C[N@@H+](CCCC#N)C1CCC1 ZINC000342636014 135299230 /nfs/dbraw/zinc/29/92/30/135299230.db2.gz RLTZBFSPULGQAR-UHFFFAOYSA-N 1 2 224.304 1.708 20 30 BDEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)C#N)cn21 ZINC000334349437 135368247 /nfs/dbraw/zinc/36/82/47/135368247.db2.gz DOFHDJCHARCIFS-VIFPVBQESA-N 1 2 242.282 1.419 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(Br)no1 ZINC000292549280 135376006 /nfs/dbraw/zinc/37/60/06/135376006.db2.gz QTKISSWLYHEXRW-UHFFFAOYSA-N 1 2 243.104 1.892 20 30 BDEDLO C=CC[C@H](CC)NC(=O)NCCn1cc[nH+]c1 ZINC000281126835 135502249 /nfs/dbraw/zinc/50/22/49/135502249.db2.gz YIEWCMNZHBINFQ-NSHDSACASA-N 1 2 236.319 1.537 20 30 BDEDLO C#CCO[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000294982356 135681775 /nfs/dbraw/zinc/68/17/75/135681775.db2.gz SIVLNQUTXULRAV-JTQLQIEISA-N 1 2 218.256 1.367 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000348132771 136038248 /nfs/dbraw/zinc/03/82/48/136038248.db2.gz IPMNTVFVDYVSBK-UHFFFAOYSA-N 1 2 208.309 1.867 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000348132771 136038249 /nfs/dbraw/zinc/03/82/49/136038249.db2.gz IPMNTVFVDYVSBK-UHFFFAOYSA-N 1 2 208.309 1.867 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335351457 136069161 /nfs/dbraw/zinc/06/91/61/136069161.db2.gz VMCPLMIRXFSZEN-MNOVXSKESA-N 1 2 246.314 1.206 20 30 BDEDLO C=CCC[C@@H](CC)[NH2+][C@@H](COC)C(=O)OC ZINC000310013256 397875462 /nfs/dbraw/zinc/87/54/62/397875462.db2.gz JQDDKSGPOPZCCL-MNOVXSKESA-N 1 2 229.320 1.509 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537716 397930209 /nfs/dbraw/zinc/93/02/09/397930209.db2.gz PTVCTHKSDYZLCH-GHMZBOCLSA-N 1 2 249.314 1.757 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649537716 397930214 /nfs/dbraw/zinc/93/02/14/397930214.db2.gz PTVCTHKSDYZLCH-GHMZBOCLSA-N 1 2 249.314 1.757 20 30 BDEDLO CC#CCN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000266029670 397935020 /nfs/dbraw/zinc/93/50/20/397935020.db2.gz RSIFUZKNPBWMIH-UHFFFAOYSA-N 1 2 245.248 1.901 20 30 BDEDLO CSC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444721698 397942992 /nfs/dbraw/zinc/94/29/92/397942992.db2.gz FRQJWNWZQSISLI-QWRGUYRKSA-N 1 2 242.388 1.724 20 30 BDEDLO CSC[C@@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444721698 397942996 /nfs/dbraw/zinc/94/29/96/397942996.db2.gz FRQJWNWZQSISLI-QWRGUYRKSA-N 1 2 242.388 1.724 20 30 BDEDLO C#CCN(c1cc(CC)[nH+]c(C)n1)C1CC1 ZINC000491275574 398036167 /nfs/dbraw/zinc/03/61/67/398036167.db2.gz FGMCMKZVEMRCPI-UHFFFAOYSA-N 1 2 215.300 1.949 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000491715252 398062929 /nfs/dbraw/zinc/06/29/29/398062929.db2.gz PCIYHSKSBOTLKF-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000491715252 398062936 /nfs/dbraw/zinc/06/29/36/398062936.db2.gz PCIYHSKSBOTLKF-GFCCVEGCSA-N 1 2 240.310 1.721 20 30 BDEDLO COC(=O)c1[nH]c(C[NH+]2CC(CC#N)C2)cc1C ZINC000602710154 398079257 /nfs/dbraw/zinc/07/92/57/398079257.db2.gz USCDNBLIFNVSHF-UHFFFAOYSA-N 1 2 247.298 1.455 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCC(C)(C)C ZINC000625449384 398083031 /nfs/dbraw/zinc/08/30/31/398083031.db2.gz CGTRMHNGIQRNQW-UHFFFAOYSA-N 1 2 210.321 1.104 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000625449384 398083035 /nfs/dbraw/zinc/08/30/35/398083035.db2.gz CGTRMHNGIQRNQW-UHFFFAOYSA-N 1 2 210.321 1.104 20 30 BDEDLO Cn1cc(C[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000191250483 398102664 /nfs/dbraw/zinc/10/26/64/398102664.db2.gz OZNFMYPIEVSLQM-UHFFFAOYSA-N 1 2 233.315 1.508 20 30 BDEDLO Cn1cc(C[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000191250483 398102667 /nfs/dbraw/zinc/10/26/67/398102667.db2.gz OZNFMYPIEVSLQM-UHFFFAOYSA-N 1 2 233.315 1.508 20 30 BDEDLO C=CCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000365288348 398119982 /nfs/dbraw/zinc/11/99/82/398119982.db2.gz IXJFOSYJCRTYIW-GFCCVEGCSA-N 1 2 247.342 1.918 20 30 BDEDLO CC#CC[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662358632 409672959 /nfs/dbraw/zinc/67/29/59/409672959.db2.gz CTYYRENHXANWOW-GXSJLCMTSA-N 1 2 217.259 1.754 20 30 BDEDLO CC#CC[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662358632 409672966 /nfs/dbraw/zinc/67/29/66/409672966.db2.gz CTYYRENHXANWOW-GXSJLCMTSA-N 1 2 217.259 1.754 20 30 BDEDLO C=CCCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661090651 410160685 /nfs/dbraw/zinc/16/06/85/410160685.db2.gz FKXBPKFUVRZNOP-SNVBAGLBSA-N 1 2 236.319 1.747 20 30 BDEDLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661155348 410309220 /nfs/dbraw/zinc/30/92/20/410309220.db2.gz UOHXHHFIFKLICT-GFCCVEGCSA-N 1 2 245.326 1.833 20 30 BDEDLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000661155348 410309225 /nfs/dbraw/zinc/30/92/25/410309225.db2.gz UOHXHHFIFKLICT-GFCCVEGCSA-N 1 2 245.326 1.833 20 30 BDEDLO C=CC[N@H+](Cc1cnns1)[C@@H](C)COC ZINC000661240286 410399588 /nfs/dbraw/zinc/39/95/88/410399588.db2.gz MZROGWVYSZNFFH-VIFPVBQESA-N 1 2 227.333 1.561 20 30 BDEDLO C=CC[N@@H+](Cc1cnns1)[C@@H](C)COC ZINC000661240286 410399593 /nfs/dbraw/zinc/39/95/93/410399593.db2.gz MZROGWVYSZNFFH-VIFPVBQESA-N 1 2 227.333 1.561 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C ZINC000266904237 166167827 /nfs/dbraw/zinc/16/78/27/166167827.db2.gz HFKHJEDIHOUSLU-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C ZINC000266904237 166167829 /nfs/dbraw/zinc/16/78/29/166167829.db2.gz HFKHJEDIHOUSLU-UHFFFAOYSA-N 1 2 230.311 1.889 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000155462554 166182276 /nfs/dbraw/zinc/18/22/76/166182276.db2.gz IUAQZZFHLSDUIH-LLVKDONJSA-N 1 2 228.295 1.140 20 30 BDEDLO C=CCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000279727007 166259737 /nfs/dbraw/zinc/25/97/37/166259737.db2.gz MRXHEEUVDFCTKV-UHFFFAOYSA-N 1 2 208.309 1.867 20 30 BDEDLO C=CC[N@@H+](CC(=C)C)[C@H]1CCS(=O)(=O)C1 ZINC000264553391 166322560 /nfs/dbraw/zinc/32/25/60/166322560.db2.gz ZUIKCJGVXZQNCH-NSHDSACASA-N 1 2 229.345 1.238 20 30 BDEDLO C=CC[N@H+](CC(=C)C)[C@H]1CCS(=O)(=O)C1 ZINC000264553391 166322562 /nfs/dbraw/zinc/32/25/62/166322562.db2.gz ZUIKCJGVXZQNCH-NSHDSACASA-N 1 2 229.345 1.238 20 30 BDEDLO C=CC[N@@H+](CC=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171748287 166325590 /nfs/dbraw/zinc/32/55/90/166325590.db2.gz FHNULKUORKKQBM-LBPRGKRZSA-N 1 2 243.372 1.628 20 30 BDEDLO C=CC[N@H+](CC=C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171748287 166325594 /nfs/dbraw/zinc/32/55/94/166325594.db2.gz FHNULKUORKKQBM-LBPRGKRZSA-N 1 2 243.372 1.628 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2conc2C)C1=O ZINC000294681204 166358259 /nfs/dbraw/zinc/35/82/59/166358259.db2.gz MWYUPEMOYBXYBX-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2conc2C)C1=O ZINC000294681204 166358260 /nfs/dbraw/zinc/35/82/60/166358260.db2.gz MWYUPEMOYBXYBX-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000155751267 166382149 /nfs/dbraw/zinc/38/21/49/166382149.db2.gz MUNWUNZRBQXVHV-LLVKDONJSA-N 1 2 233.315 1.204 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155751267 166382153 /nfs/dbraw/zinc/38/21/53/166382153.db2.gz MUNWUNZRBQXVHV-LLVKDONJSA-N 1 2 233.315 1.204 20 30 BDEDLO C=C(C)CCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000656154168 411188666 /nfs/dbraw/zinc/18/86/66/411188666.db2.gz UDEGYASEIKZOMI-UHFFFAOYSA-N 1 2 248.330 1.683 20 30 BDEDLO C=CCCn1cc(C[N@H+]2CC[C@H]2COC)nn1 ZINC000653702920 411194558 /nfs/dbraw/zinc/19/45/58/411194558.db2.gz UAXIAXMBQOCKOP-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H]2COC)nn1 ZINC000653702920 411194561 /nfs/dbraw/zinc/19/45/61/411194561.db2.gz UAXIAXMBQOCKOP-LBPRGKRZSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nc(C)no1 ZINC000653890621 411209808 /nfs/dbraw/zinc/20/98/08/411209808.db2.gz HLNSGHVMUBJJJS-JTQLQIEISA-N 1 2 225.292 1.137 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nc(C)no1 ZINC000653890621 411209811 /nfs/dbraw/zinc/20/98/11/411209811.db2.gz HLNSGHVMUBJJJS-JTQLQIEISA-N 1 2 225.292 1.137 20 30 BDEDLO C=CCC[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658158680 411272728 /nfs/dbraw/zinc/27/27/28/411272728.db2.gz JDRRZPGITXMASQ-SECBINFHSA-N 1 2 224.308 1.395 20 30 BDEDLO C=CCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000656542972 411298617 /nfs/dbraw/zinc/29/86/17/411298617.db2.gz WNCYNAPGCMMOHZ-JTQLQIEISA-N 1 2 222.292 1.147 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]n1 ZINC000662091484 411360796 /nfs/dbraw/zinc/36/07/96/411360796.db2.gz YOCZPHOEHFMSNX-PHIMTYICSA-N 1 2 204.277 1.488 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]n1 ZINC000662091484 411360800 /nfs/dbraw/zinc/36/08/00/411360800.db2.gz YOCZPHOEHFMSNX-PHIMTYICSA-N 1 2 204.277 1.488 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(C2CC2)o1 ZINC000662168802 411371965 /nfs/dbraw/zinc/37/19/65/411371965.db2.gz VPFXPFNVACRHCT-SECBINFHSA-N 1 2 208.261 1.189 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000662168737 411372316 /nfs/dbraw/zinc/37/23/16/411372316.db2.gz SCWSUCUKMRUFNG-POYBYMJQSA-N 1 2 213.306 1.044 20 30 BDEDLO C=CCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000653497059 411396985 /nfs/dbraw/zinc/39/69/85/411396985.db2.gz PAEUIBITDFUFOR-UHFFFAOYSA-N 1 2 238.360 1.403 20 30 BDEDLO CCOC(=O)C(C)(C)[NH2+]CCC(C)(C)C#N ZINC000336777803 170187731 /nfs/dbraw/zinc/18/77/31/170187731.db2.gz JPAPQTSRPCXZHU-UHFFFAOYSA-N 1 2 226.320 1.858 20 30 BDEDLO C=CC[N@H+](Cc1cn(C)cn1)[C@@H](C)COC ZINC000661239455 411739542 /nfs/dbraw/zinc/73/95/42/411739542.db2.gz GJWXTLSMAQLRRQ-NSHDSACASA-N 1 2 223.320 1.443 20 30 BDEDLO C=CC[N@@H+](Cc1cn(C)cn1)[C@@H](C)COC ZINC000661239455 411739546 /nfs/dbraw/zinc/73/95/46/411739546.db2.gz GJWXTLSMAQLRRQ-NSHDSACASA-N 1 2 223.320 1.443 20 30 BDEDLO C=CC[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661380432 411762764 /nfs/dbraw/zinc/76/27/64/411762764.db2.gz HAFBLPYKXPNTLL-SECBINFHSA-N 1 2 222.292 1.298 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nnc(C)o1 ZINC000661530286 411796847 /nfs/dbraw/zinc/79/68/47/411796847.db2.gz SBFLQCONIZIPGT-SNVBAGLBSA-N 1 2 225.292 1.137 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nnc(C)o1 ZINC000661530286 411796850 /nfs/dbraw/zinc/79/68/50/411796850.db2.gz SBFLQCONIZIPGT-SNVBAGLBSA-N 1 2 225.292 1.137 20 30 BDEDLO C=CCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000664227190 411889519 /nfs/dbraw/zinc/88/95/19/411889519.db2.gz DANNQRMWVFAHRV-VIFPVBQESA-N 1 2 222.292 1.257 20 30 BDEDLO C=CCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000664227190 411889525 /nfs/dbraw/zinc/88/95/25/411889525.db2.gz DANNQRMWVFAHRV-VIFPVBQESA-N 1 2 222.292 1.257 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372171 412129037 /nfs/dbraw/zinc/12/90/37/412129037.db2.gz PZWHRMOJGLQFMP-SNVBAGLBSA-N 1 2 203.232 1.366 20 30 BDEDLO CC#CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372171 412129042 /nfs/dbraw/zinc/12/90/42/412129042.db2.gz PZWHRMOJGLQFMP-SNVBAGLBSA-N 1 2 203.232 1.366 20 30 BDEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)cn2)CCO1 ZINC000523731744 412134073 /nfs/dbraw/zinc/13/40/73/412134073.db2.gz PTWAQFLEUFRNEO-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)cn2)CCO1 ZINC000523731744 412134081 /nfs/dbraw/zinc/13/40/81/412134081.db2.gz PTWAQFLEUFRNEO-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO CC(C)(CNc1ccc(C#N)nn1)n1cc[nH+]c1 ZINC000601198638 412255941 /nfs/dbraw/zinc/25/59/41/412255941.db2.gz ZYDZDQBXWIBYRI-UHFFFAOYSA-N 1 2 242.286 1.392 20 30 BDEDLO CCn1cc[nH+]c1CNc1ccc(C#N)nc1 ZINC000283817748 172224510 /nfs/dbraw/zinc/22/45/10/172224510.db2.gz PPGIGKYUQXECPD-UHFFFAOYSA-N 1 2 227.271 1.782 20 30 BDEDLO CCn1cc[nH+]c1CNc1cccnc1C#N ZINC000294978559 172226065 /nfs/dbraw/zinc/22/60/65/172226065.db2.gz LSBFUOMEXRSVLW-UHFFFAOYSA-N 1 2 227.271 1.782 20 30 BDEDLO CNc1ccc(Nc2snc(C)c2C#N)c[nH+]1 ZINC000360954263 173210359 /nfs/dbraw/zinc/21/03/59/173210359.db2.gz PJTQWHRNNCUXDI-UHFFFAOYSA-N 1 2 245.311 1.925 20 30 BDEDLO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2CCC#N)c1 ZINC000225729885 175296644 /nfs/dbraw/zinc/29/66/44/175296644.db2.gz YDHHYLLYJLTCPY-TZMCWYRMSA-N 1 2 246.310 1.717 20 30 BDEDLO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2CCC#N)c1 ZINC000225729885 175296645 /nfs/dbraw/zinc/29/66/45/175296645.db2.gz YDHHYLLYJLTCPY-TZMCWYRMSA-N 1 2 246.310 1.717 20 30 BDEDLO COc1cc[nH+]c(Cn2cnc(C#N)c2C#N)c1 ZINC000126100977 175361745 /nfs/dbraw/zinc/36/17/45/175361745.db2.gz DWCVAMYLDABHAF-UHFFFAOYSA-N 1 2 239.238 1.078 20 30 BDEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000112560406 176299443 /nfs/dbraw/zinc/29/94/43/176299443.db2.gz XNQULLNPQXGSPQ-MNOVXSKESA-N 1 2 223.345 1.867 20 30 BDEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000112560406 176299445 /nfs/dbraw/zinc/29/94/45/176299445.db2.gz XNQULLNPQXGSPQ-MNOVXSKESA-N 1 2 223.345 1.867 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276733748 176337424 /nfs/dbraw/zinc/33/74/24/176337424.db2.gz HPQHFSBBEDFTPS-SNVBAGLBSA-N 1 2 219.288 1.117 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276733748 176337426 /nfs/dbraw/zinc/33/74/26/176337426.db2.gz HPQHFSBBEDFTPS-SNVBAGLBSA-N 1 2 219.288 1.117 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160793857 176338011 /nfs/dbraw/zinc/33/80/11/176338011.db2.gz WEMMJLVUVZMWKS-SNVBAGLBSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160793857 176338014 /nfs/dbraw/zinc/33/80/14/176338014.db2.gz WEMMJLVUVZMWKS-SNVBAGLBSA-N 1 2 234.274 1.918 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000130816445 176338039 /nfs/dbraw/zinc/33/80/39/176338039.db2.gz FTCMMSKJHYKZMZ-SECBINFHSA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000130816445 176338041 /nfs/dbraw/zinc/33/80/41/176338041.db2.gz FTCMMSKJHYKZMZ-SECBINFHSA-N 1 2 222.313 1.840 20 30 BDEDLO C[C@H](C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117769774 176555202 /nfs/dbraw/zinc/55/52/02/176555202.db2.gz LWWIUKVGYFKUJJ-SNVBAGLBSA-N 1 2 240.266 1.514 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000119342795 177032617 /nfs/dbraw/zinc/03/26/17/177032617.db2.gz FBJXKALMKNRVSH-LLVKDONJSA-N 1 2 243.310 1.393 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)C(=O)C1 ZINC000119342795 177032618 /nfs/dbraw/zinc/03/26/18/177032618.db2.gz FBJXKALMKNRVSH-LLVKDONJSA-N 1 2 243.310 1.393 20 30 BDEDLO C=C1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668304753 487638208 /nfs/dbraw/zinc/63/82/08/487638208.db2.gz VFFFKMXAOSUQEU-NSHDSACASA-N 1 2 245.326 1.693 20 30 BDEDLO C=C1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668304753 487638213 /nfs/dbraw/zinc/63/82/13/487638213.db2.gz VFFFKMXAOSUQEU-NSHDSACASA-N 1 2 245.326 1.693 20 30 BDEDLO N#CCCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493130784 226136338 /nfs/dbraw/zinc/13/63/38/226136338.db2.gz XCQZMLZPEXDKFL-ARJAWSKDSA-N 1 2 243.270 1.079 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000680864702 487660340 /nfs/dbraw/zinc/66/03/40/487660340.db2.gz HJBBXSRQKQCNFI-NEPJUHHUSA-N 1 2 243.372 1.297 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000680864702 487660345 /nfs/dbraw/zinc/66/03/45/487660345.db2.gz HJBBXSRQKQCNFI-NEPJUHHUSA-N 1 2 243.372 1.297 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000680864716 487660127 /nfs/dbraw/zinc/66/01/27/487660127.db2.gz HJBBXSRQKQCNFI-VXGBXAGGSA-N 1 2 243.372 1.297 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000680864716 487660130 /nfs/dbraw/zinc/66/01/30/487660130.db2.gz HJBBXSRQKQCNFI-VXGBXAGGSA-N 1 2 243.372 1.297 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668854180 487665569 /nfs/dbraw/zinc/66/55/69/487665569.db2.gz CMUHCROJXPKDGV-ZJUUUORDSA-N 1 2 233.315 1.595 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668854180 487665574 /nfs/dbraw/zinc/66/55/74/487665574.db2.gz CMUHCROJXPKDGV-ZJUUUORDSA-N 1 2 233.315 1.595 20 30 BDEDLO Cc1cc(N2CCOCC3(CC3)C2)c(C#N)c[nH+]1 ZINC000425247794 229149476 /nfs/dbraw/zinc/14/94/76/229149476.db2.gz PCEWQJPLSSTZIL-UHFFFAOYSA-N 1 2 243.310 1.879 20 30 BDEDLO COCC#CC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000671736896 487713052 /nfs/dbraw/zinc/71/30/52/487713052.db2.gz DHVNDGSPEPNSSB-VIFPVBQESA-N 1 2 240.253 1.660 20 30 BDEDLO N#Cc1cnc(NCCCCn2cc[nH+]c2)cn1 ZINC000083647229 487732324 /nfs/dbraw/zinc/73/23/24/487732324.db2.gz MEQAAJXTORLBTR-UHFFFAOYSA-N 1 2 242.286 1.437 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649618484 487774095 /nfs/dbraw/zinc/77/40/95/487774095.db2.gz AHNMTHOYSFEESG-UHFFFAOYSA-N 1 2 217.316 1.675 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649618484 487774098 /nfs/dbraw/zinc/77/40/98/487774098.db2.gz AHNMTHOYSFEESG-UHFFFAOYSA-N 1 2 217.316 1.675 20 30 BDEDLO CC#CCCCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000681361203 487784478 /nfs/dbraw/zinc/78/44/78/487784478.db2.gz AFRNWNPJJLYEIT-UHFFFAOYSA-N 1 2 245.326 1.702 20 30 BDEDLO C#CCCCO[NH+]=C(N)COC(C)(C)C ZINC000768936120 585546308 /nfs/dbraw/zinc/54/63/08/585546308.db2.gz ZTRCFWWKIYFXRE-UHFFFAOYSA-N 1 2 212.293 1.713 20 30 BDEDLO CC[N@H+](CC(=O)NO)Cc1ccc(Cl)cc1 ZINC000671996369 487927126 /nfs/dbraw/zinc/92/71/26/487927126.db2.gz SKFQGFWMVLTUMK-UHFFFAOYSA-N 1 2 242.706 1.667 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)NCC(C)(C)CCC#N ZINC000561653847 323004994 /nfs/dbraw/zinc/00/49/94/323004994.db2.gz QQVNSPGHAIFSSG-UHFFFAOYSA-N 1 2 248.330 1.409 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC#N)ccn12 ZINC000572778410 323068394 /nfs/dbraw/zinc/06/83/94/323068394.db2.gz HTJDRSXZQLNVFE-VIFPVBQESA-N 1 2 242.282 1.675 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/C1CCCC1 ZINC000493692930 323087130 /nfs/dbraw/zinc/08/71/30/323087130.db2.gz MSXYKTWTHMPSHL-MYSGNRETSA-N 1 2 249.358 1.693 20 30 BDEDLO C[C@@H]1CC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000563220787 323104484 /nfs/dbraw/zinc/10/44/84/323104484.db2.gz VEDNRGTVCGLSKV-WZRBSPASSA-N 1 2 237.347 1.383 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CC2(CCC2)C1 ZINC000563219924 323104677 /nfs/dbraw/zinc/10/46/77/323104677.db2.gz BQBCVBMRBLZJHH-CYBMUJFWSA-N 1 2 249.358 1.527 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)C(C)C ZINC000571222501 323138480 /nfs/dbraw/zinc/13/84/80/323138480.db2.gz FZTPIFOIMMXCFL-MNOVXSKESA-N 1 2 225.336 1.429 20 30 BDEDLO C#CCC[NH2+][C@@H](C(=O)OCC)[C@H](C)CC ZINC000273415098 323636756 /nfs/dbraw/zinc/63/67/56/323636756.db2.gz QWZPBXNASBJYNU-GHMZBOCLSA-N 1 2 211.305 1.577 20 30 BDEDLO C#CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000119790114 323937172 /nfs/dbraw/zinc/93/71/72/323937172.db2.gz UJHHDLQLWZOOBE-UHFFFAOYSA-N 1 2 241.294 1.484 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(COC)c1 ZINC000491662479 324157451 /nfs/dbraw/zinc/15/74/51/324157451.db2.gz ODKWUOOYYFOOMG-HNNXBMFYSA-N 1 2 245.322 1.667 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(COC)c1 ZINC000491662479 324157455 /nfs/dbraw/zinc/15/74/55/324157455.db2.gz ODKWUOOYYFOOMG-HNNXBMFYSA-N 1 2 245.322 1.667 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cnn(CCC)c1 ZINC000127438604 324767595 /nfs/dbraw/zinc/76/75/95/324767595.db2.gz JZSUPAXJXIZMMD-UHFFFAOYSA-N 1 2 215.300 1.362 20 30 BDEDLO C=CCCC(=O)NCCc1c[nH+]cn1C ZINC000542481575 325030342 /nfs/dbraw/zinc/03/03/42/325030342.db2.gz RQWGZSAOSPEQIW-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C)c(C(=O)OC)o1 ZINC000076185987 325335429 /nfs/dbraw/zinc/33/54/29/325335429.db2.gz YGDBZJLEJWGVGG-UHFFFAOYSA-N 1 2 245.278 1.443 20 30 BDEDLO N#Cc1cnccc1NCc1cn2ccccc2[nH+]1 ZINC000547824342 325404695 /nfs/dbraw/zinc/40/46/95/325404695.db2.gz NGUCVHMCQUBWOQ-UHFFFAOYSA-N 1 2 249.277 1.635 20 30 BDEDLO C=CCN(C(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000564841570 325815126 /nfs/dbraw/zinc/81/51/26/325815126.db2.gz OMCCDCDKCPXXJL-JTQLQIEISA-N 1 2 237.328 1.320 20 30 BDEDLO CSc1cc(C[NH2+]CCC#N)ccn1 ZINC000566112565 325996972 /nfs/dbraw/zinc/99/69/72/325996972.db2.gz YAYMMYSHLXXMPF-UHFFFAOYSA-N 1 2 207.302 1.807 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC#N ZINC000566452391 326050103 /nfs/dbraw/zinc/05/01/03/326050103.db2.gz ZKHJZWJFDJZDIO-VIFPVBQESA-N 1 2 220.276 1.008 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC#N ZINC000566452391 326050105 /nfs/dbraw/zinc/05/01/05/326050105.db2.gz ZKHJZWJFDJZDIO-VIFPVBQESA-N 1 2 220.276 1.008 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000566664402 326072373 /nfs/dbraw/zinc/07/23/73/326072373.db2.gz UBGSFMBBRMBELK-SNVBAGLBSA-N 1 2 215.300 1.820 20 30 BDEDLO COc1ccc[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000566831342 326086235 /nfs/dbraw/zinc/08/62/35/326086235.db2.gz GJPLBIWQMBOXLS-UHFFFAOYSA-N 1 2 242.282 1.912 20 30 BDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CCC1 ZINC000566858454 326089015 /nfs/dbraw/zinc/08/90/15/326089015.db2.gz FOQCCBUXKBBZBG-GWCFXTLKSA-N 1 2 237.347 1.383 20 30 BDEDLO CC(=O)Nc1cccc(C[NH2+]CCC#N)c1 ZINC000567679324 326242998 /nfs/dbraw/zinc/24/29/98/326242998.db2.gz SFUHEWULOANKFH-UHFFFAOYSA-N 1 2 217.272 1.648 20 30 BDEDLO C#CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000156939641 326249844 /nfs/dbraw/zinc/24/98/44/326249844.db2.gz PHHWAWKGARFNLS-UHFFFAOYSA-N 1 2 201.273 1.709 20 30 BDEDLO N#CC1(CN2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000568644721 326370302 /nfs/dbraw/zinc/37/03/02/326370302.db2.gz SDRCXWHUTLEVNK-ZDUSSCGKSA-N 1 2 249.358 1.087 20 30 BDEDLO COCC#CC[N@@H+](CCOC)Cc1ccco1 ZINC000677133008 487979034 /nfs/dbraw/zinc/97/90/34/487979034.db2.gz CCUDVGJEWCXOOO-UHFFFAOYSA-N 1 2 237.299 1.378 20 30 BDEDLO COCC#CC[N@H+](CCOC)Cc1ccco1 ZINC000677133008 487979039 /nfs/dbraw/zinc/97/90/39/487979039.db2.gz CCUDVGJEWCXOOO-UHFFFAOYSA-N 1 2 237.299 1.378 20 30 BDEDLO C=C(C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682533296 487979735 /nfs/dbraw/zinc/97/97/35/487979735.db2.gz FBPSGMWWTSQYIW-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000192228589 487991592 /nfs/dbraw/zinc/99/15/92/487991592.db2.gz MHKDVORCMZFTPI-AWEZNQCLSA-N 1 2 242.322 1.571 20 30 BDEDLO C#CC[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000192228589 487991600 /nfs/dbraw/zinc/99/16/00/487991600.db2.gz MHKDVORCMZFTPI-AWEZNQCLSA-N 1 2 242.322 1.571 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(C)cc1 ZINC000192227383 487991944 /nfs/dbraw/zinc/99/19/44/487991944.db2.gz DILCLEFNYBQTPM-UHFFFAOYSA-N 1 2 230.311 1.176 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000192221881 487991789 /nfs/dbraw/zinc/99/17/89/487991789.db2.gz XFMJVJALVNEBJJ-UHFFFAOYSA-N 1 2 228.295 1.141 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000192221881 487991795 /nfs/dbraw/zinc/99/17/95/487991795.db2.gz XFMJVJALVNEBJJ-UHFFFAOYSA-N 1 2 228.295 1.141 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(C)cc1 ZINC000192227383 487991942 /nfs/dbraw/zinc/99/19/42/487991942.db2.gz DILCLEFNYBQTPM-UHFFFAOYSA-N 1 2 230.311 1.176 20 30 BDEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(C)no1 ZINC000683040543 488093497 /nfs/dbraw/zinc/09/34/97/488093497.db2.gz BGXLUCXSNLAHPI-SECBINFHSA-N 1 2 225.292 1.573 20 30 BDEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(C)no1 ZINC000683040543 488093499 /nfs/dbraw/zinc/09/34/99/488093499.db2.gz BGXLUCXSNLAHPI-SECBINFHSA-N 1 2 225.292 1.573 20 30 BDEDLO C=C[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000390197440 488141365 /nfs/dbraw/zinc/14/13/65/488141365.db2.gz PQAVVTWVYPRTCD-SECBINFHSA-N 1 2 221.304 1.155 20 30 BDEDLO CCC#C[C@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000679868936 487477549 /nfs/dbraw/zinc/47/75/49/487477549.db2.gz KKZIFLRACDFCMQ-LBPRGKRZSA-N 1 2 217.316 1.809 20 30 BDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000313331976 490296638 /nfs/dbraw/zinc/29/66/38/490296638.db2.gz ZFEREXUVIXROQS-UHFFFAOYSA-N 1 2 245.273 1.090 20 30 BDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000313331976 490296645 /nfs/dbraw/zinc/29/66/45/490296645.db2.gz ZFEREXUVIXROQS-UHFFFAOYSA-N 1 2 245.273 1.090 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@H]([NH+]2CC(C#N)C2)CC1 ZINC001172780920 974939498 /nfs/dbraw/zinc/93/94/98/974939498.db2.gz GSBAUGGVKPUJFG-NEPJUHHUSA-N 1 2 236.315 1.564 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnc(OC)n1 ZINC000295457226 535725619 /nfs/dbraw/zinc/72/56/19/535725619.db2.gz QPGOJWXPHDGAJV-VIFPVBQESA-N 1 2 220.276 1.267 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000373797318 534442184 /nfs/dbraw/zinc/44/21/84/534442184.db2.gz NRSGWWBGGFMFJU-GHMZBOCLSA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000373797318 534442188 /nfs/dbraw/zinc/44/21/88/534442188.db2.gz NRSGWWBGGFMFJU-GHMZBOCLSA-N 1 2 231.723 1.619 20 30 BDEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000367475701 534752052 /nfs/dbraw/zinc/75/20/52/534752052.db2.gz DKFDGYUHGCCYAK-NXEZZACHSA-N 1 2 246.301 1.845 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@H](C)CC 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ZINC000491066499 527247687 /nfs/dbraw/zinc/24/76/87/527247687.db2.gz CPRMUOXWDNXENW-FGEFZZPRSA-N 1 2 217.272 1.341 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000491734042 527311382 /nfs/dbraw/zinc/31/13/82/527311382.db2.gz BCOGTPQJUHSCLL-KGLIPLIRSA-N 1 2 249.354 1.812 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000491734042 527311386 /nfs/dbraw/zinc/31/13/86/527311386.db2.gz BCOGTPQJUHSCLL-KGLIPLIRSA-N 1 2 249.354 1.812 20 30 BDEDLO CC[N@@H+](Cc1ccnc(C)n1)C[C@@H](C)C#N ZINC000507584535 528856609 /nfs/dbraw/zinc/85/66/09/528856609.db2.gz RMQINYJPHQVLIP-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO CC[N@H+](Cc1ccnc(C)n1)C[C@@H](C)C#N ZINC000507584535 528856612 /nfs/dbraw/zinc/85/66/12/528856612.db2.gz RMQINYJPHQVLIP-JTQLQIEISA-N 1 2 218.304 1.767 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000360410379 534999943 /nfs/dbraw/zinc/99/99/43/534999943.db2.gz GZLYGFWQMKDPET-UHFFFAOYSA-N 1 2 248.330 1.788 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000360410379 534999945 /nfs/dbraw/zinc/99/99/45/534999945.db2.gz GZLYGFWQMKDPET-UHFFFAOYSA-N 1 2 248.330 1.788 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000360423325 535000766 /nfs/dbraw/zinc/00/07/66/535000766.db2.gz IGNSNCCVTFBXSX-UHFFFAOYSA-N 1 2 248.330 1.788 20 30 BDEDLO CCN(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329745235 535651196 /nfs/dbraw/zinc/65/11/96/535651196.db2.gz RCKGSKXTVXVAAH-VIFPVBQESA-N 1 2 248.330 1.665 20 30 BDEDLO CCN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329745235 535651201 /nfs/dbraw/zinc/65/12/01/535651201.db2.gz RCKGSKXTVXVAAH-VIFPVBQESA-N 1 2 248.330 1.665 20 30 BDEDLO CC[C@@H](NC(=O)CCCC#N)c1[nH]cc[nH+]1 ZINC000360654929 535784713 /nfs/dbraw/zinc/78/47/13/535784713.db2.gz WPSIHZWQHSOICU-SECBINFHSA-N 1 2 220.276 1.671 20 30 BDEDLO CC[C@H](C)[C@@H]([NH2+]CCCC#N)C(=O)OC ZINC000336756606 535870662 /nfs/dbraw/zinc/87/06/62/535870662.db2.gz IUEGILKWIQOUMS-VHSXEESVSA-N 1 2 212.293 1.467 20 30 BDEDLO COC(=O)[C@H](C1CC1)[NH+]1CCC(C#N)CC1 ZINC000359604010 536643813 /nfs/dbraw/zinc/64/38/13/536643813.db2.gz CRSLKCAGDFIYPF-NSHDSACASA-N 1 2 222.288 1.174 20 30 BDEDLO C=CC[C@@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC000893162235 583059866 /nfs/dbraw/zinc/05/98/66/583059866.db2.gz JAQPBHFFFWCBEK-NSHDSACASA-N 1 2 235.331 1.950 20 30 BDEDLO CN(C)c1cc(NCC2(CC#N)CC2)[nH+]cn1 ZINC000893647840 583186655 /nfs/dbraw/zinc/18/66/55/583186655.db2.gz AIYFKCDJXBECJC-UHFFFAOYSA-N 1 2 231.303 1.648 20 30 BDEDLO CN(C)c1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000893647840 583186658 /nfs/dbraw/zinc/18/66/58/583186658.db2.gz AIYFKCDJXBECJC-UHFFFAOYSA-N 1 2 231.303 1.648 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000893922450 583248444 /nfs/dbraw/zinc/24/84/44/583248444.db2.gz DSWPWNFEZDJNQN-DTWKUNHWSA-N 1 2 246.257 1.276 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000893922450 583248445 /nfs/dbraw/zinc/24/84/45/583248445.db2.gz DSWPWNFEZDJNQN-DTWKUNHWSA-N 1 2 246.257 1.276 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1c[nH]cn1 ZINC000853371893 588738578 /nfs/dbraw/zinc/73/85/78/588738578.db2.gz DUQQOXHUQLGVDA-UHFFFAOYSA-N 1 2 232.291 1.010 20 30 BDEDLO COCCCON=Cc1c[nH+]c2n1CCC2 ZINC000853346279 588736070 /nfs/dbraw/zinc/73/60/70/588736070.db2.gz WBNJGIARAGFSHM-UHFFFAOYSA-N 1 2 223.276 1.216 20 30 BDEDLO C(=NNCC1CCCC1)c1c[nH+]c2n1CCC2 ZINC000853346153 588736098 /nfs/dbraw/zinc/73/60/98/588736098.db2.gz RPFKWQVGEFYIDG-UHFFFAOYSA-N 1 2 232.331 1.943 20 30 BDEDLO C[C@H](NN=Cc1c[nH+]c2n1CCC2)C(F)(F)F ZINC000853353731 588737233 /nfs/dbraw/zinc/73/72/33/588737233.db2.gz KOPMRUBFARSFKX-ZETCQYMHSA-N 1 2 246.236 1.704 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@H]2CCOC2(C)C)n1C ZINC000853356458 588737755 /nfs/dbraw/zinc/73/77/55/588737755.db2.gz UFSNTOBCMWLUHT-NSHDSACASA-N 1 2 236.319 1.220 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN1CCCC[C@@H]1C ZINC000853379369 588739267 /nfs/dbraw/zinc/73/92/67/588739267.db2.gz HUBOLKBPGLXTLN-VIFPVBQESA-N 1 2 206.293 1.926 20 30 BDEDLO C[C@@H]1CCCCN1N=Cc1c[nH+]cn1C ZINC000853379728 588739491 /nfs/dbraw/zinc/73/94/91/588739491.db2.gz MDLWEEAQKSBPPK-SNVBAGLBSA-N 1 2 206.293 1.628 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@H](C(C)C)C1=O ZINC000853509491 588746567 /nfs/dbraw/zinc/74/65/67/588746567.db2.gz WVIRDCVROLFBAF-NWDGAFQWSA-N 1 2 222.332 1.402 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@H](C(C)C)C1=O ZINC000853509491 588746568 /nfs/dbraw/zinc/74/65/68/588746568.db2.gz WVIRDCVROLFBAF-NWDGAFQWSA-N 1 2 222.332 1.402 20 30 BDEDLO C=CC[N@H+](CN1C[C@H](C)CC1=O)[C@@H](C)COC ZINC000853533905 588747772 /nfs/dbraw/zinc/74/77/72/588747772.db2.gz DCSUUFZFLBCABE-NEPJUHHUSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@@H+](CN1C[C@H](C)CC1=O)[C@@H](C)COC ZINC000853533905 588747773 /nfs/dbraw/zinc/74/77/73/588747773.db2.gz DCSUUFZFLBCABE-NEPJUHHUSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@H+](CN1CCSC1=O)[C@H](C)COC ZINC000853532287 588747779 /nfs/dbraw/zinc/74/77/79/588747779.db2.gz CORFWTBZXTWULY-SNVBAGLBSA-N 1 2 244.360 1.636 20 30 BDEDLO C=CC[N@@H+](CN1CCSC1=O)[C@H](C)COC ZINC000853532287 588747780 /nfs/dbraw/zinc/74/77/80/588747780.db2.gz CORFWTBZXTWULY-SNVBAGLBSA-N 1 2 244.360 1.636 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cn1cc(Cl)cn1 ZINC000853620217 588750419 /nfs/dbraw/zinc/75/04/19/588750419.db2.gz VAPGLRYKFDOTEQ-UHFFFAOYSA-N 1 2 241.722 1.466 20 30 BDEDLO C#CCC[N@H+](CCOC)Cn1cc(Cl)cn1 ZINC000853620217 588750420 /nfs/dbraw/zinc/75/04/20/588750420.db2.gz VAPGLRYKFDOTEQ-UHFFFAOYSA-N 1 2 241.722 1.466 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCC1(CC#N)CC1 ZINC000853673216 588754494 /nfs/dbraw/zinc/75/44/94/588754494.db2.gz CAIOPECXIRFLDZ-MRVPVSSYSA-N 1 2 211.265 1.214 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000853698039 588757688 /nfs/dbraw/zinc/75/76/88/588757688.db2.gz LQOAZNFNOYIBPM-ZETCQYMHSA-N 1 2 204.657 1.416 20 30 BDEDLO C=CCCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853741893 588760936 /nfs/dbraw/zinc/76/09/36/588760936.db2.gz RKOOAZHLAMEHLD-UHFFFAOYSA-N 1 2 242.319 1.647 20 30 BDEDLO COc1cc[nH+]cc1CON=C[C@H]1CCCO1 ZINC000853751136 588761329 /nfs/dbraw/zinc/76/13/29/588761329.db2.gz DLGLDCBXXWNRDU-LLVKDONJSA-N 1 2 236.271 1.772 20 30 BDEDLO C#C[C@@H](CC)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854079021 588774115 /nfs/dbraw/zinc/77/41/15/588774115.db2.gz UHBXJBAHEQSQNN-UWVGGRQHSA-N 1 2 232.287 1.039 20 30 BDEDLO C=CCN(CC=C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854140005 588776699 /nfs/dbraw/zinc/77/66/99/588776699.db2.gz VEKGUPLXGLGLHE-UHFFFAOYSA-N 1 2 205.261 1.153 20 30 BDEDLO C=C[C@H](C)ONC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000854219665 588780000 /nfs/dbraw/zinc/78/00/00/588780000.db2.gz SRFVOLDBHBVEFN-DTWKUNHWSA-N 1 2 238.291 1.286 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000854699299 588803053 /nfs/dbraw/zinc/80/30/53/588803053.db2.gz USDIMNHTIMCCKH-AWEZNQCLSA-N 1 2 241.294 1.866 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854705522 588803925 /nfs/dbraw/zinc/80/39/25/588803925.db2.gz KRTJEGDJJUJKDZ-YGRLFVJLSA-N 1 2 245.326 1.433 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854705522 588803926 /nfs/dbraw/zinc/80/39/26/588803926.db2.gz KRTJEGDJJUJKDZ-YGRLFVJLSA-N 1 2 245.326 1.433 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000855027012 588821022 /nfs/dbraw/zinc/82/10/22/588821022.db2.gz VYLSBOTVDFNPNJ-DTWKUNHWSA-N 1 2 235.287 1.137 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000855027012 588821023 /nfs/dbraw/zinc/82/10/23/588821023.db2.gz VYLSBOTVDFNPNJ-DTWKUNHWSA-N 1 2 235.287 1.137 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C#CC(C)(C)C ZINC000855134846 588822600 /nfs/dbraw/zinc/82/26/00/588822600.db2.gz BAQFSFZVRSHMJL-UHFFFAOYSA-N 1 2 219.288 1.418 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C#CC(C)(C)C ZINC000855134846 588822601 /nfs/dbraw/zinc/82/26/01/588822601.db2.gz BAQFSFZVRSHMJL-UHFFFAOYSA-N 1 2 219.288 1.418 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000890551203 582472684 /nfs/dbraw/zinc/47/26/84/582472684.db2.gz XURQNQZAUXULSA-PWSUYJOCSA-N 1 2 233.315 1.765 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000890551203 582472686 /nfs/dbraw/zinc/47/26/86/582472686.db2.gz XURQNQZAUXULSA-PWSUYJOCSA-N 1 2 233.315 1.765 20 30 BDEDLO C#CCON=Cc1c[nH+]c2ccc(C)cn12 ZINC000812236400 582497506 /nfs/dbraw/zinc/49/75/06/582497506.db2.gz OADZAIHVZWBZSD-UHFFFAOYSA-N 1 2 213.240 1.626 20 30 BDEDLO Nc1ccc(CN=Nc2cncc(Cl)n2)c[nH+]1 ZINC000807963272 582609906 /nfs/dbraw/zinc/60/99/06/582609906.db2.gz ZWHLQOWAMPIIRY-UHFFFAOYSA-N 1 2 248.677 1.553 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000891266871 582646440 /nfs/dbraw/zinc/64/64/40/582646440.db2.gz IVJRIYIAFLXHRW-RKDXNWHRSA-N 1 2 219.288 1.594 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000891266871 582646442 /nfs/dbraw/zinc/64/64/42/582646442.db2.gz IVJRIYIAFLXHRW-RKDXNWHRSA-N 1 2 219.288 1.594 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H]1C[C@]1(C)Br ZINC000892058879 582779030 /nfs/dbraw/zinc/77/90/30/582779030.db2.gz LSZCNULVAHHBMX-QWRGUYRKSA-N 1 2 240.144 1.728 20 30 BDEDLO C#C[C@H]1CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000848750308 582812048 /nfs/dbraw/zinc/81/20/48/582812048.db2.gz VHBQCIQPLKFILT-NSHDSACASA-N 1 2 231.299 1.643 20 30 BDEDLO C#C[C@@H]1CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000848750300 582812308 /nfs/dbraw/zinc/81/23/08/582812308.db2.gz VHBQCIQPLKFILT-LLVKDONJSA-N 1 2 231.299 1.643 20 30 BDEDLO Cn1cnc(CCC/[NH+]=C/c2ccccc2O)n1 ZINC000843267028 582945508 /nfs/dbraw/zinc/94/55/08/582945508.db2.gz SJLWDBPMHYZKGP-NTEUORMPSA-N 1 2 244.298 1.572 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856282199 588867181 /nfs/dbraw/zinc/86/71/81/588867181.db2.gz VVLPNMDYNIXFSD-MRVPVSSYSA-N 1 2 243.257 1.809 20 30 BDEDLO C=CCN(c1nccn2c[nH+]cc12)C1CC1 ZINC000893095391 583048256 /nfs/dbraw/zinc/04/82/56/583048256.db2.gz KEQNNBOHYPMUHP-UHFFFAOYSA-N 1 2 214.272 1.884 20 30 BDEDLO C#CC[N@@H+](Cc1nccnc1C)C1CC1 ZINC000857039565 588883438 /nfs/dbraw/zinc/88/34/38/588883438.db2.gz OFDKHNDWKKOKCJ-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CC[N@H+](Cc1nccnc1C)C1CC1 ZINC000857039565 588883440 /nfs/dbraw/zinc/88/34/40/588883440.db2.gz OFDKHNDWKKOKCJ-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(C)nc1Cl ZINC000857040784 588883700 /nfs/dbraw/zinc/88/37/00/588883700.db2.gz ZFORTEBBHMEDIN-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857040784 588883702 /nfs/dbraw/zinc/88/37/02/588883702.db2.gz ZFORTEBBHMEDIN-MRVPVSSYSA-N 1 2 211.696 1.527 20 30 BDEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)on1 ZINC000857210732 588893641 /nfs/dbraw/zinc/89/36/41/588893641.db2.gz BFAWYVJUUHCDLZ-UHFFFAOYSA-N 1 2 233.275 1.193 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000878094461 583361241 /nfs/dbraw/zinc/36/12/41/583361241.db2.gz PABLYXAPWUATHR-SDDRHHMPSA-N 1 2 241.331 1.603 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000878094461 583361245 /nfs/dbraw/zinc/36/12/45/583361245.db2.gz PABLYXAPWUATHR-SDDRHHMPSA-N 1 2 241.331 1.603 20 30 BDEDLO C#CC[C@H]1CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000894349228 583432859 /nfs/dbraw/zinc/43/28/59/583432859.db2.gz JSACNPXGDBTZKU-NSHDSACASA-N 1 2 230.315 1.758 20 30 BDEDLO C#CC[C@H]1CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000894349228 583432863 /nfs/dbraw/zinc/43/28/63/583432863.db2.gz JSACNPXGDBTZKU-NSHDSACASA-N 1 2 230.315 1.758 20 30 BDEDLO C#CC1CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000894355828 583434651 /nfs/dbraw/zinc/43/46/51/583434651.db2.gz HQNBTVGAHOOLLZ-UHFFFAOYSA-N 1 2 216.288 1.368 20 30 BDEDLO C#CC1CCN(c2cc(NC)nc[nH+]2)CC1 ZINC000894355828 583434652 /nfs/dbraw/zinc/43/46/52/583434652.db2.gz HQNBTVGAHOOLLZ-UHFFFAOYSA-N 1 2 216.288 1.368 20 30 BDEDLO C=C(CC)C[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000879948478 583451274 /nfs/dbraw/zinc/45/12/74/583451274.db2.gz KPVYARKOCSUQJT-HNNXBMFYSA-N 1 2 231.365 1.162 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(NC)[nH+]cn1 ZINC000894829594 583527281 /nfs/dbraw/zinc/52/72/81/583527281.db2.gz AQTVLOBQPORTLT-JTQLQIEISA-N 1 2 234.303 1.359 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc(NC)nc[nH+]1 ZINC000894829594 583527283 /nfs/dbraw/zinc/52/72/83/583527283.db2.gz AQTVLOBQPORTLT-JTQLQIEISA-N 1 2 234.303 1.359 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC=C[C@@H]2CO)c1F ZINC000880488461 583544539 /nfs/dbraw/zinc/54/45/39/583544539.db2.gz FXFBWVSXEKRHFL-GFCCVEGCSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC=C[C@@H]2CO)c1F ZINC000880488461 583544540 /nfs/dbraw/zinc/54/45/40/583544540.db2.gz FXFBWVSXEKRHFL-GFCCVEGCSA-N 1 2 232.258 1.430 20 30 BDEDLO Cc1ncoc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000895335882 583652779 /nfs/dbraw/zinc/65/27/79/583652779.db2.gz PWUHOYAODASDTH-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO Cc1ncoc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000895335882 583652780 /nfs/dbraw/zinc/65/27/80/583652780.db2.gz PWUHOYAODASDTH-NSHDSACASA-N 1 2 205.261 1.719 20 30 BDEDLO N#CCC1C[NH+](Cc2cn3ccnc3s2)C1 ZINC000895344594 583654941 /nfs/dbraw/zinc/65/49/41/583654941.db2.gz RUPSYQIGVGHIFB-UHFFFAOYSA-N 1 2 232.312 1.741 20 30 BDEDLO Cn1nc2c(c1C[NH+]1CC(CC#N)C1)CCC2 ZINC000895344569 583655000 /nfs/dbraw/zinc/65/50/00/583655000.db2.gz QTUJMRCWGYYNHQ-UHFFFAOYSA-N 1 2 230.315 1.254 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OCC ZINC000895597758 583695206 /nfs/dbraw/zinc/69/52/06/583695206.db2.gz KXLTWXQCWTWSIM-VXGBXAGGSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CC1(F)CN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000895615390 583695822 /nfs/dbraw/zinc/69/58/22/583695822.db2.gz CNQYSTOCDLATDP-UHFFFAOYSA-N 1 2 243.285 1.800 20 30 BDEDLO C#CC1(F)CN(CCCc2c[nH+]ccc2C)C1 ZINC000895615957 583696534 /nfs/dbraw/zinc/69/65/34/583696534.db2.gz MDVDNWUIQNJKPH-UHFFFAOYSA-N 1 2 232.302 1.980 20 30 BDEDLO N#C[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000895649286 583699371 /nfs/dbraw/zinc/69/93/71/583699371.db2.gz KYDIZOXMHYZAPJ-JTQLQIEISA-N 1 2 227.271 1.469 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000895671854 583706882 /nfs/dbraw/zinc/70/68/82/583706882.db2.gz YYAWNFVYGHMFBU-UHFFFAOYSA-N 1 2 233.315 1.068 20 30 BDEDLO C=CCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857948521 588924926 /nfs/dbraw/zinc/92/49/26/588924926.db2.gz LRSSTSASQFAZJU-LLVKDONJSA-N 1 2 233.315 1.670 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000895833620 583735513 /nfs/dbraw/zinc/73/55/13/583735513.db2.gz ASASLANACBWPMW-UHFFFAOYSA-N 1 2 235.331 1.621 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977752 588926759 /nfs/dbraw/zinc/92/67/59/588926759.db2.gz GWTOCNCRDDECTH-MRVPVSSYSA-N 1 2 241.241 1.656 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978615 588926791 /nfs/dbraw/zinc/92/67/91/588926791.db2.gz PBZOWNSQCABROC-JTQLQIEISA-N 1 2 231.299 1.494 20 30 BDEDLO C#CCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999160 588930631 /nfs/dbraw/zinc/93/06/31/588930631.db2.gz QPVLZGLIAXNOKF-UHFFFAOYSA-N 1 2 243.310 1.952 20 30 BDEDLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896494016 583806477 /nfs/dbraw/zinc/80/64/77/583806477.db2.gz FWPCWEBMWIZING-MRVPVSSYSA-N 1 2 236.300 1.047 20 30 BDEDLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896494016 583806478 /nfs/dbraw/zinc/80/64/78/583806478.db2.gz FWPCWEBMWIZING-MRVPVSSYSA-N 1 2 236.300 1.047 20 30 BDEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H](C#N)C1)CCC2 ZINC000896500752 583806978 /nfs/dbraw/zinc/80/69/78/583806978.db2.gz JYDKACIUAIEMDP-NSHDSACASA-N 1 2 244.342 1.644 20 30 BDEDLO Cn1nc2c(c1C[N@H+]1CCC[C@@H](C#N)C1)CCC2 ZINC000896500752 583806979 /nfs/dbraw/zinc/80/69/79/583806979.db2.gz JYDKACIUAIEMDP-NSHDSACASA-N 1 2 244.342 1.644 20 30 BDEDLO C#CC1(O)CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000896767667 583832255 /nfs/dbraw/zinc/83/22/55/583832255.db2.gz GHRLJKYCOYCCCT-UHFFFAOYSA-N 1 2 245.326 1.565 20 30 BDEDLO C#CCC(CC#C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911131 583853109 /nfs/dbraw/zinc/85/31/09/583853109.db2.gz JQEZPBYFVJZWOV-UHFFFAOYSA-N 1 2 243.310 1.306 20 30 BDEDLO C=CCCCC[C@H](C)[NH2+]CC(=O)NOC ZINC000896925083 583857510 /nfs/dbraw/zinc/85/75/10/583857510.db2.gz TUFAGIHDLCUTJS-JTQLQIEISA-N 1 2 214.309 1.389 20 30 BDEDLO C=CCCCC[C@@H](C)[NH2+]CC(=O)NOC ZINC000896925084 583858094 /nfs/dbraw/zinc/85/80/94/583858094.db2.gz TUFAGIHDLCUTJS-SNVBAGLBSA-N 1 2 214.309 1.389 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000897169026 583888433 /nfs/dbraw/zinc/88/84/33/583888433.db2.gz KHBCCRFKAYTRQX-UHFFFAOYSA-N 1 2 230.267 1.989 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000897169026 583888435 /nfs/dbraw/zinc/88/84/35/583888435.db2.gz KHBCCRFKAYTRQX-UHFFFAOYSA-N 1 2 230.267 1.989 20 30 BDEDLO Cc1cc(NC2CC(CCO)C2)c(C#N)c[nH+]1 ZINC000897233650 583899198 /nfs/dbraw/zinc/89/91/98/583899198.db2.gz YGXVGULCSDNQKA-UHFFFAOYSA-N 1 2 231.299 1.257 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)NCC(C)(C)C#N)c[nH+]1 ZINC000897356369 583934497 /nfs/dbraw/zinc/93/44/97/583934497.db2.gz SUWNOMUQHOBBOH-UHFFFAOYSA-N 1 2 248.330 1.593 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000862572227 583964547 /nfs/dbraw/zinc/96/45/47/583964547.db2.gz BSUGBLIYABZSDL-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000862572227 583964549 /nfs/dbraw/zinc/96/45/49/583964549.db2.gz BSUGBLIYABZSDL-NSHDSACASA-N 1 2 231.299 1.214 20 30 BDEDLO CCNN=Cc1ccc(C=[NH+]NCC)cc1 ZINC000866601907 584120722 /nfs/dbraw/zinc/12/07/22/584120722.db2.gz UJEFRVAJCQNEES-UHFFFAOYSA-N 1 2 218.304 1.573 20 30 BDEDLO C=C1C[NH+](CCC(=O)Nc2cc(C)on2)C1 ZINC000899900084 584248715 /nfs/dbraw/zinc/24/87/15/584248715.db2.gz IFZJMCWEMACOTH-UHFFFAOYSA-N 1 2 221.260 1.183 20 30 BDEDLO C=C1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000899900146 584248933 /nfs/dbraw/zinc/24/89/33/584248933.db2.gz JMKCELVMJIYMDE-GFCCVEGCSA-N 1 2 207.248 1.731 20 30 BDEDLO C=C1C[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000899900739 584249420 /nfs/dbraw/zinc/24/94/20/584249420.db2.gz SXTFNOMGNJSLEY-LBPRGKRZSA-N 1 2 207.248 1.731 20 30 BDEDLO C#C[C@@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000858616146 588971500 /nfs/dbraw/zinc/97/15/00/588971500.db2.gz ZKMOBIGUWJWBHC-LLVKDONJSA-N 1 2 216.284 1.940 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2nccc(OC)n2)c1 ZINC000901167286 584394593 /nfs/dbraw/zinc/39/45/93/584394593.db2.gz LQEDSEDVLINTSS-UHFFFAOYSA-N 1 2 246.274 1.148 20 30 BDEDLO CC(=[NH+]NC1CCSCC1)c1c[nH]c(N)n1 ZINC000901276974 584413129 /nfs/dbraw/zinc/41/31/29/584413129.db2.gz ZXYUIAGHCUCRSQ-UHFFFAOYSA-N 1 2 239.348 1.201 20 30 BDEDLO CCn1cnc(C=NNCCCn2cc[nH+]c2)c1 ZINC000901261442 584417307 /nfs/dbraw/zinc/41/73/07/584417307.db2.gz IKXXGYXARZXUFM-UHFFFAOYSA-N 1 2 246.318 1.113 20 30 BDEDLO C[C@@H]1C[C@@H](NN=Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000901305809 584419879 /nfs/dbraw/zinc/41/98/79/584419879.db2.gz FRTKWHFLLRCTQW-JGPRNRPPSA-N 1 2 236.319 1.300 20 30 BDEDLO C(=[NH+]n1nnc2c1CCCC2)[C@H]1CCCOCC1 ZINC000901328391 584424043 /nfs/dbraw/zinc/42/40/43/584424043.db2.gz ATXULLGYBSYWMH-NSHDSACASA-N 1 2 248.330 1.808 20 30 BDEDLO CCn1cc(C(=O)/C=C\c2c[nH+]cn2C)cn1 ZINC000901464721 584451270 /nfs/dbraw/zinc/45/12/70/584451270.db2.gz MFRGLCAGPRZJJY-PLNGDYQASA-N 1 2 230.271 1.533 20 30 BDEDLO Cn1nncc1C(=O)/C=C\c1cn(C2CC2)c[nH+]1 ZINC000901510843 584457084 /nfs/dbraw/zinc/45/70/84/584457084.db2.gz JSLVXCYEAYRBFC-DJWKRKHSSA-N 1 2 243.270 1.243 20 30 BDEDLO Cn1c[nH+]cc1/C=C/C(=O)c1cc2n(n1)CCC2 ZINC000901560399 584462940 /nfs/dbraw/zinc/46/29/40/584462940.db2.gz JXVMFANYHUPNNH-SNAWJCMRSA-N 1 2 242.282 1.459 20 30 BDEDLO Cc1[nH]nc(NCc2[nH+]ccn2C2CC2)c1C#N ZINC000902590655 584635949 /nfs/dbraw/zinc/63/59/49/584635949.db2.gz ZTCFDKOPNFFXEJ-UHFFFAOYSA-N 1 2 242.286 1.733 20 30 BDEDLO C[C@H](C#N)OCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781237 584670246 /nfs/dbraw/zinc/67/02/46/584670246.db2.gz KQBKQBYYXRBISM-SNVBAGLBSA-N 1 2 245.282 1.881 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000801940236 584721601 /nfs/dbraw/zinc/72/16/01/584721601.db2.gz LADRBNQSDPBZRR-WDEREUQCSA-N 1 2 234.303 1.475 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000801940236 584721603 /nfs/dbraw/zinc/72/16/03/584721603.db2.gz LADRBNQSDPBZRR-WDEREUQCSA-N 1 2 234.303 1.475 20 30 BDEDLO N#CC1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000903106454 584728581 /nfs/dbraw/zinc/72/85/81/584728581.db2.gz QPGIHNDIZOCKQL-SNVBAGLBSA-N 1 2 216.288 1.680 20 30 BDEDLO N#CC1(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000903106454 584728582 /nfs/dbraw/zinc/72/85/82/584728582.db2.gz QPGIHNDIZOCKQL-SNVBAGLBSA-N 1 2 216.288 1.680 20 30 BDEDLO C[C@@H]1OCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753937024 584911140 /nfs/dbraw/zinc/91/11/40/584911140.db2.gz VHTCOJCZRDSOEG-JMJZKYOTSA-N 1 2 236.319 1.011 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@H](C)C(F)(F)F ZINC000835003533 584917398 /nfs/dbraw/zinc/91/73/98/584917398.db2.gz ZEJNIBKKYWYEPS-ZCFIWIBFSA-N 1 2 220.198 1.592 20 30 BDEDLO Cn1cc[nH+]c1CN=Nc1ccc(F)cn1 ZINC000731318956 584924822 /nfs/dbraw/zinc/92/48/22/584924822.db2.gz PTHBMCZYLSLUQS-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO C#Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000732094905 584933901 /nfs/dbraw/zinc/93/39/01/584933901.db2.gz UGDHHCCXJLQZBI-UHFFFAOYSA-N 1 2 240.266 1.058 20 30 BDEDLO C#CCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732356368 584936086 /nfs/dbraw/zinc/93/60/86/584936086.db2.gz MZHSZUFTXLHHHK-UHFFFAOYSA-N 1 2 228.251 1.362 20 30 BDEDLO CC(C)(C)C#CC(=O)OCCCn1cc[nH+]c1 ZINC000838371621 585055256 /nfs/dbraw/zinc/05/52/56/585055256.db2.gz WNEGTVALYAUACL-UHFFFAOYSA-N 1 2 234.299 1.866 20 30 BDEDLO C#Cc1ccc(C[NH+]2CC(OCCOC)C2)cc1 ZINC000838988494 585084548 /nfs/dbraw/zinc/08/45/48/585084548.db2.gz WXDPJWUGVXIGIV-UHFFFAOYSA-N 1 2 245.322 1.515 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)C(=O)OC ZINC000839167187 585095235 /nfs/dbraw/zinc/09/52/35/585095235.db2.gz COJWQRPIZDSRLZ-TUAOUCFPSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OC ZINC000839168061 585095739 /nfs/dbraw/zinc/09/57/39/585095739.db2.gz JIHSUJSAOPJIDR-LBPRGKRZSA-N 1 2 235.327 1.864 20 30 BDEDLO C#CC[C@@H]([NH2+]C1Cc2ccccc2C1)C(=O)OC ZINC000839170177 585096062 /nfs/dbraw/zinc/09/60/62/585096062.db2.gz YUESJWNGKVQFAJ-CQSZACIVSA-N 1 2 243.306 1.308 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000839169606 585096244 /nfs/dbraw/zinc/09/62/44/585096244.db2.gz UDQKMUCYTOATAF-AGIUHOORSA-N 1 2 237.343 1.967 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc(C)cc1 ZINC000839199801 585099158 /nfs/dbraw/zinc/09/91/58/585099158.db2.gz WLKQLAXTNWYQLO-HNNXBMFYSA-N 1 2 229.323 1.872 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc(C)cc1 ZINC000839199801 585099159 /nfs/dbraw/zinc/09/91/59/585099159.db2.gz WLKQLAXTNWYQLO-HNNXBMFYSA-N 1 2 229.323 1.872 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000839199264 585099415 /nfs/dbraw/zinc/09/94/15/585099415.db2.gz DDICPIKRRNDVCL-HNNXBMFYSA-N 1 2 240.306 1.701 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000839199264 585099416 /nfs/dbraw/zinc/09/94/16/585099416.db2.gz DDICPIKRRNDVCL-HNNXBMFYSA-N 1 2 240.306 1.701 20 30 BDEDLO C=CC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000746621625 585171300 /nfs/dbraw/zinc/17/13/00/585171300.db2.gz VBNWCNCBRPYCPC-UHFFFAOYSA-N 1 2 224.329 1.765 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2cccc(F)n2)o1 ZINC000747936334 585186027 /nfs/dbraw/zinc/18/60/27/585186027.db2.gz UORYQPBTAWRNPD-UHFFFAOYSA-N 1 2 231.230 1.975 20 30 BDEDLO C#C[C@@H](CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000754389946 585283749 /nfs/dbraw/zinc/28/37/49/585283749.db2.gz HDVFXNFNUFGSDQ-JTQLQIEISA-N 1 2 227.267 1.476 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1ccccc1 ZINC000755462183 585300084 /nfs/dbraw/zinc/30/00/84/585300084.db2.gz PIGDSVZEYKLQKY-UHFFFAOYSA-N 1 2 200.245 1.866 20 30 BDEDLO c1cc2c(ncnc2N=NCc2c[nH+]c[nH]2)s1 ZINC000755588465 585302144 /nfs/dbraw/zinc/30/21/44/585302144.db2.gz BUAGZBIFEIEXOY-UHFFFAOYSA-N 1 2 244.283 1.860 20 30 BDEDLO c1cc2c(ncnc2N=NCc2c[nH]c[nH+]2)s1 ZINC000755588465 585302145 /nfs/dbraw/zinc/30/21/45/585302145.db2.gz BUAGZBIFEIEXOY-UHFFFAOYSA-N 1 2 244.283 1.860 20 30 BDEDLO Cn1c[nH+]cc1C=NNCc1cccc(F)c1 ZINC000755648182 585303248 /nfs/dbraw/zinc/30/32/48/585303248.db2.gz GFBJECXFNJMGPU-UHFFFAOYSA-N 1 2 232.262 1.683 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ncccc1Cl ZINC000755657231 585303499 /nfs/dbraw/zinc/30/34/99/585303499.db2.gz ZHYDZEAPMGGBHV-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO CC(=NN=Cc1c[nH+]cn1C)c1cnccn1 ZINC000755753124 585305810 /nfs/dbraw/zinc/30/58/10/585305810.db2.gz BKYNBAQDNQOVCL-UHFFFAOYSA-N 1 2 228.259 1.053 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCc1ccc(C#N)cc1 ZINC000755800837 585307592 /nfs/dbraw/zinc/30/75/92/585307592.db2.gz CVTWYIGERUDIJJ-UHFFFAOYSA-N 1 2 239.282 1.714 20 30 BDEDLO Cc1ccn(C[N@@H+]2CCC(C)(C)C2)c(=O)c1C#N ZINC000758230113 585352391 /nfs/dbraw/zinc/35/23/91/585352391.db2.gz GOAGSFIFTWQLGA-UHFFFAOYSA-N 1 2 245.326 1.718 20 30 BDEDLO Cc1ccn(C[N@H+]2CCC(C)(C)C2)c(=O)c1C#N ZINC000758230113 585352392 /nfs/dbraw/zinc/35/23/92/585352392.db2.gz GOAGSFIFTWQLGA-UHFFFAOYSA-N 1 2 245.326 1.718 20 30 BDEDLO C#CC[NH+]1CCN(c2nc(CC)cs2)CC1 ZINC000760227171 585387084 /nfs/dbraw/zinc/38/70/84/585387084.db2.gz QBOOIHUPOUTBEG-UHFFFAOYSA-N 1 2 235.356 1.461 20 30 BDEDLO C#CCCn1c2ccccc2[nH+]c1NCCO ZINC000760341330 585390848 /nfs/dbraw/zinc/39/08/48/585390848.db2.gz FJVASSHAXTZAKW-UHFFFAOYSA-N 1 2 229.283 1.464 20 30 BDEDLO C#CCCO[NH+]=C(N)COc1ccccc1 ZINC000760347365 585390935 /nfs/dbraw/zinc/39/09/35/585390935.db2.gz PEGZOFNFKOORIN-UHFFFAOYSA-N 1 2 218.256 1.587 20 30 BDEDLO C#CCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000760517615 585393598 /nfs/dbraw/zinc/39/35/98/585393598.db2.gz PRQRXYSLQFKFNH-JTQLQIEISA-N 1 2 219.288 1.781 20 30 BDEDLO C#CCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000760843798 585399448 /nfs/dbraw/zinc/39/94/48/585399448.db2.gz PISMZUOHQIEHLM-DTWKUNHWSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000760843798 585399449 /nfs/dbraw/zinc/39/94/49/585399449.db2.gz PISMZUOHQIEHLM-DTWKUNHWSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1scnc1C ZINC000761539840 585416927 /nfs/dbraw/zinc/41/69/27/585416927.db2.gz DUPVNRUPWMJQHZ-JTQLQIEISA-N 1 2 249.339 1.488 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1scnc1C ZINC000761539840 585416928 /nfs/dbraw/zinc/41/69/28/585416928.db2.gz DUPVNRUPWMJQHZ-JTQLQIEISA-N 1 2 249.339 1.488 20 30 BDEDLO CCn1nc(C)c(C=NNc2[nH+]ccn2C)c1C ZINC000790306455 585417874 /nfs/dbraw/zinc/41/78/74/585417874.db2.gz YUUARROBPGJCSP-UHFFFAOYSA-N 1 2 246.318 1.699 20 30 BDEDLO C#CCCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000762412606 585431763 /nfs/dbraw/zinc/43/17/63/585431763.db2.gz YUFPGPMNYAGSOJ-UHFFFAOYSA-N 1 2 244.298 1.740 20 30 BDEDLO CC#CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000764287685 585463330 /nfs/dbraw/zinc/46/33/30/585463330.db2.gz KSWHKAQYSNQRHT-UHFFFAOYSA-N 1 2 243.310 1.190 20 30 BDEDLO Nc1ncccc1C=[NH+]Nc1ccc(F)cn1 ZINC000764688166 585471002 /nfs/dbraw/zinc/47/10/02/585471002.db2.gz YVIHAKNXDQBOJL-UHFFFAOYSA-N 1 2 231.234 1.644 20 30 BDEDLO CC#CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000764934404 585477569 /nfs/dbraw/zinc/47/75/69/585477569.db2.gz FMJWLJVYPRIWKU-UHFFFAOYSA-N 1 2 220.247 1.876 20 30 BDEDLO C[C@H](C#N)CNC(=O)c1cccc2[nH+]ccn21 ZINC000770417432 585574037 /nfs/dbraw/zinc/57/40/37/585574037.db2.gz WPVIDEDZKFHPPG-SECBINFHSA-N 1 2 228.255 1.224 20 30 BDEDLO C=CC[N@H+](CN1C(=O)CC12CCC2)C1CC1 ZINC000771638608 585598090 /nfs/dbraw/zinc/59/80/90/585598090.db2.gz CBZRHIXRSKFUOH-UHFFFAOYSA-N 1 2 220.316 1.749 20 30 BDEDLO C=CC[N@@H+](CN1C(=O)CC12CCC2)C1CC1 ZINC000771638608 585598091 /nfs/dbraw/zinc/59/80/91/585598091.db2.gz CBZRHIXRSKFUOH-UHFFFAOYSA-N 1 2 220.316 1.749 20 30 BDEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NCCC#N ZINC000772255895 585611216 /nfs/dbraw/zinc/61/12/16/585611216.db2.gz NCYTXXJJKUPHSD-NSHDSACASA-N 1 2 246.314 1.104 20 30 BDEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NCCC#N ZINC000772255895 585611217 /nfs/dbraw/zinc/61/12/17/585611217.db2.gz NCYTXXJJKUPHSD-NSHDSACASA-N 1 2 246.314 1.104 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774154726 585652044 /nfs/dbraw/zinc/65/20/44/585652044.db2.gz BGNVZONBSVQQHU-UWVGGRQHSA-N 1 2 210.277 1.316 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774154726 585652045 /nfs/dbraw/zinc/65/20/45/585652045.db2.gz BGNVZONBSVQQHU-UWVGGRQHSA-N 1 2 210.277 1.316 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(CC)o1)[C@H]1CCCO1 ZINC000775783891 585684462 /nfs/dbraw/zinc/68/44/62/585684462.db2.gz FIJXRULXLFNXQO-GARJFASQSA-N 1 2 249.314 1.463 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nc(CC)no1)[C@@H]1CCCO1 ZINC000775791058 585684802 /nfs/dbraw/zinc/68/48/02/585684802.db2.gz RWAOKXQOOPPVJP-VWYCJHECSA-N 1 2 249.314 1.463 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccn(C(C)C)n1)[C@H]1CCCO1 ZINC000775787905 585684959 /nfs/dbraw/zinc/68/49/59/585684959.db2.gz BOFJHEYKUGMWIC-UONOGXRCSA-N 1 2 247.342 1.734 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccc(C)n1)[C@H]1CCCO1 ZINC000775798421 585685147 /nfs/dbraw/zinc/68/51/47/585685147.db2.gz HFGCNXWRSCQEMG-NWDGAFQWSA-N 1 2 231.299 1.055 20 30 BDEDLO N#CC1(NC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC000777046446 585707483 /nfs/dbraw/zinc/70/74/83/585707483.db2.gz AJYTUSMFHDSQFU-UHFFFAOYSA-N 1 2 240.266 1.510 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000777543983 585714763 /nfs/dbraw/zinc/71/47/63/585714763.db2.gz BBCRSGIEXFDWGA-RYUDHWBXSA-N 1 2 222.332 1.853 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000777543983 585714764 /nfs/dbraw/zinc/71/47/64/585714764.db2.gz BBCRSGIEXFDWGA-RYUDHWBXSA-N 1 2 222.332 1.853 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H](C2CC2)CC1=O ZINC000777547621 585714867 /nfs/dbraw/zinc/71/48/67/585714867.db2.gz FWAURGCFXMHNHN-LLVKDONJSA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H](C2CC2)CC1=O ZINC000777547621 585714868 /nfs/dbraw/zinc/71/48/68/585714868.db2.gz FWAURGCFXMHNHN-LLVKDONJSA-N 1 2 208.305 1.320 20 30 BDEDLO C=C(CC)CON=C(N)C[NH+]1CCSCC1 ZINC000780128979 585772908 /nfs/dbraw/zinc/77/29/08/585772908.db2.gz XNRDVCAUMPRZMP-UHFFFAOYSA-N 1 2 243.376 1.500 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@@H]1CCOC(C)(C)C1 ZINC000780247881 585775096 /nfs/dbraw/zinc/77/50/96/585775096.db2.gz VGUYZGHFFCUQPB-SNVBAGLBSA-N 1 2 236.319 1.599 20 30 BDEDLO COc1ccc(N=NCc2[nH+]c[nH]c2C)nc1 ZINC000780270156 585776294 /nfs/dbraw/zinc/77/62/94/585776294.db2.gz DAUSFXDLKLBBFW-UHFFFAOYSA-N 1 2 231.259 1.568 20 30 BDEDLO CC(C)OCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000782314044 585814747 /nfs/dbraw/zinc/81/47/47/585814747.db2.gz QJHSFERMGAWSTK-UHFFFAOYSA-N 1 2 240.278 1.888 20 30 BDEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(C)(C)C#N ZINC000782580603 585820446 /nfs/dbraw/zinc/82/04/46/585820446.db2.gz MVQFDACPNROKRG-SNVBAGLBSA-N 1 2 223.320 1.089 20 30 BDEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(C)(C)C#N ZINC000782580603 585820447 /nfs/dbraw/zinc/82/04/47/585820447.db2.gz MVQFDACPNROKRG-SNVBAGLBSA-N 1 2 223.320 1.089 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782631205 585823486 /nfs/dbraw/zinc/82/34/86/585823486.db2.gz FOJWAFZCSCUTCN-GXTWGEPZSA-N 1 2 246.285 1.512 20 30 BDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782631205 585823487 /nfs/dbraw/zinc/82/34/87/585823487.db2.gz FOJWAFZCSCUTCN-GXTWGEPZSA-N 1 2 246.285 1.512 20 30 BDEDLO C#CCOCC[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000784079992 585848922 /nfs/dbraw/zinc/84/89/22/585848922.db2.gz PLUVPZBVCVOXHE-LBPRGKRZSA-N 1 2 241.331 1.204 20 30 BDEDLO C[C@]1(C#N)CCC[N@H+](CCN2CCOC2=O)C1 ZINC000784449562 585860005 /nfs/dbraw/zinc/86/00/05/585860005.db2.gz FSUKGYMJQRVYGS-GFCCVEGCSA-N 1 2 237.303 1.064 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000784449562 585860006 /nfs/dbraw/zinc/86/00/06/585860006.db2.gz FSUKGYMJQRVYGS-GFCCVEGCSA-N 1 2 237.303 1.064 20 30 BDEDLO COC[C@@H](C#N)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000785319440 585872528 /nfs/dbraw/zinc/87/25/28/585872528.db2.gz GEEOSLFHDMOMEO-SNVBAGLBSA-N 1 2 245.238 1.030 20 30 BDEDLO N#CCCN1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000787273729 585904716 /nfs/dbraw/zinc/90/47/16/585904716.db2.gz XQQJMVSWVTXDHP-UHFFFAOYSA-N 1 2 248.305 1.252 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859279540 589027368 /nfs/dbraw/zinc/02/73/68/589027368.db2.gz BDUCKOSUSYKRBX-UHFFFAOYSA-N 1 2 225.723 1.917 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cncc(F)c1 ZINC000790300551 585962599 /nfs/dbraw/zinc/96/25/99/585962599.db2.gz VMGPTMLCJWLXMY-UHFFFAOYSA-N 1 2 233.250 1.790 20 30 BDEDLO COCC(=NNc1[nH+]ccn1C)c1ccccc1 ZINC000790302734 585963047 /nfs/dbraw/zinc/96/30/47/585963047.db2.gz XYDRFADAFPKWHR-UHFFFAOYSA-N 1 2 244.298 1.883 20 30 BDEDLO COc1cccc(O)c1C=NNc1[nH+]ccn1C ZINC000790302357 585963128 /nfs/dbraw/zinc/96/31/28/585963128.db2.gz QKABFFQRVQLEHN-UHFFFAOYSA-N 1 2 246.270 1.580 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cc(C(N)=O)cs1 ZINC000790301061 585963149 /nfs/dbraw/zinc/96/31/49/585963149.db2.gz AYIGWHZGLMDBSF-UHFFFAOYSA-N 1 2 249.299 1.027 20 30 BDEDLO Cc1cc(C)c(C=NNc2[nH+]ccn2C)[nH]1 ZINC000790303635 585963452 /nfs/dbraw/zinc/96/34/52/585963452.db2.gz WEQNJTSHFYAFNT-UHFFFAOYSA-N 1 2 217.276 1.811 20 30 BDEDLO C=C(CO)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000791341523 585977959 /nfs/dbraw/zinc/97/79/59/585977959.db2.gz SBUMBXGNMAGKSU-SNVBAGLBSA-N 1 2 235.287 1.012 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859279540 589027370 /nfs/dbraw/zinc/02/73/70/589027370.db2.gz BDUCKOSUSYKRBX-UHFFFAOYSA-N 1 2 225.723 1.917 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000794494543 586040862 /nfs/dbraw/zinc/04/08/62/586040862.db2.gz VTVBJLCBRJSFPS-UHFFFAOYSA-N 1 2 246.230 1.169 20 30 BDEDLO NC(=[NH+]O[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000794521156 586041474 /nfs/dbraw/zinc/04/14/74/586041474.db2.gz YZIWSXGRAXYHAS-SNVBAGLBSA-N 1 2 240.690 1.766 20 30 BDEDLO c1cn2c(cccc2CN=Nc2cncnc2)[nH+]1 ZINC000794977247 586060742 /nfs/dbraw/zinc/06/07/42/586060742.db2.gz ZERWSKKRRAPGMY-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO C=C(C)CCO[NH+]=C(N)COC(C)C ZINC000795204558 586071676 /nfs/dbraw/zinc/07/16/76/586071676.db2.gz BCYGZLQZVUWXIG-UHFFFAOYSA-N 1 2 200.282 1.876 20 30 BDEDLO C=C(C)CCON=C(N)C[NH+]1CCSCC1 ZINC000795217317 586072405 /nfs/dbraw/zinc/07/24/05/586072405.db2.gz NLDRVVHMSYMZNH-UHFFFAOYSA-N 1 2 243.376 1.500 20 30 BDEDLO N#CCCN(Cc1c[nH+]c[nH]1)Cc1cccnc1 ZINC000796443574 586103529 /nfs/dbraw/zinc/10/35/29/586103529.db2.gz SNJPMZSQJDQGMV-UHFFFAOYSA-N 1 2 241.298 1.721 20 30 BDEDLO N#CCCN(Cc1c[nH]c[nH+]1)Cc1cccnc1 ZINC000796443574 586103530 /nfs/dbraw/zinc/10/35/30/586103530.db2.gz SNJPMZSQJDQGMV-UHFFFAOYSA-N 1 2 241.298 1.721 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000796585158 586107840 /nfs/dbraw/zinc/10/78/40/586107840.db2.gz GTTSOSSJQRQORL-NXEZZACHSA-N 1 2 248.273 1.271 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000796585158 586107841 /nfs/dbraw/zinc/10/78/41/586107841.db2.gz GTTSOSSJQRQORL-NXEZZACHSA-N 1 2 248.273 1.271 20 30 BDEDLO CC(C)(C)CC[NH2+]NC1=CC(=O)N2CCC[C@H]12 ZINC000799485392 586179224 /nfs/dbraw/zinc/17/92/24/586179224.db2.gz ROGOMIXYUMNPKS-LLVKDONJSA-N 1 2 237.347 1.763 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000859372838 589034627 /nfs/dbraw/zinc/03/46/27/589034627.db2.gz FTTTWSONCDQWRG-LLVKDONJSA-N 1 2 245.326 1.282 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000801913181 586276681 /nfs/dbraw/zinc/27/66/81/586276681.db2.gz RJMROHJMQBUYHG-NEPJUHHUSA-N 1 2 248.330 1.518 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000801913181 586276684 /nfs/dbraw/zinc/27/66/84/586276684.db2.gz RJMROHJMQBUYHG-NEPJUHHUSA-N 1 2 248.330 1.518 20 30 BDEDLO Cn1cc[nH+]c1CCCOC(=O)CC(C)(C)C#N ZINC000802783662 586314304 /nfs/dbraw/zinc/31/43/04/586314304.db2.gz BHYOKMHFZPYMFP-UHFFFAOYSA-N 1 2 249.314 1.836 20 30 BDEDLO N#CC1CC[NH+](CN2C[C@H]3CCC[C@H]3C2=O)CC1 ZINC000839978994 586314898 /nfs/dbraw/zinc/31/48/98/586314898.db2.gz JOYIJAXUDYBHKF-CHWSQXEVSA-N 1 2 247.342 1.438 20 30 BDEDLO C[C@@H]1CN(C[NH+]2CCC(C)(C#N)CC2)C(=O)[C@H]1C ZINC000840041780 586393468 /nfs/dbraw/zinc/39/34/68/586393468.db2.gz MBUQMDALRILHCO-NEPJUHHUSA-N 1 2 249.358 1.684 20 30 BDEDLO CC1(C)CCN(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000840041800 586393734 /nfs/dbraw/zinc/39/37/34/586393734.db2.gz MCNMEQXKDHZWML-UHFFFAOYSA-N 1 2 249.358 1.828 20 30 BDEDLO C#CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000806536215 586413963 /nfs/dbraw/zinc/41/39/63/586413963.db2.gz IIASJOVADRLKDF-UHFFFAOYSA-N 1 2 203.245 1.453 20 30 BDEDLO C(=NNc1cc[nH+]c2ccccc12)c1cnccn1 ZINC000807969952 586453984 /nfs/dbraw/zinc/45/39/84/586453984.db2.gz PYRPMDXSYJEFHT-UHFFFAOYSA-N 1 2 249.277 1.893 20 30 BDEDLO COc1ccc(N[NH+]=Cc2ccc(N)nc2)nc1 ZINC000807982993 586455041 /nfs/dbraw/zinc/45/50/41/586455041.db2.gz BSSXHGWTIAMPMM-UHFFFAOYSA-N 1 2 243.270 1.513 20 30 BDEDLO c1c[nH+]c(CN=Nc2nccnc2C2CCC2)[nH]1 ZINC000807994469 586455911 /nfs/dbraw/zinc/45/59/11/586455911.db2.gz SUJJONSHOIMVAY-UHFFFAOYSA-N 1 2 242.286 1.913 20 30 BDEDLO Cc1cc(C[NH2+]Cc2cnn(C)n2)ccc1C#N ZINC000808417261 586471668 /nfs/dbraw/zinc/47/16/68/586471668.db2.gz GOTPHRVFPHWAEV-UHFFFAOYSA-N 1 2 241.298 1.285 20 30 BDEDLO N#CCCNC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000808796877 586490038 /nfs/dbraw/zinc/49/00/38/586490038.db2.gz DPTIDKUYRXDYEK-UHFFFAOYSA-N 1 2 247.298 1.058 20 30 BDEDLO N#CCCNC(=O)C[N@H+]1CCCc2occc2C1 ZINC000808796877 586490040 /nfs/dbraw/zinc/49/00/40/586490040.db2.gz DPTIDKUYRXDYEK-UHFFFAOYSA-N 1 2 247.298 1.058 20 30 BDEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC#N ZINC000809571010 586506959 /nfs/dbraw/zinc/50/69/59/586506959.db2.gz FWPQRAYOUMWFQE-LLVKDONJSA-N 1 2 249.270 1.301 20 30 BDEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC#N ZINC000809571010 586506961 /nfs/dbraw/zinc/50/69/61/586506961.db2.gz FWPQRAYOUMWFQE-LLVKDONJSA-N 1 2 249.270 1.301 20 30 BDEDLO COC[C@H]([NH2+]C[C@H](O)CC#N)c1ccc(C)o1 ZINC000809577818 586508215 /nfs/dbraw/zinc/50/82/15/586508215.db2.gz DYFLJXSAXTUUKV-MNOVXSKESA-N 1 2 238.287 1.140 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccccn1 ZINC000814732043 586631093 /nfs/dbraw/zinc/63/10/93/586631093.db2.gz VFGWTBHJHSAOMR-UHFFFAOYSA-N 1 2 230.275 1.152 20 30 BDEDLO CC(=[NH+]Nc1cnnn1C)c1cc(N)ccc1F ZINC000814981352 586663165 /nfs/dbraw/zinc/66/31/65/586663165.db2.gz DEJCPTOUVDSUKG-UHFFFAOYSA-N 1 2 248.265 1.373 20 30 BDEDLO C=CC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccncc1 ZINC000815124676 586667977 /nfs/dbraw/zinc/66/79/77/586667977.db2.gz HLCKYTJRWLMQOP-CYBMUJFWSA-N 1 2 243.314 1.617 20 30 BDEDLO N#CC1(CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000815920229 586697762 /nfs/dbraw/zinc/69/77/62/586697762.db2.gz CLIAVSUBVXVUSU-JTQLQIEISA-N 1 2 244.298 1.767 20 30 BDEDLO C#CCC(CC#C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816718842 586760090 /nfs/dbraw/zinc/76/00/90/586760090.db2.gz HROZRLFVIOVMPZ-SNVBAGLBSA-N 1 2 229.283 1.250 20 30 BDEDLO C#C[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817163756 586784509 /nfs/dbraw/zinc/78/45/09/586784509.db2.gz AHCUEWJQHCSVBJ-VIFPVBQESA-N 1 2 231.299 1.519 20 30 BDEDLO COc1cccc2c1C[N@H+](CCO[C@@H](C)C#N)C2 ZINC000859939877 589072575 /nfs/dbraw/zinc/07/25/75/589072575.db2.gz SBUDFSQQYYUEOP-NSHDSACASA-N 1 2 246.310 1.939 20 30 BDEDLO COc1cccc2c1C[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000859939877 589072577 /nfs/dbraw/zinc/07/25/77/589072577.db2.gz SBUDFSQQYYUEOP-NSHDSACASA-N 1 2 246.310 1.939 20 30 BDEDLO C#CC(C)(C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000819971367 587009567 /nfs/dbraw/zinc/00/95/67/587009567.db2.gz INIVEHSUQBMYOK-UHFFFAOYSA-N 1 2 219.288 1.043 20 30 BDEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000821962204 587148145 /nfs/dbraw/zinc/14/81/45/587148145.db2.gz XJEGUXLXFJNLOK-GHMZBOCLSA-N 1 2 229.283 1.137 20 30 BDEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000821962204 587148146 /nfs/dbraw/zinc/14/81/46/587148146.db2.gz XJEGUXLXFJNLOK-GHMZBOCLSA-N 1 2 229.283 1.137 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822406038 587166065 /nfs/dbraw/zinc/16/60/65/587166065.db2.gz AOWOGNWNKRBSFT-IVZWLZJFSA-N 1 2 217.272 1.041 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822406038 587166067 /nfs/dbraw/zinc/16/60/67/587166067.db2.gz AOWOGNWNKRBSFT-IVZWLZJFSA-N 1 2 217.272 1.041 20 30 BDEDLO C#C[C@@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)C(C)C ZINC000822666544 587179698 /nfs/dbraw/zinc/17/96/98/587179698.db2.gz JKLPPRJEJRBJPM-LLVKDONJSA-N 1 2 233.315 1.289 20 30 BDEDLO C=CCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823925544 587246179 /nfs/dbraw/zinc/24/61/79/587246179.db2.gz LSVBIFDUFXCNJR-UHFFFAOYSA-N 1 2 216.248 1.168 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C2CC2)cnn1C ZINC000824826236 587289278 /nfs/dbraw/zinc/28/92/78/587289278.db2.gz YBAJMUHNDQDJHD-UHFFFAOYSA-N 1 2 227.311 1.366 20 30 BDEDLO C=CCCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824910246 587293168 /nfs/dbraw/zinc/29/31/68/587293168.db2.gz ODSNLLYESIIXQR-AATRIKPKSA-N 1 2 205.261 1.126 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000825502255 587321817 /nfs/dbraw/zinc/32/18/17/587321817.db2.gz VEZAZAALVLNWRD-ZETCQYMHSA-N 1 2 246.236 1.831 20 30 BDEDLO CCN(C(=O)/C=C/c1cn(C)c[nH+]1)[C@@H](C)C#N ZINC000825635138 587328150 /nfs/dbraw/zinc/32/81/50/587328150.db2.gz LTADEUJXCJZZED-PORFMDCZSA-N 1 2 232.287 1.194 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000825710603 587333579 /nfs/dbraw/zinc/33/35/79/587333579.db2.gz VMXOZEARPFRFNU-SNVBAGLBSA-N 1 2 218.304 1.457 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000825710603 587333580 /nfs/dbraw/zinc/33/35/80/587333580.db2.gz VMXOZEARPFRFNU-SNVBAGLBSA-N 1 2 218.304 1.457 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@H]1C ZINC000826990546 587367426 /nfs/dbraw/zinc/36/74/26/587367426.db2.gz IOWSFNXWRIICGU-NEPJUHHUSA-N 1 2 237.343 1.919 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@H]1C ZINC000826990546 587367427 /nfs/dbraw/zinc/36/74/27/587367427.db2.gz IOWSFNXWRIICGU-NEPJUHHUSA-N 1 2 237.343 1.919 20 30 BDEDLO C=CC[C@@H]1CCN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000827049872 587368941 /nfs/dbraw/zinc/36/89/41/587368941.db2.gz ALOJHZJATSVVPD-FOQNGQEVSA-N 1 2 245.326 1.858 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000827056792 587369494 /nfs/dbraw/zinc/36/94/94/587369494.db2.gz SCVGYCUJBAPPPA-FOQNGQEVSA-N 1 2 243.310 1.305 20 30 BDEDLO C#Cc1cnc(N(C)CCCn2cc[nH+]c2)nc1 ZINC000827778046 587402150 /nfs/dbraw/zinc/40/21/50/587402150.db2.gz LZALEHQWISQHJV-UHFFFAOYSA-N 1 2 241.298 1.181 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000828208533 587424219 /nfs/dbraw/zinc/42/42/19/587424219.db2.gz KVKOEZKXMOQFJB-MRVPVSSYSA-N 1 2 239.706 1.383 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000828208533 587424220 /nfs/dbraw/zinc/42/42/20/587424220.db2.gz KVKOEZKXMOQFJB-MRVPVSSYSA-N 1 2 239.706 1.383 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nn(CC)nc1C ZINC000829244361 587489743 /nfs/dbraw/zinc/48/97/43/587489743.db2.gz WWJOOTZXOTXBMN-UHFFFAOYSA-N 1 2 220.320 1.450 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nn(CC)nc1C ZINC000829244361 587489744 /nfs/dbraw/zinc/48/97/44/587489744.db2.gz WWJOOTZXOTXBMN-UHFFFAOYSA-N 1 2 220.320 1.450 20 30 BDEDLO CC(C)C#CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000830662140 587562729 /nfs/dbraw/zinc/56/27/29/587562729.db2.gz JRTPKYKTJVTJRR-JTQLQIEISA-N 1 2 231.299 1.043 20 30 BDEDLO CC(C)C#CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000830662140 587562730 /nfs/dbraw/zinc/56/27/30/587562730.db2.gz JRTPKYKTJVTJRR-JTQLQIEISA-N 1 2 231.299 1.043 20 30 BDEDLO Cc1cn2c([nH+]1)CN(C(=O)C#CC(C)C)CC2 ZINC000831972901 587641092 /nfs/dbraw/zinc/64/10/92/587641092.db2.gz PCSOWAWILUFOFP-UHFFFAOYSA-N 1 2 231.299 1.193 20 30 BDEDLO Nc1ccc2c([nH+]1)CCCC2=NOCC(F)F ZINC000834969615 587774053 /nfs/dbraw/zinc/77/40/53/587774053.db2.gz TZWADXNKQHFGNG-UHFFFAOYSA-N 1 2 241.241 1.986 20 30 BDEDLO CCOC(=O)C(C)(C)ON=Cc1[nH+]c[nH]c1C ZINC000835004870 587777416 /nfs/dbraw/zinc/77/74/16/587777416.db2.gz DYPNHIMKXZUUNV-UHFFFAOYSA-N 1 2 239.275 1.410 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NN[C@H]1CCOC1(C)C ZINC000835016390 587778553 /nfs/dbraw/zinc/77/85/53/587778553.db2.gz FUMIIWGBQJNYTH-JTQLQIEISA-N 1 2 222.292 1.209 20 30 BDEDLO C=CC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000835348725 587797765 /nfs/dbraw/zinc/79/77/65/587797765.db2.gz AXOOZTRFLQJCML-UHFFFAOYSA-N 1 2 208.261 1.639 20 30 BDEDLO C#CCO[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837101284 587854086 /nfs/dbraw/zinc/85/40/86/587854086.db2.gz RUUTVNUFLFZOKJ-LBPRGKRZSA-N 1 2 246.310 1.353 20 30 BDEDLO C=C(C)CNC(=S)NCCc1cn(C)c[nH+]1 ZINC000840841834 587924609 /nfs/dbraw/zinc/92/46/09/587924609.db2.gz IHMMXRBRJNLWFI-UHFFFAOYSA-N 1 2 238.360 1.003 20 30 BDEDLO C=CCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842659404 588049988 /nfs/dbraw/zinc/04/99/88/588049988.db2.gz COGZULQUPFUZGS-JTQLQIEISA-N 1 2 228.292 1.114 20 30 BDEDLO CC#CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000844129184 588169461 /nfs/dbraw/zinc/16/94/61/588169461.db2.gz KETYLRYLMHNBBE-UHFFFAOYSA-N 1 2 241.294 1.325 20 30 BDEDLO C#CCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844134254 588169606 /nfs/dbraw/zinc/16/96/06/588169606.db2.gz CYBUNZHUKKFPTQ-GFCCVEGCSA-N 1 2 245.326 1.365 20 30 BDEDLO CC[N@H+](CCC#N)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844300075 588182381 /nfs/dbraw/zinc/18/23/81/588182381.db2.gz JPCHNDQLRPXSQR-NSHDSACASA-N 1 2 237.303 1.205 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844300075 588182382 /nfs/dbraw/zinc/18/23/82/588182382.db2.gz JPCHNDQLRPXSQR-NSHDSACASA-N 1 2 237.303 1.205 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844304819 588182761 /nfs/dbraw/zinc/18/27/61/588182761.db2.gz WWNJYVSHFILLBN-ONGXEEELSA-N 1 2 237.303 1.204 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844304819 588182762 /nfs/dbraw/zinc/18/27/62/588182762.db2.gz WWNJYVSHFILLBN-ONGXEEELSA-N 1 2 237.303 1.204 20 30 BDEDLO CC/C(C)=C(/C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844526723 588200611 /nfs/dbraw/zinc/20/06/11/588200611.db2.gz HUORQABYKQITGB-BSYHEUMXSA-N 1 2 237.347 1.693 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccco1 ZINC000844531224 588200950 /nfs/dbraw/zinc/20/09/50/588200950.db2.gz NGSNOACBRNXLMX-FMFIFOJESA-N 1 2 247.298 1.253 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CC12CCCC2 ZINC000844705118 588214148 /nfs/dbraw/zinc/21/41/48/588214148.db2.gz QGRBTRRLPBMCNZ-NSHDSACASA-N 1 2 220.316 1.443 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844705118 588214149 /nfs/dbraw/zinc/21/41/49/588214149.db2.gz QGRBTRRLPBMCNZ-NSHDSACASA-N 1 2 220.316 1.443 20 30 BDEDLO C#CCN(CC)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845274409 588225194 /nfs/dbraw/zinc/22/51/94/588225194.db2.gz GDHPEHCFUVVNBK-UHFFFAOYSA-N 1 2 245.326 1.244 20 30 BDEDLO C[C@@H](CC(=O)OCCCC#N)n1cc[nH+]c1 ZINC000845281566 588225424 /nfs/dbraw/zinc/22/54/24/588225424.db2.gz PMOYEYUFSYUHRY-JTQLQIEISA-N 1 2 221.260 1.681 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000845910633 588250246 /nfs/dbraw/zinc/25/02/46/588250246.db2.gz MKVGIXZAGOCDMC-ZJUUUORDSA-N 1 2 232.287 1.623 20 30 BDEDLO CC(C)(NC(=O)C#CC1CC1)c1[nH]cc[nH+]1 ZINC000846248479 588262873 /nfs/dbraw/zinc/26/28/73/588262873.db2.gz VYNHERHYTRTNSL-UHFFFAOYSA-N 1 2 217.272 1.174 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000846549904 588275273 /nfs/dbraw/zinc/27/52/73/588275273.db2.gz KXHMUUDTYLZVDL-UWVGGRQHSA-N 1 2 235.287 1.068 20 30 BDEDLO CCN1C[C@@H](C[N@H+](CC)C[C@H](C)C#N)OC1=O ZINC000846787319 588288362 /nfs/dbraw/zinc/28/83/62/588288362.db2.gz DTWSIMKLLCYCDB-GHMZBOCLSA-N 1 2 239.319 1.309 20 30 BDEDLO CCN1C[C@@H](C[N@@H+](CC)C[C@H](C)C#N)OC1=O ZINC000846787319 588288363 /nfs/dbraw/zinc/28/83/63/588288363.db2.gz DTWSIMKLLCYCDB-GHMZBOCLSA-N 1 2 239.319 1.309 20 30 BDEDLO C[C@H]1COCCC1=NNCCCn1cc[nH+]c1 ZINC000848417231 588381558 /nfs/dbraw/zinc/38/15/58/588381558.db2.gz QGZSHYAHCXNFIT-NSHDSACASA-N 1 2 236.319 1.275 20 30 BDEDLO COC[C@H](C)CN=NCCCn1cc[nH+]c1 ZINC000848417843 588382000 /nfs/dbraw/zinc/38/20/00/588382000.db2.gz GFQFMHDQZMAWFY-LLVKDONJSA-N 1 2 224.308 1.131 20 30 BDEDLO Cc1ccoc1C=NNCCCn1cc[nH+]c1 ZINC000848418483 588382135 /nfs/dbraw/zinc/38/21/35/588382135.db2.gz OEZGASVBXHQJRA-UHFFFAOYSA-N 1 2 232.287 1.798 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000848494012 588387645 /nfs/dbraw/zinc/38/76/45/588387645.db2.gz SHRVNPCHVRLYNC-SNVBAGLBSA-N 1 2 236.344 1.254 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000848494012 588387646 /nfs/dbraw/zinc/38/76/46/588387646.db2.gz SHRVNPCHVRLYNC-SNVBAGLBSA-N 1 2 236.344 1.254 20 30 BDEDLO C#CC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000848707793 588407217 /nfs/dbraw/zinc/40/72/17/588407217.db2.gz JMWFFPLPZMHTNT-LLVKDONJSA-N 1 2 245.326 1.460 20 30 BDEDLO C#CC[N@@H+](Cc1cnc(Cl)n1C)C1CC1 ZINC000848903087 588418286 /nfs/dbraw/zinc/41/82/86/588418286.db2.gz LPYVYBAXSRSPKE-UHFFFAOYSA-N 1 2 223.707 1.671 20 30 BDEDLO C#CC[N@H+](Cc1cnc(Cl)n1C)C1CC1 ZINC000848903087 588418287 /nfs/dbraw/zinc/41/82/87/588418287.db2.gz LPYVYBAXSRSPKE-UHFFFAOYSA-N 1 2 223.707 1.671 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000109373732 588558275 /nfs/dbraw/zinc/55/82/75/588558275.db2.gz YSTNORLLIZZUTM-AWEZNQCLSA-N 1 2 248.326 1.582 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000109373732 588558276 /nfs/dbraw/zinc/55/82/76/588558276.db2.gz YSTNORLLIZZUTM-AWEZNQCLSA-N 1 2 248.326 1.582 20 30 BDEDLO C=CC[N@@H+](CCc1ccncc1)CC(=O)OCC ZINC000110072225 588610202 /nfs/dbraw/zinc/61/02/02/588610202.db2.gz ZMMQJRPNQHDBBH-UHFFFAOYSA-N 1 2 248.326 1.675 20 30 BDEDLO C=CC[N@H+](CCc1ccncc1)CC(=O)OCC ZINC000110072225 588610203 /nfs/dbraw/zinc/61/02/03/588610203.db2.gz ZMMQJRPNQHDBBH-UHFFFAOYSA-N 1 2 248.326 1.675 20 30 BDEDLO C#CCOCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000851731895 588619394 /nfs/dbraw/zinc/61/93/94/588619394.db2.gz CSVDMCIRLOFAHT-GFCCVEGCSA-N 1 2 249.314 1.555 20 30 BDEDLO C#CCOCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000851731895 588619395 /nfs/dbraw/zinc/61/93/95/588619395.db2.gz CSVDMCIRLOFAHT-GFCCVEGCSA-N 1 2 249.314 1.555 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)c1ccccn1 ZINC000851741291 588621266 /nfs/dbraw/zinc/62/12/66/588621266.db2.gz DAIXIDRJEJFLEE-WCQYABFASA-N 1 2 233.315 1.597 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)c1ccccn1 ZINC000851741291 588621267 /nfs/dbraw/zinc/62/12/67/588621267.db2.gz DAIXIDRJEJFLEE-WCQYABFASA-N 1 2 233.315 1.597 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851808560 588631994 /nfs/dbraw/zinc/63/19/94/588631994.db2.gz ITFQPAQUEBJDJT-ZJUUUORDSA-N 1 2 212.293 1.372 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851808560 588631995 /nfs/dbraw/zinc/63/19/95/588631995.db2.gz ITFQPAQUEBJDJT-ZJUUUORDSA-N 1 2 212.293 1.372 20 30 BDEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851867880 588636662 /nfs/dbraw/zinc/63/66/62/588636662.db2.gz GEMHMFRHTNZQFV-LLVKDONJSA-N 1 2 230.739 1.145 20 30 BDEDLO C#CCOCC[N@@H+]([C@H](C)C(=O)OCC)C1CC1 ZINC000851976569 588650515 /nfs/dbraw/zinc/65/05/15/588650515.db2.gz WPCMESNOZDUSQW-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCOCC[N@H+]([C@H](C)C(=O)OCC)C1CC1 ZINC000851976569 588650516 /nfs/dbraw/zinc/65/05/16/588650516.db2.gz WPCMESNOZDUSQW-LLVKDONJSA-N 1 2 239.315 1.052 20 30 BDEDLO C#CCOCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000852016097 588655199 /nfs/dbraw/zinc/65/51/99/588655199.db2.gz UTKNXFKTOUOZSE-SNVBAGLBSA-N 1 2 217.259 1.756 20 30 BDEDLO C#CCOCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000852016097 588655200 /nfs/dbraw/zinc/65/52/00/588655200.db2.gz UTKNXFKTOUOZSE-SNVBAGLBSA-N 1 2 217.259 1.756 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCC(=O)O1 ZINC000852074717 588659688 /nfs/dbraw/zinc/65/96/88/588659688.db2.gz FDKDMLPNFRZUOT-JTQLQIEISA-N 1 2 208.261 1.094 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCC(=O)O1 ZINC000852074717 588659689 /nfs/dbraw/zinc/65/96/89/588659689.db2.gz FDKDMLPNFRZUOT-JTQLQIEISA-N 1 2 208.261 1.094 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC(OC)OC ZINC000852074410 588659996 /nfs/dbraw/zinc/65/99/96/588659996.db2.gz CBJIHWGEWSVQPN-UHFFFAOYSA-N 1 2 212.293 1.397 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC(OC)OC ZINC000852074410 588659997 /nfs/dbraw/zinc/65/99/97/588659997.db2.gz CBJIHWGEWSVQPN-UHFFFAOYSA-N 1 2 212.293 1.397 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nccc(N)n1 ZINC000852103783 588663579 /nfs/dbraw/zinc/66/35/79/588663579.db2.gz QTJBCHPLIXKUKS-JOYOIKCWSA-N 1 2 218.304 1.511 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C(F)F)no1 ZINC000852104673 588663674 /nfs/dbraw/zinc/66/36/74/588663674.db2.gz LTNBNGIHKYLQON-SNVBAGLBSA-N 1 2 229.230 1.899 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1csnn1 ZINC000852103854 588663775 /nfs/dbraw/zinc/66/37/75/588663775.db2.gz TYVMFYWCWPAQDS-WCBMZHEXSA-N 1 2 209.318 1.991 20 30 BDEDLO CCCCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000852156901 588667997 /nfs/dbraw/zinc/66/79/97/588667997.db2.gz CVAMMTNXBNCLST-LBPRGKRZSA-N 1 2 231.336 1.470 20 30 BDEDLO C#CCOCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000852171166 588669271 /nfs/dbraw/zinc/66/92/71/588669271.db2.gz AFWUMXQHZCPDLV-UHFFFAOYSA-N 1 2 243.306 1.855 20 30 BDEDLO C#CCOCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000852171166 588669272 /nfs/dbraw/zinc/66/92/72/588669272.db2.gz AFWUMXQHZCPDLV-UHFFFAOYSA-N 1 2 243.306 1.855 20 30 BDEDLO C#CC[N@H+](C1CC1)C1(C(=O)OC)CCC1 ZINC000852177244 588669477 /nfs/dbraw/zinc/66/94/77/588669477.db2.gz MMCVCMFDBBUHNE-UHFFFAOYSA-N 1 2 207.273 1.180 20 30 BDEDLO C#CC[N@@H+](C1CC1)C1(C(=O)OC)CCC1 ZINC000852177244 588669478 /nfs/dbraw/zinc/66/94/78/588669478.db2.gz MMCVCMFDBBUHNE-UHFFFAOYSA-N 1 2 207.273 1.180 20 30 BDEDLO CC(C)COC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319321 588677899 /nfs/dbraw/zinc/67/78/99/588677899.db2.gz KDMBROKOAYYDFX-GFCCVEGCSA-N 1 2 238.331 1.811 20 30 BDEDLO CC(C)COC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319321 588677900 /nfs/dbraw/zinc/67/79/00/588677900.db2.gz KDMBROKOAYYDFX-GFCCVEGCSA-N 1 2 238.331 1.811 20 30 BDEDLO C=CC[N@H+](Cc1nonc1C)[C@@H](C)COC ZINC000852357262 588679805 /nfs/dbraw/zinc/67/98/05/588679805.db2.gz ZEMUUYFXYCRMPE-VIFPVBQESA-N 1 2 225.292 1.401 20 30 BDEDLO C=CC[N@@H+](Cc1nonc1C)[C@@H](C)COC ZINC000852357262 588679806 /nfs/dbraw/zinc/67/98/06/588679806.db2.gz ZEMUUYFXYCRMPE-VIFPVBQESA-N 1 2 225.292 1.401 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1C ZINC000110717771 588692137 /nfs/dbraw/zinc/69/21/37/588692137.db2.gz GPRDDMBQLFKWIR-GFCCVEGCSA-N 1 2 229.327 1.694 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1C ZINC000110717771 588692138 /nfs/dbraw/zinc/69/21/38/588692138.db2.gz GPRDDMBQLFKWIR-GFCCVEGCSA-N 1 2 229.327 1.694 20 30 BDEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(C2CC2)o1 ZINC000862324618 589200457 /nfs/dbraw/zinc/20/04/57/589200457.db2.gz QILXKPDCUQTIGY-QMMMGPOBSA-N 1 2 205.261 1.944 20 30 BDEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000862326411 589201028 /nfs/dbraw/zinc/20/10/28/589201028.db2.gz NRCXIFYPXUXIBD-UHFFFAOYSA-N 1 2 203.289 1.624 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000862392637 589208418 /nfs/dbraw/zinc/20/84/18/589208418.db2.gz NYCWPOUEPGLZBI-XYJRDEOASA-N 1 2 235.327 1.576 20 30 BDEDLO C#C[C@@H]1CCCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000862401659 589209044 /nfs/dbraw/zinc/20/90/44/589209044.db2.gz HZRPJWYLQHTBSI-GFCCVEGCSA-N 1 2 217.316 1.872 20 30 BDEDLO C#CC[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000862445105 589212339 /nfs/dbraw/zinc/21/23/39/589212339.db2.gz LZJOGRCSGGGKEZ-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO C#CC[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000862445105 589212340 /nfs/dbraw/zinc/21/23/40/589212340.db2.gz LZJOGRCSGGGKEZ-VIFPVBQESA-N 1 2 207.302 1.383 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000862572226 589224475 /nfs/dbraw/zinc/22/44/75/589224475.db2.gz BSUGBLIYABZSDL-LLVKDONJSA-N 1 2 231.299 1.214 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000862572226 589224477 /nfs/dbraw/zinc/22/44/77/589224477.db2.gz BSUGBLIYABZSDL-LLVKDONJSA-N 1 2 231.299 1.214 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNCC(C)(C)O ZINC000863137314 589261783 /nfs/dbraw/zinc/26/17/83/589261783.db2.gz WVNUDWBUHPYCRH-UHFFFAOYSA-N 1 2 224.308 1.158 20 30 BDEDLO C=CCOCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477585 589291962 /nfs/dbraw/zinc/29/19/62/589291962.db2.gz QAPAHMSRKRJYSB-UHFFFAOYSA-N 1 2 242.319 1.647 20 30 BDEDLO CC[NH2+]Cc1noc(Cc2ccc(C#N)nc2)n1 ZINC000863656866 589308085 /nfs/dbraw/zinc/30/80/85/589308085.db2.gz UDDIUURNJQQXDP-UHFFFAOYSA-N 1 2 243.270 1.037 20 30 BDEDLO CCc1[nH]nc(Cl)c1C[NH+]1CC(CC#N)C1 ZINC000864051117 589335178 /nfs/dbraw/zinc/33/51/78/589335178.db2.gz AYUCUJLRICSVLO-UHFFFAOYSA-N 1 2 238.722 1.971 20 30 BDEDLO C#CCOCCNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865674454 589455660 /nfs/dbraw/zinc/45/56/60/589455660.db2.gz MQPJZSPSHWPPDD-SNVBAGLBSA-N 1 2 220.272 1.197 20 30 BDEDLO C#C[C@@H](C)N(C)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865731733 589458772 /nfs/dbraw/zinc/45/87/72/589458772.db2.gz XTBICMGHCACNEC-SECBINFHSA-N 1 2 245.330 1.569 20 30 BDEDLO N#Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)co1 ZINC000865878575 589466876 /nfs/dbraw/zinc/46/68/76/589466876.db2.gz SJYBMPSUTWHZTP-UHFFFAOYSA-N 1 2 242.238 1.045 20 30 BDEDLO COCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866213895 589480785 /nfs/dbraw/zinc/48/07/85/589480785.db2.gz BWBDYVOXPDWWGU-VIFPVBQESA-N 1 2 220.272 1.561 20 30 BDEDLO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000866242203 589482548 /nfs/dbraw/zinc/48/25/48/589482548.db2.gz IVJQOQJWXFDHPP-QWRGUYRKSA-N 1 2 246.310 1.951 20 30 BDEDLO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866282153 589484165 /nfs/dbraw/zinc/48/41/65/589484165.db2.gz MNSRVTZDEQXXHA-ZWNOBZJWSA-N 1 2 248.326 1.931 20 30 BDEDLO C[C@@H]([NH2+]CC1COC1)c1cccc(C#N)c1O ZINC000866399806 589490348 /nfs/dbraw/zinc/49/03/48/589490348.db2.gz VVIBOWDJYQLFBQ-SECBINFHSA-N 1 2 232.283 1.561 20 30 BDEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc(C#N)c1O ZINC000866489386 589497181 /nfs/dbraw/zinc/49/71/81/589497181.db2.gz LYEINKYKDYQTMQ-XDTLVQLUSA-N 1 2 246.310 1.828 20 30 BDEDLO C=C1CC(C)(C(=O)NC2=[NH+]C[C@@H](C)S2)C1 ZINC000868971161 589584052 /nfs/dbraw/zinc/58/40/52/589584052.db2.gz ZSHLRLTUXKSXEW-MRVPVSSYSA-N 1 2 224.329 1.950 20 30 BDEDLO CC(C)[N@H+](CCCC#N)CCS(C)(=O)=O ZINC000122467777 589592580 /nfs/dbraw/zinc/59/25/80/589592580.db2.gz KCAMTBPZFNVKSM-UHFFFAOYSA-N 1 2 232.349 1.045 20 30 BDEDLO CC(C)[N@@H+](CCCC#N)CCS(C)(=O)=O ZINC000122467777 589592581 /nfs/dbraw/zinc/59/25/81/589592581.db2.gz KCAMTBPZFNVKSM-UHFFFAOYSA-N 1 2 232.349 1.045 20 30 BDEDLO N#Cc1cc(C(=O)OCCCn2cc[nH+]c2)co1 ZINC000870007737 589642414 /nfs/dbraw/zinc/64/24/14/589642414.db2.gz TXLRQKOQKVBHBY-UHFFFAOYSA-N 1 2 245.238 1.595 20 30 BDEDLO N#Cc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000871748265 589804746 /nfs/dbraw/zinc/80/47/46/589804746.db2.gz BYXKDXWHXCVAOP-SNVBAGLBSA-N 1 2 235.243 1.329 20 30 BDEDLO C[C@@H](CC#N)NN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872358922 589918888 /nfs/dbraw/zinc/91/88/88/589918888.db2.gz ZJOAFGJKLDITID-QMMMGPOBSA-N 1 2 228.259 1.135 20 30 BDEDLO CNC(=S)N(C)[NH+]=Cc1ccccc1NC ZINC000872380752 589928046 /nfs/dbraw/zinc/92/80/46/589928046.db2.gz CIJVQWPZLDZUFH-UHFFFAOYSA-N 1 2 236.344 1.498 20 30 BDEDLO Cc1cccc(N=NC(C)c2cn(C)c[nH+]2)n1 ZINC000872392962 589931837 /nfs/dbraw/zinc/93/18/37/589931837.db2.gz FQJRDOVONPIXCO-UHFFFAOYSA-N 1 2 229.287 1.960 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC000874467610 590113493 /nfs/dbraw/zinc/11/34/93/590113493.db2.gz QYWJOLZKVFVPAW-UHFFFAOYSA-N 1 2 234.343 1.510 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C(=O)OC ZINC000877582530 590366472 /nfs/dbraw/zinc/36/64/72/590366472.db2.gz ADEAQBGMKDBSHB-HLTSFMKQSA-N 1 2 231.242 1.185 20 30 BDEDLO C[C@@H](CCC#N)C[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000877596660 590370037 /nfs/dbraw/zinc/37/00/37/590370037.db2.gz VRXDRCSXFUOOSF-JTQLQIEISA-N 1 2 237.303 1.063 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@H](C)COC(C)C)C(=O)OC ZINC000877689455 590391968 /nfs/dbraw/zinc/39/19/68/590391968.db2.gz GPCHHIVPGOSVKZ-VXGBXAGGSA-N 1 2 243.347 1.897 20 30 BDEDLO CCC[C@H](C)C[N@@H+](CC#N)CCC(=O)OC ZINC000877709347 590398814 /nfs/dbraw/zinc/39/88/14/590398814.db2.gz UWUIROGAYHCSDL-NSHDSACASA-N 1 2 226.320 1.811 20 30 BDEDLO CCC[C@H](C)C[N@H+](CC#N)CCC(=O)OC ZINC000877709347 590398817 /nfs/dbraw/zinc/39/88/17/590398817.db2.gz UWUIROGAYHCSDL-NSHDSACASA-N 1 2 226.320 1.811 20 30 BDEDLO C[C@H](C#N)CN(C)Cc1[nH+]ccn1CC(F)F ZINC000878035400 590476052 /nfs/dbraw/zinc/47/60/52/590476052.db2.gz UCMDLPVXVYKTFN-SECBINFHSA-N 1 2 242.273 1.740 20 30 BDEDLO C=CC[C@@H](C)[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000878171312 590515201 /nfs/dbraw/zinc/51/52/01/590515201.db2.gz GBDSIOLDWZPCFN-LLVKDONJSA-N 1 2 248.330 1.033 20 30 BDEDLO C=CC[C@@H](C)[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000878171312 590515202 /nfs/dbraw/zinc/51/52/02/590515202.db2.gz GBDSIOLDWZPCFN-LLVKDONJSA-N 1 2 248.330 1.033 20 30 BDEDLO C[C@H](CC#N)N(C)Cc1[nH+]ccn1CC(F)F ZINC000878188559 590521042 /nfs/dbraw/zinc/52/10/42/590521042.db2.gz LTUSWFGLVPXWNK-SECBINFHSA-N 1 2 242.273 1.882 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCc1ccccn1 ZINC000878310581 590539934 /nfs/dbraw/zinc/53/99/34/590539934.db2.gz ZDILAUXJPFQSOR-ZDUSSCGKSA-N 1 2 248.326 1.674 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCc1ccccn1 ZINC000878310581 590539937 /nfs/dbraw/zinc/53/99/37/590539937.db2.gz ZDILAUXJPFQSOR-ZDUSSCGKSA-N 1 2 248.326 1.674 20 30 BDEDLO C#CCCCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000878333910 590548629 /nfs/dbraw/zinc/54/86/29/590548629.db2.gz IUXGCLSQBJJDIB-ZDUSSCGKSA-N 1 2 239.315 1.102 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nocc1C)[C@H]1CCCO1 ZINC000878453971 590570611 /nfs/dbraw/zinc/57/06/11/590570611.db2.gz QCSYCMJKJKGPAM-ZYHUDNBSSA-N 1 2 220.272 1.253 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ncccc1C ZINC000878516355 590584793 /nfs/dbraw/zinc/58/47/93/590584793.db2.gz DDRQYMSINSMGOP-LLVKDONJSA-N 1 2 231.299 1.282 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000878516355 590584794 /nfs/dbraw/zinc/58/47/94/590584794.db2.gz DDRQYMSINSMGOP-LLVKDONJSA-N 1 2 231.299 1.282 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccnn1CCC ZINC000878516382 590584947 /nfs/dbraw/zinc/58/49/47/590584947.db2.gz DORDDKNYICTVMY-NSHDSACASA-N 1 2 248.330 1.185 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccnn1CCC ZINC000878516382 590584949 /nfs/dbraw/zinc/58/49/49/590584949.db2.gz DORDDKNYICTVMY-NSHDSACASA-N 1 2 248.330 1.185 20 30 BDEDLO C#CC[N@H+](Cc1cccnc1)C1CSC1 ZINC000878914011 590643483 /nfs/dbraw/zinc/64/34/83/590643483.db2.gz JOFPOZUNILPONL-UHFFFAOYSA-N 1 2 218.325 1.632 20 30 BDEDLO C#CC[N@@H+](Cc1cccnc1)C1CSC1 ZINC000878914011 590643486 /nfs/dbraw/zinc/64/34/86/590643486.db2.gz JOFPOZUNILPONL-UHFFFAOYSA-N 1 2 218.325 1.632 20 30 BDEDLO C#CC[N@@H+](Cc1cccc(C)n1)C1CSC1 ZINC000878910299 590646540 /nfs/dbraw/zinc/64/65/40/590646540.db2.gz KNMVHAHUKZFSOT-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@H+](Cc1cccc(C)n1)C1CSC1 ZINC000878910299 590646544 /nfs/dbraw/zinc/64/65/44/590646544.db2.gz KNMVHAHUKZFSOT-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@@H+](C/C=C\Cl)C1CSC1 ZINC000878912470 590649229 /nfs/dbraw/zinc/64/92/29/590649229.db2.gz FKXZAYAXUWXNHH-ARJAWSKDSA-N 1 2 201.722 1.790 20 30 BDEDLO C#CC[N@H+](C/C=C\Cl)C1CSC1 ZINC000878912470 590649231 /nfs/dbraw/zinc/64/92/31/590649231.db2.gz FKXZAYAXUWXNHH-ARJAWSKDSA-N 1 2 201.722 1.790 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)OC ZINC000879052154 590686577 /nfs/dbraw/zinc/68/65/77/590686577.db2.gz MHUZXQTZAAZAFG-GCHJQGSQSA-N 1 2 241.331 1.506 20 30 BDEDLO C#C[C@H](NC(=O)Nc1cc[nH+]cc1C)C(C)(C)C ZINC000879072986 590691723 /nfs/dbraw/zinc/69/17/23/590691723.db2.gz KPBSRHKYZGFVMG-LBPRGKRZSA-N 1 2 245.326 1.981 20 30 BDEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000879072418 590691792 /nfs/dbraw/zinc/69/17/92/590691792.db2.gz CWWZUSOCMGDFBF-NSHDSACASA-N 1 2 249.314 1.261 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000879185964 590710676 /nfs/dbraw/zinc/71/06/76/590710676.db2.gz VFCNJDQEMSXPST-LLVKDONJSA-N 1 2 231.303 1.593 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1c[nH]nc1C ZINC000879188046 590710799 /nfs/dbraw/zinc/71/07/99/590710799.db2.gz GKSQIPYHCALBHU-NSHDSACASA-N 1 2 237.303 1.268 20 30 BDEDLO C#CCC[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879983315 590904127 /nfs/dbraw/zinc/90/41/27/590904127.db2.gz YPOBAFPFSWLURH-NSHDSACASA-N 1 2 209.289 1.331 20 30 BDEDLO C#CCC1(O)CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000880481475 591055538 /nfs/dbraw/zinc/05/55/38/591055538.db2.gz UTYYIBUQBJEXTO-UHFFFAOYSA-N 1 2 245.326 1.135 20 30 BDEDLO C=C[C@@](C)(O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000881312365 591187275 /nfs/dbraw/zinc/18/72/75/591187275.db2.gz KGZLKYAXGUFRDG-CYBMUJFWSA-N 1 2 244.298 1.423 20 30 BDEDLO CC#CC[C@H](CO)Nc1nc[nH+]c(C)c1C ZINC000882518505 591381376 /nfs/dbraw/zinc/38/13/76/591381376.db2.gz DAQRXYQPJCXWRW-LLVKDONJSA-N 1 2 219.288 1.280 20 30 BDEDLO C#CC[C@H](COC)Nc1cc(CO)cc[nH+]1 ZINC000882671791 591409436 /nfs/dbraw/zinc/40/94/36/591409436.db2.gz RRNYYEUJBQGQGQ-LLVKDONJSA-N 1 2 220.272 1.024 20 30 BDEDLO C#CC1(F)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000882886294 591463629 /nfs/dbraw/zinc/46/36/29/591463629.db2.gz NORVBJXEQMNXIT-UHFFFAOYSA-N 1 2 219.263 1.762 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000883005188 591506612 /nfs/dbraw/zinc/50/66/12/591506612.db2.gz HCASKLNBCWNVLC-NSHDSACASA-N 1 2 248.330 1.790 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000883005188 591506615 /nfs/dbraw/zinc/50/66/15/591506615.db2.gz HCASKLNBCWNVLC-NSHDSACASA-N 1 2 248.330 1.790 20 30 BDEDLO CCCCCCCCO[NH+]=C(N)CO ZINC000883012609 591513033 /nfs/dbraw/zinc/51/30/33/591513033.db2.gz LWSLIUWZRWSRGX-UHFFFAOYSA-N 1 2 202.298 1.838 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc[nH+]c(CC)n1 ZINC000884521191 591964806 /nfs/dbraw/zinc/96/48/06/591964806.db2.gz PUAKZRFXOBUSKP-ZJUUUORDSA-N 1 2 219.288 1.794 20 30 BDEDLO C=CCn1cc(CNc2cc[nH+]c(CC)n2)nn1 ZINC000884535839 591970483 /nfs/dbraw/zinc/97/04/83/591970483.db2.gz MSUNTBXUJKGUIF-UHFFFAOYSA-N 1 2 244.302 1.429 20 30 BDEDLO Cc1cn[nH]c1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000886266996 592190637 /nfs/dbraw/zinc/19/06/37/592190637.db2.gz CQIDJPHPSJYIHK-RYUDHWBXSA-N 1 2 247.346 1.136 20 30 BDEDLO Cc1c[nH]nc1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000886266996 592190639 /nfs/dbraw/zinc/19/06/39/592190639.db2.gz CQIDJPHPSJYIHK-RYUDHWBXSA-N 1 2 247.346 1.136 20 30 BDEDLO C[C@H](C#N)[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC1 ZINC000886278461 592197647 /nfs/dbraw/zinc/19/76/47/592197647.db2.gz AGSJGBGKTBSAKZ-NQBHXWOUSA-N 1 2 220.316 1.789 20 30 BDEDLO C[C@H](C#N)[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CC1 ZINC000886278461 592197648 /nfs/dbraw/zinc/19/76/48/592197648.db2.gz AGSJGBGKTBSAKZ-NQBHXWOUSA-N 1 2 220.316 1.789 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000887310592 592479589 /nfs/dbraw/zinc/47/95/89/592479589.db2.gz KOWXSGVSCFXFLJ-AEJSXWLSSA-N 1 2 215.293 1.117 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108190 592682927 /nfs/dbraw/zinc/68/29/27/592682927.db2.gz VQOURCBLQFUBIQ-UHFFFAOYSA-N 1 2 207.277 1.249 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000932157110 635606602 /nfs/dbraw/zinc/60/66/02/635606602.db2.gz CLDOWEFWHMXNBQ-QWRGUYRKSA-N 1 2 222.288 1.175 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000932157110 635606610 /nfs/dbraw/zinc/60/66/10/635606610.db2.gz CLDOWEFWHMXNBQ-QWRGUYRKSA-N 1 2 222.288 1.175 20 30 BDEDLO C#CCC1([NH2+]Cc2noc(C3CC3)n2)CCC1 ZINC000933301541 631216199 /nfs/dbraw/zinc/21/61/99/631216199.db2.gz OZSXODZRZAHPON-UHFFFAOYSA-N 1 2 231.299 1.983 20 30 BDEDLO Cc1nc(C#N)cc(NCCCn2cc[nH+]c2)n1 ZINC000308351040 631297550 /nfs/dbraw/zinc/29/75/50/631297550.db2.gz YHXOAZTVPRLKIT-UHFFFAOYSA-N 1 2 242.286 1.355 20 30 BDEDLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000934108558 631679978 /nfs/dbraw/zinc/67/99/78/631679978.db2.gz ROHHBUTZCCXWPG-NXEZZACHSA-N 1 2 237.328 1.624 20 30 BDEDLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000934108558 631679986 /nfs/dbraw/zinc/67/99/86/631679986.db2.gz ROHHBUTZCCXWPG-NXEZZACHSA-N 1 2 237.328 1.624 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CC)cc(=O)[nH]1 ZINC000934461540 631857253 /nfs/dbraw/zinc/85/72/53/631857253.db2.gz RKMMYJVOAAXANO-LLVKDONJSA-N 1 2 233.315 1.895 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CC)cc(=O)[nH]1 ZINC000934461540 631857255 /nfs/dbraw/zinc/85/72/55/631857255.db2.gz RKMMYJVOAAXANO-LLVKDONJSA-N 1 2 233.315 1.895 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(CC)o1 ZINC000934473722 631866864 /nfs/dbraw/zinc/86/68/64/631866864.db2.gz ZFTOBBMAVGPJGC-SECBINFHSA-N 1 2 207.277 1.782 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(CC)o1 ZINC000934473722 631866869 /nfs/dbraw/zinc/86/68/69/631866869.db2.gz ZFTOBBMAVGPJGC-SECBINFHSA-N 1 2 207.277 1.782 20 30 BDEDLO C#CCCCCNC(=O)CCCn1cc[nH+]c1 ZINC000156040820 632120437 /nfs/dbraw/zinc/12/04/37/632120437.db2.gz QNBSUFAXBGNAGH-UHFFFAOYSA-N 1 2 233.315 1.583 20 30 BDEDLO CC1(C)C(=O)N(C[NH+]2CCC(C#N)CC2)C1(C)C ZINC000177683834 632862052 /nfs/dbraw/zinc/86/20/52/632862052.db2.gz UIUVZHYKZGRBKO-UHFFFAOYSA-N 1 2 249.358 1.826 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccnnc1 ZINC000926873519 633757153 /nfs/dbraw/zinc/75/71/53/633757153.db2.gz GGPLRZYGBLCMOG-VIFPVBQESA-N 1 2 202.261 1.431 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cc(C)no1)[C@H]1CCCO1 ZINC000309874969 633888752 /nfs/dbraw/zinc/88/87/52/633888752.db2.gz SGNNKQFPBGBJJK-VXGBXAGGSA-N 1 2 220.272 1.253 20 30 BDEDLO Cc1cc(C#N)ccc1CO[NH+]=C(N)CCO ZINC000186790442 634086138 /nfs/dbraw/zinc/08/61/38/634086138.db2.gz FUFJOUAKUCHTIS-UHFFFAOYSA-N 1 2 233.271 1.038 20 30 BDEDLO C#CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC000928627047 636224121 /nfs/dbraw/zinc/22/41/21/636224121.db2.gz UQTJUWXUCOXFNO-UHFFFAOYSA-N 1 2 241.294 1.818 20 30 BDEDLO CCN(CCC#N)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896861247 636234397 /nfs/dbraw/zinc/23/43/97/636234397.db2.gz VLLKJWDCTMWBTG-UHFFFAOYSA-N 1 2 248.330 1.689 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)NCCCC#N)c[nH+]1 ZINC000897367410 636504320 /nfs/dbraw/zinc/50/43/20/636504320.db2.gz COJCVPRVEPFQMY-UHFFFAOYSA-N 1 2 234.303 1.347 20 30 BDEDLO C=CC[C@H](CO)Nc1cc(NCCC)[nH+]cn1 ZINC000320994785 636553126 /nfs/dbraw/zinc/55/31/26/636553126.db2.gz JSYOFBAJYKQHBH-SNVBAGLBSA-N 1 2 236.319 1.647 20 30 BDEDLO C=CC[C@H](CO)Nc1cc(NCCC)nc[nH+]1 ZINC000320994785 636553137 /nfs/dbraw/zinc/55/31/37/636553137.db2.gz JSYOFBAJYKQHBH-SNVBAGLBSA-N 1 2 236.319 1.647 20 30 BDEDLO C=C[C@H](CO)[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866391603 636885650 /nfs/dbraw/zinc/88/56/50/636885650.db2.gz LRXLJXQYTAYTKZ-XWIASGKRSA-N 1 2 237.274 1.595 20 30 BDEDLO C#CCCc1noc([C@@H]2C[N@@H+](C)C[C@H](C)O2)n1 ZINC000923883410 636938145 /nfs/dbraw/zinc/93/81/45/636938145.db2.gz SQUCUPIAXJBIEW-UWVGGRQHSA-N 1 2 235.287 1.027 20 30 BDEDLO C#CCCc1noc([C@@H]2C[N@H+](C)C[C@H](C)O2)n1 ZINC000923883410 636938160 /nfs/dbraw/zinc/93/81/60/636938160.db2.gz SQUCUPIAXJBIEW-UWVGGRQHSA-N 1 2 235.287 1.027 20 30 BDEDLO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(C#N)c1O ZINC000927143635 637054113 /nfs/dbraw/zinc/05/41/13/637054113.db2.gz HCNHAVUIJQIPJK-CKYFFXLPSA-N 1 2 246.310 1.685 20 30 BDEDLO C=C[C@@H](CC)Cc1nc(C[NH2+]CC)no1 ZINC000904493753 637420356 /nfs/dbraw/zinc/42/03/56/637420356.db2.gz GPWYUCASQWAEML-VIFPVBQESA-N 1 2 209.293 1.934 20 30 BDEDLO C=CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905053370 637568846 /nfs/dbraw/zinc/56/88/46/637568846.db2.gz ZOCTVYDJJFTCBY-UHFFFAOYSA-N 1 2 204.273 1.923 20 30 BDEDLO C=CC[C@@H]([NH2+]CCc1ccccc1)C(=O)OC ZINC000905746669 637895706 /nfs/dbraw/zinc/89/57/06/637895706.db2.gz YAKGYCNPNPJYDP-CYBMUJFWSA-N 1 2 233.311 1.936 20 30 BDEDLO C=CC[C@@H]([NH2+]CCCOCC)C(=O)OC ZINC000905746985 637897986 /nfs/dbraw/zinc/89/79/86/637897986.db2.gz GSDIQZAQQOQPMF-SNVBAGLBSA-N 1 2 215.293 1.120 20 30 BDEDLO Cc1cc(C)c(C(=O)N(C)[C@H](C)C#N)c(C)[nH+]1 ZINC000905727816 637899744 /nfs/dbraw/zinc/89/97/44/637899744.db2.gz GMGXKZWTEKCFPH-SNVBAGLBSA-N 1 2 231.299 1.991 20 30 BDEDLO C=CC[C@@H]([NH2+]CC(C)(C)OCC)C(=O)OC ZINC000905763995 637919323 /nfs/dbraw/zinc/91/93/23/637919323.db2.gz FMOPALSMOOULPM-SNVBAGLBSA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C(=O)OC ZINC000905765467 637920632 /nfs/dbraw/zinc/92/06/32/637920632.db2.gz DJUYDOAXUUBWFD-DTWKUNHWSA-N 1 2 233.258 1.882 20 30 BDEDLO C=CC[C@H]([NH2+]CCCOC(F)F)C(=O)OC ZINC000905767981 637922532 /nfs/dbraw/zinc/92/25/32/637922532.db2.gz RNXBAMVPMFOYJS-QMMMGPOBSA-N 1 2 237.246 1.323 20 30 BDEDLO C=CC[C@@H]([NH2+]CCCOC(F)F)C(=O)OC ZINC000905767980 637923301 /nfs/dbraw/zinc/92/33/01/637923301.db2.gz RNXBAMVPMFOYJS-MRVPVSSYSA-N 1 2 237.246 1.323 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C(=O)OC ZINC000905771994 637926569 /nfs/dbraw/zinc/92/65/69/637926569.db2.gz BGSIGFOIDDYZMI-WCBMZHEXSA-N 1 2 233.258 1.739 20 30 BDEDLO C=CC[C@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000905772172 637927264 /nfs/dbraw/zinc/92/72/64/637927264.db2.gz VWYACOYYNRSKCA-NSHDSACASA-N 1 2 241.331 1.653 20 30 BDEDLO C=CC[C@H]([NH2+]CC1(SCC)CC1)C(=O)OC ZINC000905773219 637928739 /nfs/dbraw/zinc/92/87/39/637928739.db2.gz HBZZDVCXTIXAEG-JTQLQIEISA-N 1 2 243.372 1.979 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000906883058 638260194 /nfs/dbraw/zinc/26/01/94/638260194.db2.gz MDDABZDMJKFVHZ-JQWIXIFHSA-N 1 2 249.314 1.316 20 30 BDEDLO C#C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907491384 638391743 /nfs/dbraw/zinc/39/17/43/638391743.db2.gz LINFFAXLDMCCPJ-VIFPVBQESA-N 1 2 216.284 1.758 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)CNc1cccc[nH+]1 ZINC000908300722 638650767 /nfs/dbraw/zinc/65/07/67/638650767.db2.gz XGLHBFJDASYQFL-CYBMUJFWSA-N 1 2 244.298 1.302 20 30 BDEDLO C=CCC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908397560 638693835 /nfs/dbraw/zinc/69/38/35/638693835.db2.gz PWRFRZWXMFYMIH-UHFFFAOYSA-N 1 2 221.304 1.671 20 30 BDEDLO N#CC1CCC(C[N@H+](CCO)CC(F)F)CC1 ZINC000930285644 639682474 /nfs/dbraw/zinc/68/24/74/639682474.db2.gz BQJPEYAZSIDGPG-UHFFFAOYSA-N 1 2 246.301 1.876 20 30 BDEDLO N#CC1CCC(C[N@@H+](CCO)CC(F)F)CC1 ZINC000930285644 639682478 /nfs/dbraw/zinc/68/24/78/639682478.db2.gz BQJPEYAZSIDGPG-UHFFFAOYSA-N 1 2 246.301 1.876 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000930350876 639722541 /nfs/dbraw/zinc/72/25/41/639722541.db2.gz LMOVUGKCENFUIX-ZIAGYGMSSA-N 1 2 248.301 1.832 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000930350876 639722922 /nfs/dbraw/zinc/72/29/22/639722922.db2.gz LMOVUGKCENFUIX-ZIAGYGMSSA-N 1 2 248.301 1.832 20 30 BDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623840 639829319 /nfs/dbraw/zinc/82/93/19/639829319.db2.gz VFUQWCMJOSBYSO-KOLCDFICSA-N 1 2 243.257 1.132 20 30 BDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623840 639829322 /nfs/dbraw/zinc/82/93/22/639829322.db2.gz VFUQWCMJOSBYSO-KOLCDFICSA-N 1 2 243.257 1.132 20 30 BDEDLO CC[C@@H](CO)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000930868463 639959040 /nfs/dbraw/zinc/95/90/40/639959040.db2.gz WGWDTUOJWVMBEM-LBPRGKRZSA-N 1 2 216.284 1.645 20 30 BDEDLO CC[C@@H](CO)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000930868463 639959048 /nfs/dbraw/zinc/95/90/48/639959048.db2.gz WGWDTUOJWVMBEM-LBPRGKRZSA-N 1 2 216.284 1.645 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931455145 640214122 /nfs/dbraw/zinc/21/41/22/640214122.db2.gz HKZFXLFIRXJIBM-UWVGGRQHSA-N 1 2 248.330 1.020 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931455145 640214129 /nfs/dbraw/zinc/21/41/29/640214129.db2.gz HKZFXLFIRXJIBM-UWVGGRQHSA-N 1 2 248.330 1.020 20 30 BDEDLO C#CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931793881 640371928 /nfs/dbraw/zinc/37/19/28/640371928.db2.gz MRCNGVFTHRGTHO-OAHLLOKOSA-N 1 2 237.306 1.990 20 30 BDEDLO C#CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931793881 640371931 /nfs/dbraw/zinc/37/19/31/640371931.db2.gz MRCNGVFTHRGTHO-OAHLLOKOSA-N 1 2 237.306 1.990 20 30 BDEDLO CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932149941 640430769 /nfs/dbraw/zinc/43/07/69/640430769.db2.gz NILIBYFPPIFSCF-LLVKDONJSA-N 1 2 224.304 1.564 20 30 BDEDLO CC(C)OC(=O)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932149941 640430774 /nfs/dbraw/zinc/43/07/74/640430774.db2.gz NILIBYFPPIFSCF-LLVKDONJSA-N 1 2 224.304 1.564 20 30 BDEDLO CCn1cc(CC[N@@H+]2CCC[C@H](C#N)C2)cn1 ZINC000932148800 640440551 /nfs/dbraw/zinc/44/05/51/640440551.db2.gz SIKNIZXAYHHKEM-GFCCVEGCSA-N 1 2 232.331 1.681 20 30 BDEDLO CCn1cc(CC[N@H+]2CCC[C@H](C#N)C2)cn1 ZINC000932148800 640440558 /nfs/dbraw/zinc/44/05/58/640440558.db2.gz SIKNIZXAYHHKEM-GFCCVEGCSA-N 1 2 232.331 1.681 20 30 BDEDLO C#CC[N@H+](Cc1ccncc1C#N)C(C)C ZINC000932384573 640513570 /nfs/dbraw/zinc/51/35/70/640513570.db2.gz UYHYCDTYLZUSQW-UHFFFAOYSA-N 1 2 213.284 1.797 20 30 BDEDLO C#CC[N@@H+](Cc1ccncc1C#N)C(C)C ZINC000932384573 640513574 /nfs/dbraw/zinc/51/35/74/640513574.db2.gz UYHYCDTYLZUSQW-UHFFFAOYSA-N 1 2 213.284 1.797 20 30 BDEDLO Cc1cc(C(N)=[NH+]OCc2ccon2)ccc1F ZINC000156953698 640520160 /nfs/dbraw/zinc/52/01/60/640520160.db2.gz XVVPUXQBPWIDQQ-UHFFFAOYSA-N 1 2 249.245 1.959 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CC)nn1)C(C)(C)C ZINC000932461665 640529819 /nfs/dbraw/zinc/52/98/19/640529819.db2.gz UPRNFPADPHBURO-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO C#CC[N@H+](Cc1cn(CC)nn1)C(C)(C)C ZINC000932461665 640529822 /nfs/dbraw/zinc/52/98/22/640529822.db2.gz UPRNFPADPHBURO-UHFFFAOYSA-N 1 2 220.320 1.532 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2ccco2)C1 ZINC001030055419 640552847 /nfs/dbraw/zinc/55/28/47/640552847.db2.gz XFNNCISQJIJWDX-UHFFFAOYSA-N 1 2 220.272 1.270 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnccc2C)C1 ZINC001030179329 640662995 /nfs/dbraw/zinc/66/29/95/640662995.db2.gz OFARBQSVWCQMIL-UHFFFAOYSA-N 1 2 245.326 1.380 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc[nH]c2CC)C1 ZINC001030274197 640722455 /nfs/dbraw/zinc/72/24/55/640722455.db2.gz GSJVZPLJRINUJJ-UHFFFAOYSA-N 1 2 247.342 1.567 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933545813 640724940 /nfs/dbraw/zinc/72/49/40/640724940.db2.gz ZPKYMUYUZGFDPM-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933545813 640724946 /nfs/dbraw/zinc/72/49/46/640724946.db2.gz ZPKYMUYUZGFDPM-ZDUSSCGKSA-N 1 2 235.331 1.760 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1cccnc1)C(=O)OC ZINC000934225343 641105467 /nfs/dbraw/zinc/10/54/67/641105467.db2.gz BZHJHEKGBSMIGU-DGCLKSJQSA-N 1 2 248.326 1.720 20 30 BDEDLO N#CCC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934337192 641129253 /nfs/dbraw/zinc/12/92/53/641129253.db2.gz QKQQFSUBCWXPEU-SNVBAGLBSA-N 1 2 221.329 1.921 20 30 BDEDLO N#CCC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934337192 641129256 /nfs/dbraw/zinc/12/92/56/641129256.db2.gz QKQQFSUBCWXPEU-SNVBAGLBSA-N 1 2 221.329 1.921 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1nocc1C ZINC000934518797 641187207 /nfs/dbraw/zinc/18/72/07/641187207.db2.gz MJNAPNLDRLQGCZ-NSHDSACASA-N 1 2 204.273 1.971 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nocc1C ZINC000934518797 641187214 /nfs/dbraw/zinc/18/72/14/641187214.db2.gz MJNAPNLDRLQGCZ-NSHDSACASA-N 1 2 204.273 1.971 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001030873476 641393866 /nfs/dbraw/zinc/39/38/66/641393866.db2.gz SDXXEMHIWQHDBJ-TZMCWYRMSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2C[C@H]2C)C1 ZINC001030903022 641412097 /nfs/dbraw/zinc/41/20/97/641412097.db2.gz VRDPYNAOJMCZOD-ZJUUUORDSA-N 1 2 208.305 1.019 20 30 BDEDLO C=C1CCC(C(=O)NC2C[NH+](CC)C2)CC1 ZINC001030903448 641412699 /nfs/dbraw/zinc/41/26/99/641412699.db2.gz HDZPYDSVSAQQSB-UHFFFAOYSA-N 1 2 222.332 1.553 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCC[C@@H]2C)C1 ZINC001030909060 641416539 /nfs/dbraw/zinc/41/65/39/641416539.db2.gz OTXNKUIZQSQJPF-WFASDCNBSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C)CC(=C)C2)C1 ZINC001030917148 641421362 /nfs/dbraw/zinc/42/13/62/641421362.db2.gz WAFJCXVPZIXIEP-UHFFFAOYSA-N 1 2 234.343 1.719 20 30 BDEDLO C#CC[N@@H+](CCS(=O)(=O)CC)C1CCCC1 ZINC000155803044 641583488 /nfs/dbraw/zinc/58/34/88/641583488.db2.gz QBWJMXQMZZCYCB-UHFFFAOYSA-N 1 2 243.372 1.299 20 30 BDEDLO C#CC[N@H+](CCS(=O)(=O)CC)C1CCCC1 ZINC000155803044 641583493 /nfs/dbraw/zinc/58/34/93/641583493.db2.gz QBWJMXQMZZCYCB-UHFFFAOYSA-N 1 2 243.372 1.299 20 30 BDEDLO COC(=O)/C=C(/C)C[N@H+](C)[C@@H](C)CC#N ZINC000929832276 641722535 /nfs/dbraw/zinc/72/25/35/641722535.db2.gz SMTBKYSCPOSMQF-RNKPRXRFSA-N 1 2 210.277 1.340 20 30 BDEDLO COC(=O)/C=C(/C)C[N@@H+](C)[C@@H](C)CC#N ZINC000929832276 641722542 /nfs/dbraw/zinc/72/25/42/641722542.db2.gz SMTBKYSCPOSMQF-RNKPRXRFSA-N 1 2 210.277 1.340 20 30 BDEDLO C=CCNC(=S)NCCCCn1cc[nH+]c1 ZINC000918166760 642175946 /nfs/dbraw/zinc/17/59/46/642175946.db2.gz VUAUGRYARCVOOC-UHFFFAOYSA-N 1 2 238.360 1.313 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnnn2CCCC)C1 ZINC000847024853 642411273 /nfs/dbraw/zinc/41/12/73/642411273.db2.gz ABERVVNEZITUIY-GFCCVEGCSA-N 1 2 247.346 1.318 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnnn2CCCC)C1 ZINC000847024853 642411283 /nfs/dbraw/zinc/41/12/83/642411283.db2.gz ABERVVNEZITUIY-GFCCVEGCSA-N 1 2 247.346 1.318 20 30 BDEDLO CCn1c[nH+]c2c1CCN(CCO[C@@H](C)C#N)C2 ZINC000933254835 642424626 /nfs/dbraw/zinc/42/46/26/642424626.db2.gz UREZJTZYGGXOBP-NSHDSACASA-N 1 2 248.330 1.190 20 30 BDEDLO C=CCCOCC(=O)NCc1c[nH+]c(C)cc1C ZINC000654382933 642820587 /nfs/dbraw/zinc/82/05/87/642820587.db2.gz ZWVIZOMJPGGITM-UHFFFAOYSA-N 1 2 248.326 1.907 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001015543504 642907263 /nfs/dbraw/zinc/90/72/63/642907263.db2.gz DFXLRWDDBUWHFG-LSJOCFKGSA-N 1 2 242.750 1.585 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001015543504 642907270 /nfs/dbraw/zinc/90/72/70/642907270.db2.gz DFXLRWDDBUWHFG-LSJOCFKGSA-N 1 2 242.750 1.585 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](O)C(C)(C)C ZINC000304228028 643090962 /nfs/dbraw/zinc/09/09/62/643090962.db2.gz JUWFJJDMXUDZIR-LLVKDONJSA-N 1 2 243.347 1.445 20 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/nfs/dbraw/zinc/57/82/31/711578231.db2.gz HQEYFCQBUGBGFU-LLVKDONJSA-N 1 2 232.283 1.025 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001038042220 711578233 /nfs/dbraw/zinc/57/82/33/711578233.db2.gz HQEYFCQBUGBGFU-LLVKDONJSA-N 1 2 232.283 1.025 20 30 BDEDLO C[C@H]1[N@H+](Cc2cncc(C#N)c2)CCOC1(C)C ZINC000721544187 711621083 /nfs/dbraw/zinc/62/10/83/711621083.db2.gz KVEDSMAMWXCWQX-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1[N@@H+](Cc2cncc(C#N)c2)CCOC1(C)C ZINC000721544187 711621084 /nfs/dbraw/zinc/62/10/84/711621084.db2.gz KVEDSMAMWXCWQX-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C#CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721384813 711719332 /nfs/dbraw/zinc/71/93/32/711719332.db2.gz QMVIBJFJPJVGNU-SSDOTTSWSA-N 1 2 209.236 1.599 20 30 BDEDLO C#CC[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721384813 711719334 /nfs/dbraw/zinc/71/93/34/711719334.db2.gz QMVIBJFJPJVGNU-SSDOTTSWSA-N 1 2 209.236 1.599 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001032570302 711925709 /nfs/dbraw/zinc/92/57/09/711925709.db2.gz RUDKXKQXABBWCB-YDHLFZDLSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001032570302 711925711 /nfs/dbraw/zinc/92/57/11/711925711.db2.gz RUDKXKQXABBWCB-YDHLFZDLSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)C)CC1 ZINC001032615903 711929529 /nfs/dbraw/zinc/92/95/29/711929529.db2.gz OZEWVVCTUKZBND-STQMWFEESA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)C)CC1 ZINC001032615903 711929531 /nfs/dbraw/zinc/92/95/31/711929531.db2.gz OZEWVVCTUKZBND-STQMWFEESA-N 1 2 246.354 1.341 20 30 BDEDLO C=CC1CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000706671747 712151297 /nfs/dbraw/zinc/15/12/97/712151297.db2.gz QXCOUDXHSRZAJU-UHFFFAOYSA-N 1 2 218.304 1.921 20 30 BDEDLO C=CC1CCN(c2cc(NC)nc[nH+]2)CC1 ZINC000706671747 712151299 /nfs/dbraw/zinc/15/12/99/712151299.db2.gz QXCOUDXHSRZAJU-UHFFFAOYSA-N 1 2 218.304 1.921 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc(NCCC)[nH+]cn1 ZINC000717957207 712735426 /nfs/dbraw/zinc/73/54/26/712735426.db2.gz VCJFWUIVJUAWAQ-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc(NCCC)nc[nH+]1 ZINC000717957207 712735427 /nfs/dbraw/zinc/73/54/27/712735427.db2.gz VCJFWUIVJUAWAQ-LLVKDONJSA-N 1 2 248.330 1.485 20 30 BDEDLO C[C@H](C#N)N(C)Cc1ccn2cc[nH+]c2c1 ZINC001141049207 960839797 /nfs/dbraw/zinc/83/97/97/960839797.db2.gz BAOVFINOSFTSRZ-SNVBAGLBSA-N 1 2 214.272 1.678 20 30 BDEDLO C[C@H](C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156800072 963465015 /nfs/dbraw/zinc/46/50/15/963465015.db2.gz PSUXWNISDQIVJA-MRVPVSSYSA-N 1 2 214.228 1.432 20 30 BDEDLO COC(C[N@H+](C)Cc1ccccc1C#N)OC ZINC000714687914 964440074 /nfs/dbraw/zinc/44/00/74/964440074.db2.gz KZRQJIQLBGNTPE-UHFFFAOYSA-N 1 2 234.299 1.609 20 30 BDEDLO COC(C[N@@H+](C)Cc1ccccc1C#N)OC ZINC000714687914 964440079 /nfs/dbraw/zinc/44/00/79/964440079.db2.gz KZRQJIQLBGNTPE-UHFFFAOYSA-N 1 2 234.299 1.609 20 30 BDEDLO CC1(C[N@@H+]2CCC3SC(=O)C=C3C2)COC1 ZINC001207791332 968885441 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/nfs/dbraw/zinc/99/70/32/971997032.db2.gz MLHQDSBMRUCBMH-UHFFFAOYSA-N 1 2 246.329 1.885 20 30 BDEDLO CCS(=O)(=O)C1CC[NH+](CCCC#N)CC1 ZINC000193243062 972210734 /nfs/dbraw/zinc/21/07/34/972210734.db2.gz YYRVOBHCWFYNRM-UHFFFAOYSA-N 1 2 244.360 1.189 20 30 BDEDLO COC(=O)c1[nH+]ccc(NCCCS)c1C ZINC001171003307 972229272 /nfs/dbraw/zinc/22/92/72/972229272.db2.gz TWQSJUHXKNERRI-UHFFFAOYSA-N 1 2 240.328 1.908 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccc(Cl)n2)CC1 ZINC000089945437 957158505 /nfs/dbraw/zinc/15/85/05/957158505.db2.gz ZCYLYRHTSUUDOY-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO Cc1cccn2c(CN3CC[C@@H](C#N)C3)c[nH+]c12 ZINC001136965757 972307707 /nfs/dbraw/zinc/30/77/07/972307707.db2.gz ZXROFTHNQTYBSA-LBPRGKRZSA-N 1 2 240.310 1.988 20 30 BDEDLO C=CCc1cc(C)c[nH+]c1NC1CN(C(C)=O)C1 ZINC001171077423 972319904 /nfs/dbraw/zinc/31/99/04/972319904.db2.gz RYWZIGWSKHXQMI-UHFFFAOYSA-N 1 2 245.326 1.761 20 30 BDEDLO C=C(C)C(=O)OC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222134559 972381807 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/nfs/dbraw/zinc/94/29/65/964942965.db2.gz ZLSLYZBHYYGCKM-GFCCVEGCSA-N 1 2 233.315 1.967 20 30 BDEDLO CC1(C)C(=O)NC[C@@H]1Nc1cc(CC#N)cc[nH+]1 ZINC001163012071 965231198 /nfs/dbraw/zinc/23/11/98/965231198.db2.gz QHIOOFGWDATJBR-JTQLQIEISA-N 1 2 244.298 1.084 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001030366461 965243389 /nfs/dbraw/zinc/24/33/89/965243389.db2.gz DGNUUHZEQREILF-HNNXBMFYSA-N 1 2 246.354 1.557 20 30 BDEDLO C#C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001163096771 965253981 /nfs/dbraw/zinc/25/39/81/965253981.db2.gz LPTWLFYBBBYENN-ZDUSSCGKSA-N 1 2 239.278 1.443 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc(CF)n2)C1 ZINC001232536233 965382592 /nfs/dbraw/zinc/38/25/92/965382592.db2.gz ZFMNVKQGSAWWLA-UHFFFAOYSA-N 1 2 219.263 1.897 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001483678035 965433278 /nfs/dbraw/zinc/43/32/78/965433278.db2.gz OFRULABLLGRYHH-GFCCVEGCSA-N 1 2 234.343 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001483678035 965433294 /nfs/dbraw/zinc/43/32/94/965433294.db2.gz OFRULABLLGRYHH-GFCCVEGCSA-N 1 2 234.343 1.390 20 30 BDEDLO CC[N@H+](CC(=O)OC)CC1(CC#N)CC1 ZINC000088256891 965451275 /nfs/dbraw/zinc/45/12/75/965451275.db2.gz LLOMPQJGTMVISN-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CC[N@@H+](CC(=O)OC)CC1(CC#N)CC1 ZINC000088256891 965451280 /nfs/dbraw/zinc/45/12/80/965451280.db2.gz LLOMPQJGTMVISN-UHFFFAOYSA-N 1 2 210.277 1.175 20 30 BDEDLO CC(=O)C=C(C)Nc1cc(N)c(F)c[nH+]1 ZINC001163737295 965554213 /nfs/dbraw/zinc/55/42/13/965554213.db2.gz UTNMGDOEGHDGIR-UTCJRWHESA-N 1 2 209.224 1.708 20 30 BDEDLO N#CCc1cc[nH+]c(N2C[C@H](CO)C[C@H](F)C2)c1 ZINC001164043513 965714402 /nfs/dbraw/zinc/71/44/02/965714402.db2.gz MXVXMDXBUZULPZ-NEPJUHHUSA-N 1 2 249.289 1.304 20 30 BDEDLO Cc1c[nH]c2nc(N3CC[NH2+]C[C@H]3C#N)ccc12 ZINC001164641062 965940005 /nfs/dbraw/zinc/94/00/05/965940005.db2.gz FLSLOFMGDQPFLR-SNVBAGLBSA-N 1 2 241.298 1.173 20 30 BDEDLO C=Cc1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164653005 965941432 /nfs/dbraw/zinc/94/14/32/965941432.db2.gz YMTIWRBUOKEOGC-LLVKDONJSA-N 1 2 214.272 1.026 20 30 BDEDLO Cc1cccc(C[NH+]2CC(CC#N)C2)n1 ZINC001204065749 966877241 /nfs/dbraw/zinc/87/72/41/966877241.db2.gz LQHXBTZAJOBFCF-UHFFFAOYSA-N 1 2 201.273 1.736 20 30 BDEDLO C=CC[NH+]1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204274761 966952119 /nfs/dbraw/zinc/95/21/19/966952119.db2.gz ISCDYBLHYVFBNC-UHFFFAOYSA-N 1 2 248.326 1.401 20 30 BDEDLO CC(C)OCCNc1[nH+]cccc1CC#N ZINC001161781866 967650509 /nfs/dbraw/zinc/65/05/09/967650509.db2.gz ADIQKFCSSIOEER-UHFFFAOYSA-N 1 2 219.288 1.985 20 30 BDEDLO N#CCC1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137831952 967822818 /nfs/dbraw/zinc/82/28/18/967822818.db2.gz UJLDKTUDTVMTAK-UHFFFAOYSA-N 1 2 220.247 1.877 20 30 BDEDLO C#CCOC[C@@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001251819056 968350435 /nfs/dbraw/zinc/35/04/35/968350435.db2.gz GGLOVCYDWBFGTA-AWEZNQCLSA-N 1 2 248.326 1.175 20 30 BDEDLO N#CCc1cc[nH+]c(N2CCC[C@@H](CCO)C2)c1 ZINC001166850187 968393363 /nfs/dbraw/zinc/39/33/63/968393363.db2.gz ZZTZONXZEBCMQT-ZDUSSCGKSA-N 1 2 245.326 1.746 20 30 BDEDLO C#C[C@H](CO)[NH2+]Cc1ccnc(Cl)c1Cl ZINC001206837635 968493265 /nfs/dbraw/zinc/49/32/65/968493265.db2.gz GUMPFTVONBYRBP-MRVPVSSYSA-N 1 2 245.109 1.472 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cccnc2C)CC1 ZINC001207155102 968664308 /nfs/dbraw/zinc/66/43/08/968664308.db2.gz KGCZUQNQRHQBHV-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001252546794 968783757 /nfs/dbraw/zinc/78/37/57/968783757.db2.gz CDBRSINRZCPZRB-ZJUUUORDSA-N 1 2 237.265 1.993 20 30 BDEDLO C=C[C@](C)(O)C[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001252546794 968783763 /nfs/dbraw/zinc/78/37/63/968783763.db2.gz CDBRSINRZCPZRB-ZJUUUORDSA-N 1 2 237.265 1.993 20 30 BDEDLO C#CC[NH+]1CCN(CCc2ccccc2F)CC1 ZINC001207504284 968807843 /nfs/dbraw/zinc/80/78/43/968807843.db2.gz IRIFVXNJYUDVFC-UHFFFAOYSA-N 1 2 246.329 1.619 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252593527 968853400 /nfs/dbraw/zinc/85/34/00/968853400.db2.gz JHEQMMFXRUSZPW-DCAQKATOSA-N 1 2 219.275 1.695 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252593527 968853404 /nfs/dbraw/zinc/85/34/04/968853404.db2.gz JHEQMMFXRUSZPW-DCAQKATOSA-N 1 2 219.275 1.695 20 30 BDEDLO C=C[C@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001253574747 969248389 /nfs/dbraw/zinc/24/83/89/969248389.db2.gz RNQDESBCQVLDRJ-NSHDSACASA-N 1 2 221.304 1.497 20 30 BDEDLO C=C[C@H](O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001253585988 969267431 /nfs/dbraw/zinc/26/74/31/969267431.db2.gz IBQYZYIZPWDPJF-QWHCGFSZSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@H](O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001253585988 969267439 /nfs/dbraw/zinc/26/74/39/969267439.db2.gz IBQYZYIZPWDPJF-QWHCGFSZSA-N 1 2 234.299 1.002 20 30 BDEDLO CC(C)C[C@H](C#N)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987747 969344307 /nfs/dbraw/zinc/34/43/07/969344307.db2.gz JYVZGOXVQMRWOY-SDDRHHMPSA-N 1 2 239.319 1.960 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046907 969365992 /nfs/dbraw/zinc/36/59/92/969365992.db2.gz OGQNEMTYUFMROP-OPRDCNLKSA-N 1 2 211.265 1.276 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046907 969365999 /nfs/dbraw/zinc/36/59/99/969365999.db2.gz OGQNEMTYUFMROP-OPRDCNLKSA-N 1 2 211.265 1.276 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046908 969364534 /nfs/dbraw/zinc/36/45/34/969364534.db2.gz OGQNEMTYUFMROP-UTLUCORTSA-N 1 2 211.265 1.276 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046908 969364538 /nfs/dbraw/zinc/36/45/38/969364538.db2.gz OGQNEMTYUFMROP-UTLUCORTSA-N 1 2 211.265 1.276 20 30 BDEDLO N#CCc1cc[nH+]c(NCC2(CO)CCC2)c1 ZINC001156270426 969483331 /nfs/dbraw/zinc/48/33/31/969483331.db2.gz ANENFLBDPWAWQK-UHFFFAOYSA-N 1 2 231.299 1.722 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC2(CC2)CC1 ZINC001254441933 969635148 /nfs/dbraw/zinc/63/51/48/969635148.db2.gz ZWVSZTYHMKPTBS-GFCCVEGCSA-N 1 2 219.332 1.507 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001254559376 969736247 /nfs/dbraw/zinc/73/62/47/969736247.db2.gz ZYFVGRYFHLMEJN-GFCCVEGCSA-N 1 2 233.315 1.562 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001254559376 969736256 /nfs/dbraw/zinc/73/62/56/969736256.db2.gz ZYFVGRYFHLMEJN-GFCCVEGCSA-N 1 2 233.315 1.562 20 30 BDEDLO C=C(C)c1ccc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC001169651868 969801301 /nfs/dbraw/zinc/80/13/01/969801301.db2.gz ANDUVAGVHQSACV-ZDUSSCGKSA-N 1 2 247.342 1.857 20 30 BDEDLO C=C(C)c1ccc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC001169651868 969801308 /nfs/dbraw/zinc/80/13/08/969801308.db2.gz ANDUVAGVHQSACV-ZDUSSCGKSA-N 1 2 247.342 1.857 20 30 BDEDLO C#CC[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210224725 969839128 /nfs/dbraw/zinc/83/91/28/969839128.db2.gz FPKWZRZJYNCCBS-GFCCVEGCSA-N 1 2 211.305 1.137 20 30 BDEDLO C=C[C@@H](CO)Nc1cc2cc(C)[nH]c2c[nH+]1 ZINC001169779314 969852367 /nfs/dbraw/zinc/85/23/67/969852367.db2.gz DIWHZTVDOSBQHH-JTQLQIEISA-N 1 2 217.272 1.830 20 30 BDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001255176701 969992448 /nfs/dbraw/zinc/99/24/48/969992448.db2.gz DERNWPOYXRIZDL-CHWSQXEVSA-N 1 2 249.358 1.669 20 30 BDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001255176701 969992457 /nfs/dbraw/zinc/99/24/57/969992457.db2.gz DERNWPOYXRIZDL-CHWSQXEVSA-N 1 2 249.358 1.669 20 30 BDEDLO Cn1c[nH+]cc1-c1cnc2[nH]cc(C#N)c2c1 ZINC001243069780 970261839 /nfs/dbraw/zinc/26/18/39/970261839.db2.gz AIPFFJUMTSOXCM-UHFFFAOYSA-N 1 2 223.239 1.835 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC001327553577 972628301 /nfs/dbraw/zinc/62/83/01/972628301.db2.gz GXRVAKRCBMULMR-JTQLQIEISA-N 1 2 236.319 1.010 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC001327553577 972628308 /nfs/dbraw/zinc/62/83/08/972628308.db2.gz GXRVAKRCBMULMR-JTQLQIEISA-N 1 2 236.319 1.010 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144185387 972675538 /nfs/dbraw/zinc/67/55/38/972675538.db2.gz FSVQNHPECUSHSF-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144185387 972675547 /nfs/dbraw/zinc/67/55/47/972675547.db2.gz FSVQNHPECUSHSF-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc[nH]c1C(=O)OCC ZINC001144340969 972780024 /nfs/dbraw/zinc/78/00/24/972780024.db2.gz WBCDMZCOAPMJHO-UHFFFAOYSA-N 1 2 220.272 1.256 20 30 BDEDLO C#CC[N@H+](C)Cc1cc[nH]c1C(=O)OCC ZINC001144340969 972780035 /nfs/dbraw/zinc/78/00/35/972780035.db2.gz WBCDMZCOAPMJHO-UHFFFAOYSA-N 1 2 220.272 1.256 20 30 BDEDLO C#Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001144576618 972879520 /nfs/dbraw/zinc/87/95/20/972879520.db2.gz QHPPWMANYMMMJC-OKILXGFUSA-N 1 2 213.280 1.641 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001144576618 972879523 /nfs/dbraw/zinc/87/95/23/972879523.db2.gz QHPPWMANYMMMJC-OKILXGFUSA-N 1 2 213.280 1.641 20 30 BDEDLO COC(=O)C[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171229339 973019352 /nfs/dbraw/zinc/01/93/52/973019352.db2.gz MBUWSHZBCZGKTE-LLVKDONJSA-N 1 2 246.310 1.594 20 30 BDEDLO COC(=O)C[N@@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171229339 973019365 /nfs/dbraw/zinc/01/93/65/973019365.db2.gz MBUWSHZBCZGKTE-LLVKDONJSA-N 1 2 246.310 1.594 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC#CC ZINC001276916511 973249070 /nfs/dbraw/zinc/24/90/70/973249070.db2.gz QGFMYWWSTOISQG-ZFWWWQNUSA-N 1 2 248.370 1.803 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CC#CC ZINC001276916511 973249084 /nfs/dbraw/zinc/24/90/84/973249084.db2.gz QGFMYWWSTOISQG-ZFWWWQNUSA-N 1 2 248.370 1.803 20 30 BDEDLO C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1C#N)n1cc[nH+]c1 ZINC001329593594 973843304 /nfs/dbraw/zinc/84/33/04/973843304.db2.gz RCKINRVCUCOPRZ-IJLUTSLNSA-N 1 2 246.314 1.595 20 30 BDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC000586063991 973940405 /nfs/dbraw/zinc/94/04/05/973940405.db2.gz JNPZXAUXYYLLEL-LLVKDONJSA-N 1 2 248.351 1.576 20 30 BDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC000586063991 973940417 /nfs/dbraw/zinc/94/04/17/973940417.db2.gz JNPZXAUXYYLLEL-LLVKDONJSA-N 1 2 248.351 1.576 20 30 BDEDLO CCc1ccc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]c1 ZINC001171365584 973967287 /nfs/dbraw/zinc/96/72/87/973967287.db2.gz FBYDLEQFHOPMLB-KWQFWETISA-N 1 2 235.287 1.292 20 30 BDEDLO CC[C@H](C#CC(=O)OC)Oc1cc[nH+]cc1 ZINC001225296429 974372511 /nfs/dbraw/zinc/37/25/11/974372511.db2.gz VHGQVLKXIXIGTQ-SNVBAGLBSA-N 1 2 219.240 1.415 20 30 BDEDLO C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)n1cc[nH+]c1 ZINC001330902618 974528095 /nfs/dbraw/zinc/52/80/95/974528095.db2.gz NFSSIIGIYUFDQF-RYUDHWBXSA-N 1 2 246.314 1.596 20 30 BDEDLO COC(=O)C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172294317 974559693 /nfs/dbraw/zinc/55/96/93/974559693.db2.gz HYOHMJMICNCKBD-SNVBAGLBSA-N 1 2 232.283 1.252 20 30 BDEDLO CCOC(=O)C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172298703 974563764 /nfs/dbraw/zinc/56/37/64/974563764.db2.gz CTJYPLMJANPVIO-NSHDSACASA-N 1 2 246.310 1.642 20 30 BDEDLO C[NH+]1CC(Oc2cccc(/C=N/O)c2)C1 ZINC001226110837 974792563 /nfs/dbraw/zinc/79/25/63/974792563.db2.gz WTBDWFHLDGWMDU-WUXMJOGZSA-N 1 2 206.245 1.188 20 30 BDEDLO C=C[C@H](COC)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001332435581 975122801 /nfs/dbraw/zinc/12/28/01/975122801.db2.gz XXUOYDMCJYRIBF-AEJSXWLSSA-N 1 2 222.292 1.075 20 30 BDEDLO Cc1cc[nH+]c(C)c1O[C@H]1C=CC(=O)C1 ZINC001227262978 975340050 /nfs/dbraw/zinc/34/00/50/975340050.db2.gz ZYAIBGRMSPSCRF-NSHDSACASA-N 1 2 203.241 1.975 20 30 BDEDLO COC(=O)CCCC[C@H](C)[N@H+](C)[C@@H](C)C#N ZINC001173460392 975395386 /nfs/dbraw/zinc/39/53/86/975395386.db2.gz XCSAVHMOPFFJOQ-QWRGUYRKSA-N 1 2 226.320 1.952 20 30 BDEDLO COC(=O)CCCC[C@H](C)[N@@H+](C)[C@@H](C)C#N ZINC001173460392 975395397 /nfs/dbraw/zinc/39/53/97/975395397.db2.gz XCSAVHMOPFFJOQ-QWRGUYRKSA-N 1 2 226.320 1.952 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173737220 975534410 /nfs/dbraw/zinc/53/44/10/975534410.db2.gz IYGKSCXVJNZXCK-IJLUTSLNSA-N 1 2 248.334 1.439 20 30 BDEDLO CC1(C#N)C[NH+]([C@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173757428 975549291 /nfs/dbraw/zinc/54/92/91/975549291.db2.gz WQMRNWMIDWIGDB-QWRGUYRKSA-N 1 2 246.318 1.002 20 30 BDEDLO C#CC1(O)C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001333438184 975775027 /nfs/dbraw/zinc/77/50/27/975775027.db2.gz JIEVRROAELLAHT-UHFFFAOYSA-N 1 2 229.270 1.492 20 30 BDEDLO C#CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001333659437 975949127 /nfs/dbraw/zinc/94/91/27/975949127.db2.gz BRCCWTUNCWKWSF-LLVKDONJSA-N 1 2 219.288 1.314 20 30 BDEDLO CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H](C)C#N ZINC001334611161 976564630 /nfs/dbraw/zinc/56/46/30/976564630.db2.gz OUVQJWAFLABSLZ-ZJUUUORDSA-N 1 2 220.276 1.205 20 30 BDEDLO C#Cc1cc(Nc2ccc3ncnn3c2)cc[nH+]1 ZINC001174371944 976610484 /nfs/dbraw/zinc/61/04/84/976610484.db2.gz XFIFTDOLJGNMIQ-UHFFFAOYSA-N 1 2 235.250 1.271 20 30 BDEDLO Cc1cc(C#N)nc(N2CCn3c[nH+]cc3C2)c1 ZINC001335489389 977093755 /nfs/dbraw/zinc/09/37/55/977093755.db2.gz LAKJIYXXJYENDH-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO CC(C)[NH+]1CC(Oc2cccc(C#N)n2)C1 ZINC001230039426 977102656 /nfs/dbraw/zinc/10/26/56/977102656.db2.gz VVGJCABJYLJLAA-UHFFFAOYSA-N 1 2 217.272 1.425 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(F)F ZINC001230589184 977263022 /nfs/dbraw/zinc/26/30/22/977263022.db2.gz WYWWQCZBAHSGEX-SNVBAGLBSA-N 1 2 244.285 1.198 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(F)F ZINC001230589184 977263036 /nfs/dbraw/zinc/26/30/36/977263036.db2.gz WYWWQCZBAHSGEX-SNVBAGLBSA-N 1 2 244.285 1.198 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230613689 977276097 /nfs/dbraw/zinc/27/60/97/977276097.db2.gz DQFBIZLDNDASTF-NSHDSACASA-N 1 2 240.322 1.291 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230613689 977276110 /nfs/dbraw/zinc/27/61/10/977276110.db2.gz DQFBIZLDNDASTF-NSHDSACASA-N 1 2 240.322 1.291 20 30 BDEDLO C#Cc1cc(Nc2cnn(C3CC3)c2)cc[nH+]1 ZINC001175958811 977826114 /nfs/dbraw/zinc/82/61/14/977826114.db2.gz PNDLXYWYDHDAOL-UHFFFAOYSA-N 1 2 224.267 1.760 20 30 BDEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N)nc[nH+]1 ZINC001336679295 977850006 /nfs/dbraw/zinc/85/00/06/977850006.db2.gz KUZRSPFZBPIBGD-AOOOYVTPSA-N 1 2 216.288 1.746 20 30 BDEDLO Cc1[nH]c(CN2CCCC[C@H]2C#N)c[nH+]1 ZINC001232463136 978101322 /nfs/dbraw/zinc/10/13/22/978101322.db2.gz CLLUIRANMGAHMR-NSHDSACASA-N 1 2 204.277 1.596 20 30 BDEDLO Cc1[nH]cc(CN2CCCC[C@H]2C#N)[nH+]1 ZINC001232463136 978101328 /nfs/dbraw/zinc/10/13/28/978101328.db2.gz CLLUIRANMGAHMR-NSHDSACASA-N 1 2 204.277 1.596 20 30 BDEDLO N#Cc1cc(C(=O)NCCn2cc[nH+]c2)cs1 ZINC001595684718 978128191 /nfs/dbraw/zinc/12/81/91/978128191.db2.gz OQGCQXFSYKXGID-UHFFFAOYSA-N 1 2 246.295 1.246 20 30 BDEDLO C[N@H+](CCC#N)Cc1c[nH]c2nccnc12 ZINC001232544536 978170715 /nfs/dbraw/zinc/17/07/15/978170715.db2.gz NIRBVAGXGCYSPI-UHFFFAOYSA-N 1 2 215.260 1.255 20 30 BDEDLO C[N@@H+](CCC#N)Cc1c[nH]c2nccnc12 ZINC001232544536 978170725 /nfs/dbraw/zinc/17/07/25/978170725.db2.gz NIRBVAGXGCYSPI-UHFFFAOYSA-N 1 2 215.260 1.255 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673629 978228938 /nfs/dbraw/zinc/22/89/38/978228938.db2.gz JZDFVSNCZMWXOX-GWCFXTLKSA-N 1 2 246.310 1.467 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673629 978228943 /nfs/dbraw/zinc/22/89/43/978228943.db2.gz JZDFVSNCZMWXOX-GWCFXTLKSA-N 1 2 246.310 1.467 20 30 BDEDLO C[C@@H]1COCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673634 978232483 /nfs/dbraw/zinc/23/24/83/978232483.db2.gz KBKGVXZZOLPRDQ-NSHDSACASA-N 1 2 246.310 1.732 20 30 BDEDLO C[C@@H]1COCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673634 978232490 /nfs/dbraw/zinc/23/24/90/978232490.db2.gz KBKGVXZZOLPRDQ-NSHDSACASA-N 1 2 246.310 1.732 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673632 978237761 /nfs/dbraw/zinc/23/77/61/978237761.db2.gz JZDFVSNCZMWXOX-ZWNOBZJWSA-N 1 2 246.310 1.467 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673632 978237771 /nfs/dbraw/zinc/23/77/71/978237771.db2.gz JZDFVSNCZMWXOX-ZWNOBZJWSA-N 1 2 246.310 1.467 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001232678213 978240619 /nfs/dbraw/zinc/24/06/19/978240619.db2.gz QLKIMCFMUWDPGB-UHFFFAOYSA-N 1 2 244.294 1.629 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001232678213 978240628 /nfs/dbraw/zinc/24/06/28/978240628.db2.gz QLKIMCFMUWDPGB-UHFFFAOYSA-N 1 2 244.294 1.629 20 30 BDEDLO C=CC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232679490 978246595 /nfs/dbraw/zinc/24/65/95/978246595.db2.gz NADIZJPNKLKNQR-UHFFFAOYSA-N 1 2 202.257 1.882 20 30 BDEDLO C=CC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232679490 978246604 /nfs/dbraw/zinc/24/66/04/978246604.db2.gz NADIZJPNKLKNQR-UHFFFAOYSA-N 1 2 202.257 1.882 20 30 BDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001233043826 978425030 /nfs/dbraw/zinc/42/50/30/978425030.db2.gz MYLUHGGTKFDZIO-RISCZKNCSA-N 1 2 245.326 1.887 20 30 BDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001233043826 978425042 /nfs/dbraw/zinc/42/50/42/978425042.db2.gz MYLUHGGTKFDZIO-RISCZKNCSA-N 1 2 245.326 1.887 20 30 BDEDLO C[N@@H+](Cc1[nH]ccc1C#N)C[C@H]1CCCCO1 ZINC001233047265 978437545 /nfs/dbraw/zinc/43/75/45/978437545.db2.gz UPRGCGMLARUYPI-GFCCVEGCSA-N 1 2 233.315 1.887 20 30 BDEDLO C[N@H+](Cc1[nH]ccc1C#N)C[C@H]1CCCCO1 ZINC001233047265 978437552 /nfs/dbraw/zinc/43/75/52/978437552.db2.gz UPRGCGMLARUYPI-GFCCVEGCSA-N 1 2 233.315 1.887 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC001337650790 978441479 /nfs/dbraw/zinc/44/14/79/978441479.db2.gz SHQVQJQSNXPIHW-GFCCVEGCSA-N 1 2 248.326 1.485 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC001337650790 978441485 /nfs/dbraw/zinc/44/14/85/978441485.db2.gz SHQVQJQSNXPIHW-GFCCVEGCSA-N 1 2 248.326 1.485 20 30 BDEDLO C[C@H](C(=O)N1CCCC[C@@H]1C#N)n1cc[nH+]c1 ZINC001177922790 978471336 /nfs/dbraw/zinc/47/13/36/978471336.db2.gz YDBTWQPCMHTXBP-GHMZBOCLSA-N 1 2 232.287 1.349 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC1=O ZINC001233383480 978592479 /nfs/dbraw/zinc/59/24/79/978592479.db2.gz JLSPFFUFOZBXCF-SNVBAGLBSA-N 1 2 244.294 1.675 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC1=O ZINC001233383480 978592485 /nfs/dbraw/zinc/59/24/85/978592485.db2.gz JLSPFFUFOZBXCF-SNVBAGLBSA-N 1 2 244.294 1.675 20 30 BDEDLO Cc1cc(C[NH2+][C@H](C)CC#N)cnc1F ZINC001179479158 978710199 /nfs/dbraw/zinc/71/01/99/978710199.db2.gz KSWSGVLTKDEDPP-SECBINFHSA-N 1 2 207.252 1.921 20 30 BDEDLO C[C@@H](C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001179895694 978778425 /nfs/dbraw/zinc/77/84/25/978778425.db2.gz NPGIIKCWZPCAPO-JTQLQIEISA-N 1 2 232.287 1.206 20 30 BDEDLO C#CCc1cc[nH+]c(N2CCOCC2)c1 ZINC001249949950 978782339 /nfs/dbraw/zinc/78/23/39/978782339.db2.gz XWFXXHLSNRFZGX-UHFFFAOYSA-N 1 2 202.257 1.094 20 30 BDEDLO N#C[C@@H]1CCCCN1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181258369 979023970 /nfs/dbraw/zinc/02/39/70/979023970.db2.gz YIUHWXXSEFEABY-NSHDSACASA-N 1 2 244.298 1.111 20 30 BDEDLO N#CCCN1CC2(CC[N@H+]2Cc2ccc[nH]2)C1 ZINC001277938824 979032332 /nfs/dbraw/zinc/03/23/32/979032332.db2.gz GAYMILGSSOUKQW-UHFFFAOYSA-N 1 2 230.315 1.188 20 30 BDEDLO N#CCCN1CC2(CC[N@@H+]2Cc2ccc[nH]2)C1 ZINC001277938824 979032330 /nfs/dbraw/zinc/03/23/30/979032330.db2.gz GAYMILGSSOUKQW-UHFFFAOYSA-N 1 2 230.315 1.188 20 30 BDEDLO COC1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235511527 979059921 /nfs/dbraw/zinc/05/99/21/979059921.db2.gz IEDYDKWTZXUUNQ-UHFFFAOYSA-N 1 2 216.284 1.583 20 30 BDEDLO C=CCN1CC[NH+](Cc2cccn2C)CC1 ZINC001203263487 979361320 /nfs/dbraw/zinc/36/13/20/979361320.db2.gz FEXIJVQMDDKJFU-UHFFFAOYSA-N 1 2 219.332 1.329 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC001342033117 979627411 /nfs/dbraw/zinc/62/74/11/979627411.db2.gz DREBVJXTNTYZOQ-MNOVXSKESA-N 1 2 236.319 1.153 20 30 BDEDLO C=CCO[C@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC001342033117 979627415 /nfs/dbraw/zinc/62/74/15/979627415.db2.gz DREBVJXTNTYZOQ-MNOVXSKESA-N 1 2 236.319 1.153 20 30 BDEDLO N#Cc1ccccc1OC1C[NH+](CCCO)C1 ZINC001237181599 979831781 /nfs/dbraw/zinc/83/17/81/979831781.db2.gz SNRGKZGMZQQTGW-UHFFFAOYSA-N 1 2 232.283 1.004 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237459533 979902945 /nfs/dbraw/zinc/90/29/45/979902945.db2.gz TXZMOXAZTRDBRD-KOLCDFICSA-N 1 2 219.263 1.886 20 30 BDEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnc(C#N)c1 ZINC001237459533 979902950 /nfs/dbraw/zinc/90/29/50/979902950.db2.gz TXZMOXAZTRDBRD-KOLCDFICSA-N 1 2 219.263 1.886 20 30 BDEDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccnc(C#N)c1)C2 ZINC001237465830 979907534 /nfs/dbraw/zinc/90/75/34/979907534.db2.gz LJNUPXAPSYWKKJ-KBPBESRZSA-N 1 2 243.310 1.707 20 30 BDEDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC001237465830 979907541 /nfs/dbraw/zinc/90/75/41/979907541.db2.gz LJNUPXAPSYWKKJ-KBPBESRZSA-N 1 2 243.310 1.707 20 30 BDEDLO C=C1CC(C)(C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001184794384 980135535 /nfs/dbraw/zinc/13/55/35/980135535.db2.gz DAKLFHSPBRKWTO-UHFFFAOYSA-N 1 2 246.310 1.933 20 30 BDEDLO N#C[C@H]1C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001186977853 980466851 /nfs/dbraw/zinc/46/68/51/980466851.db2.gz VYXHRJAGNQGIAA-ZYHUDNBSSA-N 1 2 244.298 1.206 20 30 BDEDLO Cn1c[nH+]cc1CCCOC(=O)CC(C)(C)C#N ZINC001346226305 980791717 /nfs/dbraw/zinc/79/17/17/980791717.db2.gz HZNDVIHPOBPXLJ-UHFFFAOYSA-N 1 2 249.314 1.836 20 30 BDEDLO C=C(CC)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001346266812 980800786 /nfs/dbraw/zinc/80/07/86/980800786.db2.gz LIXRIXWXZCHDTK-UHFFFAOYSA-N 1 2 247.342 1.844 20 30 BDEDLO C=C(C)CN(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001346777648 980903783 /nfs/dbraw/zinc/90/37/83/980903783.db2.gz HIIIODVCEBXBNE-UHFFFAOYSA-N 1 2 248.330 1.841 20 30 BDEDLO C=C(CC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001346945001 980935798 /nfs/dbraw/zinc/93/57/98/980935798.db2.gz KGJWBWRYBTVZOI-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO Cc1ccc2[nH+]cc(CN(C)CCC#N)n2c1 ZINC000157826857 981027402 /nfs/dbraw/zinc/02/74/02/981027402.db2.gz TWGMKNKUZBWIMK-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO C=C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001348101828 981280002 /nfs/dbraw/zinc/28/00/02/981280002.db2.gz KDSUREFDFMWFNM-VIFPVBQESA-N 1 2 207.277 1.043 20 30 BDEDLO Cc1nc(C#N)cnc1-c1ccn2cc[nH+]c2c1 ZINC001240497782 981419341 /nfs/dbraw/zinc/41/93/41/981419341.db2.gz ZQDBNUASWFPYKN-UHFFFAOYSA-N 1 2 235.250 1.971 20 30 BDEDLO C#CCOCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001349791915 981745541 /nfs/dbraw/zinc/74/55/41/981745541.db2.gz PWPVTNFAILVDJB-UHFFFAOYSA-N 1 2 232.283 1.099 20 30 BDEDLO C=CCOC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001194342957 981782912 /nfs/dbraw/zinc/78/29/12/981782912.db2.gz HWJTXCLQBJWELA-LLVKDONJSA-N 1 2 247.298 1.573 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OC[C@@H](C)CC)CC1 ZINC001194783753 981873526 /nfs/dbraw/zinc/87/35/26/981873526.db2.gz FBODNEMYCGSHQU-LBPRGKRZSA-N 1 2 240.347 1.973 20 30 BDEDLO C#CCNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194906277 981963900 /nfs/dbraw/zinc/96/39/00/981963900.db2.gz BNXZTOPWSNGVDJ-UHFFFAOYSA-N 1 2 239.278 1.450 20 30 BDEDLO C=CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001587111647 982052252 /nfs/dbraw/zinc/05/22/52/982052252.db2.gz ZHSDTCQCYQOBQR-UHFFFAOYSA-N 1 2 243.266 1.494 20 30 BDEDLO N#C[C@H](SCC[NH+]1CCOCC1)C1CC1 ZINC001351771753 982381107 /nfs/dbraw/zinc/38/11/07/982381107.db2.gz POVHPAVKPDCHNT-NSHDSACASA-N 1 2 226.345 1.354 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(C#N)nc1 ZINC001241243101 982385303 /nfs/dbraw/zinc/38/53/03/982385303.db2.gz DYLUPARBISOXBZ-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001352464226 982532738 /nfs/dbraw/zinc/53/27/38/982532738.db2.gz CZKMPGNQTWILLI-GFCCVEGCSA-N 1 2 245.326 1.225 20 30 BDEDLO C=CCN1CC[C@@]2(CC[N@@H+](CC(F)F)C2)C1=O ZINC001273844756 983095153 /nfs/dbraw/zinc/09/51/53/983095153.db2.gz FTAYMLTUNQUHLK-GFCCVEGCSA-N 1 2 244.285 1.362 20 30 BDEDLO C=CCN1CC[C@@]2(CC[N@H+](CC(F)F)C2)C1=O ZINC001273844756 983095162 /nfs/dbraw/zinc/09/51/62/983095162.db2.gz FTAYMLTUNQUHLK-GFCCVEGCSA-N 1 2 244.285 1.362 20 30 BDEDLO N#CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001354003055 983113736 /nfs/dbraw/zinc/11/37/36/983113736.db2.gz PPVQQOGNAKSNTK-UHFFFAOYSA-N 1 2 232.287 1.104 20 30 BDEDLO Cc1noc(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201272966 983174933 /nfs/dbraw/zinc/17/49/33/983174933.db2.gz XHJROIFNQGKDSS-UHFFFAOYSA-N 1 2 215.216 1.576 20 30 BDEDLO C#Cc1ccc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201278876 983179260 /nfs/dbraw/zinc/17/92/60/983179260.db2.gz IRWYQWMIMBOMPT-UHFFFAOYSA-N 1 2 210.240 1.784 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000848278380 983376714 /nfs/dbraw/zinc/37/67/14/983376714.db2.gz BSDQEXGDAMDKGH-GFCCVEGCSA-N 1 2 245.326 1.225 20 30 BDEDLO C=CCC[C@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252587783 983840667 /nfs/dbraw/zinc/84/06/67/983840667.db2.gz XBBBBKJSNAMQEY-LBPRGKRZSA-N 1 2 235.331 1.887 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1CCn2nccc2C1 ZINC001252603618 983843680 /nfs/dbraw/zinc/84/36/80/983843680.db2.gz CFQTYLLKAXOOEI-LBPRGKRZSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1CCn2nccc2C1 ZINC001252603618 983843681 /nfs/dbraw/zinc/84/36/81/983843681.db2.gz CFQTYLLKAXOOEI-LBPRGKRZSA-N 1 2 221.304 1.026 20 30 BDEDLO C=C[C@H]1CCCCN1c1[nH+]cnc2c1cnn2C ZINC000337935578 984271647 /nfs/dbraw/zinc/27/16/47/984271647.db2.gz JVQMRSDAQHIKLT-JTQLQIEISA-N 1 2 243.314 1.908 20 30 BDEDLO COc1ncc(-c2c[nH+]cn2C)cc1C#N ZINC001243068883 984488212 /nfs/dbraw/zinc/48/82/12/984488212.db2.gz KLIONNUXBMSDDH-UHFFFAOYSA-N 1 2 214.228 1.362 20 30 BDEDLO C=C(CC)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001451435714 984891499 /nfs/dbraw/zinc/89/14/99/984891499.db2.gz CRYNVNUVHWDDHT-UHFFFAOYSA-N 1 2 207.277 1.425 20 30 BDEDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)ncc1C#N ZINC001458095752 985266774 /nfs/dbraw/zinc/26/67/74/985266774.db2.gz HUNZMFPOCGVORH-NSHDSACASA-N 1 2 241.298 1.959 20 30 BDEDLO CNc1cc(CNc2ccnc(C#N)c2)cc[nH+]1 ZINC001458634949 985337153 /nfs/dbraw/zinc/33/71/53/985337153.db2.gz SUVUGOWOHCOTHB-UHFFFAOYSA-N 1 2 239.282 1.424 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC000949614100 985450813 /nfs/dbraw/zinc/45/08/13/985450813.db2.gz QZKCJEXNAKSSNS-AAEUAGOBSA-N 1 2 236.359 1.751 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCSC)C(=O)OC ZINC001258209475 985638754 /nfs/dbraw/zinc/63/87/54/985638754.db2.gz WGIPWBPFURKUDV-ZJUUUORDSA-N 1 2 229.345 1.283 20 30 BDEDLO N#Cc1cc(-c2ccc(N)[nH+]c2)ccc1N ZINC001244113600 985823560 /nfs/dbraw/zinc/82/35/60/985823560.db2.gz BFKSUMTUKQZOBG-UHFFFAOYSA-N 1 2 210.240 1.785 20 30 BDEDLO C#Cc1cc(Nc2ccc(=O)n(CC)c2)cc[nH+]1 ZINC001212907797 985910694 /nfs/dbraw/zinc/91/06/94/985910694.db2.gz FRJYQDSOWJVJLW-UHFFFAOYSA-N 1 2 239.278 1.410 20 30 BDEDLO C#CC1(O)C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001460900128 985935168 /nfs/dbraw/zinc/93/51/68/985935168.db2.gz HFCBPWKPIFZAAZ-CQSZACIVSA-N 1 2 227.307 1.744 20 30 BDEDLO C=C[C@@H](O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001464569906 986642941 /nfs/dbraw/zinc/64/29/41/986642941.db2.gz PMXHDBDTGUGRNM-LLVKDONJSA-N 1 2 243.266 1.562 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2Cc3cncnc3C2)C1 ZINC001254659905 986703289 /nfs/dbraw/zinc/70/32/89/986703289.db2.gz DLGDIRLMVRWYQP-MWLCHTKSSA-N 1 2 214.272 1.484 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3cncnc3C2)C1 ZINC001254659905 986703303 /nfs/dbraw/zinc/70/33/03/986703303.db2.gz DLGDIRLMVRWYQP-MWLCHTKSSA-N 1 2 214.272 1.484 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@@H+]2Cc3cncnc3C2)C1 ZINC001254659906 986704148 /nfs/dbraw/zinc/70/41/48/986704148.db2.gz DLGDIRLMVRWYQP-ONGXEEELSA-N 1 2 214.272 1.484 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@H+]2Cc3cncnc3C2)C1 ZINC001254659906 986704154 /nfs/dbraw/zinc/70/41/54/986704154.db2.gz DLGDIRLMVRWYQP-ONGXEEELSA-N 1 2 214.272 1.484 20 30 BDEDLO Cc1ccc2[nH+]cc(CN(C)[C@@H](C)C#N)n2c1 ZINC001137312302 986748411 /nfs/dbraw/zinc/74/84/11/986748411.db2.gz OZTDUEBKACYCRG-NSHDSACASA-N 1 2 228.299 1.987 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]C1(c2cnn(C)c2)CC1 ZINC001255156445 986829230 /nfs/dbraw/zinc/82/92/30/986829230.db2.gz PNRRKKGZPZMSHZ-NSHDSACASA-N 1 2 218.304 1.691 20 30 BDEDLO Cc1cc(-c2cnc(C#N)nc2)c[nH+]c1N ZINC001245535819 986905138 /nfs/dbraw/zinc/90/51/38/986905138.db2.gz BOCVXUQWWOTPQT-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C=CCN(CC=C)C(=O)Cn1c[nH+]c(CC)c1 ZINC001473086917 987330109 /nfs/dbraw/zinc/33/01/09/987330109.db2.gz DJTNRPHSROSKHN-UHFFFAOYSA-N 1 2 233.315 1.646 20 30 BDEDLO CCCCCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC001473531945 987468548 /nfs/dbraw/zinc/46/85/48/987468548.db2.gz FMCMFDKTOASUPR-CYBMUJFWSA-N 1 2 245.363 1.861 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116724829 987683468 /nfs/dbraw/zinc/68/34/68/987683468.db2.gz FWMUVWNMYWZMPN-SNVBAGLBSA-N 1 2 207.277 1.479 20 30 BDEDLO C=CCC1(O)C[NH+](Cc2cccn2C2CC2)C1 ZINC001474750877 987818177 /nfs/dbraw/zinc/81/81/77/987818177.db2.gz BAVCXJAZIYEZCR-UHFFFAOYSA-N 1 2 232.327 1.946 20 30 BDEDLO C=CCO[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001117449252 987838312 /nfs/dbraw/zinc/83/83/12/987838312.db2.gz LJPXUDNDGLSUTI-LLVKDONJSA-N 1 2 249.314 1.146 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCOCC ZINC001480848111 988056145 /nfs/dbraw/zinc/05/61/45/988056145.db2.gz ITSSBGSCWVGRLO-UHFFFAOYSA-N 1 2 248.754 1.214 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCOCC ZINC001480848111 988056158 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C=C(Cl)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131301074 344230036 /nfs/dbraw/zinc/23/00/36/344230036.db2.gz IIRXBUXENUDAIX-UHFFFAOYSA-N 1 2 204.701 1.325 20 30 BDEDLO N#CCC[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000600746784 344368789 /nfs/dbraw/zinc/36/87/89/344368789.db2.gz MLDJIBNSROLBTR-MRVPVSSYSA-N 1 2 232.209 1.490 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)[C@H]1CCC[C@@H]1C#N ZINC000600860394 344383839 /nfs/dbraw/zinc/38/38/39/344383839.db2.gz VUOOOTSEHGQIQB-KOLCDFICSA-N 1 2 204.277 1.534 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)[C@H]1CCC[C@@H]1C#N ZINC000600860394 344383840 /nfs/dbraw/zinc/38/38/40/344383840.db2.gz VUOOOTSEHGQIQB-KOLCDFICSA-N 1 2 204.277 1.534 20 30 BDEDLO C=CCC1([NH2+]Cc2n[nH]c(=O)[nH]2)CCCCC1 ZINC000625935159 344571966 /nfs/dbraw/zinc/57/19/66/344571966.db2.gz PBLNTIBNHQBREB-UHFFFAOYSA-N 1 2 236.319 1.879 20 30 BDEDLO C=C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)OC ZINC000381593405 344525271 /nfs/dbraw/zinc/52/52/71/344525271.db2.gz KOGDNQULJNNXDC-HCWSGVFWSA-N 1 2 223.316 1.882 20 30 BDEDLO CC(C)(C)[C@@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000085438256 344533620 /nfs/dbraw/zinc/53/36/20/344533620.db2.gz HBGPUSRPKFZYLB-LLVKDONJSA-N 1 2 248.330 1.718 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nnn1CC ZINC000580324763 347053934 /nfs/dbraw/zinc/05/39/34/347053934.db2.gz DWBQKINYNVXOOQ-SNVBAGLBSA-N 1 2 221.308 1.388 20 30 BDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000641548804 362491298 /nfs/dbraw/zinc/49/12/98/362491298.db2.gz OKLNJLANJGSMKY-TZMCWYRMSA-N 1 2 248.326 1.967 20 30 BDEDLO C=CC[C@@H](CO)CNc1cc[nH+]cc1F ZINC000641478935 362447849 /nfs/dbraw/zinc/44/78/49/362447849.db2.gz KFXAOFWNAHQRLR-SECBINFHSA-N 1 2 210.252 1.239 20 30 BDEDLO CCOCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000181671400 347068646 /nfs/dbraw/zinc/06/86/46/347068646.db2.gz ATHQGUZNAHAJMF-UHFFFAOYSA-N 1 2 238.287 1.369 20 30 BDEDLO C[N@H+](CC#N)[C@H]1CCc2ccccc2C1 ZINC000114489077 344687634 /nfs/dbraw/zinc/68/76/34/344687634.db2.gz KESPFCOBFHWLBJ-ZDUSSCGKSA-N 1 2 200.285 1.999 20 30 BDEDLO C[N@@H+](CC#N)[C@H]1CCc2ccccc2C1 ZINC000114489077 344687635 /nfs/dbraw/zinc/68/76/35/344687635.db2.gz KESPFCOBFHWLBJ-ZDUSSCGKSA-N 1 2 200.285 1.999 20 30 BDEDLO CC(C)N1C(=O)C[N@H+](CCCC#N)CC1(C)C ZINC000075924433 344788548 /nfs/dbraw/zinc/78/85/48/344788548.db2.gz MKROWVGERSZADD-UHFFFAOYSA-N 1 2 237.347 1.621 20 30 BDEDLO CC(C)N1C(=O)C[N@@H+](CCCC#N)CC1(C)C ZINC000075924433 344788550 /nfs/dbraw/zinc/78/85/50/344788550.db2.gz MKROWVGERSZADD-UHFFFAOYSA-N 1 2 237.347 1.621 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1ccccc1Cl ZINC000076185552 344799191 /nfs/dbraw/zinc/79/91/91/344799191.db2.gz OHHMYEUWEZFBIV-CQSZACIVSA-N 1 2 247.725 1.942 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CC#N ZINC000120501498 344892373 /nfs/dbraw/zinc/89/23/73/344892373.db2.gz YBXFXLRGYYMNDT-VIFPVBQESA-N 1 2 218.260 1.814 20 30 BDEDLO Cc1cc(C)c(CO[NH+]=C(N)CCO)c(C)c1 ZINC000121387707 344923047 /nfs/dbraw/zinc/92/30/47/344923047.db2.gz XDIQBMQPLIYNSF-UHFFFAOYSA-N 1 2 236.315 1.783 20 30 BDEDLO Cc1cc(C)c(C#N)c(NCc2c[nH+]cn2C)n1 ZINC000291240404 349924193 /nfs/dbraw/zinc/92/41/93/349924193.db2.gz XJQGURUPASMBIU-UHFFFAOYSA-N 1 2 241.298 1.916 20 30 BDEDLO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)c(C#N)c[nH+]1 ZINC000425256466 192085926 /nfs/dbraw/zinc/08/59/26/192085926.db2.gz BNBUZGHJPKLCNC-UTUOFQBUSA-N 1 2 245.326 1.909 20 30 BDEDLO C=CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635070523 345239521 /nfs/dbraw/zinc/23/95/21/345239521.db2.gz UOHMPTSYZKIEST-MRVPVSSYSA-N 1 2 247.220 1.679 20 30 BDEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)CCO)o1 ZINC000136068085 345472176 /nfs/dbraw/zinc/47/21/76/345472176.db2.gz KNPIARWZMSRLIR-UHFFFAOYSA-N 1 2 241.291 1.143 20 30 BDEDLO CC[C@](C)(C#N)C(=O)NCCCn1cc[nH+]c1 ZINC000136185131 345485694 /nfs/dbraw/zinc/48/56/94/345485694.db2.gz FCJZXVYEBKNUGS-GFCCVEGCSA-N 1 2 234.303 1.329 20 30 BDEDLO C=C(C)C[NH2+][C@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000359828051 345601676 /nfs/dbraw/zinc/60/16/76/345601676.db2.gz COPUVQWJRWEDDE-NEPJUHHUSA-N 1 2 241.331 1.510 20 30 BDEDLO CN(CCCn1cc[nH+]c1)c1cnccc1C#N ZINC000091744205 345604922 /nfs/dbraw/zinc/60/49/22/345604922.db2.gz XGIOCPRCFIZFOA-UHFFFAOYSA-N 1 2 241.298 1.676 20 30 BDEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635764644 346057447 /nfs/dbraw/zinc/05/74/47/346057447.db2.gz JMBAPJLRAUOXLH-GHMZBOCLSA-N 1 2 231.299 1.690 20 30 BDEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635764644 346057449 /nfs/dbraw/zinc/05/74/49/346057449.db2.gz JMBAPJLRAUOXLH-GHMZBOCLSA-N 1 2 231.299 1.690 20 30 BDEDLO C=CCN(C)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635819280 346080430 /nfs/dbraw/zinc/08/04/30/346080430.db2.gz ZGQMMNDJOYADFG-UHFFFAOYSA-N 1 2 207.277 1.159 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635840181 346082899 /nfs/dbraw/zinc/08/28/99/346082899.db2.gz RBIAOABDWYUITD-NXEZZACHSA-N 1 2 219.288 1.548 20 30 BDEDLO C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635840181 346082901 /nfs/dbraw/zinc/08/29/01/346082901.db2.gz RBIAOABDWYUITD-NXEZZACHSA-N 1 2 219.288 1.548 20 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N#C[C@@]1(F)CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000309533920 347094964 /nfs/dbraw/zinc/09/49/64/347094964.db2.gz DQOKNBKTFCNSOI-NSHDSACASA-N 1 2 220.251 1.101 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000192221921 259391032 /nfs/dbraw/zinc/39/10/32/259391032.db2.gz DCOCWNYBWKCYEL-UHFFFAOYSA-N 1 2 236.359 1.733 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000192221921 259391033 /nfs/dbraw/zinc/39/10/33/259391033.db2.gz DCOCWNYBWKCYEL-UHFFFAOYSA-N 1 2 236.359 1.733 20 30 BDEDLO CCN(Cc1c[nH+]cn1C)C[C@@H](C)C#N ZINC000177264240 346595773 /nfs/dbraw/zinc/59/57/73/346595773.db2.gz ZYAZTTPGONIHRX-JTQLQIEISA-N 1 2 206.293 1.402 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCCCC#N ZINC000588283137 346659629 /nfs/dbraw/zinc/65/96/29/346659629.db2.gz XQDYCLVBMLUYRN-GFCCVEGCSA-N 1 2 248.330 1.862 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000590161142 346784514 /nfs/dbraw/zinc/78/45/14/346784514.db2.gz DBSWYHYMSICULD-KXUCPTDWSA-N 1 2 248.248 1.942 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000590161142 346784517 /nfs/dbraw/zinc/78/45/17/346784517.db2.gz DBSWYHYMSICULD-KXUCPTDWSA-N 1 2 248.248 1.942 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000590161141 346784701 /nfs/dbraw/zinc/78/47/01/346784701.db2.gz DBSWYHYMSICULD-BBBLOLIVSA-N 1 2 248.248 1.942 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000590161141 346784703 /nfs/dbraw/zinc/78/47/03/346784703.db2.gz DBSWYHYMSICULD-BBBLOLIVSA-N 1 2 248.248 1.942 20 30 BDEDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000192559288 347376584 /nfs/dbraw/zinc/37/65/84/347376584.db2.gz RHLOTHCQKSNCQD-SNVBAGLBSA-N 1 2 246.314 1.787 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927515 347454605 /nfs/dbraw/zinc/45/46/05/347454605.db2.gz KKLNAWJMCAGIGR-SNVBAGLBSA-N 1 2 221.304 1.970 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927515 347454609 /nfs/dbraw/zinc/45/46/09/347454609.db2.gz KKLNAWJMCAGIGR-SNVBAGLBSA-N 1 2 221.304 1.970 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927692 347455960 /nfs/dbraw/zinc/45/59/60/347455960.db2.gz OGRBSFLVCQGZQJ-LBPRGKRZSA-N 1 2 221.304 1.970 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927692 347455964 /nfs/dbraw/zinc/45/59/64/347455964.db2.gz OGRBSFLVCQGZQJ-LBPRGKRZSA-N 1 2 221.304 1.970 20 30 BDEDLO C=CCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000276527681 166259758 /nfs/dbraw/zinc/25/97/58/166259758.db2.gz ZMLLLGMLACKLGT-UHFFFAOYSA-N 1 2 207.277 1.955 20 30 BDEDLO C=CCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000276527681 166259759 /nfs/dbraw/zinc/25/97/59/166259759.db2.gz ZMLLLGMLACKLGT-UHFFFAOYSA-N 1 2 207.277 1.955 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CCc1c[nH]nn1 ZINC000590602227 347476184 /nfs/dbraw/zinc/47/61/84/347476184.db2.gz GWILRJVSFYEQLE-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CCc1c[nH]nn1 ZINC000590602227 347476186 /nfs/dbraw/zinc/47/61/86/347476186.db2.gz GWILRJVSFYEQLE-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO CC(C)CC[N@H+](CCC#N)CCc1cn[nH]n1 ZINC000590602227 347476189 /nfs/dbraw/zinc/47/61/89/347476189.db2.gz GWILRJVSFYEQLE-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO CC(C)CC[N@@H+](CCC#N)CCc1cn[nH]n1 ZINC000590602227 347476191 /nfs/dbraw/zinc/47/61/91/347476191.db2.gz GWILRJVSFYEQLE-UHFFFAOYSA-N 1 2 235.335 1.609 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000334308106 347577442 /nfs/dbraw/zinc/57/74/42/347577442.db2.gz FFZKJJMWACVYSP-MNOVXSKESA-N 1 2 206.289 1.543 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000334308106 347577444 /nfs/dbraw/zinc/57/74/44/347577444.db2.gz FFZKJJMWACVYSP-MNOVXSKESA-N 1 2 206.289 1.543 20 30 BDEDLO C=CCOCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591201925 347630046 /nfs/dbraw/zinc/63/00/46/347630046.db2.gz CFUUHGBAZVRRPL-LBPRGKRZSA-N 1 2 249.314 1.249 20 30 BDEDLO N#CCC[NH2+]Cc1cc2c([nH]c1=O)CCC2 ZINC000591739698 347694570 /nfs/dbraw/zinc/69/45/70/347694570.db2.gz UTSRJLDKIRWQMX-UHFFFAOYSA-N 1 2 217.272 1.279 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000592441766 347779141 /nfs/dbraw/zinc/77/91/41/347779141.db2.gz JDELOQPHZPLZGG-UWVGGRQHSA-N 1 2 223.320 1.278 20 30 BDEDLO C[N@@H+](Cc1ccncc1C#N)C[C@H]1CCCCO1 ZINC000592064312 347726140 /nfs/dbraw/zinc/72/61/40/347726140.db2.gz RFGFUOYYWRXIMR-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO C[N@H+](Cc1ccncc1C#N)C[C@H]1CCCCO1 ZINC000592064312 347726142 /nfs/dbraw/zinc/72/61/42/347726142.db2.gz RFGFUOYYWRXIMR-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CCO[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592068858 347726884 /nfs/dbraw/zinc/72/68/84/347726884.db2.gz JABUTIDSANFCOK-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CCO[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592068858 347726886 /nfs/dbraw/zinc/72/68/86/347726886.db2.gz JABUTIDSANFCOK-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593083427 347851452 /nfs/dbraw/zinc/85/14/52/347851452.db2.gz 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/nfs/dbraw/zinc/86/48/93/347864893.db2.gz XJBUFJXIGNLTBE-ZDUSSCGKSA-N 1 2 241.294 1.152 20 30 BDEDLO CC[C@H](C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000593480367 347896358 /nfs/dbraw/zinc/89/63/58/347896358.db2.gz VLLKYQZOWDSUMF-LLVKDONJSA-N 1 2 246.314 1.550 20 30 BDEDLO C[C@H](C#N)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593457223 347899235 /nfs/dbraw/zinc/89/92/35/347899235.db2.gz KBOYEJJFRHWKNB-SNVBAGLBSA-N 1 2 246.314 1.038 20 30 BDEDLO C=CCN(CCC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593722427 347936843 /nfs/dbraw/zinc/93/68/43/347936843.db2.gz UTCNJKBMKFVCRW-GFCCVEGCSA-N 1 2 246.314 1.762 20 30 BDEDLO CC[C@H](C#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000593736581 347938585 /nfs/dbraw/zinc/93/85/85/347938585.db2.gz CMGLXVGTDJGYSQ-MRVPVSSYSA-N 1 2 220.276 1.311 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593557614 347911156 /nfs/dbraw/zinc/91/11/56/347911156.db2.gz TZIPWBNLRXTSQE-MNOVXSKESA-N 1 2 246.314 1.286 20 30 BDEDLO N#CCCCCC(=O)NCCn1cc[nH+]c1 ZINC000593948519 347977653 /nfs/dbraw/zinc/97/76/53/347977653.db2.gz LQGIDSFRLUVOIE-UHFFFAOYSA-N 1 2 220.276 1.083 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)cn1 ZINC000594006826 347984205 /nfs/dbraw/zinc/98/42/05/347984205.db2.gz NVWCKFGXWNXUOU-JTQLQIEISA-N 1 2 219.288 1.872 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)n(C)n1 ZINC000594008993 347985154 /nfs/dbraw/zinc/98/51/54/347985154.db2.gz USEJIAQAFXNHBQ-JTQLQIEISA-N 1 2 206.293 1.510 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCCC#N ZINC000594024148 347991031 /nfs/dbraw/zinc/99/10/31/347991031.db2.gz DBNVWMLHVNNCJB-GFCCVEGCSA-N 1 2 236.319 1.030 20 30 BDEDLO C[C@@H](O)C[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000594065494 347997171 /nfs/dbraw/zinc/99/71/71/347997171.db2.gz QUBPPHZGEZQDST-MRVPVSSYSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@@H](O)C[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000594065494 347997177 /nfs/dbraw/zinc/99/71/77/347997177.db2.gz QUBPPHZGEZQDST-MRVPVSSYSA-N 1 2 237.328 1.360 20 30 BDEDLO CC[C@@H](C#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000594082772 348000495 /nfs/dbraw/zinc/00/04/95/348000495.db2.gz CLZQRLOVRZOVQC-QWRGUYRKSA-N 1 2 234.303 1.595 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593986976 347979752 /nfs/dbraw/zinc/97/97/52/347979752.db2.gz BTSCPNYMDQWBNP-OLZOCXBDSA-N 1 2 246.310 1.599 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593986976 347979754 /nfs/dbraw/zinc/97/97/54/347979754.db2.gz BTSCPNYMDQWBNP-OLZOCXBDSA-N 1 2 246.310 1.599 20 30 BDEDLO C[C@@H](NC(=O)CCCC#N)c1[nH]cc[nH+]1 ZINC000594420984 348050375 /nfs/dbraw/zinc/05/03/75/348050375.db2.gz FJPXXVIBRNMCBT-MRVPVSSYSA-N 1 2 206.249 1.281 20 30 BDEDLO C=C[C@H]([NH2+]CCC1(CSC)CC1)C(=O)OC ZINC000594714118 348104996 /nfs/dbraw/zinc/10/49/96/348104996.db2.gz XVHUVBYVFIAINX-JTQLQIEISA-N 1 2 243.372 1.837 20 30 BDEDLO C=C[C@@H]([NH2+]CCCOC(C)(C)C)C(=O)OC ZINC000594726316 348105702 /nfs/dbraw/zinc/10/57/02/348105702.db2.gz LIMSHNUYNNQNPZ-SNVBAGLBSA-N 1 2 229.320 1.509 20 30 BDEDLO C[C@@](O)(C[NH+]1CC(CC#N)C1)C(F)(F)F ZINC000594716923 348106429 /nfs/dbraw/zinc/10/64/29/348106429.db2.gz ZANLGZOPYVSZKZ-MRVPVSSYSA-N 1 2 222.210 1.145 20 30 BDEDLO C=CCOCCC[NH2+][C@H](CC)C(=O)OC ZINC000594724691 348108305 /nfs/dbraw/zinc/10/83/05/348108305.db2.gz GCTFHEWMWMVXCZ-SNVBAGLBSA-N 1 2 215.293 1.120 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000563725760 323176032 /nfs/dbraw/zinc/17/60/32/323176032.db2.gz NFGHHYNERNZAOS-WCQYABFASA-N 1 2 248.330 1.077 20 30 BDEDLO N#C[C@@H](c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000595491030 348262088 /nfs/dbraw/zinc/26/20/88/348262088.db2.gz QJVZHILGLROXNV-AWEZNQCLSA-N 1 2 238.294 1.964 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000595455700 348254689 /nfs/dbraw/zinc/25/46/89/348254689.db2.gz PBSCOQZOHFVZNW-USZNOCQGSA-N 1 2 208.280 1.970 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000595455700 348254690 /nfs/dbraw/zinc/25/46/90/348254690.db2.gz PBSCOQZOHFVZNW-USZNOCQGSA-N 1 2 208.280 1.970 20 30 BDEDLO CO[C@H](C[NH+]1CC(C)(C#N)C1)C1CCC1 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Cc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)c(C)o1 ZINC000595559450 348280977 /nfs/dbraw/zinc/28/09/77/348280977.db2.gz SCHXMLFLTUDPAL-GFCCVEGCSA-N 1 2 235.287 1.142 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C[C@H](C#N)CCC#N ZINC000595596792 348294620 /nfs/dbraw/zinc/29/46/20/348294620.db2.gz NLFBRSUPXQVOIP-JTQLQIEISA-N 1 2 217.276 1.285 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C[C@H](C#N)CCC#N ZINC000595596792 348294623 /nfs/dbraw/zinc/29/46/23/348294623.db2.gz NLFBRSUPXQVOIP-JTQLQIEISA-N 1 2 217.276 1.285 20 30 BDEDLO Cc1nnc(C[N@H+](C)CCC(C)(C)C#N)o1 ZINC000595698164 348306947 /nfs/dbraw/zinc/30/69/47/348306947.db2.gz DLYUXDFJPSWXKH-UHFFFAOYSA-N 1 2 222.292 1.750 20 30 BDEDLO Cc1nnc(C[N@@H+](C)CCC(C)(C)C#N)o1 ZINC000595698164 348306953 /nfs/dbraw/zinc/30/69/53/348306953.db2.gz DLYUXDFJPSWXKH-UHFFFAOYSA-N 1 2 222.292 1.750 20 30 BDEDLO CC[N@H+](Cc1ccn(C)c(=O)c1)[C@H](C)C#N ZINC000595811827 348351179 /nfs/dbraw/zinc/35/11/79/348351179.db2.gz BZYBNRADSZPTKE-SNVBAGLBSA-N 1 2 219.288 1.119 20 30 BDEDLO CC[N@@H+](Cc1ccn(C)c(=O)c1)[C@H](C)C#N ZINC000595811827 348351181 /nfs/dbraw/zinc/35/11/81/348351181.db2.gz BZYBNRADSZPTKE-SNVBAGLBSA-N 1 2 219.288 1.119 20 30 BDEDLO C[C@@H](C#N)N(CCn1cc[nH+]c1)C1CC1 ZINC000595712814 348324620 /nfs/dbraw/zinc/32/46/20/348324620.db2.gz PZMHGAYPURFDOU-JTQLQIEISA-N 1 2 204.277 1.260 20 30 BDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCC#N ZINC000595783004 348345143 /nfs/dbraw/zinc/34/51/43/348345143.db2.gz CYPUFURRWMZPPN-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCC#N ZINC000595783004 348345145 /nfs/dbraw/zinc/34/51/45/348345145.db2.gz CYPUFURRWMZPPN-RKDXNWHRSA-N 1 2 236.237 1.942 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834996 348368561 /nfs/dbraw/zinc/36/85/61/348368561.db2.gz ODYLZFNDYLTVNZ-LOWVWBTDSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834996 348368564 /nfs/dbraw/zinc/36/85/64/348368564.db2.gz ODYLZFNDYLTVNZ-LOWVWBTDSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835219 348369271 /nfs/dbraw/zinc/36/92/71/348369271.db2.gz PUXXULANEAXYAL-MFKMUULPSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835219 348369274 /nfs/dbraw/zinc/36/92/74/348369274.db2.gz PUXXULANEAXYAL-MFKMUULPSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000595835927 348369984 /nfs/dbraw/zinc/36/99/84/348369984.db2.gz VNKFITZGCWVCMF-ZDUSSCGKSA-N 1 2 235.331 1.234 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000595835927 348369987 /nfs/dbraw/zinc/36/99/87/348369987.db2.gz VNKFITZGCWVCMF-ZDUSSCGKSA-N 1 2 235.331 1.234 20 30 BDEDLO Cc1nc(NCC2(CC#N)CC2)cc[nH+]1 ZINC000309097134 349984992 /nfs/dbraw/zinc/98/49/92/349984992.db2.gz FIUPWEVASATNMM-UHFFFAOYSA-N 1 2 202.261 1.891 20 30 BDEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595844046 348381334 /nfs/dbraw/zinc/38/13/34/348381334.db2.gz PKTGZLYVRIZVMB-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595844046 348381335 /nfs/dbraw/zinc/38/13/35/348381335.db2.gz PKTGZLYVRIZVMB-ZDUSSCGKSA-N 1 2 231.299 1.826 20 30 BDEDLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844356 348381970 /nfs/dbraw/zinc/38/19/70/348381970.db2.gz SAOHEUHNMRSUAR-ZYHUDNBSSA-N 1 2 222.288 1.174 20 30 BDEDLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844356 348381973 /nfs/dbraw/zinc/38/19/73/348381973.db2.gz SAOHEUHNMRSUAR-ZYHUDNBSSA-N 1 2 222.288 1.174 20 30 BDEDLO C[C@@H]1[C@H](C)[N@H+](CCC#N)CCN1CCC#N ZINC000595885767 348389307 /nfs/dbraw/zinc/38/93/07/348389307.db2.gz IYUSBHNZMZOUDI-TXEJJXNPSA-N 1 2 220.320 1.208 20 30 BDEDLO C[C@@H]1[C@H](C)[N@@H+](CCC#N)CCN1CCC#N ZINC000595885767 348389308 /nfs/dbraw/zinc/38/93/08/348389308.db2.gz IYUSBHNZMZOUDI-TXEJJXNPSA-N 1 2 220.320 1.208 20 30 BDEDLO C[C@@H]1[C@H](C)N(CCC#N)CC[N@H+]1CCC#N ZINC000595885767 348389309 /nfs/dbraw/zinc/38/93/09/348389309.db2.gz IYUSBHNZMZOUDI-TXEJJXNPSA-N 1 2 220.320 1.208 20 30 BDEDLO C[C@@H]1[C@H](C)N(CCC#N)CC[N@@H+]1CCC#N ZINC000595885767 348389310 /nfs/dbraw/zinc/38/93/10/348389310.db2.gz IYUSBHNZMZOUDI-TXEJJXNPSA-N 1 2 220.320 1.208 20 30 BDEDLO N#CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908134 348397256 /nfs/dbraw/zinc/39/72/56/348397256.db2.gz FIZQPOVBLPGMEZ-TXEJJXNPSA-N 1 2 206.289 1.403 20 30 BDEDLO N#CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908134 348397261 /nfs/dbraw/zinc/39/72/61/348397261.db2.gz FIZQPOVBLPGMEZ-TXEJJXNPSA-N 1 2 206.289 1.403 20 30 BDEDLO Cc1ccc(C#N)nc1N(C)Cc1[nH+]ccn1C ZINC000596060742 348435270 /nfs/dbraw/zinc/43/52/70/348435270.db2.gz FWTFNXAEXUOCIX-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO Cc1ccc(C#N)nc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000596077860 348438553 /nfs/dbraw/zinc/43/85/53/348438553.db2.gz CLZBKFXXVXJWCI-NSHDSACASA-N 1 2 241.298 1.959 20 30 BDEDLO CO[C@@]1(C)C[C@H]1Nc1cc(C)[nH+]cc1C#N ZINC000596541053 348583158 /nfs/dbraw/zinc/58/31/58/348583158.db2.gz XWFOXTJDIJWTOW-NEPJUHHUSA-N 1 2 217.272 1.273 20 30 BDEDLO C[C@@H](NC(=O)NCC(C)(C)C#N)c1[nH+]ccn1C ZINC000596550528 348586327 /nfs/dbraw/zinc/58/63/27/348586327.db2.gz TVCBSJLINOVATJ-SECBINFHSA-N 1 2 249.318 1.330 20 30 BDEDLO Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000596532544 348569657 /nfs/dbraw/zinc/56/96/57/348569657.db2.gz ZCFWLFJZXUHQQP-YPMHNXCESA-N 1 2 243.310 1.734 20 30 BDEDLO C=CCCn1cc(C[NH2+]CC(C)(C)C#N)nn1 ZINC000597083865 348655393 /nfs/dbraw/zinc/65/53/93/348655393.db2.gz VOJHETPWUFMUNO-UHFFFAOYSA-N 1 2 233.319 1.494 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C)n1C ZINC000597086314 348656235 /nfs/dbraw/zinc/65/62/35/348656235.db2.gz KUBYGZOYNQFPNV-JTQLQIEISA-N 1 2 206.293 1.510 20 30 BDEDLO CC(C)n1cc[nH+]c1CNC[C@@H](C)C#N ZINC000597082919 348658871 /nfs/dbraw/zinc/65/88/71/348658871.db2.gz OEHAJQPEGMXYGT-JTQLQIEISA-N 1 2 206.293 1.713 20 30 BDEDLO CCn1cc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597193951 348671686 /nfs/dbraw/zinc/67/16/86/348671686.db2.gz LKHROCLFMJMDMA-UHFFFAOYSA-N 1 2 204.277 1.248 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000596948956 348638967 /nfs/dbraw/zinc/63/89/67/348638967.db2.gz PNCGVMJEDAUVOT-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000597434361 348736001 /nfs/dbraw/zinc/73/60/01/348736001.db2.gz AVFAXYIZZPGULH-MNOVXSKESA-N 1 2 246.314 1.286 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597228547 348696511 /nfs/dbraw/zinc/69/65/11/348696511.db2.gz CSQXPKSOZMLMEO-GFCCVEGCSA-N 1 2 218.304 1.762 20 30 BDEDLO Cc1n[nH]c(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597228547 348696515 /nfs/dbraw/zinc/69/65/15/348696515.db2.gz CSQXPKSOZMLMEO-GFCCVEGCSA-N 1 2 218.304 1.762 20 30 BDEDLO CCn1c[nH+]cc1CN1CC[C@](C)(C#N)C1 ZINC000597232716 348700524 /nfs/dbraw/zinc/70/05/24/348700524.db2.gz WBVHCYBKJSYSDZ-GFCCVEGCSA-N 1 2 218.304 1.639 20 30 BDEDLO COc1cc[nH+]cc1CNC(=O)[C@H](C)CC#N ZINC000597692150 348780633 /nfs/dbraw/zinc/78/06/33/348780633.db2.gz LCEQYGPDNNBQBU-SECBINFHSA-N 1 2 233.271 1.256 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)CC#N ZINC000597715393 348789377 /nfs/dbraw/zinc/78/93/77/348789377.db2.gz KASFDWOZGNIWKE-VIFPVBQESA-N 1 2 220.276 1.069 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1(C#N)CC1 ZINC000597856588 348827753 /nfs/dbraw/zinc/82/77/53/348827753.db2.gz HJOLDVLKYKIZCS-UHFFFAOYSA-N 1 2 218.260 1.062 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1(C#N)CC1 ZINC000597856588 348827755 /nfs/dbraw/zinc/82/77/55/348827755.db2.gz HJOLDVLKYKIZCS-UHFFFAOYSA-N 1 2 218.260 1.062 20 30 BDEDLO C[C@H](CC#N)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000597739068 348803316 /nfs/dbraw/zinc/80/33/16/348803316.db2.gz WYKJZKUTOJQJKC-OPRDCNLKSA-N 1 2 232.287 1.555 20 30 BDEDLO C[C@H](CC#N)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000597739069 348803536 /nfs/dbraw/zinc/80/35/36/348803536.db2.gz WYKJZKUTOJQJKC-UTLUCORTSA-N 1 2 232.287 1.555 20 30 BDEDLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H](C)C#N ZINC000598358751 348943610 /nfs/dbraw/zinc/94/36/10/348943610.db2.gz QVZBVVBSJNEHKX-GHMZBOCLSA-N 1 2 246.314 1.206 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N([C@H](C)C#N)C1CC1 ZINC000598138646 348906031 /nfs/dbraw/zinc/90/60/31/348906031.db2.gz SCKCWVVTTGBNCY-MRVPVSSYSA-N 1 2 232.287 1.164 20 30 BDEDLO C[C@H](NC(=O)C1(C#N)CCCC1)c1[nH+]ccn1C ZINC000598460965 348977241 /nfs/dbraw/zinc/97/72/41/348977241.db2.gz YDNJSHYLFFNQQM-JTQLQIEISA-N 1 2 246.314 1.681 20 30 BDEDLO C[C@@H](NC(=O)CC1(C#N)CC1)c1[nH+]ccn1C ZINC000598464001 348978335 /nfs/dbraw/zinc/97/83/35/348978335.db2.gz DULMXNGLWSRALU-SECBINFHSA-N 1 2 232.287 1.291 20 30 BDEDLO C[C@H](NC(=O)CC1(C#N)CC1)c1[nH+]ccn1C ZINC000598464002 348978471 /nfs/dbraw/zinc/97/84/71/348978471.db2.gz DULMXNGLWSRALU-VIFPVBQESA-N 1 2 232.287 1.291 20 30 BDEDLO C[C@@H](NC(=O)CC(C)(C)C#N)c1[nH+]ccn1C ZINC000598464622 348978530 /nfs/dbraw/zinc/97/85/30/348978530.db2.gz JZVFJEKSBQQYRI-SECBINFHSA-N 1 2 234.303 1.537 20 30 BDEDLO C[N@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598590602 348997539 /nfs/dbraw/zinc/99/75/39/348997539.db2.gz ROWAMBXGSREPKS-QMMMGPOBSA-N 1 2 220.263 1.484 20 30 BDEDLO C[N@@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598590602 348997541 /nfs/dbraw/zinc/99/75/41/348997541.db2.gz ROWAMBXGSREPKS-QMMMGPOBSA-N 1 2 220.263 1.484 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598419651 348956934 /nfs/dbraw/zinc/95/69/34/348956934.db2.gz JMFYUWFWHSHNAX-MFKMUULPSA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598419651 348956937 /nfs/dbraw/zinc/95/69/37/348956937.db2.gz JMFYUWFWHSHNAX-MFKMUULPSA-N 1 2 246.314 1.350 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC1(C)C ZINC000598836453 349052524 /nfs/dbraw/zinc/05/25/24/349052524.db2.gz JNFSMUZDELRRCW-GWCFXTLKSA-N 1 2 237.347 1.383 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)C#N ZINC000598738729 349036151 /nfs/dbraw/zinc/03/61/51/349036151.db2.gz QRXCXDKMXMQPSJ-RKDXNWHRSA-N 1 2 220.276 1.240 20 30 BDEDLO N#CC1(CN2CCc3[nH+]c[nH]c3C2)CC1 ZINC000599422338 349183248 /nfs/dbraw/zinc/18/32/48/349183248.db2.gz MRPJBSABTWYVEF-UHFFFAOYSA-N 1 2 202.261 1.072 20 30 BDEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C#N ZINC000601818119 349352047 /nfs/dbraw/zinc/35/20/47/349352047.db2.gz NKFMHRLDJFGOPV-GHMZBOCLSA-N 1 2 232.287 1.034 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000309022934 349316270 /nfs/dbraw/zinc/31/62/70/349316270.db2.gz YHHZGZVUYCHJJS-QMMMGPOBSA-N 1 2 221.329 1.881 20 30 BDEDLO CCc1c[nH]c(CC(=O)N(CC)C[C@@H](C)C#N)[nH+]1 ZINC000602075228 349428598 /nfs/dbraw/zinc/42/85/98/349428598.db2.gz XFLXDHQXHXOPCU-JTQLQIEISA-N 1 2 248.330 1.523 20 30 BDEDLO C=C(Br)C[N@@H+](CCO)C1CC1 ZINC000048571324 191070581 /nfs/dbraw/zinc/07/05/81/191070581.db2.gz OYTJFWSYPRNGQF-UHFFFAOYSA-N 1 2 220.110 1.352 20 30 BDEDLO C=C(Br)C[N@H+](CCO)C1CC1 ZINC000048571324 191070583 /nfs/dbraw/zinc/07/05/83/191070583.db2.gz OYTJFWSYPRNGQF-UHFFFAOYSA-N 1 2 220.110 1.352 20 30 BDEDLO CC(C)n1nc2c(cc1=O)C[N@@H+](CCC#N)CC2 ZINC000375889365 535124506 /nfs/dbraw/zinc/12/45/06/535124506.db2.gz HVYQBPIQFKCENP-UHFFFAOYSA-N 1 2 246.314 1.096 20 30 BDEDLO CC(C)n1nc2c(cc1=O)C[N@H+](CCC#N)CC2 ZINC000375889365 535124514 /nfs/dbraw/zinc/12/45/14/535124514.db2.gz HVYQBPIQFKCENP-UHFFFAOYSA-N 1 2 246.314 1.096 20 30 BDEDLO CC(C)N1CC[C@@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000336686510 350443043 /nfs/dbraw/zinc/44/30/43/350443043.db2.gz WJSLPUZILLJCJR-WDEREUQCSA-N 1 2 223.320 1.087 20 30 BDEDLO CC(C)N1CC[C@@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000336686510 350443045 /nfs/dbraw/zinc/44/30/45/350443045.db2.gz WJSLPUZILLJCJR-WDEREUQCSA-N 1 2 223.320 1.087 20 30 BDEDLO C[N@H+](CCC#N)CC(C)(C)CN1CCOCC1 ZINC000336717553 350469174 /nfs/dbraw/zinc/46/91/74/350469174.db2.gz WKHOVTDMWZYYKQ-UHFFFAOYSA-N 1 2 239.363 1.190 20 30 BDEDLO C[N@@H+](CCC#N)CC(C)(C)CN1CCOCC1 ZINC000336717553 350469177 /nfs/dbraw/zinc/46/91/77/350469177.db2.gz WKHOVTDMWZYYKQ-UHFFFAOYSA-N 1 2 239.363 1.190 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000337088582 350555592 /nfs/dbraw/zinc/55/55/92/350555592.db2.gz HKPZLTLWXVWWOW-VXGBXAGGSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1[nH+]ccn1CC ZINC000565430033 350735137 /nfs/dbraw/zinc/73/51/37/350735137.db2.gz BGQZQGWOHVGQAE-MNOVXSKESA-N 1 2 249.314 1.110 20 30 BDEDLO CC#CCN(C)Cc1[nH+]ccn1C(C)C ZINC000339756767 350817600 /nfs/dbraw/zinc/81/76/00/350817600.db2.gz NHKFQQCMUHXNEK-UHFFFAOYSA-N 1 2 205.305 1.919 20 30 BDEDLO COCCOc1ccc(C[NH2+]CCC#N)cn1 ZINC000571074620 350861102 /nfs/dbraw/zinc/86/11/02/350861102.db2.gz XIEBXGCDZWZOEI-UHFFFAOYSA-N 1 2 235.287 1.110 20 30 BDEDLO N#CC1(C[NH2+][C@H](CCO)c2ccco2)CC1 ZINC000336690466 350979449 /nfs/dbraw/zinc/97/94/49/350979449.db2.gz WIGZDGYTVHGTAS-SNVBAGLBSA-N 1 2 220.272 1.596 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343624241 350979824 /nfs/dbraw/zinc/97/98/24/350979824.db2.gz JQKPEBHBNHAQPD-JQWIXIFHSA-N 1 2 246.314 1.110 20 30 BDEDLO COCC[N@H+](CCC#N)CCc1ccncc1C ZINC000397639056 350956093 /nfs/dbraw/zinc/95/60/93/350956093.db2.gz NHBSZIDPJMNLFO-UHFFFAOYSA-N 1 2 247.342 1.795 20 30 BDEDLO COCC[N@@H+](CCC#N)CCc1ccncc1C ZINC000397639056 350956097 /nfs/dbraw/zinc/95/60/97/350956097.db2.gz NHBSZIDPJMNLFO-UHFFFAOYSA-N 1 2 247.342 1.795 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000336698752 351040908 /nfs/dbraw/zinc/04/09/08/351040908.db2.gz ORLTWKUXWPKMQM-HTQZYQBOSA-N 1 2 224.226 1.391 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000336698752 351040911 /nfs/dbraw/zinc/04/09/11/351040911.db2.gz ORLTWKUXWPKMQM-HTQZYQBOSA-N 1 2 224.226 1.391 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cnn(CCOC)c1 ZINC000271051311 351398317 /nfs/dbraw/zinc/39/83/17/351398317.db2.gz VYEUYGPFVGHOLX-UHFFFAOYSA-N 1 2 236.319 1.265 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cnn(CCOC)c1 ZINC000271051311 351398321 /nfs/dbraw/zinc/39/83/21/351398321.db2.gz VYEUYGPFVGHOLX-UHFFFAOYSA-N 1 2 236.319 1.265 20 30 BDEDLO CC[C@@H](Nc1nc(C)cc(C#N)n1)c1[nH]cc[nH+]1 ZINC000231940390 351475181 /nfs/dbraw/zinc/47/51/81/351475181.db2.gz CJGODCYDSLRRME-SNVBAGLBSA-N 1 2 242.286 1.943 20 30 BDEDLO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000336727831 351546637 /nfs/dbraw/zinc/54/66/37/351546637.db2.gz GUDRMRMREXJFSI-AXFHLTTASA-N 1 2 224.304 1.610 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613305632 363087086 /nfs/dbraw/zinc/08/70/86/363087086.db2.gz VMWHRAIYVJUVGU-SNVBAGLBSA-N 1 2 233.315 1.549 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613305632 363087090 /nfs/dbraw/zinc/08/70/90/363087090.db2.gz VMWHRAIYVJUVGU-SNVBAGLBSA-N 1 2 233.315 1.549 20 30 BDEDLO CC(C)(O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405127876 351856794 /nfs/dbraw/zinc/85/67/94/351856794.db2.gz PASDNJCCVHWTSN-UHFFFAOYSA-N 1 2 216.284 1.645 20 30 BDEDLO CC(C)(O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405127876 351856797 /nfs/dbraw/zinc/85/67/97/351856797.db2.gz PASDNJCCVHWTSN-UHFFFAOYSA-N 1 2 216.284 1.645 20 30 BDEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CCC#N ZINC000281393886 351889410 /nfs/dbraw/zinc/88/94/10/351889410.db2.gz NBCHUVDRYQMTTQ-GFCCVEGCSA-N 1 2 218.304 1.861 20 30 BDEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CCC#N ZINC000281393886 351889412 /nfs/dbraw/zinc/88/94/12/351889412.db2.gz NBCHUVDRYQMTTQ-GFCCVEGCSA-N 1 2 218.304 1.861 20 30 BDEDLO NC(=[NH+]OCc1ccccc1F)[C@@H]1CCCO1 ZINC000284554973 351999913 /nfs/dbraw/zinc/99/99/13/351999913.db2.gz WBITXJRUCNVWGM-NSHDSACASA-N 1 2 238.262 1.794 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)Nc1c[nH+]ccc1OC ZINC000285955064 352067454 /nfs/dbraw/zinc/06/74/54/352067454.db2.gz KHRSDKMGXUSQJM-LBPRGKRZSA-N 1 2 233.271 1.969 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000289423925 352184922 /nfs/dbraw/zinc/18/49/22/352184922.db2.gz UZOITYWMPJDSHP-UHFFFAOYSA-N 1 2 242.322 1.378 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000289423925 352184926 /nfs/dbraw/zinc/18/49/26/352184926.db2.gz UZOITYWMPJDSHP-UHFFFAOYSA-N 1 2 242.322 1.378 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000289815670 352198990 /nfs/dbraw/zinc/19/89/90/352198990.db2.gz TUEAIMUXCWYKML-GFCCVEGCSA-N 1 2 242.322 1.330 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000289815670 352198994 /nfs/dbraw/zinc/19/89/94/352198994.db2.gz TUEAIMUXCWYKML-GFCCVEGCSA-N 1 2 242.322 1.330 20 30 BDEDLO Cc1c[nH]nc1C[NH+]1CCC(C)(C#N)CC1 ZINC000290790319 352242423 /nfs/dbraw/zinc/24/24/23/352242423.db2.gz DAYQRLGZYXAVEQ-UHFFFAOYSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1cn[nH]c1C[NH+]1CCC(C)(C#N)CC1 ZINC000290790319 352242425 /nfs/dbraw/zinc/24/24/25/352242425.db2.gz DAYQRLGZYXAVEQ-UHFFFAOYSA-N 1 2 218.304 1.844 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000290336801 352221492 /nfs/dbraw/zinc/22/14/92/352221492.db2.gz DEXPBUPWUYHXOW-VIFPVBQESA-N 1 2 229.287 1.549 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000290336801 352221496 /nfs/dbraw/zinc/22/14/96/352221496.db2.gz DEXPBUPWUYHXOW-VIFPVBQESA-N 1 2 229.287 1.549 20 30 BDEDLO CC(C)C(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411135208 191162314 /nfs/dbraw/zinc/16/23/14/191162314.db2.gz KSUJNRNHZOQDNU-GFCCVEGCSA-N 1 2 237.347 1.479 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(COC)CC1 ZINC000300944234 363177300 /nfs/dbraw/zinc/17/73/00/363177300.db2.gz DXMKZDNVWLERRA-LLVKDONJSA-N 1 2 227.304 1.072 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCOCC(F)F ZINC000292046273 352299161 /nfs/dbraw/zinc/29/91/61/352299161.db2.gz AWPMXRTTWDDNHG-UHFFFAOYSA-N 1 2 218.247 1.670 20 30 BDEDLO C=CC[N@H+](CCC#N)CCOCC(F)F ZINC000292046273 352299163 /nfs/dbraw/zinc/29/91/63/352299163.db2.gz AWPMXRTTWDDNHG-UHFFFAOYSA-N 1 2 218.247 1.670 20 30 BDEDLO C=CCNC(=O)C[NH2+]Cc1ncc(Cl)s1 ZINC000336739583 352361758 /nfs/dbraw/zinc/36/17/58/352361758.db2.gz SPRGKJHDPPYZOF-UHFFFAOYSA-N 1 2 245.735 1.188 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000044766600 352393955 /nfs/dbraw/zinc/39/39/55/352393955.db2.gz AWLOXYPTZUIFHY-LLVKDONJSA-N 1 2 248.330 1.718 20 30 BDEDLO C[C@H](C#N)C[N@H+](Cc1ccnc(N)c1)C1CC1 ZINC000411405573 191184657 /nfs/dbraw/zinc/18/46/57/191184657.db2.gz ZRTUTZADJNTBCG-SNVBAGLBSA-N 1 2 230.315 1.618 20 30 BDEDLO C[C@H](C#N)C[N@@H+](Cc1ccnc(N)c1)C1CC1 ZINC000411405573 191184659 /nfs/dbraw/zinc/18/46/59/191184659.db2.gz ZRTUTZADJNTBCG-SNVBAGLBSA-N 1 2 230.315 1.618 20 30 BDEDLO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)C[C@@H](C)[S@@]1=O ZINC000411716429 191206810 /nfs/dbraw/zinc/20/68/10/191206810.db2.gz FYMWHBCTYGGTRE-QHSOUUPTSA-N 1 2 242.388 1.910 20 30 BDEDLO CC[C@@H]1C[N@H+]([C@H](C)CCC#N)C[C@@H](C)[S@@]1=O ZINC000411716429 191206813 /nfs/dbraw/zinc/20/68/13/191206813.db2.gz FYMWHBCTYGGTRE-QHSOUUPTSA-N 1 2 242.388 1.910 20 30 BDEDLO C#CCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000277079669 187751149 /nfs/dbraw/zinc/75/11/49/187751149.db2.gz MHXTZRMJNOBOGJ-NSHDSACASA-N 1 2 219.288 1.191 20 30 BDEDLO C=CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000028957332 166354721 /nfs/dbraw/zinc/35/47/21/166354721.db2.gz ABXIURKZPIWOPL-CYBMUJFWSA-N 1 2 219.284 1.952 20 30 BDEDLO C=CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000028957332 166354723 /nfs/dbraw/zinc/35/47/23/166354723.db2.gz ABXIURKZPIWOPL-CYBMUJFWSA-N 1 2 219.284 1.952 20 30 BDEDLO C[C@H](O)[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000412077241 191253020 /nfs/dbraw/zinc/25/30/20/191253020.db2.gz OHYZRZOANUSLDE-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000412077241 191253022 /nfs/dbraw/zinc/25/30/22/191253022.db2.gz OHYZRZOANUSLDE-SMDDNHRTSA-N 1 2 246.310 1.140 20 30 BDEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)NCC#N ZINC000334314946 352946053 /nfs/dbraw/zinc/94/60/53/352946053.db2.gz MVCUGPMUZBAIOL-JTQLQIEISA-N 1 2 229.283 1.203 20 30 BDEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)NCC#N ZINC000334314946 352946054 /nfs/dbraw/zinc/94/60/54/352946054.db2.gz MVCUGPMUZBAIOL-JTQLQIEISA-N 1 2 229.283 1.203 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000223053619 353129240 /nfs/dbraw/zinc/12/92/40/353129240.db2.gz DILJISLLHCQISZ-ZCFIWIBFSA-N 1 2 200.694 1.908 20 30 BDEDLO CC(C)N1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000336249192 535201352 /nfs/dbraw/zinc/20/13/52/535201352.db2.gz RVDUOUREZGISIA-RYUDHWBXSA-N 1 2 235.331 1.231 20 30 BDEDLO CC(C)N1CC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000336249192 535201357 /nfs/dbraw/zinc/20/13/57/535201357.db2.gz RVDUOUREZGISIA-RYUDHWBXSA-N 1 2 235.331 1.231 20 30 BDEDLO CC(C)(C)n1cc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000330906316 353198508 /nfs/dbraw/zinc/19/85/08/353198508.db2.gz RZQHMQLKFJNGAB-UHFFFAOYSA-N 1 2 247.302 1.866 20 30 BDEDLO CC(C)(C)n1cc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000330906316 353198509 /nfs/dbraw/zinc/19/85/09/353198509.db2.gz RZQHMQLKFJNGAB-UHFFFAOYSA-N 1 2 247.302 1.866 20 30 BDEDLO CC(C)(CCC#N)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000331170651 353225215 /nfs/dbraw/zinc/22/52/15/353225215.db2.gz NXEFDVPCOUBVRV-UHFFFAOYSA-N 1 2 249.318 1.129 20 30 BDEDLO CC(C)(CCC#N)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000331170651 353225218 /nfs/dbraw/zinc/22/52/18/353225218.db2.gz NXEFDVPCOUBVRV-UHFFFAOYSA-N 1 2 249.318 1.129 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N(CC(C)C)C1CC1 ZINC000072906343 353283738 /nfs/dbraw/zinc/28/37/38/353283738.db2.gz OATITULTRHYCBO-UHFFFAOYSA-N 1 2 246.354 1.202 20 30 BDEDLO C=C[C@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000128304446 353287116 /nfs/dbraw/zinc/28/71/16/353287116.db2.gz ZWBUQAYNOFTDPQ-JTQLQIEISA-N 1 2 248.330 1.521 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccc(NC(C)=O)c1 ZINC000076185538 353332118 /nfs/dbraw/zinc/33/21/18/353332118.db2.gz AXJVXLJFSCVAIN-UHFFFAOYSA-N 1 2 240.306 1.713 20 30 BDEDLO COc1ncccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054825480 353346921 /nfs/dbraw/zinc/34/69/21/353346921.db2.gz GGWQPUOQYLCAOO-PWSUYJOCSA-N 1 2 231.299 1.872 20 30 BDEDLO C#CCN(CC#C)Cc1[nH+]ccc(OC)c1OC ZINC000190617046 353406590 /nfs/dbraw/zinc/40/65/90/353406590.db2.gz ITQXRYXVCXEANB-UHFFFAOYSA-N 1 2 244.294 1.167 20 30 BDEDLO C=CC[C@H](CC)NC(=O)NCc1[nH+]ccn1C ZINC000281864183 353455139 /nfs/dbraw/zinc/45/51/39/353455139.db2.gz NBMBRKHXLHKLKP-JTQLQIEISA-N 1 2 236.319 1.574 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)o2)C1=O ZINC000281144982 353429867 /nfs/dbraw/zinc/42/98/67/353429867.db2.gz FAJYLLBYNWMLJO-CYBMUJFWSA-N 1 2 248.326 1.807 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)o2)C1=O ZINC000281144982 353429871 /nfs/dbraw/zinc/42/98/71/353429871.db2.gz FAJYLLBYNWMLJO-CYBMUJFWSA-N 1 2 248.326 1.807 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000281349494 353435819 /nfs/dbraw/zinc/43/58/19/353435819.db2.gz TZUSFFNELKWLQK-ZDUSSCGKSA-N 1 2 245.326 1.300 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000281349494 353435821 /nfs/dbraw/zinc/43/58/21/353435821.db2.gz TZUSFFNELKWLQK-ZDUSSCGKSA-N 1 2 245.326 1.300 20 30 BDEDLO C#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000282878252 353485259 /nfs/dbraw/zinc/48/52/59/353485259.db2.gz VEKXULWGUCGZAZ-QRGHLMKCSA-N 1 2 217.272 1.197 20 30 BDEDLO C#CC[NH+](CC#C)Cc1scnc1C ZINC000093475588 353487396 /nfs/dbraw/zinc/48/73/96/353487396.db2.gz RWODBGOBBIYAHM-UHFFFAOYSA-N 1 2 204.298 1.520 20 30 BDEDLO C=CCOCCC[NH2+]C(C)(C)C(=O)OCC ZINC000336778410 353512796 /nfs/dbraw/zinc/51/27/96/353512796.db2.gz LHVVUXMOVSUJER-UHFFFAOYSA-N 1 2 229.320 1.510 20 30 BDEDLO C=CC[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000183432925 353550074 /nfs/dbraw/zinc/55/00/74/353550074.db2.gz AUTUCCPENAXVOI-NSHDSACASA-N 1 2 235.287 1.449 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)NCCc1ccccc1C ZINC000192229658 353538307 /nfs/dbraw/zinc/53/83/07/353538307.db2.gz UDBLFUNCGCQAJH-UHFFFAOYSA-N 1 2 244.338 1.219 20 30 BDEDLO C#CC[N@H+](C)CC(=O)NCCc1ccccc1C ZINC000192229658 353538310 /nfs/dbraw/zinc/53/83/10/353538310.db2.gz UDBLFUNCGCQAJH-UHFFFAOYSA-N 1 2 244.338 1.219 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183353786 353541170 /nfs/dbraw/zinc/54/11/70/353541170.db2.gz WJYQOCJQQQGJPQ-UHFFFAOYSA-N 1 2 242.278 1.972 20 30 BDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccccc1 ZINC000192175140 353546597 /nfs/dbraw/zinc/54/65/97/353546597.db2.gz JQFUJNTWACQCPF-CXAGYDPISA-N 1 2 249.379 1.737 20 30 BDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccccc1 ZINC000192175140 353546599 /nfs/dbraw/zinc/54/65/99/353546599.db2.gz JQFUJNTWACQCPF-CXAGYDPISA-N 1 2 249.379 1.737 20 30 BDEDLO CC#CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287409671 353582612 /nfs/dbraw/zinc/58/26/12/353582612.db2.gz FBNHHXJRKDHABI-UHFFFAOYSA-N 1 2 217.272 1.843 20 30 BDEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1C)C(C)(C)C ZINC000288858522 353611066 /nfs/dbraw/zinc/61/10/66/353611066.db2.gz MVOPNTPPOXMRMM-JTQLQIEISA-N 1 2 248.330 1.267 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1cc(C)on1 ZINC000293654629 353759208 /nfs/dbraw/zinc/75/92/08/353759208.db2.gz YFPMOXMHNPNWGW-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1cc(C)on1 ZINC000293654629 353759211 /nfs/dbraw/zinc/75/92/11/353759211.db2.gz YFPMOXMHNPNWGW-UHFFFAOYSA-N 1 2 210.277 1.617 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000293909821 353763083 /nfs/dbraw/zinc/76/30/83/353763083.db2.gz DASFGVLOOCEBIF-UHFFFAOYSA-N 1 2 246.301 1.750 20 30 BDEDLO CC#CCCCC(=O)NCc1c[nH+]ccc1OC ZINC000294621185 353786589 /nfs/dbraw/zinc/78/65/89/353786589.db2.gz OPWWRWMXPHNZPT-UHFFFAOYSA-N 1 2 246.310 1.900 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000293224492 353743220 /nfs/dbraw/zinc/74/32/20/353743220.db2.gz RXLDUYGSZKZDRX-AWEZNQCLSA-N 1 2 244.338 1.771 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000293224492 353743223 /nfs/dbraw/zinc/74/32/23/353743223.db2.gz RXLDUYGSZKZDRX-AWEZNQCLSA-N 1 2 244.338 1.771 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000293348412 353745633 /nfs/dbraw/zinc/74/56/33/353745633.db2.gz ZCKAKMSIURGTER-LBPRGKRZSA-N 1 2 230.311 1.969 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000293348412 353745635 /nfs/dbraw/zinc/74/56/35/353745635.db2.gz ZCKAKMSIURGTER-LBPRGKRZSA-N 1 2 230.311 1.969 20 30 BDEDLO C#CCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296100140 353817831 /nfs/dbraw/zinc/81/78/31/353817831.db2.gz FXPWICZIPKAERZ-JTQLQIEISA-N 1 2 246.314 1.146 20 30 BDEDLO C#CCO[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000296871920 353829869 /nfs/dbraw/zinc/82/98/69/353829869.db2.gz ZUJGWRJJEYWJLZ-GHMZBOCLSA-N 1 2 249.314 1.261 20 30 BDEDLO C#C[C@H](C)[NH2+]Cc1c(F)ccc(O)c1F ZINC000294804352 353789864 /nfs/dbraw/zinc/78/98/64/353789864.db2.gz WDEWGEQDUGKTOK-ZETCQYMHSA-N 1 2 211.211 1.782 20 30 BDEDLO C=CC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000294957910 353794416 /nfs/dbraw/zinc/79/44/16/353794416.db2.gz YWKZCSXCXIVXTD-PWSUYJOCSA-N 1 2 243.314 1.843 20 30 BDEDLO C#CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186074222 353869590 /nfs/dbraw/zinc/86/95/90/353869590.db2.gz ITBFZKCYOKXNNR-OAHLLOKOSA-N 1 2 229.323 1.953 20 30 BDEDLO C#CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186074222 353869593 /nfs/dbraw/zinc/86/95/93/353869593.db2.gz ITBFZKCYOKXNNR-OAHLLOKOSA-N 1 2 229.323 1.953 20 30 BDEDLO N#CC1(C[N@H+]2C[C@H](F)C[C@@H]2CO)CCC1 ZINC000336256332 181028608 /nfs/dbraw/zinc/02/86/08/181028608.db2.gz ZNQQAJCYBXURGE-NXEZZACHSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CC1(C[N@@H+]2C[C@H](F)C[C@@H]2CO)CCC1 ZINC000336256332 181028611 /nfs/dbraw/zinc/02/86/11/181028611.db2.gz ZNQQAJCYBXURGE-NXEZZACHSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000123766876 181032496 /nfs/dbraw/zinc/03/24/96/181032496.db2.gz LLJNCLPRBNWUSZ-UHFFFAOYSA-N 1 2 249.339 1.583 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CC[C@H](C)C1)C(=O)OC ZINC000301011552 363294635 /nfs/dbraw/zinc/29/46/35/363294635.db2.gz GHUUKRKKZFPNRL-AXFHLTTASA-N 1 2 211.305 1.740 20 30 BDEDLO C=C1CC[NH+](Cc2cnnn2CC)CC1 ZINC000334565927 354087143 /nfs/dbraw/zinc/08/71/43/354087143.db2.gz ZILWQYNYIMKBTF-UHFFFAOYSA-N 1 2 206.293 1.450 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449667545 202000192 /nfs/dbraw/zinc/00/01/92/202000192.db2.gz VCAOCQWSNJURJK-DCAQKATOSA-N 1 2 224.304 1.608 20 30 BDEDLO C=CCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000344543643 354312476 /nfs/dbraw/zinc/31/24/76/354312476.db2.gz GFSWEMFSGRHCGC-NSHDSACASA-N 1 2 233.315 1.528 20 30 BDEDLO Cc1cnc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000332127856 134004072 /nfs/dbraw/zinc/00/40/72/134004072.db2.gz JBZUDDMHXBAXOX-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000020294758 181103769 /nfs/dbraw/zinc/10/37/69/181103769.db2.gz UDYBMLNGXDYWJM-GFCCVEGCSA-N 1 2 247.273 1.147 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000020294758 181103770 /nfs/dbraw/zinc/10/37/70/181103770.db2.gz UDYBMLNGXDYWJM-GFCCVEGCSA-N 1 2 247.273 1.147 20 30 BDEDLO N#Cc1ccc(OCCOCc2[nH]cc[nH+]2)cc1 ZINC000123762902 181127359 /nfs/dbraw/zinc/12/73/59/181127359.db2.gz MYCWIFWVQSQXPM-UHFFFAOYSA-N 1 2 243.266 1.877 20 30 BDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000367849121 181129743 /nfs/dbraw/zinc/12/97/43/181129743.db2.gz LRUUDHBATQJBNV-MCIONIFRSA-N 1 2 244.294 1.065 20 30 BDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000367849121 181129745 /nfs/dbraw/zinc/12/97/45/181129745.db2.gz LRUUDHBATQJBNV-MCIONIFRSA-N 1 2 244.294 1.065 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@]1(C)CCCS1)C(=O)OC ZINC000301044539 363374713 /nfs/dbraw/zinc/37/47/13/363374713.db2.gz MPZQLMBDEVCRJJ-GXSJLCMTSA-N 1 2 229.345 1.589 20 30 BDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(C)(C)C#N ZINC000345722701 354743708 /nfs/dbraw/zinc/74/37/08/354743708.db2.gz ATLLGXLLAVDJCU-GDLVEWKHSA-N 1 2 242.388 1.768 20 30 BDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(C)(C)C#N ZINC000345722701 354743711 /nfs/dbraw/zinc/74/37/11/354743711.db2.gz ATLLGXLLAVDJCU-GDLVEWKHSA-N 1 2 242.388 1.768 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)CCOCC ZINC000301050038 363381611 /nfs/dbraw/zinc/38/16/11/363381611.db2.gz SBHMIHGPWKRSSL-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)CCOCC ZINC000301050038 363381614 /nfs/dbraw/zinc/38/16/14/363381614.db2.gz SBHMIHGPWKRSSL-JTQLQIEISA-N 1 2 215.293 1.072 20 30 BDEDLO N#Cc1cnn(Cc2cn3ccccc3[nH+]2)c1 ZINC000336692203 181165658 /nfs/dbraw/zinc/16/56/58/181165658.db2.gz HRXGXNWVVHWMFC-UHFFFAOYSA-N 1 2 223.239 1.451 20 30 BDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)[nH+]cn1 ZINC000435602274 191320758 /nfs/dbraw/zinc/32/07/58/191320758.db2.gz CEPVKSMLZWZIBZ-WCQYABFASA-N 1 2 233.315 1.600 20 30 BDEDLO CC[C@H](CC#N)NC(=O)Cc1[nH]c[nH+]c1C ZINC000346878785 355143254 /nfs/dbraw/zinc/14/32/54/355143254.db2.gz SOEJOPPUQLTOOZ-SECBINFHSA-N 1 2 220.276 1.069 20 30 BDEDLO CC[C@H](CC#N)NC(=O)Cc1[nH+]c[nH]c1C ZINC000346878785 355143257 /nfs/dbraw/zinc/14/32/57/355143257.db2.gz SOEJOPPUQLTOOZ-SECBINFHSA-N 1 2 220.276 1.069 20 30 BDEDLO C=CCCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000346958536 355168936 /nfs/dbraw/zinc/16/89/36/355168936.db2.gz QYXKAWRLTPJHHS-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO C=C[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413182404 191360690 /nfs/dbraw/zinc/36/06/90/191360690.db2.gz GLHVUSWLOXHSAS-IUCAKERBSA-N 1 2 222.292 1.256 20 30 BDEDLO C=C[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413182404 191360692 /nfs/dbraw/zinc/36/06/92/191360692.db2.gz GLHVUSWLOXHSAS-IUCAKERBSA-N 1 2 222.292 1.256 20 30 BDEDLO CC[N@@H+](Cc1c(C)cnn1C)C[C@H](C)C#N ZINC000347604768 355254035 /nfs/dbraw/zinc/25/40/35/355254035.db2.gz DUMHWUCNNSHWLP-SNVBAGLBSA-N 1 2 220.320 1.710 20 30 BDEDLO CC[N@H+](Cc1c(C)cnn1C)C[C@H](C)C#N ZINC000347604768 355254040 /nfs/dbraw/zinc/25/40/40/355254040.db2.gz DUMHWUCNNSHWLP-SNVBAGLBSA-N 1 2 220.320 1.710 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413310475 191370968 /nfs/dbraw/zinc/37/09/68/191370968.db2.gz NJLUNBDEYMGUTQ-QMMMGPOBSA-N 1 2 220.276 1.010 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413310475 191370971 /nfs/dbraw/zinc/37/09/71/191370971.db2.gz NJLUNBDEYMGUTQ-QMMMGPOBSA-N 1 2 220.276 1.010 20 30 BDEDLO C=C(C)CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413311401 191371236 /nfs/dbraw/zinc/37/12/36/191371236.db2.gz IKBMYTRKNWXSCY-JTQLQIEISA-N 1 2 236.319 1.069 20 30 BDEDLO C=C(C)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413311401 191371238 /nfs/dbraw/zinc/37/12/38/191371238.db2.gz IKBMYTRKNWXSCY-JTQLQIEISA-N 1 2 236.319 1.069 20 30 BDEDLO C[C@@H](CO)C[N@H+](CCC#N)Cc1ccco1 ZINC000121123410 355615372 /nfs/dbraw/zinc/61/53/72/355615372.db2.gz ZDRBCGQSNMYBSF-LLVKDONJSA-N 1 2 222.288 1.624 20 30 BDEDLO C[C@@H](CO)C[N@@H+](CCC#N)Cc1ccco1 ZINC000121123410 355615375 /nfs/dbraw/zinc/61/53/75/355615375.db2.gz ZDRBCGQSNMYBSF-LLVKDONJSA-N 1 2 222.288 1.624 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000371014685 355796703 /nfs/dbraw/zinc/79/67/03/355796703.db2.gz AVCVJFVJDRXJAC-VIFPVBQESA-N 1 2 239.706 1.314 20 30 BDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255324 355859814 /nfs/dbraw/zinc/85/98/14/355859814.db2.gz AXCBUWOTLGGLDO-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO O=C(N[C@H]1CC=CCC1)N1CCn2cc[nH+]c2C1 ZINC000329455571 355922619 /nfs/dbraw/zinc/92/26/19/355922619.db2.gz PTNVAAXKQWFTPY-NSHDSACASA-N 1 2 246.314 1.721 20 30 BDEDLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CO1 ZINC000329538444 355928745 /nfs/dbraw/zinc/92/87/45/355928745.db2.gz CAVXYSZWKRILSW-UTLUCORTSA-N 1 2 249.314 1.649 20 30 BDEDLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CO1 ZINC000329538444 355928749 /nfs/dbraw/zinc/92/87/49/355928749.db2.gz CAVXYSZWKRILSW-UTLUCORTSA-N 1 2 249.314 1.649 20 30 BDEDLO CN(CC1CC1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329536919 355929125 /nfs/dbraw/zinc/92/91/25/355929125.db2.gz BHCOFHHKMBIOSO-SNVBAGLBSA-N 1 2 248.330 1.523 20 30 BDEDLO CN(CC1CC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329536919 355929129 /nfs/dbraw/zinc/92/91/29/355929129.db2.gz BHCOFHHKMBIOSO-SNVBAGLBSA-N 1 2 248.330 1.523 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000609561808 355892698 /nfs/dbraw/zinc/89/26/98/355892698.db2.gz QJNGPNHLMFBQCK-JGVFFNPUSA-N 1 2 249.236 1.041 20 30 BDEDLO Cc1cc(NC(=O)N[C@]2(C)CCCOC2)cc[nH+]1 ZINC000329144670 355899564 /nfs/dbraw/zinc/89/95/64/355899564.db2.gz NEDUCHAFNNTPOB-CYBMUJFWSA-N 1 2 249.314 1.707 20 30 BDEDLO CC1(C)C[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000329668828 355990887 /nfs/dbraw/zinc/99/08/87/355990887.db2.gz RDDZGYJQGXBSJK-SNVBAGLBSA-N 1 2 248.330 1.659 20 30 BDEDLO CC1(C)C[C@@H]1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329668828 355990893 /nfs/dbraw/zinc/99/08/93/355990893.db2.gz RDDZGYJQGXBSJK-SNVBAGLBSA-N 1 2 248.330 1.659 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)CC2)cc1F ZINC000191992227 355945028 /nfs/dbraw/zinc/94/50/28/355945028.db2.gz GJVYVDVCLWVANZ-UHFFFAOYSA-N 1 2 247.273 1.019 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)CC2)cc1F ZINC000191992227 355945031 /nfs/dbraw/zinc/94/50/31/355945031.db2.gz GJVYVDVCLWVANZ-UHFFFAOYSA-N 1 2 247.273 1.019 20 30 BDEDLO [O-]C(NCC1CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330106535 356171245 /nfs/dbraw/zinc/17/12/45/356171245.db2.gz LAGVCNOJULTWFE-SNVBAGLBSA-N 1 2 234.303 1.112 20 30 BDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CC1 ZINC000330106535 356171247 /nfs/dbraw/zinc/17/12/47/356171247.db2.gz LAGVCNOJULTWFE-SNVBAGLBSA-N 1 2 234.303 1.112 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCCO1 ZINC000330098018 356171449 /nfs/dbraw/zinc/17/14/49/356171449.db2.gz YUSNRNATQDNINQ-LLVKDONJSA-N 1 2 237.303 1.488 20 30 BDEDLO C=CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000617610932 356177914 /nfs/dbraw/zinc/17/79/14/356177914.db2.gz FJIVZNYSMPDXRQ-JTQLQIEISA-N 1 2 207.277 1.527 20 30 BDEDLO C[C@@H]1C[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330177912 356177931 /nfs/dbraw/zinc/17/79/31/356177931.db2.gz LCTAMHMJMKJTLL-GMTAPVOTSA-N 1 2 248.330 1.358 20 30 BDEDLO C=CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000617615049 356184983 /nfs/dbraw/zinc/18/49/83/356184983.db2.gz ZMRUSLRSRCESLA-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO C=CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000617617033 356192774 /nfs/dbraw/zinc/19/27/74/356192774.db2.gz SGNCQPQNPKPLBK-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO C[C@H]1C[N@H+](CCCCC#N)CC[S@]1=O ZINC000351913545 356197670 /nfs/dbraw/zinc/19/76/70/356197670.db2.gz UGFYNCRBUWOAPV-IINYFYTJSA-N 1 2 214.334 1.133 20 30 BDEDLO C[C@H]1C[N@@H+](CCCCC#N)CC[S@]1=O ZINC000351913545 356197672 /nfs/dbraw/zinc/19/76/72/356197672.db2.gz UGFYNCRBUWOAPV-IINYFYTJSA-N 1 2 214.334 1.133 20 30 BDEDLO C=CCCc1noc([C@@H]2C[N@H+](CC)CCO2)n1 ZINC000420503375 192245439 /nfs/dbraw/zinc/24/54/39/192245439.db2.gz MEKCLFMQJHMJFK-JTQLQIEISA-N 1 2 237.303 1.581 20 30 BDEDLO C=CCCc1noc([C@@H]2C[N@@H+](CC)CCO2)n1 ZINC000420503375 192245442 /nfs/dbraw/zinc/24/54/42/192245442.db2.gz MEKCLFMQJHMJFK-JTQLQIEISA-N 1 2 237.303 1.581 20 30 BDEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC1(C#N)CCC1 ZINC000336195789 134125756 /nfs/dbraw/zinc/12/57/56/134125756.db2.gz DSYIHPVVZDMRRK-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC1(C#N)CCC1 ZINC000336195789 134125757 /nfs/dbraw/zinc/12/57/57/134125757.db2.gz DSYIHPVVZDMRRK-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO Cc1c(Cl)c(C[NH2+]CCCC#N)nn1C ZINC000421338776 192319220 /nfs/dbraw/zinc/31/92/20/192319220.db2.gz FRKFJOSQSLOSSL-UHFFFAOYSA-N 1 2 226.711 1.775 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(CC2CC2)no1 ZINC000639666301 356580564 /nfs/dbraw/zinc/58/05/64/356580564.db2.gz PYFWYTJPNLPAIP-MNOVXSKESA-N 1 2 249.314 1.455 20 30 BDEDLO N#CC1(C[N@@H+]2CCOCC23CCC3)CC1 ZINC000336438744 134147218 /nfs/dbraw/zinc/14/72/18/134147218.db2.gz ZWPIPPURQPVOSC-UHFFFAOYSA-N 1 2 206.289 1.545 20 30 BDEDLO N#CC1(C[N@H+]2CCOCC23CCC3)CC1 ZINC000336438744 134147219 /nfs/dbraw/zinc/14/72/19/134147219.db2.gz ZWPIPPURQPVOSC-UHFFFAOYSA-N 1 2 206.289 1.545 20 30 BDEDLO C[C@H]1C[C@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000352714219 134151506 /nfs/dbraw/zinc/15/15/06/134151506.db2.gz BCRKJNYBMPQXTB-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@H]1C[C@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000352714219 134151507 /nfs/dbraw/zinc/15/15/07/134151507.db2.gz BCRKJNYBMPQXTB-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO CCn1cc[nH+]c1CNc1ccncc1C#N ZINC000399421466 356698695 /nfs/dbraw/zinc/69/86/95/356698695.db2.gz FQVGVXMUTPMKSZ-UHFFFAOYSA-N 1 2 227.271 1.204 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354980012 134171243 /nfs/dbraw/zinc/17/12/43/134171243.db2.gz LTHLMZMGCLPFFB-KBPBESRZSA-N 1 2 242.322 1.750 20 30 BDEDLO C=C(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000355712439 538797829 /nfs/dbraw/zinc/79/78/29/538797829.db2.gz JFEKHWQUQROMSU-UHFFFAOYSA-N 1 2 207.277 1.377 20 30 BDEDLO C=C(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000355712439 538797839 /nfs/dbraw/zinc/79/78/39/538797839.db2.gz JFEKHWQUQROMSU-UHFFFAOYSA-N 1 2 207.277 1.377 20 30 BDEDLO N#CC1(C[NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC000359627714 134196323 /nfs/dbraw/zinc/19/63/23/134196323.db2.gz SYWGWLDJWLEFFE-GFCCVEGCSA-N 1 2 234.274 1.752 20 30 BDEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCCC#N ZINC000360555545 134200974 /nfs/dbraw/zinc/20/09/74/134200974.db2.gz BBKPUTNJHNGCKD-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCCC#N ZINC000360555545 134200975 /nfs/dbraw/zinc/20/09/75/134200975.db2.gz BBKPUTNJHNGCKD-GHMZBOCLSA-N 1 2 224.304 1.564 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C)c1ccccc1 ZINC000582973128 357449135 /nfs/dbraw/zinc/44/91/35/357449135.db2.gz PBHKCKLMLQCWQH-GFCCVEGCSA-N 1 2 245.326 1.931 20 30 BDEDLO C=CCOC[C@@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000361107890 134203383 /nfs/dbraw/zinc/20/33/83/134203383.db2.gz IWGMFXPGBMCYFE-LLVKDONJSA-N 1 2 241.331 1.509 20 30 BDEDLO CCn1cc[nH+]c1CNC[C@H](C#N)CCC#N ZINC000583259017 357737595 /nfs/dbraw/zinc/73/75/95/357737595.db2.gz YSDLXUYNYWJVRS-NSHDSACASA-N 1 2 231.303 1.436 20 30 BDEDLO CCn1ccnc1C[NH2+]C[C@H](C#N)CCC#N ZINC000583259017 357737598 /nfs/dbraw/zinc/73/75/98/357737598.db2.gz YSDLXUYNYWJVRS-NSHDSACASA-N 1 2 231.303 1.436 20 30 BDEDLO C#CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372390271 134231633 /nfs/dbraw/zinc/23/16/33/134231633.db2.gz SBILGPIAKROAST-SNVBAGLBSA-N 1 2 245.326 1.387 20 30 BDEDLO C#CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372390271 134231634 /nfs/dbraw/zinc/23/16/34/134231634.db2.gz SBILGPIAKROAST-SNVBAGLBSA-N 1 2 245.326 1.387 20 30 BDEDLO C[C@@H]1C[N@H+](CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374029052 134235397 /nfs/dbraw/zinc/23/53/97/134235397.db2.gz VLOLDKUQRGIJKQ-JHJVBQTASA-N 1 2 238.331 1.558 20 30 BDEDLO C[C@@H]1C[N@@H+](CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374029052 134235398 /nfs/dbraw/zinc/23/53/98/134235398.db2.gz VLOLDKUQRGIJKQ-JHJVBQTASA-N 1 2 238.331 1.558 20 30 BDEDLO N#CCCC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000375230494 134238588 /nfs/dbraw/zinc/23/85/88/134238588.db2.gz UWZKLUKGEMVION-NEPJUHHUSA-N 1 2 236.315 1.360 20 30 BDEDLO N#CCCC[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000375230494 134238589 /nfs/dbraw/zinc/23/85/89/134238589.db2.gz UWZKLUKGEMVION-NEPJUHHUSA-N 1 2 236.315 1.360 20 30 BDEDLO CC(C)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000360092901 134254959 /nfs/dbraw/zinc/25/49/59/134254959.db2.gz MYDZEVGEPSIODJ-LBPRGKRZSA-N 1 2 207.321 1.315 20 30 BDEDLO CC(C)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000360092901 134254960 /nfs/dbraw/zinc/25/49/60/134254960.db2.gz MYDZEVGEPSIODJ-LBPRGKRZSA-N 1 2 207.321 1.315 20 30 BDEDLO C[C@H]1[N@H+](Cc2ccnc(C#N)c2)CCOC1(C)C ZINC000610994223 358422290 /nfs/dbraw/zinc/42/22/90/358422290.db2.gz PPUOKTUANHQKPN-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@H]1[N@@H+](Cc2ccnc(C#N)c2)CCOC1(C)C ZINC000610994223 358422293 /nfs/dbraw/zinc/42/22/93/358422293.db2.gz PPUOKTUANHQKPN-LLVKDONJSA-N 1 2 245.326 1.953 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324342 358521661 /nfs/dbraw/zinc/52/16/61/358521661.db2.gz LGKKLTLEYLURLK-WDEREUQCSA-N 1 2 225.336 1.335 20 30 BDEDLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324342 358521663 /nfs/dbraw/zinc/52/16/63/358521663.db2.gz LGKKLTLEYLURLK-WDEREUQCSA-N 1 2 225.336 1.335 20 30 BDEDLO CC[N@@H+](CC(=O)NCC(C)C)C[C@H](C)C#N ZINC000042323941 358522017 /nfs/dbraw/zinc/52/20/17/358522017.db2.gz OCYHVYKTHCUSRG-LLVKDONJSA-N 1 2 225.336 1.240 20 30 BDEDLO CC[N@H+](CC(=O)NCC(C)C)C[C@H](C)C#N ZINC000042323941 358522022 /nfs/dbraw/zinc/52/20/22/358522022.db2.gz OCYHVYKTHCUSRG-LLVKDONJSA-N 1 2 225.336 1.240 20 30 BDEDLO C=CC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125817980 358544677 /nfs/dbraw/zinc/54/46/77/358544677.db2.gz CSCICIOYOZOTLO-UHFFFAOYSA-N 1 2 248.301 1.656 20 30 BDEDLO C=CC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125817980 358544679 /nfs/dbraw/zinc/54/46/79/358544679.db2.gz CSCICIOYOZOTLO-UHFFFAOYSA-N 1 2 248.301 1.656 20 30 BDEDLO CCN(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000105328373 358892025 /nfs/dbraw/zinc/89/20/25/358892025.db2.gz DXJGCJMRDDGLMO-UHFFFAOYSA-N 1 2 234.303 1.425 20 30 BDEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC(C)(C)O1 ZINC000246653611 359154613 /nfs/dbraw/zinc/15/46/13/359154613.db2.gz ZHYDCRBTCMEDHQ-VXGBXAGGSA-N 1 2 235.331 1.929 20 30 BDEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC(C)(C)O1 ZINC000246653611 359154617 /nfs/dbraw/zinc/15/46/17/359154617.db2.gz ZHYDCRBTCMEDHQ-VXGBXAGGSA-N 1 2 235.331 1.929 20 30 BDEDLO CN(C)c1ccc(CNC(=O)C(C)(C)C#N)c[nH+]1 ZINC000056893673 359335727 /nfs/dbraw/zinc/33/57/27/359335727.db2.gz OZXCBZFADMZGBK-UHFFFAOYSA-N 1 2 246.314 1.314 20 30 BDEDLO Cc1nc(N2CCC(C)(C#N)CC2)cc[nH+]1 ZINC000611540222 359390907 /nfs/dbraw/zinc/39/09/07/359390907.db2.gz QWAVRHBACQKXCR-UHFFFAOYSA-N 1 2 216.288 1.915 20 30 BDEDLO C#C[C@H]([NH2+][C@H](CC)C(=O)OC)C(C)(C)C ZINC000287124928 359468313 /nfs/dbraw/zinc/46/83/13/359468313.db2.gz GJNJNVGJVYEACW-ZJUUUORDSA-N 1 2 211.305 1.576 20 30 BDEDLO C#CC[N@@H+](Cc1cc(C(N)=O)cs1)C1CC1 ZINC000274110650 359511084 /nfs/dbraw/zinc/51/10/84/359511084.db2.gz LJDKFMFAUCJHBO-UHFFFAOYSA-N 1 2 234.324 1.445 20 30 BDEDLO C#CC[N@H+](Cc1cc(C(N)=O)cs1)C1CC1 ZINC000274110650 359511089 /nfs/dbraw/zinc/51/10/89/359511089.db2.gz LJDKFMFAUCJHBO-UHFFFAOYSA-N 1 2 234.324 1.445 20 30 BDEDLO C#CC[N@@H+](Cc1ccnn1CC)C1CC1 ZINC000274164262 359511193 /nfs/dbraw/zinc/51/11/93/359511193.db2.gz VHLGYOZOAZXJLD-UHFFFAOYSA-N 1 2 203.289 1.501 20 30 BDEDLO C#CC[N@H+](Cc1ccnn1CC)C1CC1 ZINC000274164262 359511197 /nfs/dbraw/zinc/51/11/97/359511197.db2.gz VHLGYOZOAZXJLD-UHFFFAOYSA-N 1 2 203.289 1.501 20 30 BDEDLO 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249.310 1.855 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000302333250 369092956 /nfs/dbraw/zinc/09/29/56/369092956.db2.gz IGTOKTUAIALVJF-ZDUSSCGKSA-N 1 2 249.310 1.855 20 30 BDEDLO C=C[C@](C)(CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457856284 203113614 /nfs/dbraw/zinc/11/36/14/203113614.db2.gz LRMQDWZFHQQFEH-CYBMUJFWSA-N 1 2 235.331 1.681 20 30 BDEDLO Cn1c[nH+]cc1COc1cccc(C#N)c1 ZINC000091278501 369367216 /nfs/dbraw/zinc/36/72/16/369367216.db2.gz WTIXIFCVNCORSP-UHFFFAOYSA-N 1 2 213.240 1.871 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](CCCO)C2 ZINC000405141324 369446468 /nfs/dbraw/zinc/44/64/68/369446468.db2.gz XXVPLURXXOEOSE-UHFFFAOYSA-N 1 2 202.257 1.256 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](CCCO)C2 ZINC000405141324 369446469 /nfs/dbraw/zinc/44/64/69/369446469.db2.gz XXVPLURXXOEOSE-UHFFFAOYSA-N 1 2 202.257 1.256 20 30 BDEDLO C=C[C@@H]([NH2+]CCCOC1CCCC1)C(=O)OC ZINC000619700584 369534583 /nfs/dbraw/zinc/53/45/83/369534583.db2.gz CNQOVGJATUKDIG-GFCCVEGCSA-N 1 2 241.331 1.653 20 30 BDEDLO 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20 30 BDEDLO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)NC ZINC000602020636 369738449 /nfs/dbraw/zinc/73/84/49/369738449.db2.gz QEPQRYHVRWJMBY-LBPRGKRZSA-N 1 2 249.289 1.312 20 30 BDEDLO CCCC[N@H+](CC(N)=O)Cc1cccc(C#N)n1 ZINC000602446960 369790067 /nfs/dbraw/zinc/79/00/67/369790067.db2.gz JCSRPGGMJLWGNO-UHFFFAOYSA-N 1 2 246.314 1.041 20 30 BDEDLO CCCC[N@@H+](CC(N)=O)Cc1cccc(C#N)n1 ZINC000602446960 369790070 /nfs/dbraw/zinc/79/00/70/369790070.db2.gz JCSRPGGMJLWGNO-UHFFFAOYSA-N 1 2 246.314 1.041 20 30 BDEDLO C[C@@H]1[N@H+](Cc2cccc(C#N)n2)CCOC1(C)C ZINC000602473233 369792726 /nfs/dbraw/zinc/79/27/26/369792726.db2.gz KZQHFNCLACUVBG-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1[N@@H+](Cc2cccc(C#N)n2)CCOC1(C)C ZINC000602473233 369792730 /nfs/dbraw/zinc/79/27/30/369792730.db2.gz KZQHFNCLACUVBG-NSHDSACASA-N 1 2 245.326 1.953 20 30 BDEDLO CCc1cc(C[NH2+]Cc2cccc(C#N)n2)on1 ZINC000602497940 369795840 /nfs/dbraw/zinc/79/58/40/369795840.db2.gz BNNBIRNQLHWLDR-UHFFFAOYSA-N 1 2 242.282 1.793 20 30 BDEDLO C=CCCOCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620596847 369948186 /nfs/dbraw/zinc/94/81/86/369948186.db2.gz UWVYKJCFCBVKGU-JTQLQIEISA-N 1 2 237.303 1.190 20 30 BDEDLO C=C[C@@H]([NH2+]CC1(CC)CCOCC1)C(=O)OC ZINC000310462001 370346499 /nfs/dbraw/zinc/34/64/99/370346499.db2.gz YCLABBKKRASDRQ-LLVKDONJSA-N 1 2 241.331 1.510 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633209405 373351316 /nfs/dbraw/zinc/35/13/16/373351316.db2.gz YCLDNTHMTRVZMX-SNVBAGLBSA-N 1 2 236.319 1.906 20 30 BDEDLO C=CC[N@@H+](Cc1cnnn1CC)C1CC1 ZINC000459463204 206127826 /nfs/dbraw/zinc/12/78/26/206127826.db2.gz HJBVRLZGKIBATM-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[N@H+](Cc1cnnn1CC)C1CC1 ZINC000459463204 206127829 /nfs/dbraw/zinc/12/78/29/206127829.db2.gz HJBVRLZGKIBATM-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO CCCN(CC#N)Cc1cc(OC)cc[nH+]1 ZINC000118004486 169091704 /nfs/dbraw/zinc/09/17/04/169091704.db2.gz PJEFAUBRULYFLS-UHFFFAOYSA-N 1 2 219.288 1.826 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)CSCC#N ZINC000194738577 259627472 /nfs/dbraw/zinc/62/74/72/259627472.db2.gz MJYZHZAKPHMWSR-UHFFFAOYSA-N 1 2 237.284 1.285 20 30 BDEDLO CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000334457714 383893830 /nfs/dbraw/zinc/89/38/30/383893830.db2.gz PRAXQTVGMLCINI-ZDUSSCGKSA-N 1 2 216.284 1.951 20 30 BDEDLO CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000334457714 383893835 /nfs/dbraw/zinc/89/38/35/383893835.db2.gz PRAXQTVGMLCINI-ZDUSSCGKSA-N 1 2 216.284 1.951 20 30 BDEDLO C#CCCCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000372866359 533021700 /nfs/dbraw/zinc/02/17/00/533021700.db2.gz PHPNKFTXDCOSDZ-LBPRGKRZSA-N 1 2 245.326 1.426 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000298652585 383973815 /nfs/dbraw/zinc/97/38/15/383973815.db2.gz XMXYXLVLUYALRR-MRVPVSSYSA-N 1 2 243.694 1.295 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000298652585 383973824 /nfs/dbraw/zinc/97/38/24/383973824.db2.gz XMXYXLVLUYALRR-MRVPVSSYSA-N 1 2 243.694 1.295 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)[C@@H]1CCOC1=O ZINC000298836250 384022017 /nfs/dbraw/zinc/02/20/17/384022017.db2.gz HPXGHLIVPQALBV-GFCCVEGCSA-N 1 2 235.283 1.626 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)[C@@H]1CCOC1=O ZINC000298836250 384022027 /nfs/dbraw/zinc/02/20/27/384022027.db2.gz HPXGHLIVPQALBV-GFCCVEGCSA-N 1 2 235.283 1.626 20 30 BDEDLO C=CCSCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227771731 134394033 /nfs/dbraw/zinc/39/40/33/134394033.db2.gz CETRPWSSXQHTRT-SNVBAGLBSA-N 1 2 229.345 1.447 20 30 BDEDLO C#CCCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000270925214 533040498 /nfs/dbraw/zinc/04/04/98/533040498.db2.gz OSMUQMMODFULNV-LLVKDONJSA-N 1 2 226.320 1.750 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000299401435 384205793 /nfs/dbraw/zinc/20/57/93/384205793.db2.gz UZTQPSYZFINUOD-AWEZNQCLSA-N 1 2 246.354 1.202 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1cnccc1C#N ZINC000135606548 384194980 /nfs/dbraw/zinc/19/49/80/384194980.db2.gz ADJODVPDOVAYJF-UHFFFAOYSA-N 1 2 227.271 1.323 20 30 BDEDLO CC(C)[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000336609592 384243480 /nfs/dbraw/zinc/24/34/80/384243480.db2.gz CFZANJKLGZOQOK-CQSZACIVSA-N 1 2 247.342 1.754 20 30 BDEDLO CC(C)[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000336609592 384243482 /nfs/dbraw/zinc/24/34/82/384243482.db2.gz CFZANJKLGZOQOK-CQSZACIVSA-N 1 2 247.342 1.754 20 30 BDEDLO N#Cc1csc(C[NH2+]Cc2ccoc2)n1 ZINC000336738282 384262344 /nfs/dbraw/zinc/26/23/44/384262344.db2.gz RDTXECWFDVOYCF-UHFFFAOYSA-N 1 2 219.269 1.898 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000372907624 533054503 /nfs/dbraw/zinc/05/45/03/533054503.db2.gz XFWMRRRGNIVXBJ-CYBMUJFWSA-N 1 2 218.300 1.422 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000372907624 533054507 /nfs/dbraw/zinc/05/45/07/533054507.db2.gz XFWMRRRGNIVXBJ-CYBMUJFWSA-N 1 2 218.300 1.422 20 30 BDEDLO Cc1cc(N[C@@H]2CC[C@H]2C)c(C#N)c[nH+]1 ZINC000335512016 384296420 /nfs/dbraw/zinc/29/64/20/384296420.db2.gz PTVULOCFMSHGCD-LDYMZIIASA-N 1 2 201.273 1.894 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@H]2C)c(C#N)c[nH+]1 ZINC000335511985 384296606 /nfs/dbraw/zinc/29/66/06/384296606.db2.gz PTVULOCFMSHGCD-KCJUWKMLSA-N 1 2 201.273 1.894 20 30 BDEDLO C#CC[NH+]1CCN(c2cnccc2C)CC1 ZINC000490900077 384477851 /nfs/dbraw/zinc/47/78/51/384477851.db2.gz SXBMUWYYIAFGPP-UHFFFAOYSA-N 1 2 215.300 1.145 20 30 BDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000083126957 384509402 /nfs/dbraw/zinc/50/94/02/384509402.db2.gz MDOLFBCYVWCIAP-ZDUSSCGKSA-N 1 2 244.294 1.868 20 30 BDEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000150950981 384528729 /nfs/dbraw/zinc/52/87/29/384528729.db2.gz OOJSFZDFQISPBV-UHFFFAOYSA-N 1 2 246.236 1.689 20 30 BDEDLO C=C(C)C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000150950981 384528733 /nfs/dbraw/zinc/52/87/33/384528733.db2.gz OOJSFZDFQISPBV-UHFFFAOYSA-N 1 2 246.236 1.689 20 30 BDEDLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000173199032 384664485 /nfs/dbraw/zinc/66/44/85/384664485.db2.gz JXVLGAPWVBRQQW-ZDUSSCGKSA-N 1 2 246.310 1.942 20 30 BDEDLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000173199032 384664492 /nfs/dbraw/zinc/66/44/92/384664492.db2.gz JXVLGAPWVBRQQW-ZDUSSCGKSA-N 1 2 246.310 1.942 20 30 BDEDLO C=CCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000155148073 384697836 /nfs/dbraw/zinc/69/78/36/384697836.db2.gz VKIOISLOSDCJBK-UHFFFAOYSA-N 1 2 221.304 1.698 20 30 BDEDLO CC#CCCSc1[nH+]cnc2c1cnn2C ZINC000155216926 384704662 /nfs/dbraw/zinc/70/46/62/384704662.db2.gz PTXKZPUPLJZOTN-UHFFFAOYSA-N 1 2 232.312 1.869 20 30 BDEDLO Cn1cc[nH+]c1Cn1nc(C#N)c2ccccc21 ZINC000432454688 384729696 /nfs/dbraw/zinc/72/96/96/384729696.db2.gz HAVRRWRZMGXRKH-UHFFFAOYSA-N 1 2 237.266 1.690 20 30 BDEDLO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000300456837 384730065 /nfs/dbraw/zinc/73/00/65/384730065.db2.gz BHQSNIMVQQMLPY-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000300456837 384730074 /nfs/dbraw/zinc/73/00/74/384730074.db2.gz BHQSNIMVQQMLPY-CYBMUJFWSA-N 1 2 234.274 1.918 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000491792713 384732582 /nfs/dbraw/zinc/73/25/82/384732582.db2.gz HAZVUJDAZHXKPU-VXGBXAGGSA-N 1 2 245.326 1.364 20 30 BDEDLO Cc1cccc2[nH+]c(CN(C)CCC#N)cn21 ZINC000083225694 384754537 /nfs/dbraw/zinc/75/45/37/384754537.db2.gz AWEUTRHAZXCTCQ-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO N#Cc1csc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000176873423 384798750 /nfs/dbraw/zinc/79/87/50/384798750.db2.gz NQJBSWYVEKTNNT-UHFFFAOYSA-N 1 2 246.295 1.246 20 30 BDEDLO COC1(C)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000335204982 384852875 /nfs/dbraw/zinc/85/28/75/384852875.db2.gz JHTKHZBBAGHCQW-UHFFFAOYSA-N 1 2 216.284 1.779 20 30 BDEDLO CC#CCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000297899473 384979615 /nfs/dbraw/zinc/97/96/15/384979615.db2.gz XLDSDRVMPJVPKF-UHFFFAOYSA-N 1 2 217.272 1.877 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152254304 385004525 /nfs/dbraw/zinc/00/45/25/385004525.db2.gz CLSQFYPMDZURCF-GFCCVEGCSA-N 1 2 244.342 1.885 20 30 BDEDLO CC#CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152254304 385004531 /nfs/dbraw/zinc/00/45/31/385004531.db2.gz CLSQFYPMDZURCF-GFCCVEGCSA-N 1 2 244.342 1.885 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2CCO)n1 ZINC000356428792 385044227 /nfs/dbraw/zinc/04/42/27/385044227.db2.gz ZRHQXQUIUOIJMQ-SNVBAGLBSA-N 1 2 237.328 1.362 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2CCO)n1 ZINC000356428792 385044233 /nfs/dbraw/zinc/04/42/33/385044233.db2.gz ZRHQXQUIUOIJMQ-SNVBAGLBSA-N 1 2 237.328 1.362 20 30 BDEDLO C=CCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000370864599 385046497 /nfs/dbraw/zinc/04/64/97/385046497.db2.gz DUJKXWJBQKDBEE-LLVKDONJSA-N 1 2 233.315 1.480 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000308950186 385311315 /nfs/dbraw/zinc/31/13/15/385311315.db2.gz OVGAIOCMXOQLGP-NXEZZACHSA-N 1 2 215.293 1.119 20 30 BDEDLO C=CCC[C@H](C)[NH2+][C@@H](COC)C(=O)OC ZINC000308950188 385312157 /nfs/dbraw/zinc/31/21/57/385312157.db2.gz OVGAIOCMXOQLGP-UWVGGRQHSA-N 1 2 215.293 1.119 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1OC ZINC000491641729 385316537 /nfs/dbraw/zinc/31/65/37/385316537.db2.gz SNNHKRBDLGEGTR-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000491641729 385316541 /nfs/dbraw/zinc/31/65/41/385316541.db2.gz SNNHKRBDLGEGTR-NSHDSACASA-N 1 2 246.310 1.587 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(C)c1 ZINC000491298466 385324523 /nfs/dbraw/zinc/32/45/23/385324523.db2.gz VPOFQZHGVZPTSY-CQSZACIVSA-N 1 2 215.296 1.829 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1 ZINC000491298466 385324526 /nfs/dbraw/zinc/32/45/26/385324526.db2.gz VPOFQZHGVZPTSY-CQSZACIVSA-N 1 2 215.296 1.829 20 30 BDEDLO C#CCN(C(=O)/C=C/c1[nH+]ccn1CC)C1CC1 ZINC000491640112 385294376 /nfs/dbraw/zinc/29/43/76/385294376.db2.gz XLGULCXYQVQWLP-BQYQJAHWSA-N 1 2 243.310 1.540 20 30 BDEDLO COc1cccc(C(N)=[NH+]OCC(C)C)c1 ZINC000154608885 385341192 /nfs/dbraw/zinc/34/11/92/385341192.db2.gz DHQSFQWEIPNVMZ-UHFFFAOYSA-N 1 2 222.288 1.988 20 30 BDEDLO Cc1ncccc1C[N@@H+](C)C[C@H](C)C#N ZINC000309008793 385359541 /nfs/dbraw/zinc/35/95/41/385359541.db2.gz OFGDUHIDRPMLKN-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO Cc1ncccc1C[N@H+](C)C[C@H](C)C#N ZINC000309008793 385359544 /nfs/dbraw/zinc/35/95/44/385359544.db2.gz OFGDUHIDRPMLKN-SNVBAGLBSA-N 1 2 203.289 1.982 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](C)[C@H](C)C1=O ZINC000491340314 385369861 /nfs/dbraw/zinc/36/98/61/385369861.db2.gz WZEPTNSPOOCETE-VWYCJHECSA-N 1 2 208.305 1.012 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](C)[C@H](C)C1=O ZINC000491340314 385369866 /nfs/dbraw/zinc/36/98/66/385369866.db2.gz WZEPTNSPOOCETE-VWYCJHECSA-N 1 2 208.305 1.012 20 30 BDEDLO Cc1ccnc(NCc2ccc(N)[nH+]c2)c1C#N ZINC000308384216 385529338 /nfs/dbraw/zinc/52/93/38/385529338.db2.gz FFHLQIDNMRSEHF-UHFFFAOYSA-N 1 2 239.282 1.851 20 30 BDEDLO C#CC[N@H+]1CCCCC[C@@H]1C(=O)OCC ZINC000370559562 533152060 /nfs/dbraw/zinc/15/20/60/533152060.db2.gz VFMVPABVJJRBKQ-LLVKDONJSA-N 1 2 209.289 1.427 20 30 BDEDLO C#CC[N@@H+]1CCCCC[C@@H]1C(=O)OCC ZINC000370559562 533152065 /nfs/dbraw/zinc/15/20/65/533152065.db2.gz VFMVPABVJJRBKQ-LLVKDONJSA-N 1 2 209.289 1.427 20 30 BDEDLO N#Cc1cccc(CN2CCn3c[nH+]cc3C2)c1 ZINC000291458744 385878182 /nfs/dbraw/zinc/87/81/82/385878182.db2.gz DAGSYGDJXCEWEL-UHFFFAOYSA-N 1 2 238.294 1.771 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345096124 385995224 /nfs/dbraw/zinc/99/52/24/385995224.db2.gz LCHPYFKHSORFQL-UHFFFAOYSA-N 1 2 248.326 1.912 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345096124 385995229 /nfs/dbraw/zinc/99/52/29/385995229.db2.gz LCHPYFKHSORFQL-UHFFFAOYSA-N 1 2 248.326 1.912 20 30 BDEDLO Cc1cc(CNC(=O)[C@]2(C#N)C[C@@H]2C)cc(C)[nH+]1 ZINC000335059201 385962095 /nfs/dbraw/zinc/96/20/95/385962095.db2.gz RPDQVMKGEGOUFH-XPTSAGLGSA-N 1 2 243.310 1.864 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)[C@H](C)O1 ZINC000569587902 385999743 /nfs/dbraw/zinc/99/97/43/385999743.db2.gz CTIATIGZRUXHCP-WOPDTQHZSA-N 1 2 245.326 1.951 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)[C@H](C)O1 ZINC000569587902 385999748 /nfs/dbraw/zinc/99/97/48/385999748.db2.gz CTIATIGZRUXHCP-WOPDTQHZSA-N 1 2 245.326 1.951 20 30 BDEDLO N#Cc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000183892080 386049357 /nfs/dbraw/zinc/04/93/57/386049357.db2.gz KZYUYVBONTZSFT-UHFFFAOYSA-N 1 2 226.226 1.275 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000334450167 386088605 /nfs/dbraw/zinc/08/86/05/386088605.db2.gz SVUUXCFIXSZLKT-STQMWFEESA-N 1 2 232.283 1.905 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000334450167 386088610 /nfs/dbraw/zinc/08/86/10/386088610.db2.gz SVUUXCFIXSZLKT-STQMWFEESA-N 1 2 232.283 1.905 20 30 BDEDLO C=CCCCNC(=O)NCCCn1cc[nH+]c1 ZINC000280694007 386371399 /nfs/dbraw/zinc/37/13/99/386371399.db2.gz RNPIMHURYAERIK-UHFFFAOYSA-N 1 2 236.319 1.539 20 30 BDEDLO Cc1cc(NC[C@]2(O)CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000398994221 386408511 /nfs/dbraw/zinc/40/85/11/386408511.db2.gz NLSAMKZZBDCXIF-QMTHXVAHSA-N 1 2 245.326 1.647 20 30 BDEDLO CC[C@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000399193010 386410145 /nfs/dbraw/zinc/41/01/45/386410145.db2.gz QYRAYSAYOYOZQY-LBPRGKRZSA-N 1 2 219.288 1.257 20 30 BDEDLO CCC(CC)[C@@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000398998200 386410712 /nfs/dbraw/zinc/41/07/12/386410712.db2.gz RBSQZYOHEAEWQO-AWEZNQCLSA-N 1 2 247.342 1.893 20 30 BDEDLO CC[C@H](CCO)Nc1cc(C)[nH+]cc1C#N ZINC000399209100 386491475 /nfs/dbraw/zinc/49/14/75/386491475.db2.gz XCRNMKLOQVOJKC-LLVKDONJSA-N 1 2 219.288 1.257 20 30 BDEDLO C#CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378233959 533173221 /nfs/dbraw/zinc/17/32/21/533173221.db2.gz WWKBRNLHVIJXAX-LLVKDONJSA-N 1 2 246.314 1.001 20 30 BDEDLO CC#CC[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000645404053 386456733 /nfs/dbraw/zinc/45/67/33/386456733.db2.gz ULUVIPYMUYXBTE-CYBMUJFWSA-N 1 2 240.306 1.843 20 30 BDEDLO Cc1c(NC(=O)CCc2c[nH+]cn2C)cnn1C ZINC000328812015 386620999 /nfs/dbraw/zinc/62/09/99/386620999.db2.gz FLSHOWHKFCJALR-UHFFFAOYSA-N 1 2 247.302 1.683 20 30 BDEDLO C[C@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000328854259 386636378 /nfs/dbraw/zinc/63/63/78/386636378.db2.gz JMJLUJNVQHQVCY-GWCFXTLKSA-N 1 2 249.314 1.581 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCCO1 ZINC000328947206 386650359 /nfs/dbraw/zinc/65/03/59/386650359.db2.gz MPCVLAMRHXUSGR-BXKDBHETSA-N 1 2 249.314 1.793 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCCO1 ZINC000328947206 386650364 /nfs/dbraw/zinc/65/03/64/386650364.db2.gz MPCVLAMRHXUSGR-BXKDBHETSA-N 1 2 249.314 1.793 20 30 BDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCCO1 ZINC000328764135 386617938 /nfs/dbraw/zinc/61/79/38/386617938.db2.gz GCKSZYUCEIMHAO-WDEREUQCSA-N 1 2 249.314 1.896 20 30 BDEDLO C=C(Cl)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279327946 386663539 /nfs/dbraw/zinc/66/35/39/386663539.db2.gz CMENZODXVNJJNF-UHFFFAOYSA-N 1 2 213.668 1.211 20 30 BDEDLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328961123 386663617 /nfs/dbraw/zinc/66/36/17/386663617.db2.gz QMYWPLICDFMERR-HOTUBEGUSA-N 1 2 249.314 1.649 20 30 BDEDLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328961123 386663621 /nfs/dbraw/zinc/66/36/21/386663621.db2.gz QMYWPLICDFMERR-HOTUBEGUSA-N 1 2 249.314 1.649 20 30 BDEDLO C=CC[C@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000185815923 386723456 /nfs/dbraw/zinc/72/34/56/386723456.db2.gz NUVQBZFSXICTOT-LLVKDONJSA-N 1 2 245.282 1.001 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccnc1 ZINC000330623893 386821800 /nfs/dbraw/zinc/82/18/00/386821800.db2.gz QIQFCCUOFPDCEX-LLVKDONJSA-N 1 2 249.314 1.107 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccnc1 ZINC000330623893 386821808 /nfs/dbraw/zinc/82/18/08/386821808.db2.gz QIQFCCUOFPDCEX-LLVKDONJSA-N 1 2 249.314 1.107 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccoc1 ZINC000330628669 386823951 /nfs/dbraw/zinc/82/39/51/386823951.db2.gz ZIPQBBXIYGZDJF-SNVBAGLBSA-N 1 2 238.287 1.305 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccoc1 ZINC000330628669 386823958 /nfs/dbraw/zinc/82/39/58/386823958.db2.gz ZIPQBBXIYGZDJF-SNVBAGLBSA-N 1 2 238.287 1.305 20 30 BDEDLO N#CCCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000330655776 386814452 /nfs/dbraw/zinc/81/44/52/386814452.db2.gz PYWUWJJKDOXOGY-QMMMGPOBSA-N 1 2 213.306 1.243 20 30 BDEDLO N#CCCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330655776 386814457 /nfs/dbraw/zinc/81/44/57/386814457.db2.gz PYWUWJJKDOXOGY-QMMMGPOBSA-N 1 2 213.306 1.243 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C#N)cs1 ZINC000093475591 386834185 /nfs/dbraw/zinc/83/41/85/386834185.db2.gz IRQGQJLXCFHAIG-UHFFFAOYSA-N 1 2 214.293 1.688 20 30 BDEDLO C#CC[N@@H+]1CCC(C)=C(Br)C1 ZINC000280703202 386838260 /nfs/dbraw/zinc/83/82/60/386838260.db2.gz HBUXDJMMUSKCGU-UHFFFAOYSA-N 1 2 214.106 1.994 20 30 BDEDLO C#CC[N@H+]1CCC(C)=C(Br)C1 ZINC000280703202 386838262 /nfs/dbraw/zinc/83/82/62/386838262.db2.gz HBUXDJMMUSKCGU-UHFFFAOYSA-N 1 2 214.106 1.994 20 30 BDEDLO C[C@@H]1COC[C@H](C)[N@H+]1CC1(C#N)CCC1 ZINC000334791297 386855454 /nfs/dbraw/zinc/85/54/54/386855454.db2.gz PHONPWRRXMSKQR-PHIMTYICSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1COC[C@H](C)[N@@H+]1CC1(C#N)CCC1 ZINC000334791297 386855457 /nfs/dbraw/zinc/85/54/57/386855457.db2.gz PHONPWRRXMSKQR-PHIMTYICSA-N 1 2 208.305 1.789 20 30 BDEDLO CC(C)(CCC#N)C[NH+]1CC(O)(C(F)F)C1 ZINC000425346537 386857686 /nfs/dbraw/zinc/85/76/86/386857686.db2.gz JOFZFRVWVTWYML-UHFFFAOYSA-N 1 2 232.274 1.628 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC000335749194 386873343 /nfs/dbraw/zinc/87/33/43/386873343.db2.gz YIXWYKRGMRCWJK-VIFPVBQESA-N 1 2 244.298 1.392 20 30 BDEDLO N#CC1(NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CCC1 ZINC000335749194 386873346 /nfs/dbraw/zinc/87/33/46/386873346.db2.gz YIXWYKRGMRCWJK-VIFPVBQESA-N 1 2 244.298 1.392 20 30 BDEDLO C#CC[C@@H](C)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000372715095 533205519 /nfs/dbraw/zinc/20/55/19/533205519.db2.gz MMZANMDIVIOUBQ-GHMZBOCLSA-N 1 2 231.299 1.289 20 30 BDEDLO COCC[C@H](COC)Nc1cc(C)[nH+]cc1C#N ZINC000399526806 386957677 /nfs/dbraw/zinc/95/76/77/386957677.db2.gz SLDTVYGATZKNOI-GFCCVEGCSA-N 1 2 249.314 1.147 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(COC)no1 ZINC000331139589 386970335 /nfs/dbraw/zinc/97/03/35/386970335.db2.gz LMUOHLYYHUBHMK-JTQLQIEISA-N 1 2 237.303 1.757 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(COC)no1 ZINC000331139589 386970337 /nfs/dbraw/zinc/97/03/37/386970337.db2.gz LMUOHLYYHUBHMK-JTQLQIEISA-N 1 2 237.303 1.757 20 30 BDEDLO Cc1cc(NCC2(O)CCC2)c(C#N)c[nH+]1 ZINC000399154052 387002338 /nfs/dbraw/zinc/00/23/38/387002338.db2.gz CGVXLXKUTXLZFU-UHFFFAOYSA-N 1 2 217.272 1.011 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cncnc1OC ZINC000648028402 387045723 /nfs/dbraw/zinc/04/57/23/387045723.db2.gz LKUQYOAVZBINQW-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cncnc1OC ZINC000648028402 387045727 /nfs/dbraw/zinc/04/57/27/387045727.db2.gz LKUQYOAVZBINQW-UHFFFAOYSA-N 1 2 237.303 1.120 20 30 BDEDLO Cc1n[nH]cc1CNc1cc(C)[nH+]cc1C#N ZINC000399629205 387060272 /nfs/dbraw/zinc/06/02/72/387060272.db2.gz FUMKKSWVUUEETQ-UHFFFAOYSA-N 1 2 227.271 1.327 20 30 BDEDLO Cc1cc(NC[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000399560298 387015819 /nfs/dbraw/zinc/01/58/19/387015819.db2.gz FBLYGPGYCFZGRA-LLVKDONJSA-N 1 2 217.272 1.275 20 30 BDEDLO Cc1cc(N[C@H](C)Cn2cccn2)c(C#N)c[nH+]1 ZINC000399695231 387112291 /nfs/dbraw/zinc/11/22/91/387112291.db2.gz ZGJGVWBAPBEHTL-LLVKDONJSA-N 1 2 241.298 1.381 20 30 BDEDLO CN(C)c1ncc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418145440 387168295 /nfs/dbraw/zinc/16/82/95/387168295.db2.gz YCOJXYJZIRTKLZ-UHFFFAOYSA-N 1 2 245.330 1.326 20 30 BDEDLO CC(C)CNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352459006 387227417 /nfs/dbraw/zinc/22/74/17/387227417.db2.gz RUKJDRZJJGFKEI-UHFFFAOYSA-N 1 2 241.310 1.086 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000424669979 387242271 /nfs/dbraw/zinc/24/22/71/387242271.db2.gz VGJFNMGKFQJYFJ-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(OC)nc1C ZINC000572375791 387354512 /nfs/dbraw/zinc/35/45/12/387354512.db2.gz WXBHKFPRQXJAAF-NSHDSACASA-N 1 2 234.303 1.576 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)cn1 ZINC000272005338 387450216 /nfs/dbraw/zinc/45/02/16/387450216.db2.gz SFWJVHRUUZLWLJ-UHFFFAOYSA-N 1 2 214.268 1.159 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265273160 387395292 /nfs/dbraw/zinc/39/52/92/387395292.db2.gz GKNMNQWXIBFFLX-GHMZBOCLSA-N 1 2 236.319 1.535 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC=CCC1 ZINC000515575891 387398202 /nfs/dbraw/zinc/39/82/02/387398202.db2.gz XQGPXRNSYCAQRJ-AAEUAGOBSA-N 1 2 235.331 1.303 20 30 BDEDLO C=CCCCC(=O)NCCNc1cccc[nH+]1 ZINC000267058206 387407859 /nfs/dbraw/zinc/40/78/59/387407859.db2.gz GGOAUNUXWJKRLW-UHFFFAOYSA-N 1 2 233.315 1.966 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276166952 387519544 /nfs/dbraw/zinc/51/95/44/387519544.db2.gz QPYHCSGJGORXFK-YPMHNXCESA-N 1 2 235.331 1.990 20 30 BDEDLO C=C(C)C[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000274636933 387483071 /nfs/dbraw/zinc/48/30/71/387483071.db2.gz SLBWCMVBFJCZBD-SECBINFHSA-N 1 2 221.304 1.937 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000042454419 387628662 /nfs/dbraw/zinc/62/86/62/387628662.db2.gz FVFXGANCQMTVJY-NWDGAFQWSA-N 1 2 239.363 1.915 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000042454419 387628666 /nfs/dbraw/zinc/62/86/66/387628666.db2.gz FVFXGANCQMTVJY-NWDGAFQWSA-N 1 2 239.363 1.915 20 30 BDEDLO CC(C)N(CCC#N)C(=O)CCc1c[nH+]cn1C ZINC000527530760 387602084 /nfs/dbraw/zinc/60/20/84/387602084.db2.gz MCCNQSSVCUFUBA-UHFFFAOYSA-N 1 2 248.330 1.503 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278918206 387560138 /nfs/dbraw/zinc/56/01/38/387560138.db2.gz UPFVAJBFXRTXHE-UHFFFAOYSA-N 1 2 230.262 1.551 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000278918206 387560142 /nfs/dbraw/zinc/56/01/42/387560142.db2.gz UPFVAJBFXRTXHE-UHFFFAOYSA-N 1 2 230.262 1.551 20 30 BDEDLO C=C[C@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000431290301 387697512 /nfs/dbraw/zinc/69/75/12/387697512.db2.gz KKLLECYGFOSHSD-VIFPVBQESA-N 1 2 235.287 1.464 20 30 BDEDLO CCC[C@@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399487306 387709610 /nfs/dbraw/zinc/70/96/10/387709610.db2.gz FRDZOQQGMSCEIC-LBPRGKRZSA-N 1 2 233.315 1.911 20 30 BDEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ncnn1C ZINC000353225827 387756729 /nfs/dbraw/zinc/75/67/29/387756729.db2.gz OZYVFILXTRIHAX-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000171932473 387828548 /nfs/dbraw/zinc/82/85/48/387828548.db2.gz QEJCMSFCCFRFMO-AWEZNQCLSA-N 1 2 245.322 1.726 20 30 BDEDLO C#CC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000171932473 387828553 /nfs/dbraw/zinc/82/85/53/387828553.db2.gz QEJCMSFCCFRFMO-AWEZNQCLSA-N 1 2 245.322 1.726 20 30 BDEDLO C#CCSCCNc1[nH+]cnc2c1cnn2C ZINC000172616033 387873372 /nfs/dbraw/zinc/87/33/72/387873372.db2.gz HZKMXKATEBFESY-UHFFFAOYSA-N 1 2 247.327 1.142 20 30 BDEDLO C=CC[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528069410 387841211 /nfs/dbraw/zinc/84/12/11/387841211.db2.gz UGZQXPYPDLAERQ-UHFFFAOYSA-N 1 2 205.261 1.485 20 30 BDEDLO C=CC[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528069410 387841214 /nfs/dbraw/zinc/84/12/14/387841214.db2.gz UGZQXPYPDLAERQ-UHFFFAOYSA-N 1 2 205.261 1.485 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000645847857 387857723 /nfs/dbraw/zinc/85/77/23/387857723.db2.gz LWVCQBMQSCJSJX-UHFFFAOYSA-N 1 2 220.320 1.700 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000645847857 387857726 /nfs/dbraw/zinc/85/77/26/387857726.db2.gz LWVCQBMQSCJSJX-UHFFFAOYSA-N 1 2 220.320 1.700 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000442658315 387815287 /nfs/dbraw/zinc/81/52/87/387815287.db2.gz UONJYAPCDJNGNN-LBPRGKRZSA-N 1 2 221.304 1.970 20 30 BDEDLO C=CCCC[C@@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444675106 387907158 /nfs/dbraw/zinc/90/71/58/387907158.db2.gz MHRFBXXYQMQIAY-ZIAGYGMSSA-N 1 2 240.391 1.730 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000176417279 387912894 /nfs/dbraw/zinc/91/28/94/387912894.db2.gz JPRSQXBURHPVFH-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000176417279 387912899 /nfs/dbraw/zinc/91/28/99/387912899.db2.gz JPRSQXBURHPVFH-VIFPVBQESA-N 1 2 225.292 1.785 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444737121 387919640 /nfs/dbraw/zinc/91/96/40/387919640.db2.gz WYECMICVLDYIPW-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444737121 387919643 /nfs/dbraw/zinc/91/96/43/387919643.db2.gz WYECMICVLDYIPW-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO CN(C)c1noc(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000446796111 388038954 /nfs/dbraw/zinc/03/89/54/388038954.db2.gz QIFFHUUZINUYQK-UWVGGRQHSA-N 1 2 249.318 1.308 20 30 BDEDLO C#CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000118785586 388098257 /nfs/dbraw/zinc/09/82/57/388098257.db2.gz HVUCBPTXZUTREO-UHFFFAOYSA-N 1 2 239.278 1.544 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCOCC1 ZINC000424533902 388100466 /nfs/dbraw/zinc/10/04/66/388100466.db2.gz ZBNZSQIPPQSTHM-UHFFFAOYSA-N 1 2 240.347 1.037 20 30 BDEDLO CC#CCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454725075 388131440 /nfs/dbraw/zinc/13/14/40/388131440.db2.gz CUDQNGUKKRTWDU-SNVBAGLBSA-N 1 2 234.303 1.287 20 30 BDEDLO C=CCC[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OCC ZINC000449654725 388248522 /nfs/dbraw/zinc/24/85/22/388248522.db2.gz FLEWJMUVZFSABK-VXGBXAGGSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H]1CCCOC1)C(=O)OCC ZINC000449654724 388248707 /nfs/dbraw/zinc/24/87/07/388248707.db2.gz FLEWJMUVZFSABK-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C)nc1 ZINC000490949311 388260957 /nfs/dbraw/zinc/26/09/57/388260957.db2.gz JTUCSWUOUFTIEO-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C)nc1 ZINC000490949311 388260959 /nfs/dbraw/zinc/26/09/59/388260959.db2.gz JTUCSWUOUFTIEO-UHFFFAOYSA-N 1 2 212.296 1.849 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccnc(OC)c1 ZINC000490893291 388258551 /nfs/dbraw/zinc/25/85/51/388258551.db2.gz SNOWYCCVNKHTCK-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(OC)c1 ZINC000490893291 388258552 /nfs/dbraw/zinc/25/85/52/388258552.db2.gz SNOWYCCVNKHTCK-UHFFFAOYSA-N 1 2 228.295 1.549 20 30 BDEDLO CC#CC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488763428 388194951 /nfs/dbraw/zinc/19/49/51/388194951.db2.gz ISAIDTYNGGZJSH-ZDUSSCGKSA-N 1 2 249.358 1.088 20 30 BDEDLO CC#CC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488763428 388194952 /nfs/dbraw/zinc/19/49/52/388194952.db2.gz ISAIDTYNGGZJSH-ZDUSSCGKSA-N 1 2 249.358 1.088 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncnn1CC ZINC000489430955 388213609 /nfs/dbraw/zinc/21/36/09/388213609.db2.gz HOZRPGAYWWFGLD-NSHDSACASA-N 1 2 220.320 1.839 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncnn1CC ZINC000489430955 388213610 /nfs/dbraw/zinc/21/36/10/388213610.db2.gz HOZRPGAYWWFGLD-NSHDSACASA-N 1 2 220.320 1.839 20 30 BDEDLO C=C(CC)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000456814683 388225063 /nfs/dbraw/zinc/22/50/63/388225063.db2.gz UUHCITSNOVICTC-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(C(=O)OC)co1 ZINC000490947903 388261087 /nfs/dbraw/zinc/26/10/87/388261087.db2.gz BDIGKFBGVGMCOM-UHFFFAOYSA-N 1 2 245.278 1.525 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C(=O)OC)co1 ZINC000490947903 388261089 /nfs/dbraw/zinc/26/10/89/388261089.db2.gz BDIGKFBGVGMCOM-UHFFFAOYSA-N 1 2 245.278 1.525 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000491297118 388283415 /nfs/dbraw/zinc/28/34/15/388283415.db2.gz OTQJWTOUGIICCS-ZIAGYGMSSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000491297118 388283416 /nfs/dbraw/zinc/28/34/16/388283416.db2.gz OTQJWTOUGIICCS-ZIAGYGMSSA-N 1 2 248.370 1.733 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)C(=O)OCC ZINC000451603528 388283444 /nfs/dbraw/zinc/28/34/44/388283444.db2.gz DJIBESNVBPARHF-MXWKQRLJSA-N 1 2 227.304 1.261 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000491327615 388285789 /nfs/dbraw/zinc/28/57/89/388285789.db2.gz WXMPMWZYSWBJPV-LBPRGKRZSA-N 1 2 231.295 1.683 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000491327615 388285791 /nfs/dbraw/zinc/28/57/91/388285791.db2.gz WXMPMWZYSWBJPV-LBPRGKRZSA-N 1 2 231.295 1.683 20 30 BDEDLO C#CCN(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000491394415 388292004 /nfs/dbraw/zinc/29/20/04/388292004.db2.gz LXQUGVZAPDAIGB-UHFFFAOYSA-N 1 2 245.326 1.863 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)OCCCC ZINC000491440890 388294665 /nfs/dbraw/zinc/29/46/65/388294665.db2.gz RPOBBDGQQNFKHE-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)OCCCC ZINC000491440890 388294666 /nfs/dbraw/zinc/29/46/66/388294666.db2.gz RPOBBDGQQNFKHE-LBPRGKRZSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CCN(C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000491474074 388297298 /nfs/dbraw/zinc/29/72/98/388297298.db2.gz JUUFSLQMUNFZJI-UHFFFAOYSA-N 1 2 229.283 1.441 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000491496273 388298718 /nfs/dbraw/zinc/29/87/18/388298718.db2.gz PFVYVZFSWCTKEC-SNVBAGLBSA-N 1 2 217.272 1.297 20 30 BDEDLO C=C(CC)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451830567 388299185 /nfs/dbraw/zinc/29/91/85/388299185.db2.gz JKRZIGYPUWGPJO-VIFPVBQESA-N 1 2 207.264 1.901 20 30 BDEDLO C=C(CC)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451830567 388299186 /nfs/dbraw/zinc/29/91/86/388299186.db2.gz JKRZIGYPUWGPJO-VIFPVBQESA-N 1 2 207.264 1.901 20 30 BDEDLO C=CCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451850056 388300150 /nfs/dbraw/zinc/30/01/50/388300150.db2.gz KCZDUPWLKOUENV-VIFPVBQESA-N 1 2 207.264 1.901 20 30 BDEDLO C=CCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451850056 388300152 /nfs/dbraw/zinc/30/01/52/388300152.db2.gz KCZDUPWLKOUENV-VIFPVBQESA-N 1 2 207.264 1.901 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000491536590 388301869 /nfs/dbraw/zinc/30/18/69/388301869.db2.gz KXGUMXFSYFGOAW-YNEHKIRRSA-N 1 2 234.343 1.689 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000491536590 388301870 /nfs/dbraw/zinc/30/18/70/388301870.db2.gz KXGUMXFSYFGOAW-YNEHKIRRSA-N 1 2 234.343 1.689 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCOC(C)C ZINC000491545904 388303103 /nfs/dbraw/zinc/30/31/03/388303103.db2.gz SPJFVEKDMZTQIB-LBPRGKRZSA-N 1 2 211.305 1.136 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCOC(C)C ZINC000491545904 388303104 /nfs/dbraw/zinc/30/31/04/388303104.db2.gz SPJFVEKDMZTQIB-LBPRGKRZSA-N 1 2 211.305 1.136 20 30 BDEDLO C#CC[NH+](CC#C)CC1(Br)CC1 ZINC000491652702 388308090 /nfs/dbraw/zinc/30/80/90/388308090.db2.gz BKSMNVLNXUJJRL-UHFFFAOYSA-N 1 2 226.117 1.482 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(C2CC2)nc1 ZINC000491700577 388312761 /nfs/dbraw/zinc/31/27/61/388312761.db2.gz VOAVARBDWYHZHV-UHFFFAOYSA-N 1 2 239.322 1.813 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(C2CC2)nc1 ZINC000491700577 388312762 /nfs/dbraw/zinc/31/27/62/388312762.db2.gz VOAVARBDWYHZHV-UHFFFAOYSA-N 1 2 239.322 1.813 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000491706397 388313379 /nfs/dbraw/zinc/31/33/79/388313379.db2.gz MUPGAPOWFQWODM-SNVBAGLBSA-N 1 2 220.320 1.487 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000491706397 388313380 /nfs/dbraw/zinc/31/33/80/388313380.db2.gz MUPGAPOWFQWODM-SNVBAGLBSA-N 1 2 220.320 1.487 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000491710783 388313933 /nfs/dbraw/zinc/31/39/33/388313933.db2.gz YZWSTDRGSKSNTJ-SECBINFHSA-N 1 2 248.257 1.645 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000491710783 388313934 /nfs/dbraw/zinc/31/39/34/388313934.db2.gz YZWSTDRGSKSNTJ-SECBINFHSA-N 1 2 248.257 1.645 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491728030 388315357 /nfs/dbraw/zinc/31/53/57/388315357.db2.gz HZKUEKFRPZZJMF-QWRGUYRKSA-N 1 2 233.315 1.506 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491728030 388315358 /nfs/dbraw/zinc/31/53/58/388315358.db2.gz HZKUEKFRPZZJMF-QWRGUYRKSA-N 1 2 233.315 1.506 20 30 BDEDLO C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000491726985 388315364 /nfs/dbraw/zinc/31/53/64/388315364.db2.gz FFCVYXDRHBLECW-JTQLQIEISA-N 1 2 231.299 1.213 20 30 BDEDLO C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000491726985 388315365 /nfs/dbraw/zinc/31/53/65/388315365.db2.gz FFCVYXDRHBLECW-JTQLQIEISA-N 1 2 231.299 1.213 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491739725 388316561 /nfs/dbraw/zinc/31/65/61/388316561.db2.gz SKWFEWKUEQKONQ-MNOVXSKESA-N 1 2 219.288 1.314 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000491741304 388317079 /nfs/dbraw/zinc/31/70/79/388317079.db2.gz IEAZGQPBOFRWMH-LLVKDONJSA-N 1 2 248.301 1.568 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000491741304 388317080 /nfs/dbraw/zinc/31/70/80/388317080.db2.gz IEAZGQPBOFRWMH-LLVKDONJSA-N 1 2 248.301 1.568 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(C)[nH+]c(CC)n1 ZINC000491746754 388317194 /nfs/dbraw/zinc/31/71/94/388317194.db2.gz YVRGZNQXXWJRFK-SNVBAGLBSA-N 1 2 203.289 1.805 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(CC2CC2)nn1 ZINC000491775776 388319527 /nfs/dbraw/zinc/31/95/27/388319527.db2.gz XKAZRAYUIVRQSA-UHFFFAOYSA-N 1 2 218.304 1.143 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(CC2CC2)nn1 ZINC000491775776 388319528 /nfs/dbraw/zinc/31/95/28/388319528.db2.gz XKAZRAYUIVRQSA-UHFFFAOYSA-N 1 2 218.304 1.143 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000491776061 388319902 /nfs/dbraw/zinc/31/99/02/388319902.db2.gz FMZJSTDLBYGODG-LLVKDONJSA-N 1 2 241.298 1.251 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cnc(-c2ccccn2)n1 ZINC000491776061 388319903 /nfs/dbraw/zinc/31/99/03/388319903.db2.gz FMZJSTDLBYGODG-LLVKDONJSA-N 1 2 241.298 1.251 20 30 BDEDLO C#CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491809111 388322533 /nfs/dbraw/zinc/32/25/33/388322533.db2.gz FYTNPSNEWVEQBX-UHFFFAOYSA-N 1 2 244.254 1.536 20 30 BDEDLO C#CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491809111 388322534 /nfs/dbraw/zinc/32/25/34/388322534.db2.gz FYTNPSNEWVEQBX-UHFFFAOYSA-N 1 2 244.254 1.536 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000491180821 388275267 /nfs/dbraw/zinc/27/52/67/388275267.db2.gz NYPKDHXMHDXPLX-MRVPVSSYSA-N 1 2 236.237 1.009 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000491180821 388275268 /nfs/dbraw/zinc/27/52/68/388275268.db2.gz NYPKDHXMHDXPLX-MRVPVSSYSA-N 1 2 236.237 1.009 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)nc1 ZINC000594001064 388346695 /nfs/dbraw/zinc/34/66/95/388346695.db2.gz OBWIXQNSDJJUQZ-SNVBAGLBSA-N 1 2 205.236 1.497 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)nc1 ZINC000594001064 388346696 /nfs/dbraw/zinc/34/66/96/388346696.db2.gz OBWIXQNSDJJUQZ-SNVBAGLBSA-N 1 2 205.236 1.497 20 30 BDEDLO CC(C)[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572965432 388400682 /nfs/dbraw/zinc/40/06/82/388400682.db2.gz ONSMZSFPZKDXKY-ZYHUDNBSSA-N 1 2 225.336 1.239 20 30 BDEDLO Cc1cc(C)c(C#N)c(NCCn2cc[nH+]c2)n1 ZINC000042293820 388443033 /nfs/dbraw/zinc/44/30/33/388443033.db2.gz PXXVSJKOVNKQQN-UHFFFAOYSA-N 1 2 241.298 1.879 20 30 BDEDLO C=CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649216920 388459567 /nfs/dbraw/zinc/45/95/67/388459567.db2.gz KMPUSYCJVKYOTP-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO Cc1cc(N(C)C[C@H]2COCCO2)c(C#N)c[nH+]1 ZINC000596457380 388415998 /nfs/dbraw/zinc/41/59/98/388415998.db2.gz NQWMKPOXQFOQCV-LBPRGKRZSA-N 1 2 247.298 1.113 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CCC1 ZINC000573176513 388427350 /nfs/dbraw/zinc/42/73/50/388427350.db2.gz KYOLSXFDMAKEKS-LBPRGKRZSA-N 1 2 247.342 1.423 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)CCC1 ZINC000573176513 388427353 /nfs/dbraw/zinc/42/73/53/388427353.db2.gz KYOLSXFDMAKEKS-LBPRGKRZSA-N 1 2 247.342 1.423 20 30 BDEDLO CC#CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000547852950 388493044 /nfs/dbraw/zinc/49/30/44/388493044.db2.gz YOGFQSFUMUZENT-UHFFFAOYSA-N 1 2 248.330 1.376 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccnn2C)cc1C#N ZINC000355285277 388602558 /nfs/dbraw/zinc/60/25/58/388602558.db2.gz GQZYUKTZUJAEQS-UHFFFAOYSA-N 1 2 243.314 1.262 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccnn2C)cc1C#N ZINC000355285277 388602561 /nfs/dbraw/zinc/60/25/61/388602561.db2.gz GQZYUKTZUJAEQS-UHFFFAOYSA-N 1 2 243.314 1.262 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C#N)ccn12 ZINC000521269146 388566654 /nfs/dbraw/zinc/56/66/54/388566654.db2.gz RRVPXFFFAAXBJJ-QMMMGPOBSA-N 1 2 228.255 1.285 20 30 BDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000519620300 388665870 /nfs/dbraw/zinc/66/58/70/388665870.db2.gz ZNSLUHCOHRCIGI-MRVPVSSYSA-N 1 2 243.270 1.409 20 30 BDEDLO C[C@H]1C[C@H](Nc2ncncc2C#N)c2[nH+]ccn21 ZINC000520222971 388668180 /nfs/dbraw/zinc/66/81/80/388668180.db2.gz IEWGPCLJKRJSTA-WPRPVWTQSA-N 1 2 240.270 1.085 20 30 BDEDLO CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H](C)C#N ZINC000246601004 388645346 /nfs/dbraw/zinc/64/53/46/388645346.db2.gz QPGVXHLJUSQMLZ-GHMZBOCLSA-N 1 2 246.376 1.149 20 30 BDEDLO CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H](C)C#N ZINC000246601004 388645347 /nfs/dbraw/zinc/64/53/47/388645347.db2.gz QPGVXHLJUSQMLZ-GHMZBOCLSA-N 1 2 246.376 1.149 20 30 BDEDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000414524945 388664465 /nfs/dbraw/zinc/66/44/65/388664465.db2.gz LCFVCWGTVKVVIA-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000414524945 388664468 /nfs/dbraw/zinc/66/44/68/388664468.db2.gz LCFVCWGTVKVVIA-SCZZXKLOSA-N 1 2 237.328 1.217 20 30 BDEDLO CN(Cc1cc(C#N)n(C)c1)Cc1[nH+]ccn1C ZINC000276822847 388742697 /nfs/dbraw/zinc/74/26/97/388742697.db2.gz ZOGGLJVWKPVOOD-UHFFFAOYSA-N 1 2 243.314 1.262 20 30 BDEDLO CC[C@]1(C)C[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000248889806 388698007 /nfs/dbraw/zinc/69/80/07/388698007.db2.gz FOSLRXZNLCSORY-CHWSQXEVSA-N 1 2 235.331 1.931 20 30 BDEDLO CC[C@]1(C)C[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000248889806 388698008 /nfs/dbraw/zinc/69/80/08/388698008.db2.gz FOSLRXZNLCSORY-CHWSQXEVSA-N 1 2 235.331 1.931 20 30 BDEDLO CO[C@H]1CCC[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425251926 388702213 /nfs/dbraw/zinc/70/22/13/388702213.db2.gz YQFXRBUQPAHBIH-FZMZJTMJSA-N 1 2 245.326 1.911 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1cnccc1C#N ZINC000428121929 388720016 /nfs/dbraw/zinc/72/00/16/388720016.db2.gz RBFRZBALZSGCGY-UHFFFAOYSA-N 1 2 213.244 1.313 20 30 BDEDLO N#Cc1cccc(NCCCn2cc[nH+]c2)n1 ZINC000081595405 388720851 /nfs/dbraw/zinc/72/08/51/388720851.db2.gz UNGKVWWPBNIJCA-UHFFFAOYSA-N 1 2 227.271 1.652 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)NCCn1cc[nH+]c1 ZINC000280562829 388783722 /nfs/dbraw/zinc/78/37/22/388783722.db2.gz KOYWHVWZWSEURA-UHFFFAOYSA-N 1 2 244.254 1.086 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ncn(C)n1 ZINC000391945962 388786854 /nfs/dbraw/zinc/78/68/54/388786854.db2.gz QTZOBQBYXCHTIO-MRVPVSSYSA-N 1 2 247.327 1.599 20 30 BDEDLO Cn1c[nH+]cc1C[S@@](=O)CCC(C)(C)C#N ZINC000572545801 388820694 /nfs/dbraw/zinc/82/06/94/388820694.db2.gz NKODPEXHULRMKP-INIZCTEOSA-N 1 2 239.344 1.609 20 30 BDEDLO C=CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000554572080 388822777 /nfs/dbraw/zinc/82/27/77/388822777.db2.gz FTWNWNYFTGBBCX-VIFPVBQESA-N 1 2 207.277 1.043 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC000129380015 388836340 /nfs/dbraw/zinc/83/63/40/388836340.db2.gz JGBQHRSBEFCTFS-SNVBAGLBSA-N 1 2 229.320 1.245 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCCC#N ZINC000129502769 388848632 /nfs/dbraw/zinc/84/86/32/388848632.db2.gz XIWDMRGHNSZHFU-SNVBAGLBSA-N 1 2 212.293 1.562 20 30 BDEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCCC#N ZINC000129502769 388848636 /nfs/dbraw/zinc/84/86/36/388848636.db2.gz XIWDMRGHNSZHFU-SNVBAGLBSA-N 1 2 212.293 1.562 20 30 BDEDLO C[C@H](CC(=O)N(C)CC(C)(C)C#N)n1cc[nH+]c1 ZINC000564458788 388876595 /nfs/dbraw/zinc/87/65/95/388876595.db2.gz JSTZQUPMIQBJLJ-LLVKDONJSA-N 1 2 248.330 1.842 20 30 BDEDLO Cc1nnsc1C[NH+]1CCC(C)(C#N)CC1 ZINC000565043751 388911096 /nfs/dbraw/zinc/91/10/96/388911096.db2.gz KEHUCDMXRRXNGG-UHFFFAOYSA-N 1 2 236.344 1.972 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289660367 533234924 /nfs/dbraw/zinc/23/49/24/533234924.db2.gz YODXPNFTLKDOIS-MRVPVSSYSA-N 1 2 238.312 1.300 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000171943267 132290763 /nfs/dbraw/zinc/29/07/63/132290763.db2.gz SXHXULONLBYTEO-UHFFFAOYSA-N 1 2 242.322 1.531 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000171943267 132290765 /nfs/dbraw/zinc/29/07/65/132290765.db2.gz SXHXULONLBYTEO-UHFFFAOYSA-N 1 2 242.322 1.531 20 30 BDEDLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330305153 134001160 /nfs/dbraw/zinc/00/11/60/134001160.db2.gz KSRXIIATELBHKA-OUAUKWLOSA-N 1 2 249.314 1.579 20 30 BDEDLO Cc1cnc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000332127856 134004071 /nfs/dbraw/zinc/00/40/71/134004071.db2.gz JBZUDDMHXBAXOX-UHFFFAOYSA-N 1 2 230.315 1.911 20 30 BDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332339526 134004373 /nfs/dbraw/zinc/00/43/73/134004373.db2.gz DQEUJJDSFYDBBI-MFKMUULPSA-N 1 2 249.314 1.400 20 30 BDEDLO CN1CC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000335944558 134019109 /nfs/dbraw/zinc/01/91/09/134019109.db2.gz SFXJIXAZAKWZKQ-LLVKDONJSA-N 1 2 249.339 1.282 20 30 BDEDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000335944558 134019110 /nfs/dbraw/zinc/01/91/10/134019110.db2.gz SFXJIXAZAKWZKQ-LLVKDONJSA-N 1 2 249.339 1.282 20 30 BDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC1(C#N)CC1 ZINC000351992101 134031385 /nfs/dbraw/zinc/03/13/85/134031385.db2.gz BLKGRZMRIFHJPT-CHWSQXEVSA-N 1 2 249.358 1.085 20 30 BDEDLO C[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000336139629 134097294 /nfs/dbraw/zinc/09/72/94/134097294.db2.gz ILYASSMYUKQFMT-UHFFFAOYSA-N 1 2 235.312 1.007 20 30 BDEDLO Cc1nccc(C[NH+]2CCC(F)(C#N)CC2)n1 ZINC000352467799 134146298 /nfs/dbraw/zinc/14/62/98/134146298.db2.gz NYSSOCRCAXCFRA-UHFFFAOYSA-N 1 2 234.278 1.613 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)C#N ZINC000336436479 134147088 /nfs/dbraw/zinc/14/70/88/134147088.db2.gz WXDXAOLJCZDPIB-UHFFFAOYSA-N 1 2 232.287 1.483 20 30 BDEDLO CC#CC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352888774 134156838 /nfs/dbraw/zinc/15/68/38/134156838.db2.gz QGGSMDXOCQBELE-MISXGVKJSA-N 1 2 213.346 1.241 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352888774 134156839 /nfs/dbraw/zinc/15/68/39/134156839.db2.gz QGGSMDXOCQBELE-MISXGVKJSA-N 1 2 213.346 1.241 20 30 BDEDLO C=CCOCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000354793889 134169923 /nfs/dbraw/zinc/16/99/23/134169923.db2.gz WTOHOQUVPBAXHQ-UHFFFAOYSA-N 1 2 249.314 1.318 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000354980014 134171375 /nfs/dbraw/zinc/17/13/75/134171375.db2.gz LTHLMZMGCLPFFB-UONOGXRCSA-N 1 2 242.322 1.750 20 30 BDEDLO CCOCCC[N@H+](CC#N)C[C@H](C)C(=O)OC ZINC000114730238 134194243 /nfs/dbraw/zinc/19/42/43/134194243.db2.gz XGGNBMASNYXARQ-NSHDSACASA-N 1 2 242.319 1.048 20 30 BDEDLO CCOCCC[N@@H+](CC#N)C[C@H](C)C(=O)OC ZINC000114730238 134194244 /nfs/dbraw/zinc/19/42/44/134194244.db2.gz XGGNBMASNYXARQ-NSHDSACASA-N 1 2 242.319 1.048 20 30 BDEDLO C=CCOC[C@@H]([NH2+][C@@H](CC)C(C)C)C(=O)OC ZINC000361109563 134203646 /nfs/dbraw/zinc/20/36/46/134203646.db2.gz NGPSRWRRCCOWGT-NWDGAFQWSA-N 1 2 243.347 1.755 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@H](C)CC)C(=O)OC ZINC000361111638 134203703 /nfs/dbraw/zinc/20/37/03/134203703.db2.gz UGWFEWSTLBWFMS-UTUOFQBUSA-N 1 2 243.347 1.755 20 30 BDEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cccnc1 ZINC000361824710 134207847 /nfs/dbraw/zinc/20/78/47/134207847.db2.gz GARMMLPBFMMUCU-UHFFFAOYSA-N 1 2 246.314 1.646 20 30 BDEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cccnc1 ZINC000361824710 134207848 /nfs/dbraw/zinc/20/78/48/134207848.db2.gz GARMMLPBFMMUCU-UHFFFAOYSA-N 1 2 246.314 1.646 20 30 BDEDLO N#CCCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000369237896 134222022 /nfs/dbraw/zinc/22/20/22/134222022.db2.gz CLOXKLFRJGFLFF-SNVBAGLBSA-N 1 2 220.276 1.900 20 30 BDEDLO N#CCCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000369237896 134222023 /nfs/dbraw/zinc/22/20/23/134222023.db2.gz CLOXKLFRJGFLFF-SNVBAGLBSA-N 1 2 220.276 1.900 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374540245 134237331 /nfs/dbraw/zinc/23/73/31/134237331.db2.gz WMBGRMLRJZMJMV-OAHLLOKOSA-N 1 2 244.338 1.926 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374540245 134237332 /nfs/dbraw/zinc/23/73/32/134237332.db2.gz WMBGRMLRJZMJMV-OAHLLOKOSA-N 1 2 244.338 1.926 20 30 BDEDLO C=C(C)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526971 134243957 /nfs/dbraw/zinc/24/39/57/134243957.db2.gz YBJWLOGHSYNHRH-VIFPVBQESA-N 1 2 222.292 1.266 20 30 BDEDLO C=C(C)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526971 134243958 /nfs/dbraw/zinc/24/39/58/134243958.db2.gz YBJWLOGHSYNHRH-VIFPVBQESA-N 1 2 222.292 1.266 20 30 BDEDLO C#CCOCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378522586 134246135 /nfs/dbraw/zinc/24/61/35/134246135.db2.gz PJCOQSZFVCMRMX-LLVKDONJSA-N 1 2 247.298 1.113 20 30 BDEDLO CCn1cnnc1C[NH2+]Cc1cccc(C#N)c1 ZINC000218233080 134252650 /nfs/dbraw/zinc/25/26/50/134252650.db2.gz DDFMRADPHFUWTI-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000044766328 322842369 /nfs/dbraw/zinc/84/23/69/322842369.db2.gz GLWNWGVSRPBNEC-UHFFFAOYSA-N 1 2 249.358 1.623 20 30 BDEDLO CCN(CC[N@@H+]1CCOC[C@H]1C)C[C@@H](C)C#N ZINC000249088132 135032131 /nfs/dbraw/zinc/03/21/31/135032131.db2.gz UEHPKZZDOWBBTR-QWHCGFSZSA-N 1 2 239.363 1.189 20 30 BDEDLO CCN(CC[N@H+]1CCOC[C@H]1C)C[C@@H](C)C#N ZINC000249088132 135032132 /nfs/dbraw/zinc/03/21/32/135032132.db2.gz UEHPKZZDOWBBTR-QWHCGFSZSA-N 1 2 239.363 1.189 20 30 BDEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](C)[S@@]1=O ZINC000339126132 135060085 /nfs/dbraw/zinc/06/00/85/135060085.db2.gz FROBSLWSKWHBGE-OYLDRBDASA-N 1 2 240.372 1.520 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](C)[S@@]1=O ZINC000339126132 135060088 /nfs/dbraw/zinc/06/00/88/135060088.db2.gz FROBSLWSKWHBGE-OYLDRBDASA-N 1 2 240.372 1.520 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000251128502 135064489 /nfs/dbraw/zinc/06/44/89/135064489.db2.gz SUWIZHSWUASTKX-NWDGAFQWSA-N 1 2 237.347 1.479 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000251128502 135064491 /nfs/dbraw/zinc/06/44/91/135064491.db2.gz SUWIZHSWUASTKX-NWDGAFQWSA-N 1 2 237.347 1.479 20 30 BDEDLO C=CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339229734 135067069 /nfs/dbraw/zinc/06/70/69/135067069.db2.gz JANAKWRRLGLWHL-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339229734 135067071 /nfs/dbraw/zinc/06/70/71/135067071.db2.gz JANAKWRRLGLWHL-NWDGAFQWSA-N 1 2 240.347 1.178 20 30 BDEDLO COC[C@@H]1CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000339280201 135068771 /nfs/dbraw/zinc/06/87/71/135068771.db2.gz FZDAMHBOHPOYGN-QWRGUYRKSA-N 1 2 207.277 1.151 20 30 BDEDLO COC[C@@H]1CC[N@H+]1C[C@H](C#N)CCC#N ZINC000339280201 135068773 /nfs/dbraw/zinc/06/87/73/135068773.db2.gz FZDAMHBOHPOYGN-QWRGUYRKSA-N 1 2 207.277 1.151 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCCC#N ZINC000264127548 135134445 /nfs/dbraw/zinc/13/44/45/135134445.db2.gz NISKIVBPNLLODM-NSHDSACASA-N 1 2 249.318 1.265 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1cscn1 ZINC000293414854 135179674 /nfs/dbraw/zinc/17/96/74/135179674.db2.gz IHPGQTMONOAUNY-UHFFFAOYSA-N 1 2 212.318 1.778 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1cscn1 ZINC000293414854 135179675 /nfs/dbraw/zinc/17/96/75/135179675.db2.gz IHPGQTMONOAUNY-UHFFFAOYSA-N 1 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237.347 1.084 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000342476995 135278806 /nfs/dbraw/zinc/27/88/06/135278806.db2.gz FVTZQTMWQPYGGG-UPJWGTAASA-N 1 2 237.347 1.084 20 30 BDEDLO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000278858302 135369266 /nfs/dbraw/zinc/36/92/66/135369266.db2.gz WEXXOWGJQBUCOR-JQWIXIFHSA-N 1 2 218.304 1.890 20 30 BDEDLO CC1(C)C[N@H+](CCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000335371971 136083846 /nfs/dbraw/zinc/08/38/46/136083846.db2.gz RZJNHCYJFMTYIP-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO CC1(C)C[N@@H+](CCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000335371971 136083847 /nfs/dbraw/zinc/08/38/47/136083847.db2.gz RZJNHCYJFMTYIP-WDEREUQCSA-N 1 2 208.305 1.789 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335554322 136099124 /nfs/dbraw/zinc/09/91/24/136099124.db2.gz UBIOGFUWJOQXRO-LLVKDONJSA-N 1 2 233.315 1.480 20 30 BDEDLO C=CC[N@@H+](Cc1snnc1C)C1CC1 ZINC000649573130 397965246 /nfs/dbraw/zinc/96/52/46/397965246.db2.gz UYJWAOSPWRRKBD-UHFFFAOYSA-N 1 2 209.318 1.997 20 30 BDEDLO C=CC[N@H+](Cc1snnc1C)C1CC1 ZINC000649573130 397965249 /nfs/dbraw/zinc/96/52/49/397965249.db2.gz UYJWAOSPWRRKBD-UHFFFAOYSA-N 1 2 209.318 1.997 20 30 BDEDLO C[C@@H](CNc1nccc(C#N)n1)Cn1cc[nH+]c1 ZINC000295473179 397915877 /nfs/dbraw/zinc/91/58/77/397915877.db2.gz ISVIOUPBVWTGRO-JTQLQIEISA-N 1 2 242.286 1.293 20 30 BDEDLO C[C@H](NC(=O)NCCCC#N)c1[nH+]ccn1C ZINC000595579569 397990526 /nfs/dbraw/zinc/99/05/26/397990526.db2.gz JZXSBSSQZXROGF-VIFPVBQESA-N 1 2 235.291 1.084 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000491506287 398044294 /nfs/dbraw/zinc/04/42/94/398044294.db2.gz OTNXEVZJUOFZIK-UHFFFAOYSA-N 1 2 229.230 1.851 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000491506287 398044296 /nfs/dbraw/zinc/04/42/96/398044296.db2.gz OTNXEVZJUOFZIK-UHFFFAOYSA-N 1 2 229.230 1.851 20 30 BDEDLO Cc1nnc(C[N@@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595623216 397993491 /nfs/dbraw/zinc/99/34/91/397993491.db2.gz JZCBVEYNELPBRR-SNVBAGLBSA-N 1 2 219.292 1.239 20 30 BDEDLO Cc1nnc(C[N@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595623216 397993495 /nfs/dbraw/zinc/99/34/95/397993495.db2.gz JZCBVEYNELPBRR-SNVBAGLBSA-N 1 2 219.292 1.239 20 30 BDEDLO C#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000491276671 398036379 /nfs/dbraw/zinc/03/63/79/398036379.db2.gz KQMBGJXJSIOEIO-NSHDSACASA-N 1 2 243.310 1.070 20 30 BDEDLO C=C(C)C[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451730906 397980985 /nfs/dbraw/zinc/98/09/85/397980985.db2.gz AKOIWZYFGSFZBV-UHFFFAOYSA-N 1 2 235.287 1.131 20 30 BDEDLO C=C(C)C[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451730906 397980989 /nfs/dbraw/zinc/98/09/89/397980989.db2.gz AKOIWZYFGSFZBV-UHFFFAOYSA-N 1 2 235.287 1.131 20 30 BDEDLO C#CC[N@@H+](Cc1cccc(O)c1OC)C1CC1 ZINC000491674791 398058519 /nfs/dbraw/zinc/05/85/19/398058519.db2.gz WPTDDEIPNJSVMT-UHFFFAOYSA-N 1 2 231.295 1.998 20 30 BDEDLO C#CC[N@H+](Cc1cccc(O)c1OC)C1CC1 ZINC000491674791 398058524 /nfs/dbraw/zinc/05/85/24/398058524.db2.gz WPTDDEIPNJSVMT-UHFFFAOYSA-N 1 2 231.295 1.998 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOC(C)(C)C ZINC000491671230 398058678 /nfs/dbraw/zinc/05/86/78/398058678.db2.gz FNAWMABYQBSDOH-LLVKDONJSA-N 1 2 211.305 1.136 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOC(C)(C)C ZINC000491671230 398058680 /nfs/dbraw/zinc/05/86/80/398058680.db2.gz FNAWMABYQBSDOH-LLVKDONJSA-N 1 2 211.305 1.136 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnccc1OC ZINC000293137923 398112428 /nfs/dbraw/zinc/11/24/28/398112428.db2.gz NHUAYBOWOLDBGD-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnccc1OC ZINC000293137923 398112434 /nfs/dbraw/zinc/11/24/34/398112434.db2.gz NHUAYBOWOLDBGD-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO C#CCCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000177367467 166125325 /nfs/dbraw/zinc/12/53/25/166125325.db2.gz VCYIACVNHRSGQZ-UHFFFAOYSA-N 1 2 241.294 1.868 20 30 BDEDLO COCC#CC[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662359830 409672790 /nfs/dbraw/zinc/67/27/90/409672790.db2.gz NLAZMVCYPRYQHZ-PWSUYJOCSA-N 1 2 247.285 1.381 20 30 BDEDLO COCC#CC[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662359830 409672798 /nfs/dbraw/zinc/67/27/98/409672798.db2.gz NLAZMVCYPRYQHZ-PWSUYJOCSA-N 1 2 247.285 1.381 20 30 BDEDLO C=CC[N@H+](Cc1ccon1)[C@H](C)COC ZINC000661239991 410399254 /nfs/dbraw/zinc/39/92/54/410399254.db2.gz KFPCLDABRMMWQP-SNVBAGLBSA-N 1 2 210.277 1.698 20 30 BDEDLO C=CC[N@@H+](Cc1ccon1)[C@H](C)COC ZINC000661239991 410399259 /nfs/dbraw/zinc/39/92/59/410399259.db2.gz KFPCLDABRMMWQP-SNVBAGLBSA-N 1 2 210.277 1.698 20 30 BDEDLO C=CCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000665945080 487616742 /nfs/dbraw/zinc/61/67/42/487616742.db2.gz CRVYSJCBVZKLSP-UHFFFAOYSA-N 1 2 248.330 1.806 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)OCc1ccccc1 ZINC000267245507 166167823 /nfs/dbraw/zinc/16/78/23/166167823.db2.gz FTRGYTNAPBANCH-UHFFFAOYSA-N 1 2 231.295 1.685 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)OCc1ccccc1 ZINC000267245507 166167824 /nfs/dbraw/zinc/16/78/24/166167824.db2.gz FTRGYTNAPBANCH-UHFFFAOYSA-N 1 2 231.295 1.685 20 30 BDEDLO C=CCCCNC(=O)NCCn1cc[nH+]c1 ZINC000279615009 166237873 /nfs/dbraw/zinc/23/78/73/166237873.db2.gz SJYKYLWEEBLWLJ-UHFFFAOYSA-N 1 2 222.292 1.149 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nnc(OCC)s1 ZINC000276411189 166259233 /nfs/dbraw/zinc/25/92/33/166259233.db2.gz LPYRTHDWIBBAHR-UHFFFAOYSA-N 1 2 227.333 1.945 20 30 BDEDLO C=CCC[N@H+](C)Cc1nnc(OCC)s1 ZINC000276411189 166259234 /nfs/dbraw/zinc/25/92/34/166259234.db2.gz LPYRTHDWIBBAHR-UHFFFAOYSA-N 1 2 227.333 1.945 20 30 BDEDLO C=CCC[N@@H+]1CCO[C@@H](c2nnc(CC)o2)C1 ZINC000279123681 166264867 /nfs/dbraw/zinc/26/48/67/166264867.db2.gz LXPNMRARGWPXTH-SNVBAGLBSA-N 1 2 237.303 1.581 20 30 BDEDLO C=CCC[N@H+]1CCO[C@@H](c2nnc(CC)o2)C1 ZINC000279123681 166264870 /nfs/dbraw/zinc/26/48/70/166264870.db2.gz LXPNMRARGWPXTH-SNVBAGLBSA-N 1 2 237.303 1.581 20 30 BDEDLO C=CC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265906512 166322720 /nfs/dbraw/zinc/32/27/20/166322720.db2.gz WOXAFGGRMNJLCK-UHFFFAOYSA-N 1 2 239.340 1.708 20 30 BDEDLO C=CC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265906512 166322722 /nfs/dbraw/zinc/32/27/22/166322722.db2.gz WOXAFGGRMNJLCK-UHFFFAOYSA-N 1 2 239.340 1.708 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493541201 411138978 /nfs/dbraw/zinc/13/89/78/411138978.db2.gz BUCBWHORSHLBJL-MLRMMBSGSA-N 1 2 231.299 1.990 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000048811507 411217854 /nfs/dbraw/zinc/21/78/54/411217854.db2.gz OXXXEMZGEFFBCJ-UHFFFAOYSA-N 1 2 248.326 1.429 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccccc1OC ZINC000048811507 411217858 /nfs/dbraw/zinc/21/78/58/411217858.db2.gz OXXXEMZGEFFBCJ-UHFFFAOYSA-N 1 2 248.326 1.429 20 30 BDEDLO C=CC[N@@H+](Cc1nncn1C)C(C)(C)C ZINC000661759894 411308013 /nfs/dbraw/zinc/30/80/13/411308013.db2.gz LMQSSEOPYKYYNM-UHFFFAOYSA-N 1 2 208.309 1.602 20 30 BDEDLO C=CC[N@H+](Cc1nncn1C)C(C)(C)C ZINC000661759894 411308015 /nfs/dbraw/zinc/30/80/15/411308015.db2.gz LMQSSEOPYKYYNM-UHFFFAOYSA-N 1 2 208.309 1.602 20 30 BDEDLO C#CC(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491451969 411393891 /nfs/dbraw/zinc/39/38/91/411393891.db2.gz IOWNIBLNKGNMBB-JTQLQIEISA-N 1 2 219.288 1.362 20 30 BDEDLO C=CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000660338697 411571664 /nfs/dbraw/zinc/57/16/64/411571664.db2.gz DDPRTKVEIWIONO-UHFFFAOYSA-N 1 2 248.330 1.523 20 30 BDEDLO C=C(CC)C[NH+]1CCN(c2ncns2)CC1 ZINC000660708344 411618602 /nfs/dbraw/zinc/61/86/02/411618602.db2.gz YDFJOMQJZRLGAW-UHFFFAOYSA-N 1 2 238.360 1.626 20 30 BDEDLO C=CCCCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660727014 411619615 /nfs/dbraw/zinc/61/96/15/411619615.db2.gz FBHOCDKXWZOMQP-UHFFFAOYSA-N 1 2 245.388 1.852 20 30 BDEDLO C=CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000661570947 411806049 /nfs/dbraw/zinc/80/60/49/411806049.db2.gz VABWPOZSXWJMES-UHFFFAOYSA-N 1 2 236.319 1.491 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CO)C1 ZINC000267331298 176013195 /nfs/dbraw/zinc/01/31/95/176013195.db2.gz AFIOMCJVOLORIV-FZMZJTMJSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CO)C1 ZINC000267331298 176013197 /nfs/dbraw/zinc/01/31/97/176013197.db2.gz AFIOMCJVOLORIV-FZMZJTMJSA-N 1 2 246.310 1.312 20 30 BDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000293338708 176284315 /nfs/dbraw/zinc/28/43/15/176284315.db2.gz GXQSAAYLBXFAIH-RKDXNWHRSA-N 1 2 249.339 1.898 20 30 BDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000293338708 176284316 /nfs/dbraw/zinc/28/43/16/176284316.db2.gz GXQSAAYLBXFAIH-RKDXNWHRSA-N 1 2 249.339 1.898 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000035775895 176335349 /nfs/dbraw/zinc/33/53/49/176335349.db2.gz AWXUKHQRYVVRQN-GFCCVEGCSA-N 1 2 246.310 1.658 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000035775895 176335352 /nfs/dbraw/zinc/33/53/52/176335352.db2.gz AWXUKHQRYVVRQN-GFCCVEGCSA-N 1 2 246.310 1.658 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000035237079 176337381 /nfs/dbraw/zinc/33/73/81/176337381.db2.gz LGMAIJZZYNWMRK-LLVKDONJSA-N 1 2 216.284 1.779 20 30 BDEDLO C[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000035237079 176337382 /nfs/dbraw/zinc/33/73/82/176337382.db2.gz LGMAIJZZYNWMRK-LLVKDONJSA-N 1 2 216.284 1.779 20 30 BDEDLO C[C@H](O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356416127 177009288 /nfs/dbraw/zinc/00/92/88/177009288.db2.gz DJGCVOSKMDMJSD-DTWKUNHWSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356416127 177009290 /nfs/dbraw/zinc/00/92/90/177009290.db2.gz DJGCVOSKMDMJSD-DTWKUNHWSA-N 1 2 237.328 1.217 20 30 BDEDLO C[C@H]1CC[N@H+](CC2(C#N)CC2)[C@@H](C(N)=O)C1 ZINC000336530792 177158483 /nfs/dbraw/zinc/15/84/83/177158483.db2.gz WMNWKGDUZFNQGD-VHSXEESVSA-N 1 2 221.304 1.926 20 30 BDEDLO C[C@H]1CC[N@@H+](CC2(C#N)CC2)[C@@H](C(N)=O)C1 ZINC000336530792 177158485 /nfs/dbraw/zinc/15/84/85/177158485.db2.gz WMNWKGDUZFNQGD-VHSXEESVSA-N 1 2 221.304 1.926 20 30 BDEDLO C[C@H]1CC[N@H+](CC2(C#N)CC2)[C@H](C(N)=O)C1 ZINC000336530791 177158840 /nfs/dbraw/zinc/15/88/40/177158840.db2.gz WMNWKGDUZFNQGD-UWVGGRQHSA-N 1 2 221.304 1.926 20 30 BDEDLO C[C@H]1CC[N@@H+](CC2(C#N)CC2)[C@H](C(N)=O)C1 ZINC000336530791 177158843 /nfs/dbraw/zinc/15/88/43/177158843.db2.gz WMNWKGDUZFNQGD-UWVGGRQHSA-N 1 2 221.304 1.926 20 30 BDEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000336558389 177270924 /nfs/dbraw/zinc/27/09/24/177270924.db2.gz XLKDFVBKRKEQQT-YUMQZZPRSA-N 1 2 207.302 1.855 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000336558389 177270925 /nfs/dbraw/zinc/27/09/25/177270925.db2.gz XLKDFVBKRKEQQT-YUMQZZPRSA-N 1 2 207.302 1.855 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000035775897 177292819 /nfs/dbraw/zinc/29/28/19/177292819.db2.gz AWXUKHQRYVVRQN-LBPRGKRZSA-N 1 2 246.310 1.658 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000035775897 177292822 /nfs/dbraw/zinc/29/28/22/177292822.db2.gz AWXUKHQRYVVRQN-LBPRGKRZSA-N 1 2 246.310 1.658 20 30 BDEDLO N#CC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493718520 226250898 /nfs/dbraw/zinc/25/08/98/226250898.db2.gz GEMKOXNKJOSVSE-OWOJBTEDSA-N 1 2 230.271 1.185 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000671629059 487658848 /nfs/dbraw/zinc/65/88/48/487658848.db2.gz PQFKJKNAMSXPFF-GFCCVEGCSA-N 1 2 219.288 1.196 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000671629059 487658853 /nfs/dbraw/zinc/65/88/53/487658853.db2.gz PQFKJKNAMSXPFF-GFCCVEGCSA-N 1 2 219.288 1.196 20 30 BDEDLO C=C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000674957299 487661022 /nfs/dbraw/zinc/66/10/22/487661022.db2.gz RKVAYVMDQORUTL-LLVKDONJSA-N 1 2 243.310 1.876 20 30 BDEDLO C=C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000674954695 487660910 /nfs/dbraw/zinc/66/09/10/487660910.db2.gz AJNUYSJXGMQCOR-SNVBAGLBSA-N 1 2 207.277 1.354 20 30 BDEDLO C=C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000674957300 487660989 /nfs/dbraw/zinc/66/09/89/487660989.db2.gz RKVAYVMDQORUTL-NSHDSACASA-N 1 2 243.310 1.876 20 30 BDEDLO C=CCN(CC=C)C(=O)NCCn1cc[nH+]c1 ZINC000298665488 487680848 /nfs/dbraw/zinc/68/08/48/487680848.db2.gz SUKNMAVDRZAEAJ-UHFFFAOYSA-N 1 2 234.303 1.267 20 30 BDEDLO Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000398996922 262774086 /nfs/dbraw/zinc/77/40/86/262774086.db2.gz PYKJPHVPWJRGJG-DGCLKSJQSA-N 1 2 245.326 1.647 20 30 BDEDLO Cc1cc(N[C@H](C)[C@@H](C)CO)c(C#N)c[nH+]1 ZINC000399185454 262778605 /nfs/dbraw/zinc/77/86/05/262778605.db2.gz NOZPNAHRUIBIKJ-WCBMZHEXSA-N 1 2 219.288 1.112 20 30 BDEDLO COCC#CC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000671738851 487716711 /nfs/dbraw/zinc/71/67/11/487716711.db2.gz XTLRYEHMPYNBGQ-GFCCVEGCSA-N 1 2 249.314 1.555 20 30 BDEDLO COCC#CC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000671738851 487716716 /nfs/dbraw/zinc/71/67/16/487716716.db2.gz XTLRYEHMPYNBGQ-GFCCVEGCSA-N 1 2 249.314 1.555 20 30 BDEDLO Cc1cc(NCC2CCOCC2)c(C#N)c[nH+]1 ZINC000399410101 267299718 /nfs/dbraw/zinc/29/97/18/267299718.db2.gz YZVDOCGCYYIUAE-UHFFFAOYSA-N 1 2 231.299 1.522 20 30 BDEDLO Cc1cc(CNc2cc(C)[nH+]cc2C#N)on1 ZINC000399506853 267324105 /nfs/dbraw/zinc/32/41/05/267324105.db2.gz MGHRDQMOSHBLOV-UHFFFAOYSA-N 1 2 228.255 1.592 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000681168678 487735997 /nfs/dbraw/zinc/73/59/97/487735997.db2.gz DWSZWWAMZDTILM-KGLIPLIRSA-N 1 2 239.359 1.914 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000681168678 487736001 /nfs/dbraw/zinc/73/60/01/487736001.db2.gz DWSZWWAMZDTILM-KGLIPLIRSA-N 1 2 239.359 1.914 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000839168890 585095870 /nfs/dbraw/zinc/09/58/70/585095870.db2.gz OCRMNHYTFLRXHR-VHSXEESVSA-N 1 2 227.329 1.037 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CC(C)C)C(=O)OC ZINC000839169503 585096211 /nfs/dbraw/zinc/09/62/11/585096211.db2.gz SRSBLNQANUTRRE-WDEREUQCSA-N 1 2 211.305 1.576 20 30 BDEDLO C=C[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000674934006 487759141 /nfs/dbraw/zinc/75/91/41/487759141.db2.gz ONYATMSKUNCFAK-NSHDSACASA-N 1 2 236.319 1.537 20 30 BDEDLO C=CCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000681671344 487835930 /nfs/dbraw/zinc/83/59/30/487835930.db2.gz ZJUPWTQTGHYBMK-UHFFFAOYSA-N 1 2 215.260 1.285 20 30 BDEDLO CCc1nnc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595609948 487872065 /nfs/dbraw/zinc/87/20/65/487872065.db2.gz QPEIZYUZHUQYFQ-JTQLQIEISA-N 1 2 234.303 1.758 20 30 BDEDLO CCc1nnc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595609948 487872069 /nfs/dbraw/zinc/87/20/69/487872069.db2.gz QPEIZYUZHUQYFQ-JTQLQIEISA-N 1 2 234.303 1.758 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220549407 487945032 /nfs/dbraw/zinc/94/50/32/487945032.db2.gz QMPDFMKKDIXFMW-NSHDSACASA-N 1 2 245.326 1.715 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220549407 487945034 /nfs/dbraw/zinc/94/50/34/487945034.db2.gz QMPDFMKKDIXFMW-NSHDSACASA-N 1 2 245.326 1.715 20 30 BDEDLO N#CC1(C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000562392184 323018884 /nfs/dbraw/zinc/01/88/84/323018884.db2.gz WGVBGGULICMTEN-UHFFFAOYSA-N 1 2 230.267 1.809 20 30 BDEDLO C=CCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000562539124 323023814 /nfs/dbraw/zinc/02/38/14/323023814.db2.gz OVEREESTIPOVNL-UHFFFAOYSA-N 1 2 222.292 1.156 20 30 BDEDLO C=CCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000562539124 323023815 /nfs/dbraw/zinc/02/38/15/323023815.db2.gz OVEREESTIPOVNL-UHFFFAOYSA-N 1 2 222.292 1.156 20 30 BDEDLO C=CCCCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000562539124 323023816 /nfs/dbraw/zinc/02/38/16/323023816.db2.gz OVEREESTIPOVNL-UHFFFAOYSA-N 1 2 222.292 1.156 20 30 BDEDLO C=CCCCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000562539124 323023817 /nfs/dbraw/zinc/02/38/17/323023817.db2.gz OVEREESTIPOVNL-UHFFFAOYSA-N 1 2 222.292 1.156 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000562554353 323024113 /nfs/dbraw/zinc/02/41/13/323024113.db2.gz IHQKOWWPSFLJNC-ZJUUUORDSA-N 1 2 237.303 1.626 20 30 BDEDLO N#CC1(C(=O)Nc2ccc(N)[nH+]c2)CCCC1 ZINC000569734344 323039000 /nfs/dbraw/zinc/03/90/00/323039000.db2.gz CZQDWGZIUVIFIK-UHFFFAOYSA-N 1 2 230.271 1.517 20 30 BDEDLO COC(=O)c1ccc(C[NH2+]CCC#N)cc1OC ZINC000569961437 323045900 /nfs/dbraw/zinc/04/59/00/323045900.db2.gz BBTYFVDWNVOCEU-UHFFFAOYSA-N 1 2 248.282 1.485 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)N(C)CC#N)ccn12 ZINC000570173361 323051886 /nfs/dbraw/zinc/05/18/86/323051886.db2.gz HMJVWSQLHBCLBR-UHFFFAOYSA-N 1 2 228.255 1.238 20 30 BDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000570283392 323055158 /nfs/dbraw/zinc/05/51/58/323055158.db2.gz ZTESKLNDCGTZOK-GHMZBOCLSA-N 1 2 233.315 1.526 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000491626801 323081437 /nfs/dbraw/zinc/08/14/37/323081437.db2.gz LUHBOCLNFGHSLW-SNVBAGLBSA-N 1 2 249.314 1.279 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000491626801 323081438 /nfs/dbraw/zinc/08/14/38/323081438.db2.gz LUHBOCLNFGHSLW-SNVBAGLBSA-N 1 2 249.314 1.279 20 30 BDEDLO Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)c(C)c[nH+]1 ZINC000534324929 323116620 /nfs/dbraw/zinc/11/66/20/323116620.db2.gz PKERDYOCBAMPOW-NSHDSACASA-N 1 2 246.314 1.886 20 30 BDEDLO C=CC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000571179736 323137725 /nfs/dbraw/zinc/13/77/25/323137725.db2.gz VZNLMIYCTBRZMS-CYBMUJFWSA-N 1 2 230.311 1.654 20 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BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000121372445 324010133 /nfs/dbraw/zinc/01/01/33/324010133.db2.gz OOZNCVZAKIIDFB-UHFFFAOYSA-N 1 2 222.263 1.882 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000121372445 324010136 /nfs/dbraw/zinc/01/01/36/324010136.db2.gz OOZNCVZAKIIDFB-UHFFFAOYSA-N 1 2 222.263 1.882 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000131278227 325133341 /nfs/dbraw/zinc/13/33/41/325133341.db2.gz VBJZKNLANULLKQ-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131278227 325133345 /nfs/dbraw/zinc/13/33/45/325133345.db2.gz VBJZKNLANULLKQ-RYUDHWBXSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C(C)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000547629841 325376585 /nfs/dbraw/zinc/37/65/85/325376585.db2.gz NRNQMMVVQUVESF-UHFFFAOYSA-N 1 2 236.319 1.539 20 30 BDEDLO COc1ncccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000554552178 325726826 /nfs/dbraw/zinc/72/68/26/325726826.db2.gz IFLVTWIBAKEVRH-NSHDSACASA-N 1 2 244.298 1.623 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000554842700 325737622 /nfs/dbraw/zinc/73/76/22/325737622.db2.gz BZRBNNQXFOJYAZ-JTQLQIEISA-N 1 2 232.287 1.034 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C[C@@H](C#N)CCC#N ZINC000153334360 325945256 /nfs/dbraw/zinc/94/52/56/325945256.db2.gz UJPZOICHNJDGOP-LLVKDONJSA-N 1 2 231.303 1.295 20 30 BDEDLO CCc1noc(CC)c1C[NH2+]CCC#N ZINC000567684266 326244750 /nfs/dbraw/zinc/24/47/50/326244750.db2.gz FWMPDSALHSPDII-UHFFFAOYSA-N 1 2 207.277 1.803 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1(CCF)CC1 ZINC000568399515 326354311 /nfs/dbraw/zinc/35/43/11/326354311.db2.gz RAOPYSJVQVYLTN-NSHDSACASA-N 1 2 241.310 1.086 20 30 BDEDLO C=C[C@@H](C)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670076908 488054036 /nfs/dbraw/zinc/05/40/36/488054036.db2.gz SPOGNQSMYFLHSF-SECBINFHSA-N 1 2 234.303 1.266 20 30 BDEDLO COCC#CC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000685041008 487495819 /nfs/dbraw/zinc/49/58/19/487495819.db2.gz YDOPNHAWGDRYAR-UHFFFAOYSA-N 1 2 247.342 1.682 20 30 BDEDLO COCC#CC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000685041008 487495822 /nfs/dbraw/zinc/49/58/22/487495822.db2.gz YDOPNHAWGDRYAR-UHFFFAOYSA-N 1 2 247.342 1.682 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc(CCC(C)C)no1 ZINC000662165288 488140959 /nfs/dbraw/zinc/14/09/59/488140959.db2.gz AOKREYACOUJPGM-SNVBAGLBSA-N 1 2 239.319 1.295 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000678049116 488186147 /nfs/dbraw/zinc/18/61/47/488186147.db2.gz DWYZTFPIPXVEDU-YPMHNXCESA-N 1 2 237.299 1.590 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000678049116 488186151 /nfs/dbraw/zinc/18/61/51/488186151.db2.gz DWYZTFPIPXVEDU-YPMHNXCESA-N 1 2 237.299 1.590 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000678052575 488187438 /nfs/dbraw/zinc/18/74/38/488187438.db2.gz ITXTWYOPOOMHMN-SNVBAGLBSA-N 1 2 209.293 1.169 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000678052575 488187440 /nfs/dbraw/zinc/18/74/40/488187440.db2.gz ITXTWYOPOOMHMN-SNVBAGLBSA-N 1 2 209.293 1.169 20 30 BDEDLO COCC#CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000678088556 488195606 /nfs/dbraw/zinc/19/56/06/488195606.db2.gz CCGRKFGCLHGEQF-UHFFFAOYSA-N 1 2 233.286 1.834 20 30 BDEDLO COCC#CC[N@H+]1CCc2cccc(F)c2C1 ZINC000678088556 488195609 /nfs/dbraw/zinc/19/56/09/488195609.db2.gz CCGRKFGCLHGEQF-UHFFFAOYSA-N 1 2 233.286 1.834 20 30 BDEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153379 488241598 /nfs/dbraw/zinc/24/15/98/488241598.db2.gz VVFZGNKPSUZEPD-RYUDHWBXSA-N 1 2 247.342 1.916 20 30 BDEDLO C=CCN(CC=C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298669013 490112868 /nfs/dbraw/zinc/11/28/68/490112868.db2.gz HZWRMUGRZFXUBK-GFCCVEGCSA-N 1 2 248.330 1.655 20 30 BDEDLO N#CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000397623528 490265076 /nfs/dbraw/zinc/26/50/76/490265076.db2.gz LWTMUSOXNRDUCH-LLVKDONJSA-N 1 2 232.287 1.035 20 30 BDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(C)s1 ZINC000283157112 490362384 /nfs/dbraw/zinc/36/23/84/490362384.db2.gz OUCCUDZSTVHZSW-QMMMGPOBSA-N 1 2 209.318 1.863 20 30 BDEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(C)s1 ZINC000283157112 490362391 /nfs/dbraw/zinc/36/23/91/490362391.db2.gz OUCCUDZSTVHZSW-QMMMGPOBSA-N 1 2 209.318 1.863 20 30 BDEDLO C#C[C@H]1COCCN1Cc1cn2ccccc2[nH+]1 ZINC000491641359 491079671 /nfs/dbraw/zinc/07/96/71/491079671.db2.gz QBODEWQXLIROKQ-ZDUSSCGKSA-N 1 2 241.294 1.168 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)co1 ZINC000192227978 491121014 /nfs/dbraw/zinc/12/10/14/491121014.db2.gz SNPLUZDWESPFHY-UHFFFAOYSA-N 1 2 207.229 1.131 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)co1 ZINC000192227978 491121015 /nfs/dbraw/zinc/12/10/15/491121015.db2.gz SNPLUZDWESPFHY-UHFFFAOYSA-N 1 2 207.229 1.131 20 30 BDEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC#N ZINC000493907970 534005167 /nfs/dbraw/zinc/00/51/67/534005167.db2.gz LQANMNHTZMUKLM-JTQLQIEISA-N 1 2 241.335 1.745 20 30 BDEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC#N ZINC000493907970 534005173 /nfs/dbraw/zinc/00/51/73/534005173.db2.gz LQANMNHTZMUKLM-JTQLQIEISA-N 1 2 241.335 1.745 20 30 BDEDLO C=CC[C@H](CO)CNC(=O)Nc1cc[nH+]cc1C ZINC000341708410 534389186 /nfs/dbraw/zinc/38/91/86/534389186.db2.gz WFVBHEKUZRNHEZ-NSHDSACASA-N 1 2 249.314 1.118 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369295937 534439007 /nfs/dbraw/zinc/43/90/07/534439007.db2.gz ZMOHLYGVKCTQPD-QWRGUYRKSA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369295937 534439012 /nfs/dbraw/zinc/43/90/12/534439012.db2.gz ZMOHLYGVKCTQPD-QWRGUYRKSA-N 1 2 231.723 1.619 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000366692640 534447251 /nfs/dbraw/zinc/44/72/51/534447251.db2.gz VYLUJULJGGQFTP-VIFPVBQESA-N 1 2 239.706 1.314 20 30 BDEDLO C=CCC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000339911278 534541065 /nfs/dbraw/zinc/54/10/65/534541065.db2.gz GUOKFPUWVCEPTJ-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000357401122 534688815 /nfs/dbraw/zinc/68/88/15/534688815.db2.gz FEYFEDSDAVQGCR-NSHDSACASA-N 1 2 233.315 1.909 20 30 BDEDLO 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ZHEMWLZIKSLWHH-UHFFFAOYSA-N 1 2 246.354 1.510 20 30 BDEDLO CC#CC[N@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000897167256 583887418 /nfs/dbraw/zinc/88/74/18/583887418.db2.gz INYQTHKDXLWREK-UHFFFAOYSA-N 1 2 248.355 1.863 20 30 BDEDLO CC#CC[N@@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000897167256 583887419 /nfs/dbraw/zinc/88/74/19/583887419.db2.gz INYQTHKDXLWREK-UHFFFAOYSA-N 1 2 248.355 1.863 20 30 BDEDLO C#C[C@@H]1CCCCN1c1cc(NC)[nH+]cn1 ZINC000897360425 583938256 /nfs/dbraw/zinc/93/82/56/583938256.db2.gz GMLIKHRSRYFUBJ-SNVBAGLBSA-N 1 2 216.288 1.510 20 30 BDEDLO C#C[C@@H]1CCCCN1c1cc(NC)nc[nH+]1 ZINC000897360425 583938257 /nfs/dbraw/zinc/93/82/57/583938257.db2.gz GMLIKHRSRYFUBJ-SNVBAGLBSA-N 1 2 216.288 1.510 20 30 BDEDLO COCCCC1(C=[NH+]n2ccnn2)CCC1 ZINC000863118249 583978091 /nfs/dbraw/zinc/97/80/91/583978091.db2.gz SCKUAPGCGFFMOV-UHFFFAOYSA-N 1 2 222.292 1.709 20 30 BDEDLO C#CC[NH+]1CCN(c2nc(Cl)cs2)CC1 ZINC000858338241 588947239 /nfs/dbraw/zinc/94/72/39/588947239.db2.gz UECPOBHHSBYCFV-UHFFFAOYSA-N 1 2 241.747 1.552 20 30 BDEDLO C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866275680 584117072 /nfs/dbraw/zinc/11/70/72/584117072.db2.gz OOXZQKBQPRZUPK-QWRGUYRKSA-N 1 2 248.326 1.933 20 30 BDEDLO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866336732 584118043 /nfs/dbraw/zinc/11/80/43/584118043.db2.gz GYFAGNCVRGYZNA-ZYHUDNBSSA-N 1 2 246.310 1.851 20 30 BDEDLO N#Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)co1 ZINC000898810378 584160194 /nfs/dbraw/zinc/16/01/94/584160194.db2.gz LYNGVRMYHZHLRJ-JTQLQIEISA-N 1 2 242.238 1.223 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900328863 584295174 /nfs/dbraw/zinc/29/51/74/584295174.db2.gz IXQJQTSDCUTQCZ-JTQLQIEISA-N 1 2 232.287 1.112 20 30 BDEDLO C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000900412855 584305990 /nfs/dbraw/zinc/30/59/90/584305990.db2.gz ONEWNLNPQQMHIV-UHFFFAOYSA-N 1 2 245.326 1.747 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)CNc1cccc[nH+]1 ZINC000900567195 584326481 /nfs/dbraw/zinc/32/64/81/584326481.db2.gz ACWAAJAXWIZVPV-SNVBAGLBSA-N 1 2 232.287 1.254 20 30 BDEDLO C#CCCNC(=O)c1ccc(C)[nH+]c1NC ZINC000900711135 584344037 /nfs/dbraw/zinc/34/40/37/584344037.db2.gz SWAMUJNXNYTELD-UHFFFAOYSA-N 1 2 217.272 1.185 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cccc[nH+]1 ZINC000858857151 588977556 /nfs/dbraw/zinc/97/75/56/588977556.db2.gz ZJDWIIHMBRXJIZ-LLVKDONJSA-N 1 2 204.273 1.922 20 30 BDEDLO C#CC[C@H](CCOC)Nc1nc[nH+]c(C)c1OC ZINC000858858480 588979811 /nfs/dbraw/zinc/97/98/11/588979811.db2.gz IOCHVFNKPCFUBV-LLVKDONJSA-N 1 2 249.314 1.634 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1c2c(nn1C)CCC2 ZINC000901236079 584405144 /nfs/dbraw/zinc/40/51/44/584405144.db2.gz MYDJYLGKGTZWIY-UHFFFAOYSA-N 1 2 244.302 1.088 20 30 BDEDLO CC(=[NH+]N1CCCC[C@H]1C)c1c[nH]c(N)n1 ZINC000901262114 584417324 /nfs/dbraw/zinc/41/73/24/584417324.db2.gz UMSDHLRTYXPSGH-MRVPVSSYSA-N 1 2 221.308 1.590 20 30 BDEDLO C[C@H](C=[NH+]n1nnc2c1CCCC2)CCC#N ZINC000901330944 584424380 /nfs/dbraw/zinc/42/43/80/584424380.db2.gz FRPWVPGEOKVAOT-JTQLQIEISA-N 1 2 231.303 1.931 20 30 BDEDLO C[C@H]1C[C@H]1C=[NH+]n1nnc2c1CCCC2 ZINC000901330993 584425018 /nfs/dbraw/zinc/42/50/18/584425018.db2.gz IASCNEXMYLDISC-IUCAKERBSA-N 1 2 204.277 1.647 20 30 BDEDLO Cn1c[nH+]cc1C=NNC1CCC(F)(F)CC1 ZINC000901341785 584428150 /nfs/dbraw/zinc/42/81/50/584428150.db2.gz ONPVIQQDROONQD-UHFFFAOYSA-N 1 2 242.273 1.922 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cn(C)nc1C ZINC000901462489 584450932 /nfs/dbraw/zinc/45/09/32/584450932.db2.gz VZJGFRXLXMONHG-WAYWQWQTSA-N 1 2 244.298 1.841 20 30 BDEDLO CC(C)n1cc(C(=O)/C=C\c2cn(C)c[nH+]2)nn1 ZINC000901529611 584459006 /nfs/dbraw/zinc/45/90/06/584459006.db2.gz ZBLQFNJSEMZXJL-PLNGDYQASA-N 1 2 245.286 1.489 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)n(C)n1 ZINC000901554712 584462576 /nfs/dbraw/zinc/46/25/76/584462576.db2.gz BZHFEHVZLFFLLE-WAYWQWQTSA-N 1 2 244.298 1.841 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)C(=O)OC ZINC000901669151 584477620 /nfs/dbraw/zinc/47/76/20/584477620.db2.gz INEMAGVYJDBANH-XWLWVQCSSA-N 1 2 209.289 1.492 20 30 BDEDLO COc1cn(C[N@H+](C)C[C@@H](C)C#N)c(C)cc1=O ZINC000902077557 584520605 /nfs/dbraw/zinc/52/06/05/584520605.db2.gz ZZRBFNYGKDMWOF-JTQLQIEISA-N 1 2 249.314 1.214 20 30 BDEDLO COc1cn(C[N@@H+](C)C[C@@H](C)C#N)c(C)cc1=O ZINC000902077557 584520607 /nfs/dbraw/zinc/52/06/07/584520607.db2.gz ZZRBFNYGKDMWOF-JTQLQIEISA-N 1 2 249.314 1.214 20 30 BDEDLO C=C(Br)C[NH2+]Cc1cn(CC)cn1 ZINC000902199876 584537599 /nfs/dbraw/zinc/53/75/99/584537599.db2.gz ZDBOGHOJKWJBBB-UHFFFAOYSA-N 1 2 244.136 1.901 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CCN(C2CCCC2)C1=O ZINC000902244414 584546023 /nfs/dbraw/zinc/54/60/23/584546023.db2.gz UDFQPGDNAIUSTN-GFCCVEGCSA-N 1 2 249.358 1.578 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCN(C2CCCC2)C1=O ZINC000902244414 584546026 /nfs/dbraw/zinc/54/60/26/584546026.db2.gz UDFQPGDNAIUSTN-GFCCVEGCSA-N 1 2 249.358 1.578 20 30 BDEDLO N#CC1(CCCCO[NH+]=C(N)CO)CCC1 ZINC000902763539 584663836 /nfs/dbraw/zinc/66/38/36/584663836.db2.gz GUJCDFHMCZQCEC-UHFFFAOYSA-N 1 2 225.292 1.341 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903002154 584716408 /nfs/dbraw/zinc/71/64/08/584716408.db2.gz WXYAKZYQMPZKKW-ZJUUUORDSA-N 1 2 214.284 1.111 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903002154 584716410 /nfs/dbraw/zinc/71/64/10/584716410.db2.gz WXYAKZYQMPZKKW-ZJUUUORDSA-N 1 2 214.284 1.111 20 30 BDEDLO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cccc(C#N)c1O ZINC000903317926 584750676 /nfs/dbraw/zinc/75/06/76/584750676.db2.gz XAMJRMFAGIQONQ-PWSUYJOCSA-N 1 2 245.326 1.619 20 30 BDEDLO C#CCCOC(=O)NCc1c[nH+]ccc1OC ZINC000859168772 589013110 /nfs/dbraw/zinc/01/31/10/589013110.db2.gz UAZDAGGEJBAYTN-UHFFFAOYSA-N 1 2 234.255 1.340 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CC)[nH]n1 ZINC000730281033 584899103 /nfs/dbraw/zinc/89/91/03/584899103.db2.gz MFIAVYITUSDGEC-NSHDSACASA-N 1 2 246.314 1.008 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CC)[nH]n1 ZINC000730281033 584899104 /nfs/dbraw/zinc/89/91/04/584899104.db2.gz MFIAVYITUSDGEC-NSHDSACASA-N 1 2 246.314 1.008 20 30 BDEDLO C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713521 584907065 /nfs/dbraw/zinc/90/70/65/584907065.db2.gz NGVUZWRNZQDXSO-NSHDSACASA-N 1 2 245.282 1.297 20 30 BDEDLO C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713521 584907066 /nfs/dbraw/zinc/90/70/66/584907066.db2.gz NGVUZWRNZQDXSO-NSHDSACASA-N 1 2 245.282 1.297 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000754128982 584913574 /nfs/dbraw/zinc/91/35/74/584913574.db2.gz XPEHTROKAPHCHG-WZRBSPASSA-N 1 2 219.332 1.315 20 30 BDEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000754128982 584913575 /nfs/dbraw/zinc/91/35/75/584913575.db2.gz XPEHTROKAPHCHG-WZRBSPASSA-N 1 2 219.332 1.315 20 30 BDEDLO Cc1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000731153401 584922698 /nfs/dbraw/zinc/92/26/98/584922698.db2.gz KMGKTRKDFVZCAJ-UHFFFAOYSA-N 1 2 201.233 1.559 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NOC[C@H]1CCOC1 ZINC000788033608 584923536 /nfs/dbraw/zinc/92/35/36/584923536.db2.gz JUWXXWZRIOVVTM-VIFPVBQESA-N 1 2 209.249 1.105 20 30 BDEDLO CN(C)c1ncc(C=[NH+]OC2CCC2)cn1 ZINC000814936265 584969496 /nfs/dbraw/zinc/96/94/96/584969496.db2.gz HNTKWRUEPZEEOZ-UHFFFAOYSA-N 1 2 220.276 1.446 20 30 BDEDLO N#Cc1ccc(O)c(NC(=O)C[NH+]2CCCC2)c1 ZINC000821348947 585015805 /nfs/dbraw/zinc/01/58/05/585015805.db2.gz JLWAWFABARIURM-UHFFFAOYSA-N 1 2 245.282 1.298 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCC(OC)CC1)C(=O)OC ZINC000839167478 585095282 /nfs/dbraw/zinc/09/52/82/585095282.db2.gz FCSQQHNNSRNZRJ-HTAVTVPLSA-N 1 2 239.315 1.099 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C(=O)OC ZINC000839167618 585095314 /nfs/dbraw/zinc/09/53/14/585095314.db2.gz GYIBMKABXIZRNW-MNOVXSKESA-N 1 2 225.332 1.966 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(=O)OC ZINC000839166945 585095446 /nfs/dbraw/zinc/09/54/46/585095446.db2.gz BJACFDCOBODZEE-AGIUHOORSA-N 1 2 237.343 1.967 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](C)CCC(C)C)C(=O)OC ZINC000839167486 585095529 /nfs/dbraw/zinc/09/55/29/585095529.db2.gz FCZSGTWGCBOIFF-RYUDHWBXSA-N 1 2 225.332 1.966 20 30 BDEDLO C#CC[C@@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000839169135 585095635 /nfs/dbraw/zinc/09/56/35/585095635.db2.gz QNVQTIWQHCDGST-LLVKDONJSA-N 1 2 239.315 1.100 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000839168344 585095784 /nfs/dbraw/zinc/09/57/84/585095784.db2.gz LDKYEAQKSRYCIJ-LLVKDONJSA-N 1 2 221.300 1.474 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](C)CC(C)C)C(=O)OC ZINC000839169500 585096018 /nfs/dbraw/zinc/09/60/18/585096018.db2.gz SRSBLNQANUTRRE-GHMZBOCLSA-N 1 2 211.305 1.576 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)OC ZINC000839169195 585096112 /nfs/dbraw/zinc/09/61/12/585096112.db2.gz PRPCHIABYZLSFR-AXFHLTTASA-N 1 2 209.289 1.330 20 30 BDEDLO C#CC[C@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000839169530 585096209 /nfs/dbraw/zinc/09/62/09/585096209.db2.gz TVOMVKHUDNWYEB-VIFPVBQESA-N 1 2 227.329 1.037 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C(=O)OC ZINC000839170453 585096369 /nfs/dbraw/zinc/09/63/69/585096369.db2.gz ZTLYRRNCKIUDNX-TUAOUCFPSA-N 1 2 239.315 1.099 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000839186585 585097029 /nfs/dbraw/zinc/09/70/29/585097029.db2.gz LGDXXUQGCUISPI-AWEZNQCLSA-N 1 2 245.322 1.843 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000839186585 585097030 /nfs/dbraw/zinc/09/70/30/585097030.db2.gz LGDXXUQGCUISPI-AWEZNQCLSA-N 1 2 245.322 1.843 20 30 BDEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nnc2ccccn21 ZINC000839500035 585105650 /nfs/dbraw/zinc/10/56/50/585105650.db2.gz BIASWQWBECHBFG-NSHDSACASA-N 1 2 243.314 1.853 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nnc2ccccn21 ZINC000839500035 585105651 /nfs/dbraw/zinc/10/56/51/585105651.db2.gz BIASWQWBECHBFG-NSHDSACASA-N 1 2 243.314 1.853 20 30 BDEDLO NC(=[NH+]OC[C@H]1CCOC1)c1ccc(F)cc1 ZINC000741753065 585117686 /nfs/dbraw/zinc/11/76/86/585117686.db2.gz RQUHZEXLEVYLOH-VIFPVBQESA-N 1 2 238.262 1.499 20 30 BDEDLO C#CCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000751440425 585230379 /nfs/dbraw/zinc/23/03/79/585230379.db2.gz WEAULWXIKLQUNX-UHFFFAOYSA-N 1 2 232.283 1.553 20 30 BDEDLO CCC(=O)CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000753747976 585268129 /nfs/dbraw/zinc/26/81/29/585268129.db2.gz UVIKYTXPVGSOJF-JTQLQIEISA-N 1 2 208.305 1.980 20 30 BDEDLO CCC(=O)CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000753747976 585268130 /nfs/dbraw/zinc/26/81/30/585268130.db2.gz UVIKYTXPVGSOJF-JTQLQIEISA-N 1 2 208.305 1.980 20 30 BDEDLO C#CC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000753942959 585272798 /nfs/dbraw/zinc/27/27/98/585272798.db2.gz CVQGZZXIENZQBF-UHFFFAOYSA-N 1 2 231.299 1.177 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000754374059 585283639 /nfs/dbraw/zinc/28/36/39/585283639.db2.gz TVLZEPKGIFLWKT-OYUORYAFSA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000754374059 585283640 /nfs/dbraw/zinc/28/36/40/585283640.db2.gz TVLZEPKGIFLWKT-OYUORYAFSA-N 1 2 236.315 1.730 20 30 BDEDLO Cn1c[nH+]cc1C=NNCc1ccccc1 ZINC000755565755 585301534 /nfs/dbraw/zinc/30/15/34/585301534.db2.gz VASTULIBOBXHHO-UHFFFAOYSA-N 1 2 214.272 1.544 20 30 BDEDLO c1[nH+]c2ccccn2c1CN=Nc1cnccn1 ZINC000755633991 585302816 /nfs/dbraw/zinc/30/28/16/585302816.db2.gz JEHIZBMAGONTIZ-UHFFFAOYSA-N 1 2 238.254 1.570 20 30 BDEDLO c1cc2ncnc(N=NCc3c[nH+]c[nH]3)c2s1 ZINC000755795978 585307255 /nfs/dbraw/zinc/30/72/55/585307255.db2.gz HQBJOUPKZVUMOI-UHFFFAOYSA-N 1 2 244.283 1.860 20 30 BDEDLO c1cc2ncnc(N=NCc3c[nH]c[nH+]3)c2s1 ZINC000755795978 585307256 /nfs/dbraw/zinc/30/72/56/585307256.db2.gz HQBJOUPKZVUMOI-UHFFFAOYSA-N 1 2 244.283 1.860 20 30 BDEDLO O=[N+]([O-])c1cccnc1N=NCc1[nH]cc[nH+]1 ZINC000759202315 585365505 /nfs/dbraw/zinc/36/55/05/585365505.db2.gz WJLVYGXEGIXRIS-UHFFFAOYSA-N 1 2 232.203 1.159 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1ncc(F)cn1 ZINC000760255631 585387774 /nfs/dbraw/zinc/38/77/74/585387774.db2.gz WUSJCLIWEJGBJM-UHFFFAOYSA-N 1 2 220.211 1.093 20 30 BDEDLO Cn1ccc(CC/[NH+]=C/c2ccccc2O)n1 ZINC000761015013 585403575 /nfs/dbraw/zinc/40/35/75/585403575.db2.gz JEHGDKNRHXNZBS-GXDHUFHOSA-N 1 2 229.283 1.787 20 30 BDEDLO Cn1cc(NN=Cc2cccc3[nH+]ccn32)cn1 ZINC000761869039 585421199 /nfs/dbraw/zinc/42/11/99/585421199.db2.gz KKCLHSNLSOXGPA-UHFFFAOYSA-N 1 2 240.270 1.514 20 30 BDEDLO Cn1cc(N=NCc2cccc3[nH+]ccn32)cn1 ZINC000761869039 585421200 /nfs/dbraw/zinc/42/12/00/585421200.db2.gz KKCLHSNLSOXGPA-UHFFFAOYSA-N 1 2 240.270 1.514 20 30 BDEDLO CC#CCNC(=O)c1cccc2[nH+]ccn21 ZINC000763173810 585443958 /nfs/dbraw/zinc/44/39/58/585443958.db2.gz LFSHDWXSQKKSGZ-UHFFFAOYSA-N 1 2 213.240 1.087 20 30 BDEDLO COc1c(C)c[nH+]c(CNC(=O)CC#N)c1C ZINC000763248730 585444957 /nfs/dbraw/zinc/44/49/57/585444957.db2.gz ITNZCFLMXNGYRO-UHFFFAOYSA-N 1 2 233.271 1.237 20 30 BDEDLO Cc1cc(C)nc(N=NCc2ccc[nH+]c2N)n1 ZINC000764639158 585469718 /nfs/dbraw/zinc/46/97/18/585469718.db2.gz DQZJFNXQWJNSJF-UHFFFAOYSA-N 1 2 242.286 1.517 20 30 BDEDLO N#Cc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)ncn1 ZINC000764872966 585476637 /nfs/dbraw/zinc/47/66/37/585476637.db2.gz HIVVLBIFKMNQFK-SNVBAGLBSA-N 1 2 240.270 1.413 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(N(C)C)nc1 ZINC000769452594 585557380 /nfs/dbraw/zinc/55/73/80/585557380.db2.gz ZBFVEMYCXKIIAK-UHFFFAOYSA-N 1 2 241.338 1.606 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(N(C)C)nc1 ZINC000769452594 585557381 /nfs/dbraw/zinc/55/73/81/585557381.db2.gz ZBFVEMYCXKIIAK-UHFFFAOYSA-N 1 2 241.338 1.606 20 30 BDEDLO C=CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000771642380 585598212 /nfs/dbraw/zinc/59/82/12/585598212.db2.gz PYEVMGWCAZJEBU-UHFFFAOYSA-N 1 2 222.248 1.399 20 30 BDEDLO C=CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000771642380 585598213 /nfs/dbraw/zinc/59/82/13/585598213.db2.gz PYEVMGWCAZJEBU-UHFFFAOYSA-N 1 2 222.248 1.399 20 30 BDEDLO C=CC[N@@H+](CN1C(=O)CC(C)(C)C1=O)C1CC1 ZINC000771640734 585598266 /nfs/dbraw/zinc/59/82/66/585598266.db2.gz JLHPROILGNJJSU-UHFFFAOYSA-N 1 2 236.315 1.379 20 30 BDEDLO C=CC[N@H+](CN1C(=O)CC(C)(C)C1=O)C1CC1 ZINC000771640734 585598267 /nfs/dbraw/zinc/59/82/67/585598267.db2.gz JLHPROILGNJJSU-UHFFFAOYSA-N 1 2 236.315 1.379 20 30 BDEDLO Cn1cc[nH+]c1CNc1cccc(CC#N)n1 ZINC000771753295 585599682 /nfs/dbraw/zinc/59/96/82/585599682.db2.gz HYQXXXBSKYQIME-UHFFFAOYSA-N 1 2 227.271 1.493 20 30 BDEDLO CON=CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000773825392 585644642 /nfs/dbraw/zinc/64/46/42/585644642.db2.gz USEZSUAWJZVFON-UHFFFAOYSA-N 1 2 244.254 1.443 20 30 BDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC1(CC#N)CC1 ZINC000774120217 585650906 /nfs/dbraw/zinc/65/09/06/585650906.db2.gz QKPBTQHNWUIUAZ-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC1(CC#N)CC1 ZINC000774120217 585650907 /nfs/dbraw/zinc/65/09/07/585650907.db2.gz QKPBTQHNWUIUAZ-LLVKDONJSA-N 1 2 236.315 1.708 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC000775184693 585673064 /nfs/dbraw/zinc/67/30/64/585673064.db2.gz XTWCYNKBVIJSDZ-JTQLQIEISA-N 1 2 231.274 1.927 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000775184693 585673065 /nfs/dbraw/zinc/67/30/65/585673065.db2.gz XTWCYNKBVIJSDZ-JTQLQIEISA-N 1 2 231.274 1.927 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(CC)o1)[C@@H]1CCCO1 ZINC000775783889 585684534 /nfs/dbraw/zinc/68/45/34/585684534.db2.gz FIJXRULXLFNXQO-DCAQKATOSA-N 1 2 249.314 1.463 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(CC)no1)[C@H]1CCCO1 ZINC000775791054 585684787 /nfs/dbraw/zinc/68/47/87/585684787.db2.gz RWAOKXQOOPPVJP-GARJFASQSA-N 1 2 249.314 1.463 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ccn(C(C)C)n1)[C@@H]1CCCO1 ZINC000775787903 585684929 /nfs/dbraw/zinc/68/49/29/585684929.db2.gz BOFJHEYKUGMWIC-KBPBESRZSA-N 1 2 247.342 1.734 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)OCC1(C#N)CC1 ZINC000775851563 585686238 /nfs/dbraw/zinc/68/62/38/585686238.db2.gz SGKPOQAIEKQBPN-UHFFFAOYSA-N 1 2 245.282 1.892 20 30 BDEDLO N#CCCN(CCC#N)Cc1c[nH+]c[nH]1 ZINC000776102202 585690117 /nfs/dbraw/zinc/69/01/17/585690117.db2.gz NHGMHBJWBKARFN-UHFFFAOYSA-N 1 2 203.249 1.039 20 30 BDEDLO N#CCCN(CCC#N)Cc1c[nH]c[nH+]1 ZINC000776102202 585690118 /nfs/dbraw/zinc/69/01/18/585690118.db2.gz NHGMHBJWBKARFN-UHFFFAOYSA-N 1 2 203.249 1.039 20 30 BDEDLO C#CCCN1CC[NH+]([C@H](C)C#CCC)CC1 ZINC000776594205 585702249 /nfs/dbraw/zinc/70/22/49/585702249.db2.gz YRIVMRPNRBBGKQ-CQSZACIVSA-N 1 2 218.344 1.429 20 30 BDEDLO C#C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C(C)C ZINC000300891772 585702819 /nfs/dbraw/zinc/70/28/19/585702819.db2.gz JZKQHDTWLMPCSN-WDEREUQCSA-N 1 2 225.332 1.964 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000777543985 585714738 /nfs/dbraw/zinc/71/47/38/585714738.db2.gz BBCRSGIEXFDWGA-VXGBXAGGSA-N 1 2 222.332 1.853 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000777543985 585714739 /nfs/dbraw/zinc/71/47/39/585714739.db2.gz BBCRSGIEXFDWGA-VXGBXAGGSA-N 1 2 222.332 1.853 20 30 BDEDLO Oc1c(F)cc(C=NNc2cc[nH+]cc2)cc1F ZINC000779807368 585765214 /nfs/dbraw/zinc/76/52/14/585765214.db2.gz SVYQXPFSPGDZPM-UHFFFAOYSA-N 1 2 249.220 1.933 20 30 BDEDLO C#CCCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000780602479 585782162 /nfs/dbraw/zinc/78/21/62/585782162.db2.gz XQWBYWBSXTYVRV-UHFFFAOYSA-N 1 2 233.315 1.918 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000781189116 585792669 /nfs/dbraw/zinc/79/26/69/585792669.db2.gz WWCCVGJNXGSNLY-QWRGUYRKSA-N 1 2 224.304 1.706 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000781189116 585792670 /nfs/dbraw/zinc/79/26/70/585792670.db2.gz WWCCVGJNXGSNLY-QWRGUYRKSA-N 1 2 224.304 1.706 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000781189118 585792841 /nfs/dbraw/zinc/79/28/41/585792841.db2.gz WWCCVGJNXGSNLY-WDEREUQCSA-N 1 2 224.304 1.706 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000781189118 585792842 /nfs/dbraw/zinc/79/28/42/585792842.db2.gz WWCCVGJNXGSNLY-WDEREUQCSA-N 1 2 224.304 1.706 20 30 BDEDLO N#CCC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000781571686 585799058 /nfs/dbraw/zinc/79/90/58/585799058.db2.gz HJYXRXDLZKVQBZ-UHFFFAOYSA-N 1 2 237.328 1.493 20 30 BDEDLO COc1cccc(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781586972 585799929 /nfs/dbraw/zinc/79/99/29/585799929.db2.gz BTKLITFPUIKKAG-UHFFFAOYSA-N 1 2 243.270 1.513 20 30 BDEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000782591473 585821314 /nfs/dbraw/zinc/82/13/14/585821314.db2.gz MDEWMOQNGOFQMW-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(C#N)c1 ZINC000782591473 585821315 /nfs/dbraw/zinc/82/13/15/585821315.db2.gz MDEWMOQNGOFQMW-LLVKDONJSA-N 1 2 243.310 1.221 20 30 BDEDLO N#Cc1c[nH]c(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000783981823 585846577 /nfs/dbraw/zinc/84/65/77/585846577.db2.gz FBXDQODLAXIRIA-UHFFFAOYSA-N 1 2 244.254 1.330 20 30 BDEDLO N#CCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000784138568 585851340 /nfs/dbraw/zinc/85/13/40/585851340.db2.gz PGDWMACXJXLASO-UHFFFAOYSA-N 1 2 228.255 1.368 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000786889477 585898280 /nfs/dbraw/zinc/89/82/80/585898280.db2.gz HEEBKRAXVAXAIA-LBPRGKRZSA-N 1 2 247.342 1.869 20 30 BDEDLO CC(=Cc1[nH]cc[nH+]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789828858 585951157 /nfs/dbraw/zinc/95/11/57/585951157.db2.gz GBERQDJQBCARHT-ALCCZGGFSA-N 1 2 241.254 1.234 20 30 BDEDLO CC(N=Nc1cncc(Cl)n1)c1[nH]cc[nH+]1 ZINC000790154109 585958673 /nfs/dbraw/zinc/95/86/73/585958673.db2.gz PNUZUPWTJFXTTK-UHFFFAOYSA-N 1 2 236.666 1.689 20 30 BDEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCOC2)cc1 ZINC000794518286 586041444 /nfs/dbraw/zinc/04/14/44/586041444.db2.gz KAGZZIDWHWYSDE-LLVKDONJSA-N 1 2 236.271 1.121 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)C(C)C ZINC000794578653 586045223 /nfs/dbraw/zinc/04/52/23/586045223.db2.gz FEPPIGIESKJXDJ-UHFFFAOYSA-N 1 2 231.361 1.153 20 30 BDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)C(C)C ZINC000794578653 586045224 /nfs/dbraw/zinc/04/52/24/586045224.db2.gz FEPPIGIESKJXDJ-UHFFFAOYSA-N 1 2 231.361 1.153 20 30 BDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NO ZINC000794924753 586055324 /nfs/dbraw/zinc/05/53/24/586055324.db2.gz UKPYCIARAHBBLQ-UHFFFAOYSA-N 1 2 241.197 1.128 20 30 BDEDLO O=C1C=C([NH2+]Nc2cncnc2)[C@@H]2CCCCN12 ZINC000794976091 586060307 /nfs/dbraw/zinc/06/03/07/586060307.db2.gz DJJPSTLXHLVVKC-NSHDSACASA-N 1 2 245.286 1.029 20 30 BDEDLO CC(=[NH+]Nc1cncnc1)c1ccc(N)cc1 ZINC000794976781 586060942 /nfs/dbraw/zinc/06/09/42/586060942.db2.gz RZMQQGYFYNEJME-UHFFFAOYSA-N 1 2 227.271 1.895 20 30 BDEDLO Cc1ccn(C[N@H+]2CCC=C(C)C2)c(=O)c1C#N ZINC000797823312 586132348 /nfs/dbraw/zinc/13/23/48/586132348.db2.gz RRRHHTLGKHCUMZ-UHFFFAOYSA-N 1 2 243.310 1.638 20 30 BDEDLO Cc1ccn(C[N@@H+]2CCC=C(C)C2)c(=O)c1C#N ZINC000797823312 586132349 /nfs/dbraw/zinc/13/23/49/586132349.db2.gz RRRHHTLGKHCUMZ-UHFFFAOYSA-N 1 2 243.310 1.638 20 30 BDEDLO C#C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC000799045727 586155208 /nfs/dbraw/zinc/15/52/08/586155208.db2.gz QPMXHJIUJJGVKF-NSHDSACASA-N 1 2 241.294 1.722 20 30 BDEDLO C#C[C@@H](NC(=O)CCCn1cc[nH+]c1)C(C)C ZINC000799046012 586155229 /nfs/dbraw/zinc/15/52/29/586155229.db2.gz AWAZQVFCALTGPA-GFCCVEGCSA-N 1 2 233.315 1.437 20 30 BDEDLO CC1(C)CCC[C@@H]1[NH2+]NC1=CC(=O)N2CCC[C@@H]12 ZINC000799487357 586179967 /nfs/dbraw/zinc/17/99/67/586179967.db2.gz LAZKKIKFAXPLPY-RYUDHWBXSA-N 1 2 249.358 1.905 20 30 BDEDLO C[C@@H](C#N)OCCO[NH+]=C(N)Cc1cccnc1 ZINC000802731355 586311059 /nfs/dbraw/zinc/31/10/59/586311059.db2.gz MMLOBUYBFPBFQA-JTQLQIEISA-N 1 2 248.286 1.051 20 30 BDEDLO C=CCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804338208 586392047 /nfs/dbraw/zinc/39/20/47/586392047.db2.gz JBVJHSAJGIBFAA-NSHDSACASA-N 1 2 233.315 1.670 20 30 BDEDLO C#CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000806855709 586419362 /nfs/dbraw/zinc/41/93/62/586419362.db2.gz WABQMUPQUZMZAM-UHFFFAOYSA-N 1 2 244.285 1.103 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000809571905 586507407 /nfs/dbraw/zinc/50/74/07/586507407.db2.gz DVDSJEYZWCRYLA-KGLIPLIRSA-N 1 2 246.310 1.334 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000809571905 586507408 /nfs/dbraw/zinc/50/74/08/586507408.db2.gz DVDSJEYZWCRYLA-KGLIPLIRSA-N 1 2 246.310 1.334 20 30 BDEDLO C=C[C@H](O)C(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000814541995 586624061 /nfs/dbraw/zinc/62/40/61/586624061.db2.gz VKXIDBAGBYTGOC-NSHDSACASA-N 1 2 246.266 1.233 20 30 BDEDLO CC(=[NH+]Nc1cc(C)ncn1)c1ccc(N)nc1 ZINC000814846204 586638569 /nfs/dbraw/zinc/63/85/69/586638569.db2.gz JFEKDBWMBHHYKA-UHFFFAOYSA-N 1 2 242.286 1.598 20 30 BDEDLO CN(C)c1ncc(C=[NH+]OC/C=C\Cl)cn1 ZINC000814933809 586654166 /nfs/dbraw/zinc/65/41/66/586654166.db2.gz ATWDXKXSNQSPSO-KCRGYIEXSA-N 1 2 240.694 1.646 20 30 BDEDLO C=CCOCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000815121919 586667740 /nfs/dbraw/zinc/66/77/40/586667740.db2.gz ZYFBDBMGJKVDOY-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CCOCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000815121919 586667741 /nfs/dbraw/zinc/66/77/41/586667741.db2.gz ZYFBDBMGJKVDOY-SNVBAGLBSA-N 1 2 227.304 1.215 20 30 BDEDLO Cn1ncc(C[NH2+]CC2(C#N)CC2)c1Cl ZINC000816598137 586744123 /nfs/dbraw/zinc/74/41/23/586744123.db2.gz QUJSERVKTQZVGH-UHFFFAOYSA-N 1 2 224.695 1.467 20 30 BDEDLO N#Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)ccc1F ZINC000816917118 586771433 /nfs/dbraw/zinc/77/14/33/586771433.db2.gz BGRTZKDJRKVPRJ-UHFFFAOYSA-N 1 2 244.229 1.602 20 30 BDEDLO C#CCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817159750 586784602 /nfs/dbraw/zinc/78/46/02/586784602.db2.gz PPHSZLXTGXQTPX-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO C[C@@H](CO)NN=C1CCc2ccc[nH+]c2CC1 ZINC000817326555 586794815 /nfs/dbraw/zinc/79/48/15/586794815.db2.gz YILKYRRRCNRBHR-JTQLQIEISA-N 1 2 233.315 1.287 20 30 BDEDLO Cc1cc(CNC(=O)C#CC2CC2)cc(C)[nH+]1 ZINC000817620711 586814356 /nfs/dbraw/zinc/81/43/56/586814356.db2.gz JQQAAXSRNAKNEY-UHFFFAOYSA-N 1 2 228.295 1.728 20 30 BDEDLO N#CCC[NH2+]Cc1cc(F)cnc1Cl ZINC000819340093 586953973 /nfs/dbraw/zinc/95/39/73/586953973.db2.gz XUZFXKCNLIKJHG-UHFFFAOYSA-N 1 2 213.643 1.877 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN1CCCNC1=O ZINC000819812944 586997481 /nfs/dbraw/zinc/99/74/81/586997481.db2.gz QSMCCMQMSSTHDD-UHFFFAOYSA-N 1 2 235.291 1.213 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000820647044 587061567 /nfs/dbraw/zinc/06/15/67/587061567.db2.gz MSWIMPHVXSBSBX-LLVKDONJSA-N 1 2 248.330 1.363 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000820661624 587063806 /nfs/dbraw/zinc/06/38/06/587063806.db2.gz TYQQYWMIHDVQKW-NSHDSACASA-N 1 2 246.314 1.210 20 30 BDEDLO C#C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822083604 587151935 /nfs/dbraw/zinc/15/19/35/587151935.db2.gz WOSHCXAHBYXOTJ-NEPJUHHUSA-N 1 2 233.315 1.608 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000822667505 587180114 /nfs/dbraw/zinc/18/01/14/587180114.db2.gz XBBZYBYPBOIMLA-GMTAPVOTSA-N 1 2 231.299 1.287 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000822667505 587180116 /nfs/dbraw/zinc/18/01/16/587180116.db2.gz XBBZYBYPBOIMLA-GMTAPVOTSA-N 1 2 231.299 1.287 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000823255033 587211257 /nfs/dbraw/zinc/21/12/57/587211257.db2.gz LAIHBNMPSNMZNE-ZDUSSCGKSA-N 1 2 233.315 1.433 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823254974 587211476 /nfs/dbraw/zinc/21/14/76/587211476.db2.gz JIOOQSBXUUSBQL-BREBYQMCSA-N 1 2 231.299 1.431 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823254974 587211477 /nfs/dbraw/zinc/21/14/77/587211477.db2.gz JIOOQSBXUUSBQL-BREBYQMCSA-N 1 2 231.299 1.431 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000823305855 587215358 /nfs/dbraw/zinc/21/53/58/587215358.db2.gz OBEAYACASMVZRR-OAHLLOKOSA-N 1 2 246.354 1.510 20 30 BDEDLO C#CCN(CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000823810042 587240976 /nfs/dbraw/zinc/24/09/76/587240976.db2.gz FYTYEJSHDVLODW-SNVBAGLBSA-N 1 2 234.303 1.146 20 30 BDEDLO N#CC1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000824645836 587280699 /nfs/dbraw/zinc/28/06/99/587280699.db2.gz RCYLICGRWLKQRQ-UHFFFAOYSA-N 1 2 230.315 1.565 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C2CCC2)cnn1C ZINC000824823421 587288576 /nfs/dbraw/zinc/28/85/76/587288576.db2.gz BMRHEZOBOPBIOJ-UHFFFAOYSA-N 1 2 241.338 1.756 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(COC)cs1 ZINC000824824184 587289576 /nfs/dbraw/zinc/28/95/76/587289576.db2.gz HUTGLJXKCAQILL-UHFFFAOYSA-N 1 2 233.336 1.963 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000824868490 587291118 /nfs/dbraw/zinc/29/11/18/587291118.db2.gz BJJSJRZVPHUNMB-IJLUTSLNSA-N 1 2 243.310 1.385 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000824868490 587291119 /nfs/dbraw/zinc/29/11/19/587291119.db2.gz BJJSJRZVPHUNMB-IJLUTSLNSA-N 1 2 243.310 1.385 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000824869837 587291143 /nfs/dbraw/zinc/29/11/43/587291143.db2.gz LYOWKXRNCMOHBO-LLVKDONJSA-N 1 2 245.326 1.386 20 30 BDEDLO C[N@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825915353 587345287 /nfs/dbraw/zinc/34/52/87/587345287.db2.gz YAUCXTJGMMKJPF-UHFFFAOYSA-N 1 2 248.315 1.274 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825915353 587345289 /nfs/dbraw/zinc/34/52/89/587345289.db2.gz YAUCXTJGMMKJPF-UHFFFAOYSA-N 1 2 248.315 1.274 20 30 BDEDLO C[C@H](C#N)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826717850 587359915 /nfs/dbraw/zinc/35/99/15/587359915.db2.gz KPXIZGWAUCZTAB-MFKMUULPSA-N 1 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1.044 20 30 BDEDLO N#C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000829655298 587507850 /nfs/dbraw/zinc/50/78/50/587507850.db2.gz OGOMNMDURRUCSZ-LLVKDONJSA-N 1 2 246.314 1.541 20 30 BDEDLO C#CC1CC[NH+](Cc2noc(CC)n2)CC1 ZINC000830321742 587545777 /nfs/dbraw/zinc/54/57/77/587545777.db2.gz ZWEJJEIEBGGLKJ-UHFFFAOYSA-N 1 2 219.288 1.477 20 30 BDEDLO C#CC1CC[NH+](Cc2nn(C)cc2Cl)CC1 ZINC000830350469 587547079 /nfs/dbraw/zinc/54/70/79/587547079.db2.gz CJPHWXHVZZDMEN-UHFFFAOYSA-N 1 2 237.734 1.919 20 30 BDEDLO C=C1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000830991194 587580649 /nfs/dbraw/zinc/58/06/49/587580649.db2.gz WMLSLTJVPWIUNZ-UHFFFAOYSA-N 1 2 233.315 1.746 20 30 BDEDLO CN(C)c1[nH]c(=NNC=C2CC2(F)F)cc[nH+]1 ZINC000834958901 587772473 /nfs/dbraw/zinc/77/24/73/587772473.db2.gz HZUCYAFULPOHGG-ZETCQYMHSA-N 1 2 241.245 1.596 20 30 BDEDLO Cc1ccc(CCC=Nn2ccnn2)c[nH+]1 ZINC000835010490 587777448 /nfs/dbraw/zinc/77/74/48/587777448.db2.gz AYADKYOEQZQQAN-UHFFFAOYSA-N 1 2 215.260 1.448 20 30 BDEDLO Cc1[nH]c(C#N)cc1C(=O)OCc1c[nH+]cn1C ZINC000835192099 587788079 /nfs/dbraw/zinc/78/80/79/587788079.db2.gz BBDQIJAXYNWAQL-UHFFFAOYSA-N 1 2 244.254 1.285 20 30 BDEDLO C=CC(C)(C)C(=O)OC1C[NH+](CCOCC)C1 ZINC000835319547 587796220 /nfs/dbraw/zinc/79/62/20/587796220.db2.gz MGJDMMIGNGMWTJ-UHFFFAOYSA-N 1 2 241.331 1.463 20 30 BDEDLO C#CCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000836329440 587830795 /nfs/dbraw/zinc/83/07/95/587830795.db2.gz HMHAVRJYWCNGHO-UHFFFAOYSA-N 1 2 245.326 1.911 20 30 BDEDLO O=C(C#CC1CC1)NCc1cn2ccccc2[nH+]1 ZINC000837314408 587865363 /nfs/dbraw/zinc/86/53/63/587865363.db2.gz SSTYSMBCIQCUHQ-UHFFFAOYSA-N 1 2 239.278 1.364 20 30 BDEDLO Cc1cc(NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC000837411466 587870952 /nfs/dbraw/zinc/87/09/52/587870952.db2.gz DFKRWCZDVOKROZ-UHFFFAOYSA-N 1 2 216.284 1.800 20 30 BDEDLO Cc1cc(NC(=O)C#CC2CC2)cc[nH+]1 ZINC000837414743 587871255 /nfs/dbraw/zinc/87/12/55/587871255.db2.gz YXPCGHDWVRKANZ-UHFFFAOYSA-N 1 2 200.241 1.164 20 30 BDEDLO C[C@@H](CNC(=O)C#CC(C)(C)C)Cn1cc[nH+]c1 ZINC000837431364 587872164 /nfs/dbraw/zinc/87/21/64/587872164.db2.gz RYNFTUUSPMGNMD-LBPRGKRZSA-N 1 2 247.342 1.685 20 30 BDEDLO C[C@H](O)CCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000842019367 587987734 /nfs/dbraw/zinc/98/77/34/587987734.db2.gz MOYQKHCWCJCKAA-QMMMGPOBSA-N 1 2 242.706 1.748 20 30 BDEDLO C=CCOCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000842019781 587989361 /nfs/dbraw/zinc/98/93/61/587989361.db2.gz XNMMXTODSMBADJ-UHFFFAOYSA-N 1 2 238.262 1.665 20 30 BDEDLO C=CCOCCO[NH+]=C(N)Cc1ccccc1 ZINC000842022612 587989444 /nfs/dbraw/zinc/98/94/44/587989444.db2.gz YQCRQHGNMVLAJF-UHFFFAOYSA-N 1 2 234.299 1.930 20 30 BDEDLO C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)ON=C1CCC1 ZINC000842030369 587991097 /nfs/dbraw/zinc/99/10/97/587991097.db2.gz FHQXJEXGKLZEIF-TXEJJXNPSA-N 1 2 224.304 1.406 20 30 BDEDLO C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)ON=C1CCC1 ZINC000842030369 587991099 /nfs/dbraw/zinc/99/10/99/587991099.db2.gz FHQXJEXGKLZEIF-TXEJJXNPSA-N 1 2 224.304 1.406 20 30 BDEDLO C(=NNC12CC(C1)C2)c1cccc2[nH+]ccn21 ZINC000842546439 588040326 /nfs/dbraw/zinc/04/03/26/588040326.db2.gz SJPXLGLUJBMKND-UHFFFAOYSA-N 1 2 226.283 1.810 20 30 BDEDLO C=C(C)[C@@H](Cc1nc(C[NH2+]CC)no1)OCC ZINC000843145198 588086644 /nfs/dbraw/zinc/08/66/44/588086644.db2.gz WDUCQSBZTXFUEV-SNVBAGLBSA-N 1 2 239.319 1.703 20 30 BDEDLO C#CC[N@@H+](Cc1cncnc1OC)C1CC1 ZINC000843404230 588106150 /nfs/dbraw/zinc/10/61/50/588106150.db2.gz QKNHPGGLQWEXEE-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C#CC[N@H+](Cc1cncnc1OC)C1CC1 ZINC000843404230 588106151 /nfs/dbraw/zinc/10/61/51/588106151.db2.gz QKNHPGGLQWEXEE-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C#CC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000843427293 588108846 /nfs/dbraw/zinc/10/88/46/588108846.db2.gz YPONXSPMGFSRHQ-UHFFFAOYSA-N 1 2 203.289 1.563 20 30 BDEDLO C#CCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844134255 588169662 /nfs/dbraw/zinc/16/96/62/588169662.db2.gz CYBUNZHUKKFPTQ-LBPRGKRZSA-N 1 2 245.326 1.365 20 30 BDEDLO Oc1ccccc1/C=[NH+]/CC[C@@]1(O)CCOC1 ZINC000844269299 588178319 /nfs/dbraw/zinc/17/83/19/588178319.db2.gz BICUANFKXZMHGL-OZYJXZHSSA-N 1 2 235.283 1.353 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844289828 588181529 /nfs/dbraw/zinc/18/15/29/588181529.db2.gz HBDVSMFGNPYVAK-ONGXEEELSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844289828 588181530 /nfs/dbraw/zinc/18/15/30/588181530.db2.gz HBDVSMFGNPYVAK-ONGXEEELSA-N 1 2 237.303 1.061 20 30 BDEDLO CC(C(=O)N[C@](C)(C#N)C[NH+](C)C)=C1CCC1 ZINC000844528806 588200806 /nfs/dbraw/zinc/20/08/06/588200806.db2.gz ZGXRURHNRPWSJW-CYBMUJFWSA-N 1 2 235.331 1.447 20 30 BDEDLO C#CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000844622702 588210341 /nfs/dbraw/zinc/21/03/41/588210341.db2.gz BRXOPSGIKFATKV-GFCCVEGCSA-N 1 2 245.326 1.706 20 30 BDEDLO C#CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845287025 588225744 /nfs/dbraw/zinc/22/57/44/588225744.db2.gz ZFUYEOBBBJLYNL-JTQLQIEISA-N 1 2 206.245 1.401 20 30 BDEDLO C=C[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845522110 588231782 /nfs/dbraw/zinc/23/17/82/588231782.db2.gz JUIJRMDCHAWXKG-NXEZZACHSA-N 1 2 208.261 1.952 20 30 BDEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000845910630 588250260 /nfs/dbraw/zinc/25/02/60/588250260.db2.gz MKVGIXZAGOCDMC-NXEZZACHSA-N 1 2 232.287 1.623 20 30 BDEDLO COc1cc(F)c(C[NH2+]CCC#N)cc1OC ZINC000845963784 588252178 /nfs/dbraw/zinc/25/21/78/588252178.db2.gz ANEABUDIQURZBA-UHFFFAOYSA-N 1 2 238.262 1.846 20 30 BDEDLO C=CCCCC[C@H](C)[NH2+]CC(=O)NOCC ZINC000846090046 588256294 /nfs/dbraw/zinc/25/62/94/588256294.db2.gz CLVUTHYMHFSOCI-NSHDSACASA-N 1 2 228.336 1.779 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000846546694 588274057 /nfs/dbraw/zinc/27/40/57/588274057.db2.gz DYYSRVGGRSKBSK-VHSXEESVSA-N 1 2 235.287 1.068 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cn(CCC=C)nn1 ZINC000846812652 588290985 /nfs/dbraw/zinc/29/09/85/588290985.db2.gz WPZJPMMNDRKZOC-UHFFFAOYSA-N 1 2 218.304 1.309 20 30 BDEDLO C#CC[N@H+](CC)Cc1cn(CCC=C)nn1 ZINC000846812652 588290986 /nfs/dbraw/zinc/29/09/86/588290986.db2.gz WPZJPMMNDRKZOC-UHFFFAOYSA-N 1 2 218.304 1.309 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000846991907 588300629 /nfs/dbraw/zinc/30/06/29/588300629.db2.gz JOPUMEIYQQVGDI-JTQLQIEISA-N 1 2 247.298 1.613 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2noc(CCOC)n2)C1 ZINC000847019202 588302218 /nfs/dbraw/zinc/30/22/18/588302218.db2.gz PGGKYEZOHQIRLP-NSHDSACASA-N 1 2 249.314 1.104 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2noc(CCOC)n2)C1 ZINC000847019202 588302219 /nfs/dbraw/zinc/30/22/19/588302219.db2.gz PGGKYEZOHQIRLP-NSHDSACASA-N 1 2 249.314 1.104 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847019843 588302389 /nfs/dbraw/zinc/30/23/89/588302389.db2.gz STSCRGPYWXWXGI-NSHDSACASA-N 1 2 232.283 1.722 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847019843 588302390 /nfs/dbraw/zinc/30/23/90/588302390.db2.gz STSCRGPYWXWXGI-NSHDSACASA-N 1 2 232.283 1.722 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000848279220 588369943 /nfs/dbraw/zinc/36/99/43/588369943.db2.gz LBUUXGBRJCWXLP-LLVKDONJSA-N 1 2 245.326 1.559 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387581 588375800 /nfs/dbraw/zinc/37/58/00/588375800.db2.gz YBYVZJLKVOYMMW-SSDOTTSWSA-N 1 2 229.230 1.798 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000848418966 588382414 /nfs/dbraw/zinc/38/24/14/588382414.db2.gz PBASMWSHJIZDOV-UHFFFAOYSA-N 1 2 231.303 1.615 20 30 BDEDLO Cc1csc(C=NNCCCn2cc[nH+]c2)n1 ZINC000848418601 588382555 /nfs/dbraw/zinc/38/25/55/588382555.db2.gz OATWKMDRNILDLU-UHFFFAOYSA-N 1 2 249.343 1.662 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000848419253 588382564 /nfs/dbraw/zinc/38/25/64/588382564.db2.gz SBKBZJMPKMNFIU-UHFFFAOYSA-N 1 2 217.276 1.225 20 30 BDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccco1 ZINC000848418729 588382626 /nfs/dbraw/zinc/38/26/26/588382626.db2.gz MNBPUDXOPZRHRB-UHFFFAOYSA-N 1 2 232.287 1.880 20 30 BDEDLO C#C[C@H]([NH2+][C@H]1CCCn2ccnc21)[C@H]1CCCO1 ZINC000848545434 588395393 /nfs/dbraw/zinc/39/53/93/588395393.db2.gz FRNIZJXKJJOJGH-RWMBFGLXSA-N 1 2 245.326 1.488 20 30 BDEDLO C#C[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000848751408 588411731 /nfs/dbraw/zinc/41/17/31/588411731.db2.gz YZTSSIKHNVUSNW-NSHDSACASA-N 1 2 201.273 1.635 20 30 BDEDLO COC(=O)/C=C/c1ccc(C[NH2+]CCC#N)o1 ZINC000848907385 588419039 /nfs/dbraw/zinc/41/90/39/588419039.db2.gz MYAFXDGYFYNLPG-AATRIKPKSA-N 1 2 234.255 1.469 20 30 BDEDLO C[C@H](CC#N)C(=O)OCc1cccc2[nH+]ccn21 ZINC000850898719 588574920 /nfs/dbraw/zinc/57/49/20/588574920.db2.gz CPDHWEJFCTXUJC-SNVBAGLBSA-N 1 2 243.266 1.927 20 30 BDEDLO C#CC[N@H+](CC#CC)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000851785542 588628508 /nfs/dbraw/zinc/62/85/08/588628508.db2.gz QKJRSARRMDZHHL-GASCZTMLSA-N 1 2 248.370 1.054 20 30 BDEDLO C#CC[N@@H+](CC#CC)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000851785542 588628509 /nfs/dbraw/zinc/62/85/09/588628509.db2.gz QKJRSARRMDZHHL-GASCZTMLSA-N 1 2 248.370 1.054 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851810153 588632029 /nfs/dbraw/zinc/63/20/29/588632029.db2.gz XSGWJJHBNCEKNZ-PWSUYJOCSA-N 1 2 219.288 1.349 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851810153 588632030 /nfs/dbraw/zinc/63/20/30/588632030.db2.gz XSGWJJHBNCEKNZ-PWSUYJOCSA-N 1 2 219.288 1.349 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851810151 588632334 /nfs/dbraw/zinc/63/23/34/588632334.db2.gz XSGWJJHBNCEKNZ-CMPLNLGQSA-N 1 2 219.288 1.349 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851810151 588632335 /nfs/dbraw/zinc/63/23/35/588632335.db2.gz XSGWJJHBNCEKNZ-CMPLNLGQSA-N 1 2 219.288 1.349 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@H]1CCC(=O)O1)C1CC1 ZINC000851866288 588635590 /nfs/dbraw/zinc/63/55/90/588635590.db2.gz MLNXKYXZYYZFDZ-MWLCHTKSSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@H]1CCC(=O)O1)C1CC1 ZINC000851866288 588635591 /nfs/dbraw/zinc/63/55/91/588635591.db2.gz MLNXKYXZYYZFDZ-MWLCHTKSSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851866871 588636708 /nfs/dbraw/zinc/63/67/08/588636708.db2.gz YEWHRCYGQXIREU-PWSUYJOCSA-N 1 2 238.331 1.762 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@H]1COC(C)(C)O1)C1CC1 ZINC000851866871 588636709 /nfs/dbraw/zinc/63/67/09/588636709.db2.gz YEWHRCYGQXIREU-PWSUYJOCSA-N 1 2 238.331 1.762 20 30 BDEDLO C[C@@H]([NH2+]Cc1cnon1)c1ccc(C#N)cc1 ZINC000851898744 588641813 /nfs/dbraw/zinc/64/18/13/588641813.db2.gz XKHXHGBQXYXJEH-SECBINFHSA-N 1 2 228.255 1.792 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(CC)[nH]1)[C@H]1CCCO1 ZINC000851951209 588646943 /nfs/dbraw/zinc/64/69/43/588646943.db2.gz WEUFTLZPQBFSGI-GARJFASQSA-N 1 2 248.330 1.199 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)oc1C)[C@H]1CCCO1 ZINC000851951498 588647377 /nfs/dbraw/zinc/64/73/77/588647377.db2.gz XJEZQYJWWBXEIE-DGCLKSJQSA-N 1 2 234.299 1.562 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851977459 588650784 /nfs/dbraw/zinc/65/07/84/588650784.db2.gz ALCYAICWKIWSQG-UHFFFAOYSA-N 1 2 222.219 1.799 20 30 BDEDLO C#CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851977459 588650785 /nfs/dbraw/zinc/65/07/85/588650785.db2.gz ALCYAICWKIWSQG-UHFFFAOYSA-N 1 2 222.219 1.799 20 30 BDEDLO C#CCOCC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000852088847 588660819 /nfs/dbraw/zinc/66/08/19/588660819.db2.gz OOHUPMXRNLSDJA-CYBMUJFWSA-N 1 2 249.314 1.243 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnnn1CCCC ZINC000852096641 588661927 /nfs/dbraw/zinc/66/19/27/588661927.db2.gz DKCZLFBLFBZWPZ-GFCCVEGCSA-N 1 2 235.335 1.365 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(C)no1 ZINC000852100271 588662844 /nfs/dbraw/zinc/66/28/44/588662844.db2.gz VIWVIAYUKONWCT-KWQFWETISA-N 1 2 207.277 1.831 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc([C@H](C)OC)no1 ZINC000852101924 588663236 /nfs/dbraw/zinc/66/32/36/588663236.db2.gz IJALGVOQNYDZJQ-JOYOIKCWSA-N 1 2 237.303 1.669 20 30 BDEDLO N#CCCC[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852128936 588665758 /nfs/dbraw/zinc/66/57/58/588665758.db2.gz DRAIFBQDRUSMFA-UHFFFAOYSA-N 1 2 249.293 1.041 20 30 BDEDLO C#CCOCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000852134193 588666101 /nfs/dbraw/zinc/66/61/01/588666101.db2.gz AQHBKNKMSMRBKE-LBPRGKRZSA-N 1 2 241.331 1.202 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCOC(F)F)C1 ZINC000852684165 588695451 /nfs/dbraw/zinc/69/54/51/588695451.db2.gz BRGDMRPUNHWEEC-VIFPVBQESA-N 1 2 204.220 1.461 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCOC(F)F)C1 ZINC000852684165 588695452 /nfs/dbraw/zinc/69/54/52/588695452.db2.gz BRGDMRPUNHWEEC-VIFPVBQESA-N 1 2 204.220 1.461 20 30 BDEDLO CCN1C[C@H](C[N@@H+]2CC[C@](C)(C#N)C2)OC1=O ZINC000852687141 588696443 /nfs/dbraw/zinc/69/64/43/588696443.db2.gz PZFOVJFDQGBYSR-CMPLNLGQSA-N 1 2 237.303 1.063 20 30 BDEDLO CCN1C[C@H](C[N@H+]2CC[C@](C)(C#N)C2)OC1=O ZINC000852687141 588696444 /nfs/dbraw/zinc/69/64/44/588696444.db2.gz PZFOVJFDQGBYSR-CMPLNLGQSA-N 1 2 237.303 1.063 20 30 BDEDLO C#CC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000852742745 588697722 /nfs/dbraw/zinc/69/77/22/588697722.db2.gz VXVVDHDCDOBESJ-IUCAKERBSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000852742745 588697723 /nfs/dbraw/zinc/69/77/23/588697723.db2.gz VXVVDHDCDOBESJ-IUCAKERBSA-N 1 2 221.222 1.661 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@]1(C)CCCS1)C(=O)OC ZINC000862392359 589208091 /nfs/dbraw/zinc/20/80/91/589208091.db2.gz KWXACUPURNVREV-ZYHUDNBSSA-N 1 2 241.356 1.427 20 30 BDEDLO Cn1c(Cl)c[nH+]c1Cn1cccc(C#N)c1=O ZINC000119042285 589236903 /nfs/dbraw/zinc/23/69/03/589236903.db2.gz VYTRUMJXHLLHTH-UHFFFAOYSA-N 1 2 248.673 1.155 20 30 BDEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[C@H]1C#N ZINC000864079378 589340766 /nfs/dbraw/zinc/34/07/66/589340766.db2.gz XBMCLWAAXDMTHW-GXSJLCMTSA-N 1 2 232.287 1.103 20 30 BDEDLO C=CC[C@H](CO)CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865656589 589454499 /nfs/dbraw/zinc/45/44/99/589454499.db2.gz QHZOYOZALFXIIH-MNOVXSKESA-N 1 2 236.315 1.731 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NCCC)[nH+]cn1 ZINC000865731592 589458797 /nfs/dbraw/zinc/45/87/97/589458797.db2.gz SRQFGVUJQYZCAU-SNVBAGLBSA-N 1 2 218.304 1.756 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(NCCC)nc[nH+]1 ZINC000865731592 589458798 /nfs/dbraw/zinc/45/87/98/589458798.db2.gz SRQFGVUJQYZCAU-SNVBAGLBSA-N 1 2 218.304 1.756 20 30 BDEDLO Cc1cc(NC(=O)[C@@]2(C#N)CCCOC2)cc[nH+]1 ZINC000865741837 589460241 /nfs/dbraw/zinc/46/02/41/589460241.db2.gz TYRSDOOWQHVKFT-CYBMUJFWSA-N 1 2 245.282 1.071 20 30 BDEDLO COC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866213358 589480787 /nfs/dbraw/zinc/48/07/87/589480787.db2.gz PRAFJZGEVRREQB-VHSXEESVSA-N 1 2 234.299 1.949 20 30 BDEDLO COCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866213865 589480986 /nfs/dbraw/zinc/48/09/86/589480986.db2.gz AQBQQNXKKWXRAY-JTQLQIEISA-N 1 2 234.299 1.951 20 30 BDEDLO C[C@@H]([NH2+]CC(C)(C)O)c1cccc(C#N)c1O ZINC000866262284 589483449 /nfs/dbraw/zinc/48/34/49/589483449.db2.gz QHIHROYLHGJRHA-SECBINFHSA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866275678 589483888 /nfs/dbraw/zinc/48/38/88/589483888.db2.gz OOXZQKBQPRZUPK-MNOVXSKESA-N 1 2 248.326 1.933 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867530878 589524421 /nfs/dbraw/zinc/52/44/21/589524421.db2.gz IBWIVVSHAQOBNQ-SNVBAGLBSA-N 1 2 246.301 1.608 20 30 BDEDLO C=CCN(C)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867530878 589524423 /nfs/dbraw/zinc/52/44/23/589524423.db2.gz IBWIVVSHAQOBNQ-SNVBAGLBSA-N 1 2 246.301 1.608 20 30 BDEDLO CC(=O)N1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000017309420 589585125 /nfs/dbraw/zinc/58/51/25/589585125.db2.gz RKFKVBVSHQKFJH-XNTDXEJSSA-N 1 2 246.310 1.822 20 30 BDEDLO COc1cc(C)[nH+]c(COC(=O)C(C)(C)C#N)c1 ZINC000122768028 589631036 /nfs/dbraw/zinc/63/10/36/589631036.db2.gz HACBZXBWBWXKFI-UHFFFAOYSA-N 1 2 248.282 1.992 20 30 BDEDLO CC#CCCO[NH+]=C(N)COC1CCC1 ZINC000871778665 589814905 /nfs/dbraw/zinc/81/49/05/589814905.db2.gz RVMWSMMJXBJSAC-UHFFFAOYSA-N 1 2 210.277 1.467 20 30 BDEDLO Cc1cc(N=NC(C)c2cn(C)c[nH+]2)nc(C)n1 ZINC000872343190 589915030 /nfs/dbraw/zinc/91/50/30/589915030.db2.gz QXXIXXPREHLANI-UHFFFAOYSA-N 1 2 244.302 1.663 20 30 BDEDLO COc1ccnc(N=NC(C)c2cn(C)c[nH+]2)n1 ZINC000872342787 589915138 /nfs/dbraw/zinc/91/51/38/589915138.db2.gz ZPUOLHPEGHURII-UHFFFAOYSA-N 1 2 246.274 1.055 20 30 BDEDLO Cc1ccc(N=NC(C)c2cn(C)c[nH+]2)nc1 ZINC000872347855 589915705 /nfs/dbraw/zinc/91/57/05/589915705.db2.gz GVUIMFPZNRHARJ-UHFFFAOYSA-N 1 2 229.287 1.960 20 30 BDEDLO FC1(F)CC[C@H](C=[NH+]n2ccnn2)C1 ZINC000872380251 589927891 /nfs/dbraw/zinc/92/78/91/589927891.db2.gz XNOGMISFNHQZGO-ZETCQYMHSA-N 1 2 200.192 1.547 20 30 BDEDLO F[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000872387338 589930714 /nfs/dbraw/zinc/93/07/14/589930714.db2.gz JLVXKVSHNBHQMB-SNVBAGLBSA-N 1 2 224.283 1.741 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OC/C(Cl)=C/Cl ZINC000124399458 589984389 /nfs/dbraw/zinc/98/43/89/589984389.db2.gz XMZOSEZDHRRIKT-LPHWOVDOSA-N 1 2 227.091 1.629 20 30 BDEDLO COCC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876563754 590216145 /nfs/dbraw/zinc/21/61/45/590216145.db2.gz CPYPRVAVRXTGLK-UHFFFAOYSA-N 1 2 239.706 1.685 20 30 BDEDLO COCC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876563754 590216147 /nfs/dbraw/zinc/21/61/47/590216147.db2.gz CPYPRVAVRXTGLK-UHFFFAOYSA-N 1 2 239.706 1.685 20 30 BDEDLO N#C[C@H]1C[N@H+](CCC[C@H]2CCO2)CCN1C1CC1 ZINC000876735078 590234558 /nfs/dbraw/zinc/23/45/58/590234558.db2.gz YVTOKDPCYUHWDY-KBPBESRZSA-N 1 2 249.358 1.228 20 30 BDEDLO N#C[C@H]1C[N@@H+](CCC[C@H]2CCO2)CCN1C1CC1 ZINC000876735078 590234560 /nfs/dbraw/zinc/23/45/60/590234560.db2.gz YVTOKDPCYUHWDY-KBPBESRZSA-N 1 2 249.358 1.228 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cncc(OC)c1C ZINC000876746166 590235690 /nfs/dbraw/zinc/23/56/90/590235690.db2.gz UVKQWJDHNVLYIX-UHFFFAOYSA-N 1 2 228.295 1.467 20 30 BDEDLO N#CC1(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000877493204 590340790 /nfs/dbraw/zinc/34/07/90/590340790.db2.gz AQDOWNUAYLZMHT-UHFFFAOYSA-N 1 2 243.266 1.927 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)OC ZINC000877582817 590366482 /nfs/dbraw/zinc/36/64/82/590366482.db2.gz IAQAIJSUZQBPJA-NDBYEHHHSA-N 1 2 235.327 1.577 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C(=O)OC ZINC000877584043 590366599 /nfs/dbraw/zinc/36/65/99/590366599.db2.gz WSPXGLKSEYWGSD-UTLUCORTSA-N 1 2 227.329 1.035 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000877583001 590366984 /nfs/dbraw/zinc/36/69/84/590366984.db2.gz JWPHJAAFTHWYMW-WOPDTQHZSA-N 1 2 239.315 1.099 20 30 BDEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(C#N)CC1 ZINC000878016677 590473029 /nfs/dbraw/zinc/47/30/29/590473029.db2.gz RGDCEHIQGNLZHB-LLVKDONJSA-N 1 2 222.288 1.340 20 30 BDEDLO C#CC[N@H+](CC)CCCS(=O)(=O)C(C)(C)C ZINC000878167490 590514383 /nfs/dbraw/zinc/51/43/83/590514383.db2.gz UVZMACIBLTYUGA-UHFFFAOYSA-N 1 2 245.388 1.545 20 30 BDEDLO C#CC[N@@H+](CC)CCCS(=O)(=O)C(C)(C)C ZINC000878167490 590514386 /nfs/dbraw/zinc/51/43/86/590514386.db2.gz UVZMACIBLTYUGA-UHFFFAOYSA-N 1 2 245.388 1.545 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nccn1CC(F)F ZINC000878516246 590584766 /nfs/dbraw/zinc/58/47/66/590584766.db2.gz CKGDKPGTPQLSDF-SECBINFHSA-N 1 2 227.258 1.602 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nccn1CC(F)F ZINC000878516246 590584767 /nfs/dbraw/zinc/58/47/67/590584767.db2.gz CKGDKPGTPQLSDF-SECBINFHSA-N 1 2 227.258 1.602 20 30 BDEDLO C#C[C@@H](C)N(C)Cc1[nH+]ccn1CC(F)F ZINC000878516246 590584768 /nfs/dbraw/zinc/58/47/68/590584768.db2.gz CKGDKPGTPQLSDF-SECBINFHSA-N 1 2 227.258 1.602 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000878606683 590595983 /nfs/dbraw/zinc/59/59/83/590595983.db2.gz OCHNAUCKNIIFGH-GUBZILKMSA-N 1 2 229.345 1.445 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CC2CC2)no1 ZINC000878660866 590604814 /nfs/dbraw/zinc/60/48/14/590604814.db2.gz OFYNIQOOJYEYMQ-ZDUSSCGKSA-N 1 2 233.315 1.914 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878704421 590612523 /nfs/dbraw/zinc/61/25/23/590612523.db2.gz AOXDZFDEGKPHIS-OLZOCXBDSA-N 1 2 235.327 1.280 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878704421 590612524 /nfs/dbraw/zinc/61/25/24/590612524.db2.gz AOXDZFDEGKPHIS-OLZOCXBDSA-N 1 2 235.327 1.280 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccn(C)n1 ZINC000878705496 590613259 /nfs/dbraw/zinc/61/32/59/590613259.db2.gz YNUHAVYBDMFUCS-SECBINFHSA-N 1 2 230.271 1.736 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878813393 590625079 /nfs/dbraw/zinc/62/50/79/590625079.db2.gz WYASLMWLYYWSST-YIZRAAEISA-N 1 2 231.242 1.301 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878813393 590625081 /nfs/dbraw/zinc/62/50/81/590625081.db2.gz WYASLMWLYYWSST-YIZRAAEISA-N 1 2 231.242 1.301 20 30 BDEDLO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000878817665 590627296 /nfs/dbraw/zinc/62/72/96/590627296.db2.gz XGFGKDLLAXOTPB-NWDGAFQWSA-N 1 2 239.363 1.963 20 30 BDEDLO C[C@@H](CC#N)NCc1[nH+]ccn1CC(F)F ZINC000878819663 590627808 /nfs/dbraw/zinc/62/78/08/590627808.db2.gz ACUSQPOJMGQZDB-QMMMGPOBSA-N 1 2 228.246 1.540 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000878844342 590631337 /nfs/dbraw/zinc/63/13/37/590631337.db2.gz XFJMSHILQBZPGS-NSHDSACASA-N 1 2 245.326 1.867 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000878844342 590631341 /nfs/dbraw/zinc/63/13/41/590631341.db2.gz XFJMSHILQBZPGS-NSHDSACASA-N 1 2 245.326 1.867 20 30 BDEDLO C#CC[N@@H+](Cc1conc1CC)C1CSC1 ZINC000878910468 590647932 /nfs/dbraw/zinc/64/79/32/590647932.db2.gz NDXCJOGDZIGGCQ-UHFFFAOYSA-N 1 2 236.340 1.788 20 30 BDEDLO C#CC[N@H+](Cc1conc1CC)C1CSC1 ZINC000878910468 590647936 /nfs/dbraw/zinc/64/79/36/590647936.db2.gz NDXCJOGDZIGGCQ-UHFFFAOYSA-N 1 2 236.340 1.788 20 30 BDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OC(C)C ZINC000127455788 590675315 /nfs/dbraw/zinc/67/53/15/590675315.db2.gz XBOKEHYANOTATA-VIFPVBQESA-N 1 2 202.298 1.745 20 30 BDEDLO C=C(C)C[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879981827 590903851 /nfs/dbraw/zinc/90/38/51/590903851.db2.gz XPAIHAFHPINNHO-LLVKDONJSA-N 1 2 211.305 1.884 20 30 BDEDLO N#Cc1cnccc1C[NH+]1CCC(F)CC1 ZINC000880238452 590971054 /nfs/dbraw/zinc/97/10/54/590971054.db2.gz GYSHSFBXHMFMBA-UHFFFAOYSA-N 1 2 219.263 1.887 20 30 BDEDLO C#CC[C@@H](COC)Nc1nc[nH+]c(C)c1C ZINC000882672077 591409113 /nfs/dbraw/zinc/40/91/13/591409113.db2.gz VQUDVDOAYNJIGU-NSHDSACASA-N 1 2 219.288 1.544 20 30 BDEDLO C[C@@H](O[NH+]=C(N)CO)c1cccc(C#N)c1 ZINC000883012487 591512846 /nfs/dbraw/zinc/51/28/46/591512846.db2.gz IGDMNWNWGBNNOG-MRVPVSSYSA-N 1 2 219.244 1.110 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](C)CCC)CC1 ZINC000133407717 591789644 /nfs/dbraw/zinc/78/96/44/591789644.db2.gz CUOLFZAMMGXGPA-ZDUSSCGKSA-N 1 2 236.359 1.590 20 30 BDEDLO C[C@H]1COCC1=[NH+]n1cc(Br)cn1 ZINC000884443100 591936129 /nfs/dbraw/zinc/93/61/29/591936129.db2.gz ZQBBKSPWBYCEHU-LURJTMIESA-N 1 2 244.092 1.516 20 30 BDEDLO C#CCC[C@@H](O)CNc1cc[nH+]c(CC)n1 ZINC000884496062 591956825 /nfs/dbraw/zinc/95/68/25/591956825.db2.gz LHRXRZDLLQQVHG-SNVBAGLBSA-N 1 2 219.288 1.225 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc[nH+]c(CC)n1 ZINC000884523573 591965532 /nfs/dbraw/zinc/96/55/32/591965532.db2.gz AFOYEQYKEAWDBN-SNVBAGLBSA-N 1 2 221.304 1.778 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCCCC(C)(C)C#N ZINC000135509553 592015388 /nfs/dbraw/zinc/01/53/88/592015388.db2.gz HATXBUCILOMDRV-VIFPVBQESA-N 1 2 227.308 1.640 20 30 BDEDLO C=CCC1(O)CCN(c2cc[nH+]c(CC)n2)CC1 ZINC000884724955 592015550 /nfs/dbraw/zinc/01/55/50/592015550.db2.gz OCMFUBWYOXQCND-UHFFFAOYSA-N 1 2 247.342 1.946 20 30 BDEDLO COC(C[N@H+](CCC#N)CC1CC1)OC ZINC000136777470 592149915 /nfs/dbraw/zinc/14/99/15/592149915.db2.gz WAPBIPJGOGPPGZ-UHFFFAOYSA-N 1 2 212.293 1.231 20 30 BDEDLO COC(C[N@@H+](CCC#N)CC1CC1)OC ZINC000136777470 592149917 /nfs/dbraw/zinc/14/99/17/592149917.db2.gz WAPBIPJGOGPPGZ-UHFFFAOYSA-N 1 2 212.293 1.231 20 30 BDEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000886364102 592218715 /nfs/dbraw/zinc/21/87/15/592218715.db2.gz OPOUQDRLYVWIGO-SNVBAGLBSA-N 1 2 235.287 1.061 20 30 BDEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(COC)n2)C1 ZINC000886364102 592218718 /nfs/dbraw/zinc/21/87/18/592218718.db2.gz OPOUQDRLYVWIGO-SNVBAGLBSA-N 1 2 235.287 1.061 20 30 BDEDLO C#CCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC000886800067 592330967 /nfs/dbraw/zinc/33/09/67/592330967.db2.gz DHNOQKILVVEVPA-LBPRGKRZSA-N 1 2 245.326 1.896 20 30 BDEDLO C=CCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890110418 592684153 /nfs/dbraw/zinc/68/41/53/592684153.db2.gz OWGYZJPWFIOMGI-UHFFFAOYSA-N 1 2 207.277 1.393 20 30 BDEDLO C=CCOCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890110766 592684657 /nfs/dbraw/zinc/68/46/57/592684657.db2.gz UJOKALPELBUOBV-UHFFFAOYSA-N 1 2 237.303 1.019 20 30 BDEDLO N#CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000336707506 635219971 /nfs/dbraw/zinc/21/99/71/635219971.db2.gz QFWKWKHPNOJXGJ-UHFFFAOYSA-N 1 2 234.690 1.991 20 30 BDEDLO CC1(C)OC[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)O1 ZINC000932154841 635601916 /nfs/dbraw/zinc/60/19/16/635601916.db2.gz ORDYVTVCQLVHFQ-WDEREUQCSA-N 1 2 224.304 1.373 20 30 BDEDLO CC1(C)OC[C@@H](C[N@H+]2CCC[C@@H](C#N)C2)O1 ZINC000932154841 635601920 /nfs/dbraw/zinc/60/19/20/635601920.db2.gz ORDYVTVCQLVHFQ-WDEREUQCSA-N 1 2 224.304 1.373 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2OCCO2)o1 ZINC000933896747 631544810 /nfs/dbraw/zinc/54/48/10/631544810.db2.gz OVYIFXPUNNGBMC-GFCCVEGCSA-N 1 2 248.282 1.489 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2OCCO2)o1 ZINC000933896747 631544811 /nfs/dbraw/zinc/54/48/11/631544811.db2.gz OVYIFXPUNNGBMC-GFCCVEGCSA-N 1 2 248.282 1.489 20 30 BDEDLO C#CCCCCC(=O)NCc1c[nH+]cn1C ZINC000291423806 631724417 /nfs/dbraw/zinc/72/44/17/631724417.db2.gz KSUGOUWJOAYQJU-UHFFFAOYSA-N 1 2 219.288 1.230 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(CC)[nH]1 ZINC000934462361 631854174 /nfs/dbraw/zinc/85/41/74/631854174.db2.gz TWPWZCVEVQBHRS-VIFPVBQESA-N 1 2 206.293 1.518 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(CC)[nH]1 ZINC000934462361 631854177 /nfs/dbraw/zinc/85/41/77/631854177.db2.gz TWPWZCVEVQBHRS-VIFPVBQESA-N 1 2 206.293 1.518 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC000972703458 632636345 /nfs/dbraw/zinc/63/63/45/632636345.db2.gz DMZLCBISSIPZDK-JTQLQIEISA-N 1 2 244.766 1.976 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC000972703458 632636348 /nfs/dbraw/zinc/63/63/48/632636348.db2.gz DMZLCBISSIPZDK-JTQLQIEISA-N 1 2 244.766 1.976 20 30 BDEDLO CC(=[NH+]OCCOC(C)C)c1csc(N)n1 ZINC000309251016 632842472 /nfs/dbraw/zinc/84/24/72/632842472.db2.gz DZTFFAOTPZBDIH-UHFFFAOYSA-N 1 2 243.332 1.891 20 30 BDEDLO CCc1nnc(CO[NH+]=C(N)c2ccccc2)o1 ZINC000178287537 633202505 /nfs/dbraw/zinc/20/25/05/633202505.db2.gz CSJFYVZVHYTONF-UHFFFAOYSA-N 1 2 246.270 1.469 20 30 BDEDLO Cc1ccc2ncc(C[NH2+]CCC#N)n2c1 ZINC000309848183 633840996 /nfs/dbraw/zinc/84/09/96/633840996.db2.gz HSBDFNPFRLGFOV-UHFFFAOYSA-N 1 2 214.272 1.646 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930876060 634148010 /nfs/dbraw/zinc/14/80/10/634148010.db2.gz MQQPLINMDFJQGD-GXFFZTMASA-N 1 2 241.331 1.387 20 30 BDEDLO Cc1nn2c(C[NH2+]CCC#N)c(C)nc2s1 ZINC000336682949 635220617 /nfs/dbraw/zinc/22/06/17/635220617.db2.gz DHYMKTWFCMTIMP-UHFFFAOYSA-N 1 2 235.316 1.411 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC000950035102 635231139 /nfs/dbraw/zinc/23/11/39/635231139.db2.gz SPGXTNMISLPOPZ-NWDGAFQWSA-N 1 2 222.332 1.363 20 30 BDEDLO C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000928623894 636213335 /nfs/dbraw/zinc/21/33/35/636213335.db2.gz RGVYTNQTFTXMPE-GFCCVEGCSA-N 1 2 233.315 1.704 20 30 BDEDLO N#Cc1nccnc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928008 636832794 /nfs/dbraw/zinc/83/27/94/636832794.db2.gz NSVJOAWZHLAIHY-SNVBAGLBSA-N 1 2 249.293 1.194 20 30 BDEDLO N#Cc1nccnc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928008 636832799 /nfs/dbraw/zinc/83/27/99/636832799.db2.gz NSVJOAWZHLAIHY-SNVBAGLBSA-N 1 2 249.293 1.194 20 30 BDEDLO C#CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927099139 637032312 /nfs/dbraw/zinc/03/23/12/637032312.db2.gz OTSOFVUEOFXAAX-UHFFFAOYSA-N 1 2 229.283 1.118 20 30 BDEDLO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(C#N)c1O ZINC000927143636 637053890 /nfs/dbraw/zinc/05/38/90/637053890.db2.gz HCNHAVUIJQIPJK-NHCYSSNCSA-N 1 2 246.310 1.685 20 30 BDEDLO C#CCC(C)(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906716 637063875 /nfs/dbraw/zinc/06/38/75/637063875.db2.gz OIECTNXXPNVRAY-UHFFFAOYSA-N 1 2 247.342 1.784 20 30 BDEDLO Cc1[nH]c(/C=C/C(=O)c2cnn(C)n2)[nH+]c1C ZINC000905078137 637578883 /nfs/dbraw/zinc/57/88/83/637578883.db2.gz LSUWYUQOXJWXEL-SNAWJCMRSA-N 1 2 231.259 1.051 20 30 BDEDLO C#CC[N@H+](Cn1c2ccccc2oc1=O)C(C)C ZINC000905743515 637903814 /nfs/dbraw/zinc/90/38/14/637903814.db2.gz UBNDHZIOTZBEHY-UHFFFAOYSA-N 1 2 244.294 1.896 20 30 BDEDLO C#CC[N@@H+](Cn1c2ccccc2oc1=O)C(C)C ZINC000905743515 637903817 /nfs/dbraw/zinc/90/38/17/637903817.db2.gz UBNDHZIOTZBEHY-UHFFFAOYSA-N 1 2 244.294 1.896 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)C(=O)OC ZINC000905777883 637907956 /nfs/dbraw/zinc/90/79/56/637907956.db2.gz GTLVHRJIENPFPY-DGCLKSJQSA-N 1 2 248.326 1.892 20 30 BDEDLO C#CC[C@H](CCOC)[NH2+][C@@H](CC=C)C(=O)OC ZINC000905778144 637907961 /nfs/dbraw/zinc/90/79/61/637907961.db2.gz OVGVPCOIYOMJJU-NEPJUHHUSA-N 1 2 239.315 1.122 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1C[C@H]1C(C)C)C(=O)OC ZINC000905772396 637927793 /nfs/dbraw/zinc/92/77/93/637927793.db2.gz OBIARKIKNUAMNW-HBNTYKKESA-N 1 2 211.305 1.738 20 30 BDEDLO C=CC[C@H]([NH2+][C@H](C)CSC)C(=O)OC ZINC000905761223 637916948 /nfs/dbraw/zinc/91/69/48/637916948.db2.gz NBHKQYVOXJNNIC-BDAKNGLRSA-N 1 2 217.334 1.445 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@@H]1CCCCO1)C(=O)OC ZINC000905763857 637919279 /nfs/dbraw/zinc/91/92/79/637919279.db2.gz SSOWWXWHVJMACQ-RYUDHWBXSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C(=O)OC ZINC000905771991 637927777 /nfs/dbraw/zinc/92/77/77/637927777.db2.gz BGSIGFOIDDYZMI-SCZZXKLOSA-N 1 2 233.258 1.739 20 30 BDEDLO C=CC[C@H]([NH2+]CCCc1ccco1)C(=O)OC ZINC000905773540 637928966 /nfs/dbraw/zinc/92/89/66/637928966.db2.gz IZZXVHKJMTWCOE-LBPRGKRZSA-N 1 2 237.299 1.920 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907949798 638519951 /nfs/dbraw/zinc/51/99/51/638519951.db2.gz ZUNPEHUUJBTRGX-GWCFXTLKSA-N 1 2 249.314 1.050 20 30 BDEDLO C#CCN(CC#N)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000907979635 638534103 /nfs/dbraw/zinc/53/41/03/638534103.db2.gz LLRIVHCFLWNCNA-UHFFFAOYSA-N 1 2 241.294 1.606 20 30 BDEDLO C=CCN(CCC#N)C(=O)CNc1cccc[nH+]1 ZINC000908343309 638658567 /nfs/dbraw/zinc/65/85/67/638658567.db2.gz QEAITDCQNVHWJP-UHFFFAOYSA-N 1 2 244.298 1.422 20 30 BDEDLO C=CC(C)(C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908761027 639063232 /nfs/dbraw/zinc/06/32/32/639063232.db2.gz QSNBRWJUYDZMTB-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623836 639828149 /nfs/dbraw/zinc/82/81/49/639828149.db2.gz VFUQWCMJOSBYSO-GXSJLCMTSA-N 1 2 243.257 1.132 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623836 639828150 /nfs/dbraw/zinc/82/81/50/639828150.db2.gz VFUQWCMJOSBYSO-GXSJLCMTSA-N 1 2 243.257 1.132 20 30 BDEDLO C#CC[N@@H+](Cc1cnn(C)n1)C(C)(C)C ZINC000932462129 640535372 /nfs/dbraw/zinc/53/53/72/640535372.db2.gz OYVJICYLWSFBJN-UHFFFAOYSA-N 1 2 206.293 1.049 20 30 BDEDLO C#CC[N@H+](Cc1cnn(C)n1)C(C)(C)C ZINC000932462129 640535382 /nfs/dbraw/zinc/53/53/82/640535382.db2.gz OYVJICYLWSFBJN-UHFFFAOYSA-N 1 2 206.293 1.049 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030071973 640574585 /nfs/dbraw/zinc/57/45/85/640574585.db2.gz GFRXWIQAUOUOPY-MWLCHTKSSA-N 1 2 208.305 1.019 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001030095769 640590796 /nfs/dbraw/zinc/59/07/96/640590796.db2.gz MBTUKLBWRWFZDM-GFCCVEGCSA-N 1 2 234.343 1.719 20 30 BDEDLO C=CC[N@H+]1CCOc2c(cccc2C(=O)OC)C1 ZINC000932665138 640602373 /nfs/dbraw/zinc/60/23/73/640602373.db2.gz ZQNPPSNLZIRWCR-UHFFFAOYSA-N 1 2 247.294 1.854 20 30 BDEDLO C=CC[N@@H+]1CCOc2c(cccc2C(=O)OC)C1 ZINC000932665138 640602378 /nfs/dbraw/zinc/60/23/78/640602378.db2.gz ZQNPPSNLZIRWCR-UHFFFAOYSA-N 1 2 247.294 1.854 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775159 640764870 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CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)CC ZINC001032289383 643454669 /nfs/dbraw/zinc/45/46/69/643454669.db2.gz YTTJUOJHMNBVEL-KBPBESRZSA-N 1 2 248.370 1.731 20 30 BDEDLO N#C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000921543330 643593153 /nfs/dbraw/zinc/59/31/53/643593153.db2.gz KTDVNMIBWJCVNQ-LLVKDONJSA-N 1 2 232.287 1.082 20 30 BDEDLO CC(C)(C#N)C(=O)OCc1ccc[nH+]c1N ZINC000922363712 643982260 /nfs/dbraw/zinc/98/22/60/643982260.db2.gz ZBMACUSXCFQWNL-UHFFFAOYSA-N 1 2 219.244 1.257 20 30 BDEDLO C=CCCOCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922386850 643985255 /nfs/dbraw/zinc/98/52/55/643985255.db2.gz QEWDZDYKUNIVAJ-UHFFFAOYSA-N 1 2 236.271 1.300 20 30 BDEDLO CC(C)(C#N)CC(=O)OCc1ccc[nH+]c1N ZINC000922655585 644059633 /nfs/dbraw/zinc/05/96/33/644059633.db2.gz GMVVHBKEFUHZKY-UHFFFAOYSA-N 1 2 233.271 1.647 20 30 BDEDLO C[C@H](CC#N)C(=O)OCc1ccc[nH+]c1N ZINC000922856941 644119148 /nfs/dbraw/zinc/11/91/48/644119148.db2.gz NDAOUEWXRGRBPA-MRVPVSSYSA-N 1 2 219.244 1.257 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000951175848 644201687 /nfs/dbraw/zinc/20/16/87/644201687.db2.gz AGLQMRLSWIKMSX-CHWSQXEVSA-N 1 2 236.359 1.753 20 30 BDEDLO CCOCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000742353311 644565018 /nfs/dbraw/zinc/56/50/18/644565018.db2.gz ZXOQOVQYBYPSAL-UHFFFAOYSA-N 1 2 240.278 1.889 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001017298868 644632302 /nfs/dbraw/zinc/63/23/02/644632302.db2.gz NOMSOPLRIUJPIS-TXEJJXNPSA-N 1 2 220.316 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001017298868 644632310 /nfs/dbraw/zinc/63/23/10/644632310.db2.gz NOMSOPLRIUJPIS-TXEJJXNPSA-N 1 2 220.316 1.095 20 30 BDEDLO CC(C)O[NH+]=Cc1cnc(N(C)C)s1 ZINC000834999789 645156102 /nfs/dbraw/zinc/15/61/02/645156102.db2.gz GEDLQMXAPLQSLH-UHFFFAOYSA-N 1 2 213.306 1.968 20 30 BDEDLO CC[C@@H]([NH2+]C/C=C\CO)c1cccc(C#N)c1O ZINC000926689201 645358806 /nfs/dbraw/zinc/35/88/06/645358806.db2.gz NRCWBHBJTIOMSX-DHCBQETCSA-N 1 2 246.310 1.853 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000847017838 645415321 /nfs/dbraw/zinc/41/53/21/645415321.db2.gz FESVQYYHHKKDJP-GHMZBOCLSA-N 1 2 245.330 1.414 20 30 BDEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000847017838 645415328 /nfs/dbraw/zinc/41/53/28/645415328.db2.gz FESVQYYHHKKDJP-GHMZBOCLSA-N 1 2 245.330 1.414 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000847017290 645415758 /nfs/dbraw/zinc/41/57/58/645415758.db2.gz BHPGLYQDIMADCN-LLVKDONJSA-N 1 2 232.331 1.773 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000847017290 645415765 /nfs/dbraw/zinc/41/57/65/645415765.db2.gz BHPGLYQDIMADCN-LLVKDONJSA-N 1 2 232.331 1.773 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000862575790 645700942 /nfs/dbraw/zinc/70/09/42/645700942.db2.gz YFWIJEOORBQHGT-NSHDSACASA-N 1 2 245.326 1.559 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CCC#N)[nH]c1C ZINC000877484230 645797985 /nfs/dbraw/zinc/79/79/85/645797985.db2.gz YPEAGENNNFIXHL-UHFFFAOYSA-N 1 2 221.260 1.113 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)c1snnc1C ZINC000929786157 646314449 /nfs/dbraw/zinc/31/44/49/646314449.db2.gz FMFOJIJAQYTQPZ-SECBINFHSA-N 1 2 209.318 1.863 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)c1snnc1C ZINC000929786157 646314453 /nfs/dbraw/zinc/31/44/53/646314453.db2.gz FMFOJIJAQYTQPZ-SECBINFHSA-N 1 2 209.318 1.863 20 30 BDEDLO C[N@@H+](Cc1nc2ccccc2o1)C[C@H](O)CC#N ZINC000930032526 646404250 /nfs/dbraw/zinc/40/42/50/646404250.db2.gz RLUFUDBTQROJOT-SNVBAGLBSA-N 1 2 245.282 1.534 20 30 BDEDLO C[N@H+](Cc1nc2ccccc2o1)C[C@H](O)CC#N ZINC000930032526 646404253 /nfs/dbraw/zinc/40/42/53/646404253.db2.gz RLUFUDBTQROJOT-SNVBAGLBSA-N 1 2 245.282 1.534 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000894854493 711772918 /nfs/dbraw/zinc/77/29/18/711772918.db2.gz IMOPKVHGWHTARW-YVECIDJPSA-N 1 2 235.327 1.720 20 30 BDEDLO C#CC[C@@H](COC)[NH2+]Cc1nnc(CC)s1 ZINC000716395814 712557944 /nfs/dbraw/zinc/55/79/44/712557944.db2.gz RSQVXPJLNFGPNI-VIFPVBQESA-N 1 2 239.344 1.228 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000379928037 712631452 /nfs/dbraw/zinc/63/14/52/712631452.db2.gz UVEXNHZYTQEXDW-WDEREUQCSA-N 1 2 207.277 1.151 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](C#N)C1 ZINC000379928037 712631454 /nfs/dbraw/zinc/63/14/54/712631454.db2.gz UVEXNHZYTQEXDW-WDEREUQCSA-N 1 2 207.277 1.151 20 30 BDEDLO C#C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCO1 ZINC000379946481 712635873 /nfs/dbraw/zinc/63/58/73/712635873.db2.gz DCFVIVNEMABKBU-GHMZBOCLSA-N 1 2 204.273 1.061 20 30 BDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038004093 712897683 /nfs/dbraw/zinc/89/76/83/712897683.db2.gz SXEDORQEGLUXCY-HNNXBMFYSA-N 1 2 242.322 1.249 20 30 BDEDLO CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038004093 712897684 /nfs/dbraw/zinc/89/76/84/712897684.db2.gz SXEDORQEGLUXCY-HNNXBMFYSA-N 1 2 242.322 1.249 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001038677828 710701272 /nfs/dbraw/zinc/70/12/72/710701272.db2.gz UPMQLERXPUJZCH-GUTXKFCHSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001038677828 710701273 /nfs/dbraw/zinc/70/12/73/710701273.db2.gz UPMQLERXPUJZCH-GUTXKFCHSA-N 1 2 246.354 1.390 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038717579 710703054 /nfs/dbraw/zinc/70/30/54/710703054.db2.gz ACYCGGYXXLTKTI-HZSPNIEDSA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038717579 710703056 /nfs/dbraw/zinc/70/30/56/710703056.db2.gz ACYCGGYXXLTKTI-HZSPNIEDSA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038717581 710703467 /nfs/dbraw/zinc/70/34/67/710703467.db2.gz ACYCGGYXXLTKTI-MGPQQGTHSA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038717581 710703473 /nfs/dbraw/zinc/70/34/73/710703473.db2.gz ACYCGGYXXLTKTI-MGPQQGTHSA-N 1 2 248.370 1.492 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCCCC2)C1 ZINC001042419588 710783219 /nfs/dbraw/zinc/78/32/19/710783219.db2.gz QTTKWMKSVDFNGR-UHFFFAOYSA-N 1 2 236.359 1.895 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC001042457931 710785039 /nfs/dbraw/zinc/78/50/39/710785039.db2.gz HQWVALDWCNVOBS-GFCCVEGCSA-N 1 2 234.343 1.671 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC001043980068 710815901 /nfs/dbraw/zinc/81/59/01/710815901.db2.gz GFZFKURMMLLYBS-GFCCVEGCSA-N 1 2 234.343 1.505 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001038184474 711474888 /nfs/dbraw/zinc/47/48/88/711474888.db2.gz DIGAEPQOMSXCHO-CQSZACIVSA-N 1 2 246.354 1.701 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001038184474 711474890 /nfs/dbraw/zinc/47/48/90/711474890.db2.gz DIGAEPQOMSXCHO-CQSZACIVSA-N 1 2 246.354 1.701 20 30 BDEDLO Cc1cc(C)[nH+]c(CN2CCO[C@@H](C#N)C2)c1 ZINC000723613714 711525543 /nfs/dbraw/zinc/52/55/43/711525543.db2.gz GNCNDXQKHHXBLR-ZDUSSCGKSA-N 1 2 231.299 1.423 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2cncc(C#N)c2)cn1 ZINC000721524543 711617524 /nfs/dbraw/zinc/61/75/24/711617524.db2.gz WTPCHUMCPQEXAY-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2cncc(C#N)c2)cn1 ZINC000721524543 711617527 /nfs/dbraw/zinc/61/75/27/711617527.db2.gz WTPCHUMCPQEXAY-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO CCC#CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000893844038 711762792 /nfs/dbraw/zinc/76/27/92/711762792.db2.gz VGLFKEQIZKJFMF-UHFFFAOYSA-N 1 2 246.310 1.719 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038051975 711818077 /nfs/dbraw/zinc/81/80/77/711818077.db2.gz HWVOJZAIHXSHAF-QWHCGFSZSA-N 1 2 232.327 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038051975 711818079 /nfs/dbraw/zinc/81/80/79/711818079.db2.gz HWVOJZAIHXSHAF-QWHCGFSZSA-N 1 2 232.327 1.166 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2oc(C)nc2C)C1 ZINC001030183353 711827509 /nfs/dbraw/zinc/82/75/09/711827509.db2.gz IFHCLYQLROYRGR-UHFFFAOYSA-N 1 2 249.314 1.282 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C=C ZINC001032563431 711926179 /nfs/dbraw/zinc/92/61/79/711926179.db2.gz WFKGWOZPVUAKPM-RYUDHWBXSA-N 1 2 232.327 1.117 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C=C ZINC001032563431 711926180 /nfs/dbraw/zinc/92/61/80/711926180.db2.gz WFKGWOZPVUAKPM-RYUDHWBXSA-N 1 2 232.327 1.117 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC ZINC001032598672 711928530 /nfs/dbraw/zinc/92/85/30/711928530.db2.gz RPEPZVMQIBFFTI-STQMWFEESA-N 1 2 248.370 1.731 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC ZINC001032598672 711928532 /nfs/dbraw/zinc/92/85/32/711928532.db2.gz RPEPZVMQIBFFTI-STQMWFEESA-N 1 2 248.370 1.731 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703212481 712068549 /nfs/dbraw/zinc/06/85/49/712068549.db2.gz FYTJPSOLSDTHNB-SSDOTTSWSA-N 1 2 211.211 1.782 20 30 BDEDLO C[N@H+](CCC#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715407207 712517312 /nfs/dbraw/zinc/51/73/12/712517312.db2.gz MSUNLFHFTNRQRD-NEPJUHHUSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715407207 712517313 /nfs/dbraw/zinc/51/73/13/712517313.db2.gz MSUNLFHFTNRQRD-NEPJUHHUSA-N 1 2 208.305 1.789 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2ncccn2)CC1 ZINC000717471688 712659590 /nfs/dbraw/zinc/65/95/90/712659590.db2.gz KZZOTPRNTPBQTJ-UHFFFAOYSA-N 1 2 233.315 1.380 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000309028277 959558567 /nfs/dbraw/zinc/55/85/67/959558567.db2.gz CBIYRABOFGCKGF-ZJUUUORDSA-N 1 2 229.345 1.589 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H](C)C2CC2)C1 ZINC001269894040 962819760 /nfs/dbraw/zinc/81/97/60/962819760.db2.gz ZNRIYRLLXHCYFS-NSHDSACASA-N 1 2 236.359 1.751 20 30 BDEDLO CCc1cc(C[NH+]2CCC(C#N)CC2)on1 ZINC001203212186 963556290 /nfs/dbraw/zinc/55/62/90/963556290.db2.gz LYZOANVHUIKHEZ-UHFFFAOYSA-N 1 2 219.288 1.973 20 30 BDEDLO CCN(Cc1ccc(C#N)cc1)C1C[NH+](C)C1 ZINC001203905980 966819311 /nfs/dbraw/zinc/81/93/11/966819311.db2.gz IAZXDYBRSQQTNR-UHFFFAOYSA-N 1 2 229.327 1.694 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CCOC(C)C)C1 ZINC001494341333 968006506 /nfs/dbraw/zinc/00/65/06/968006506.db2.gz YWKKZUGGPGGNLJ-UHFFFAOYSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001252571420 968821350 /nfs/dbraw/zinc/82/13/50/968821350.db2.gz ITFGGMOSSOXNID-JQWIXIFHSA-N 1 2 229.320 1.101 20 30 BDEDLO C=C[C@@](C)(O)C[NH2+]CC(F)(F)c1ccccn1 ZINC001252578631 968830595 /nfs/dbraw/zinc/83/05/95/968830595.db2.gz SDQJRSXJQCWSEO-LLVKDONJSA-N 1 2 242.269 1.700 20 30 BDEDLO COC(=O)[C@H]1CC[C@H](C[N@@H+](C)[C@H](C)C#N)CC1 ZINC001208632446 969178649 /nfs/dbraw/zinc/17/86/49/969178649.db2.gz QOPJJZPVIFZTNB-IJLUTSLNSA-N 1 2 238.331 1.810 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@@H](O)CCCCC)C(=O)OC ZINC001253554348 969225825 /nfs/dbraw/zinc/22/58/25/969225825.db2.gz LITVKFNRYPAVCM-NWDGAFQWSA-N 1 2 243.347 1.635 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976010 969294772 /nfs/dbraw/zinc/29/47/72/969294772.db2.gz YGVGQKHCOWOXJT-SRVKXCTJSA-N 1 2 239.319 1.960 20 30 BDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)C=C)[C@@H](C)CC ZINC001253599882 969293112 /nfs/dbraw/zinc/29/31/12/969293112.db2.gz AHDIBFFGNFCRET-TUAOUCFPSA-N 1 2 241.331 1.267 20 30 BDEDLO Nc1ccc(NC=CC(=O)C(F)(F)F)c[nH+]1 ZINC001169476431 969671850 /nfs/dbraw/zinc/67/18/50/969671850.db2.gz ZKMPELAGXWAGOB-ONEGZZNKSA-N 1 2 231.177 1.721 20 30 BDEDLO C=CC[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254666390 969774976 /nfs/dbraw/zinc/77/49/76/969774976.db2.gz VGJQKTFRRMNAFA-STQMWFEESA-N 1 2 219.332 1.482 20 30 BDEDLO COC1(C)C[NH+](Cc2ccc(C#N)cc2O)C1 ZINC001233383650 978592896 /nfs/dbraw/zinc/59/28/96/978592896.db2.gz PNWAEYYFGYMMCF-UHFFFAOYSA-N 1 2 232.283 1.485 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]2(F)Cl)CC1 ZINC001181658311 979228978 /nfs/dbraw/zinc/22/89/78/979228978.db2.gz FDYLFXLQZVTXLL-GXSJLCMTSA-N 1 2 246.713 1.241 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cccn1C1CC1 ZINC001347781334 981173441 /nfs/dbraw/zinc/17/34/41/981173441.db2.gz BFZMKHRIBHNKTO-UHFFFAOYSA-N 1 2 212.296 1.891 20 30 BDEDLO CC(C)COCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001172474988 974771342 /nfs/dbraw/zinc/77/13/42/974771342.db2.gz YHPVVQFWXGVTES-CHWSQXEVSA-N 1 2 239.363 1.235 20 30 BDEDLO C=CCCn1cc(C[NH2+][C@@H](C=C)COC)nn1 ZINC001327829489 972751477 /nfs/dbraw/zinc/75/14/77/972751477.db2.gz GBLRGPYFDJQUFJ-NSHDSACASA-N 1 2 236.319 1.145 20 30 BDEDLO CCOC(=O)C1([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256953239 971027004 /nfs/dbraw/zinc/02/70/04/971027004.db2.gz HJAJBMGVLMDCEQ-UHFFFAOYSA-N 1 2 236.315 1.754 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H](CC)CCC)C(=O)OC ZINC001257251437 971146973 /nfs/dbraw/zinc/14/69/73/971146973.db2.gz PFMVIHFLBPDJGI-QWRGUYRKSA-N 1 2 211.305 1.720 20 30 BDEDLO CC(C)C#CC(=O)N[C@H](C)C1C[NH+](CCF)C1 ZINC001329997119 974069792 /nfs/dbraw/zinc/06/97/92/974069792.db2.gz IZANZZSWZUDKGD-LLVKDONJSA-N 1 2 240.322 1.052 20 30 BDEDLO CC(C)(C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257895972 971511695 /nfs/dbraw/zinc/51/16/95/971511695.db2.gz BUZUMDBHZQEXGP-UHFFFAOYSA-N 1 2 208.305 1.837 20 30 BDEDLO C=C1C[C@@H]2CC(N3CC[NH2+]C[C@H]3C#N)C[C@H](C1)C2 ZINC001257892308 971528241 /nfs/dbraw/zinc/52/82/41/971528241.db2.gz WYQSGSXQWMLDJK-IZGVIRRGSA-N 1 2 245.370 1.919 20 30 BDEDLO CC[C@H](C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257902303 971533178 /nfs/dbraw/zinc/53/31/78/971533178.db2.gz UCMPXDDZDVDOCT-SNVBAGLBSA-N 1 2 208.305 1.837 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170719035 971648158 /nfs/dbraw/zinc/64/81/58/971648158.db2.gz BUERXDULJOKSOG-QEYWKRMJSA-N 1 2 243.372 1.482 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)OC ZINC001170727676 971665172 /nfs/dbraw/zinc/66/51/72/971665172.db2.gz OMBFWXUZSZTKQM-YFKTTZPYSA-N 1 2 235.327 1.576 20 30 BDEDLO C=CC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001136818968 972262797 /nfs/dbraw/zinc/26/27/97/972262797.db2.gz OVDBNPVGXGVLFP-UHFFFAOYSA-N 1 2 219.288 1.479 20 30 BDEDLO C=CC[N@@H+](C)Cc1cnn(C)c1C(=O)OCC ZINC001136909041 972298760 /nfs/dbraw/zinc/29/87/60/972298760.db2.gz SVPFIYFJSSRTAM-UHFFFAOYSA-N 1 2 237.303 1.215 20 30 BDEDLO C=CC[N@H+](C)Cc1cnn(C)c1C(=O)OCC ZINC001136909041 972298762 /nfs/dbraw/zinc/29/87/62/972298762.db2.gz SVPFIYFJSSRTAM-UHFFFAOYSA-N 1 2 237.303 1.215 20 30 BDEDLO Cc1cccn2c(CN3CC(C#N)C3)c[nH+]c12 ZINC001136958405 972304159 /nfs/dbraw/zinc/30/41/59/972304159.db2.gz PTVSMVLHMWHZTN-UHFFFAOYSA-N 1 2 226.283 1.598 20 30 BDEDLO C#CCC1([NH2+][C@@H](C)C(=O)OCC)CCC1 ZINC000933300584 958350233 /nfs/dbraw/zinc/35/02/33/958350233.db2.gz ASDQGEDSAYLYDS-JTQLQIEISA-N 1 2 209.289 1.474 20 30 BDEDLO Cc1cnc(C#N)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167617794 959091528 /nfs/dbraw/zinc/09/15/28/959091528.db2.gz ZYCCLBZJBOJVQJ-UHFFFAOYSA-N 1 2 240.270 1.246 20 30 BDEDLO O=C(CCS)Nc1ccn2cc[nH+]c2c1 ZINC001143977706 972449846 /nfs/dbraw/zinc/44/98/46/972449846.db2.gz CNALAFAUDQLCJR-UHFFFAOYSA-N 1 2 221.285 1.593 20 30 BDEDLO O=C(CCS)NCc1c[nH+]cn1C1CCC1 ZINC001143992485 972462589 /nfs/dbraw/zinc/46/25/89/972462589.db2.gz DIGZAOAYJSNXPM-UHFFFAOYSA-N 1 2 239.344 1.544 20 30 BDEDLO C[Si](C)(C)C#C[NH2+][C@@H]1NC(=O)c2ccccc21 ZINC001171126072 972465783 /nfs/dbraw/zinc/46/57/83/972465783.db2.gz NLSOPWGVCVULLM-GFCCVEGCSA-N 1 2 244.370 1.857 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)CCOCC(C)C)C1 ZINC001267636784 960155819 /nfs/dbraw/zinc/15/58/19/960155819.db2.gz DCSPESUXZMGLCJ-UHFFFAOYSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001144027485 972501199 /nfs/dbraw/zinc/50/11/99/972501199.db2.gz QDSJAHGXXZFCOS-RYUDHWBXSA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001144027485 972501209 /nfs/dbraw/zinc/50/12/09/972501209.db2.gz QDSJAHGXXZFCOS-RYUDHWBXSA-N 1 2 240.347 1.036 20 30 BDEDLO C#CC[NH+]1CCN(Cc2[nH]cc(C)c2C)CC1 ZINC001140863091 960647137 /nfs/dbraw/zinc/64/71/37/960647137.db2.gz XWZRWBGXHGBCPN-UHFFFAOYSA-N 1 2 231.343 1.382 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccn2ccnc2c1 ZINC001141049235 960839498 /nfs/dbraw/zinc/83/94/98/960839498.db2.gz CLZSFYASZYCFOV-UHFFFAOYSA-N 1 2 223.279 1.403 20 30 BDEDLO C#CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000692850512 960890677 /nfs/dbraw/zinc/89/06/77/960890677.db2.gz BBUAJMLHJOFNMY-UHFFFAOYSA-N 1 2 211.224 1.444 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)[C@@H](C)CC)C1 ZINC001481590554 961279385 /nfs/dbraw/zinc/27/93/85/961279385.db2.gz DLNPWLJYOAWFSG-RYUDHWBXSA-N 1 2 236.359 1.492 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CC(CC)CC)C1 ZINC001481590445 961284227 /nfs/dbraw/zinc/28/42/27/961284227.db2.gz CBMZACUJMTZMFI-UHFFFAOYSA-N 1 2 236.359 1.636 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C(C)(F)F)C1 ZINC001268453064 961822006 /nfs/dbraw/zinc/82/20/06/961822006.db2.gz FCZOYJGMZHTSPF-VIFPVBQESA-N 1 2 246.301 1.654 20 30 BDEDLO C[C@@H](C#N)N(C)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152977122 962508349 /nfs/dbraw/zinc/50/83/49/962508349.db2.gz JRZPKKXDWXBQJD-QMMMGPOBSA-N 1 2 228.255 1.547 20 30 BDEDLO Cc1cc(Cl)nc(NOCC[NH3+])c1C#N ZINC001156285040 963302934 /nfs/dbraw/zinc/30/29/34/963302934.db2.gz CWGWKIQOPUYDPE-UHFFFAOYSA-N 1 2 226.667 1.217 20 30 BDEDLO C[C@H](CCO)Nc1cc(CC#N)cc[nH+]1 ZINC001156451560 963354590 /nfs/dbraw/zinc/35/45/90/963354590.db2.gz JLQCEAITOMPGMZ-SECBINFHSA-N 1 2 205.261 1.330 20 30 BDEDLO N#Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001162255886 964890033 /nfs/dbraw/zinc/89/00/33/964890033.db2.gz ISNZRAQYZSCUFF-UHFFFAOYSA-N 1 2 246.295 1.202 20 30 BDEDLO N#CCc1ccc[nH+]c1NC[C@H]1CCNC(=O)C1 ZINC001162324309 964928878 /nfs/dbraw/zinc/92/88/78/964928878.db2.gz AWEROHBOLZRXCQ-JTQLQIEISA-N 1 2 244.298 1.086 20 30 BDEDLO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC001162683541 965113168 /nfs/dbraw/zinc/11/31/68/965113168.db2.gz HYDAZFOSRCQQJN-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001162683541 965113177 /nfs/dbraw/zinc/11/31/77/965113177.db2.gz HYDAZFOSRCQQJN-GFCCVEGCSA-N 1 2 246.314 1.004 20 30 BDEDLO C[N@@H+]1CCO[C@H](CNc2cc(C#N)ccc2F)C1 ZINC001162683367 965116596 /nfs/dbraw/zinc/11/65/96/965116596.db2.gz FFZHVKPWGXWVHX-LLVKDONJSA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCO[C@H](CNc2cc(C#N)ccc2F)C1 ZINC001162683367 965116599 /nfs/dbraw/zinc/11/65/99/965116599.db2.gz FFZHVKPWGXWVHX-LLVKDONJSA-N 1 2 249.289 1.440 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC001030087829 965140240 /nfs/dbraw/zinc/14/02/40/965140240.db2.gz BDTXFTMDAWZSDK-LBPRGKRZSA-N 1 2 232.327 1.166 20 30 BDEDLO Cc1nsc(NCc2ccc[nH+]c2N)c1C#N ZINC001163326167 965334591 /nfs/dbraw/zinc/33/45/91/965334591.db2.gz CVIYRASABSBZMA-UHFFFAOYSA-N 1 2 245.311 1.913 20 30 BDEDLO N#Cc1ccnc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001232478894 965362867 /nfs/dbraw/zinc/36/28/67/965362867.db2.gz XSOGZMBBSLIDNI-UHFFFAOYSA-N 1 2 243.310 1.566 20 30 BDEDLO CNc1ccc(Nc2cn(C)nc2C#N)c[nH+]1 ZINC001203449826 965501291 /nfs/dbraw/zinc/50/12/91/965501291.db2.gz MDVRBICPNUJEOZ-UHFFFAOYSA-N 1 2 228.259 1.472 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001483692419 965505748 /nfs/dbraw/zinc/50/57/48/965505748.db2.gz ZGIVEYJJAQKDSL-ZDUSSCGKSA-N 1 2 246.354 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001483692419 965505754 /nfs/dbraw/zinc/50/57/54/965505754.db2.gz ZGIVEYJJAQKDSL-ZDUSSCGKSA-N 1 2 246.354 1.246 20 30 BDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC=CC3)c12 ZINC001163918788 965628933 /nfs/dbraw/zinc/62/89/33/965628933.db2.gz RCGUNZJVJYPSIF-UHFFFAOYSA-N 1 2 210.240 1.811 20 30 BDEDLO C[C@@H]1CN(c2cc(CC#N)cc[nH+]2)CCCO1 ZINC001163963135 965666612 /nfs/dbraw/zinc/66/66/12/965666612.db2.gz WSZUHDQYPRSOEW-LLVKDONJSA-N 1 2 231.299 1.763 20 30 BDEDLO C[C@H]1CN(c2cc(CC#N)cc[nH+]2)CCCO1 ZINC001163963136 965667182 /nfs/dbraw/zinc/66/71/82/965667182.db2.gz WSZUHDQYPRSOEW-NSHDSACASA-N 1 2 231.299 1.763 20 30 BDEDLO C[C@@H]1CN(c2cc(CC#N)cc[nH+]2)CC[C@@]1(C)O ZINC001164351124 965855097 /nfs/dbraw/zinc/85/50/97/965855097.db2.gz YZBZSDPXJUFWBV-BXUZGUMPSA-N 1 2 245.326 1.745 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(Cl)ccn1 ZINC001164624477 965935090 /nfs/dbraw/zinc/93/50/90/965935090.db2.gz DMWRJTMMDUMCDX-SECBINFHSA-N 1 2 222.679 1.037 20 30 BDEDLO CCSc1ccnc(N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164660330 965942989 /nfs/dbraw/zinc/94/29/89/965942989.db2.gz CBLPTOJGASYTTF-SNVBAGLBSA-N 1 2 248.355 1.495 20 30 BDEDLO C[C@H](CCO)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001165893748 966189372 /nfs/dbraw/zinc/18/93/72/966189372.db2.gz MLTOBXWAFIKIEL-SNVBAGLBSA-N 1 2 231.299 1.820 20 30 BDEDLO CN(CCC1OCCO1)c1cc(CC#N)cc[nH+]1 ZINC001167027161 966523085 /nfs/dbraw/zinc/52/30/85/966523085.db2.gz XDVRLLPNPHQGRB-UHFFFAOYSA-N 1 2 247.298 1.347 20 30 BDEDLO C[N@H+](Cc1cccc(C#N)c1)C1COC1 ZINC001203762307 966775695 /nfs/dbraw/zinc/77/56/95/966775695.db2.gz DHJDJRHNGKOJBM-UHFFFAOYSA-N 1 2 202.257 1.389 20 30 BDEDLO C[N@@H+](Cc1cccc(C#N)c1)C1COC1 ZINC001203762307 966775707 /nfs/dbraw/zinc/77/57/07/966775707.db2.gz DHJDJRHNGKOJBM-UHFFFAOYSA-N 1 2 202.257 1.389 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cocc1C ZINC001038607656 966835331 /nfs/dbraw/zinc/83/53/31/966835331.db2.gz QBKSMBUYDFRNBV-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cocc1C ZINC001038607656 966835335 /nfs/dbraw/zinc/83/53/35/966835335.db2.gz QBKSMBUYDFRNBV-GFCCVEGCSA-N 1 2 246.310 1.415 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001032419459 966868733 /nfs/dbraw/zinc/86/87/33/966868733.db2.gz KCUKWKCDDIQDKH-STQMWFEESA-N 1 2 248.370 1.587 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001032419459 966868735 /nfs/dbraw/zinc/86/87/35/966868735.db2.gz KCUKWKCDDIQDKH-STQMWFEESA-N 1 2 248.370 1.587 20 30 BDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccoc2)CC1 ZINC001204247618 966948273 /nfs/dbraw/zinc/94/82/73/966948273.db2.gz LJPXCXHHGGSREI-UHFFFAOYSA-N 1 2 248.282 1.558 20 30 BDEDLO COc1ccc(C[NH+]2CC(CC#N)C2)nc1C ZINC001249892043 967131021 /nfs/dbraw/zinc/13/10/21/967131021.db2.gz KWIZXQHXPSHLOY-UHFFFAOYSA-N 1 2 231.299 1.744 20 30 BDEDLO C#Cc1cc(Nc2ccc3nncn3c2)cc[nH+]1 ZINC001249999932 967255770 /nfs/dbraw/zinc/25/57/70/967255770.db2.gz OSXAMKFJOLSNRW-UHFFFAOYSA-N 1 2 235.250 1.271 20 30 BDEDLO C#Cc1cc(Nc2ccnn2CC)cc[nH+]1 ZINC001205269010 967460944 /nfs/dbraw/zinc/46/09/44/967460944.db2.gz WRUFWHYZIJEMGI-UHFFFAOYSA-N 1 2 212.256 1.445 20 30 BDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001128404778 967544220 /nfs/dbraw/zinc/54/42/20/967544220.db2.gz DAFYBOLCNCKHIV-UHFFFAOYSA-N 1 2 248.330 1.039 20 30 BDEDLO CN1C[C@H](CNc2ccc(CC#N)c[nH+]2)CC1=O ZINC001168716492 967613560 /nfs/dbraw/zinc/61/35/60/967613560.db2.gz BQJABVRPEBNUMT-NSHDSACASA-N 1 2 244.298 1.038 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](OC)C(C)C)C1 ZINC001494441827 968022080 /nfs/dbraw/zinc/02/20/80/968022080.db2.gz OTEZHDPPDYGNNU-LBPRGKRZSA-N 1 2 240.347 1.034 20 30 BDEDLO C[C@H](C(=O)N1CCC[C@H](C#N)C1)n1cc[nH+]c1 ZINC001119711389 968456523 /nfs/dbraw/zinc/45/65/23/968456523.db2.gz KGVJQADNTLBJBW-GHMZBOCLSA-N 1 2 232.287 1.206 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1cc(CO)on1 ZINC001119700548 968458384 /nfs/dbraw/zinc/45/83/84/968458384.db2.gz HUODVWPCSQMPHQ-BDAKNGLRSA-N 1 2 226.276 1.019 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccncn2)cc1C#N ZINC001207109376 968636008 /nfs/dbraw/zinc/63/60/08/968636008.db2.gz XOKOZNZTKRECHE-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccncn2)cc1C#N ZINC001207109376 968636013 /nfs/dbraw/zinc/63/60/13/968636013.db2.gz XOKOZNZTKRECHE-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001252571123 968820475 /nfs/dbraw/zinc/82/04/75/968820475.db2.gz DRFULDLDSCTODF-SKDRFNHKSA-N 1 2 229.320 1.101 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001252581843 968834810 /nfs/dbraw/zinc/83/48/10/968834810.db2.gz KNMHCJZMQPVTMN-GWCFXTLKSA-N 1 2 243.347 1.633 20 30 BDEDLO C=CCC[C@@H](O)C[NH+]1CC(Oc2cccnc2)C1 ZINC001252599947 968856629 /nfs/dbraw/zinc/85/66/29/968856629.db2.gz QKJFIYVBHFLPAO-GFCCVEGCSA-N 1 2 248.326 1.472 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](CC=C)C(=O)OC ZINC001252617701 968877880 /nfs/dbraw/zinc/87/78/80/968877880.db2.gz IXFRNIKLXFKGBD-MNOVXSKESA-N 1 2 227.304 1.021 20 30 BDEDLO COC(=O)[C@H]1CC[C@H](C[N@H+](C)[C@H](C)C#N)CC1 ZINC001208632446 969178647 /nfs/dbraw/zinc/17/86/47/969178647.db2.gz QOPJJZPVIFZTNB-IJLUTSLNSA-N 1 2 238.331 1.810 20 30 BDEDLO C=C[C@H](O)CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001253567933 969239649 /nfs/dbraw/zinc/23/96/49/969239649.db2.gz WHFOPTPKWWEMDK-GJZGRUSLSA-N 1 2 246.354 1.522 20 30 BDEDLO C=C[C@H](O)CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001253567933 969239660 /nfs/dbraw/zinc/23/96/60/969239660.db2.gz WHFOPTPKWWEMDK-GJZGRUSLSA-N 1 2 246.354 1.522 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC001253745292 969365849 /nfs/dbraw/zinc/36/58/49/969365849.db2.gz KKYZENRPJJHILL-ZJUUUORDSA-N 1 2 229.320 1.101 20 30 BDEDLO N#CC1C[NH+](CC2Cc3ccccc3C2)C1 ZINC001209317595 969443509 /nfs/dbraw/zinc/44/35/09/969443509.db2.gz BLYBCSZWXIYRRP-UHFFFAOYSA-N 1 2 212.296 1.857 20 30 BDEDLO C[C@@H]1C[C@@H](C[NH+]2CC(C#N)C2)C[C@H](C)O1 ZINC001209377651 969452030 /nfs/dbraw/zinc/45/20/30/969452030.db2.gz GXBSOFSKLNYAJY-JGPRNRPPSA-N 1 2 208.305 1.645 20 30 BDEDLO N#CCc1ccc[nH+]c1NC[C@@H](O)C(F)(F)F ZINC001169455629 969641993 /nfs/dbraw/zinc/64/19/93/969641993.db2.gz BBKNZKOTXHROHD-MRVPVSSYSA-N 1 2 245.204 1.483 20 30 BDEDLO N#Cc1cnc(Nc2ccc3[nH]c[nH+]c3c2)cn1 ZINC001209841040 969649056 /nfs/dbraw/zinc/64/90/56/969649056.db2.gz BMUQRCZUZVEKFT-UHFFFAOYSA-N 1 2 236.238 1.968 20 30 BDEDLO N#Cc1cncc(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209842695 969652869 /nfs/dbraw/zinc/65/28/69/969652869.db2.gz PKZIUMDHSRTHRX-UHFFFAOYSA-N 1 2 236.238 1.968 20 30 BDEDLO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC ZINC001254636302 969752415 /nfs/dbraw/zinc/75/24/15/969752415.db2.gz JWGMQPYJZQGBAH-BJDJZHNGSA-N 1 2 238.331 1.856 20 30 BDEDLO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2NC(=O)c3ccccc32)C1 ZINC001254646021 969761732 /nfs/dbraw/zinc/76/17/32/969761732.db2.gz JAUNBFYZSUTFLA-GBIKHYSHSA-N 1 2 241.294 1.710 20 30 BDEDLO CC#Cc1cncc(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC001169654859 969801754 /nfs/dbraw/zinc/80/17/54/969801754.db2.gz AKBBZHPWZKGMSO-CQSZACIVSA-N 1 2 245.326 1.196 20 30 BDEDLO CC#Cc1cncc(NC[C@@H]2COCC[N@H+]2C)c1 ZINC001169654859 969801759 /nfs/dbraw/zinc/80/17/59/969801759.db2.gz AKBBZHPWZKGMSO-CQSZACIVSA-N 1 2 245.326 1.196 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001254992151 969842071 /nfs/dbraw/zinc/84/20/71/969842071.db2.gz VOHIJDCDLXEGAF-UWVGGRQHSA-N 1 2 220.276 1.108 20 30 BDEDLO Cc1[nH+]cc(Nc2cncc(C#N)n2)cc1N ZINC001210286923 969853454 /nfs/dbraw/zinc/85/34/54/969853454.db2.gz GWSIFUXHWGQMTG-UHFFFAOYSA-N 1 2 226.243 1.378 20 30 BDEDLO Cc1[nH+]cc(-n2ccc(C#N)c2N)cc1N ZINC001210286801 969853885 /nfs/dbraw/zinc/85/38/85/969853885.db2.gz CALLTQMRTRVSEQ-UHFFFAOYSA-N 1 2 213.244 1.217 20 30 BDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001255175526 969993431 /nfs/dbraw/zinc/99/34/31/969993431.db2.gz PXGJQXJODUBFGS-QWRGUYRKSA-N 1 2 223.320 1.231 20 30 BDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001255175526 969993436 /nfs/dbraw/zinc/99/34/36/969993436.db2.gz PXGJQXJODUBFGS-QWRGUYRKSA-N 1 2 223.320 1.231 20 30 BDEDLO O=C1C=C2C[N@H+]([C@@H]3CCSC3)CCC2S1 ZINC001255283812 970041127 /nfs/dbraw/zinc/04/11/27/970041127.db2.gz CDIVEVZIZVGIFH-NXEZZACHSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCSC3)CCC2S1 ZINC001255283812 970041139 /nfs/dbraw/zinc/04/11/39/970041139.db2.gz CDIVEVZIZVGIFH-NXEZZACHSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@H+]([C@@H]3CCSC3)CC[C@H]2S1 ZINC001255283812 970041148 /nfs/dbraw/zinc/04/11/48/970041148.db2.gz CDIVEVZIZVGIFH-NXEZZACHSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCSC3)CC[C@H]2S1 ZINC001255283812 970041159 /nfs/dbraw/zinc/04/11/59/970041159.db2.gz CDIVEVZIZVGIFH-NXEZZACHSA-N 1 2 241.381 1.766 20 30 BDEDLO C=CCCC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112688625 970152421 /nfs/dbraw/zinc/15/24/21/970152421.db2.gz VTNULBOLXFVRBC-UHFFFAOYSA-N 1 2 220.316 1.120 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC001112710866 970155683 /nfs/dbraw/zinc/15/56/83/970155683.db2.gz KDTLDJUPLYQBLL-NSHDSACASA-N 1 2 242.388 1.316 20 30 BDEDLO C=C(C)C(=O)OCCNc1cc(CC#N)cc[nH+]1 ZINC001157305144 970190229 /nfs/dbraw/zinc/19/02/29/970190229.db2.gz WIGMFRWARYCXMT-UHFFFAOYSA-N 1 2 245.282 1.679 20 30 BDEDLO CC#CC[NH+]1CCN(C(=O)CCC(F)F)CC1 ZINC001113115566 970345487 /nfs/dbraw/zinc/34/54/87/970345487.db2.gz KZOZPTZGBSEIPU-UHFFFAOYSA-N 1 2 244.285 1.199 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001113468152 970438872 /nfs/dbraw/zinc/43/88/72/970438872.db2.gz DNKINTXJPABBPR-QWHCGFSZSA-N 1 2 238.375 1.999 20 30 BDEDLO C[C@@H](Cc1ccccc1F)N1CC[NH2+]C[C@@H]1C#N ZINC001255846197 970517967 /nfs/dbraw/zinc/51/79/67/970517967.db2.gz MLUKTCOIDHNJNG-AAEUAGOBSA-N 1 2 247.317 1.554 20 30 BDEDLO CC[C@H]1C[C@H]([NH2+][C@@H](CS)C(=O)OC)CCO1 ZINC001170170181 970544520 /nfs/dbraw/zinc/54/45/20/970544520.db2.gz RYFUZWCSEDBTOQ-UTLUCORTSA-N 1 2 247.360 1.005 20 30 BDEDLO N#C[C@H]1CN(C2CC[NH+](C3CC3)CC2)CCC1=O ZINC001256079484 970649539 /nfs/dbraw/zinc/64/95/39/970649539.db2.gz LAWJFGGZINHFTQ-NSHDSACASA-N 1 2 247.342 1.028 20 30 BDEDLO C=CCC(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001144078165 972553955 /nfs/dbraw/zinc/55/39/55/972553955.db2.gz WIAUGGRMKOGXQL-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO CC[N@H+](Cc1cncc(C#N)c1)C1CN(C)C1 ZINC001144084628 972561457 /nfs/dbraw/zinc/56/14/57/972561457.db2.gz JVMSAYVSXXTTPS-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO CC[N@@H+](Cc1cncc(C#N)c1)C1CN(C)C1 ZINC001144084628 972561466 /nfs/dbraw/zinc/56/14/66/972561466.db2.gz JVMSAYVSXXTTPS-UHFFFAOYSA-N 1 2 230.315 1.089 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)nc1 ZINC001144166771 972658557 /nfs/dbraw/zinc/65/85/57/972658557.db2.gz VLUPWJTYRXPLQH-ZDUSSCGKSA-N 1 2 229.283 1.318 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC[C@@]23CCOC3)nc1 ZINC001144166771 972658562 /nfs/dbraw/zinc/65/85/62/972658562.db2.gz VLUPWJTYRXPLQH-ZDUSSCGKSA-N 1 2 229.283 1.318 20 30 BDEDLO C=CCN(CCC#N)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001327873899 972773331 /nfs/dbraw/zinc/77/33/31/972773331.db2.gz KIGCXOUQOUDXLL-LLVKDONJSA-N 1 2 232.287 1.372 20 30 BDEDLO C#Cc1ccc(C[NH+]2CCC(=O)CC2)cc1 ZINC001144568091 972874495 /nfs/dbraw/zinc/87/44/95/972874495.db2.gz KVWQWDSSZQRWLC-UHFFFAOYSA-N 1 2 213.280 1.833 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cnn(CC)n2)C1 ZINC001328215495 972910054 /nfs/dbraw/zinc/91/00/54/972910054.db2.gz NRQNGJCSSYCBFK-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](Cc2cnn(CC)n2)C1 ZINC001328215495 972910073 /nfs/dbraw/zinc/91/00/73/972910073.db2.gz NRQNGJCSSYCBFK-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172150380 974411112 /nfs/dbraw/zinc/41/11/12/974411112.db2.gz NKZOEPQJKMQXOR-SCRDCRAPSA-N 1 2 249.358 1.668 20 30 BDEDLO CC[NH+]1CC(Oc2c(CC#N)cccc2OC)C1 ZINC001225842818 974704022 /nfs/dbraw/zinc/70/40/22/974704022.db2.gz NVGQFUTZWURPMQ-UHFFFAOYSA-N 1 2 246.310 1.844 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CCCC#N ZINC001172480353 974779979 /nfs/dbraw/zinc/77/99/79/974779979.db2.gz SELMXODOBLXOIC-IUCAKERBSA-N 1 2 230.333 1.130 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332055236 974936602 /nfs/dbraw/zinc/93/66/02/974936602.db2.gz WVWGUHIKJOHZQR-SKDRFNHKSA-N 1 2 248.330 1.481 20 30 BDEDLO C=C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001332055236 974936609 /nfs/dbraw/zinc/93/66/09/974936609.db2.gz WVWGUHIKJOHZQR-SKDRFNHKSA-N 1 2 248.330 1.481 20 30 BDEDLO Cc1cc(C#N)cc(OC2C[NH+](C)C2)c1 ZINC001227836827 975726917 /nfs/dbraw/zinc/72/69/17/975726917.db2.gz SFQKMHZFXVCQKG-UHFFFAOYSA-N 1 2 202.257 1.560 20 30 BDEDLO C#Cc1cc(Nc2ccc(C(N)=O)cc2)cc[nH+]1 ZINC001174047771 976275976 /nfs/dbraw/zinc/27/59/76/976275976.db2.gz GWZZKKGXPAJMEX-UHFFFAOYSA-N 1 2 237.262 1.327 20 30 BDEDLO C#Cc1cc(Nc2cncc(OC)c2)cc[nH+]1 ZINC001174087951 976354503 /nfs/dbraw/zinc/35/45/03/976354503.db2.gz IOFTUMVQHKXRLK-UHFFFAOYSA-N 1 2 225.251 1.632 20 30 BDEDLO N#Cc1cc(CN2CCn3c[nH+]cc3C2)cs1 ZINC001334286219 976423617 /nfs/dbraw/zinc/42/36/17/976423617.db2.gz FICCPTPWGWYTGI-UHFFFAOYSA-N 1 2 244.323 1.832 20 30 BDEDLO N#Cc1cc(Nc2cc[nH+]c3[nH]ccc32)ccn1 ZINC001174408297 976691183 /nfs/dbraw/zinc/69/11/83/976691183.db2.gz JIRMDSJIAGVVLK-UHFFFAOYSA-N 1 2 235.250 1.947 20 30 BDEDLO C=C[C@@H](COC)[NH2+]Cc1nnc(C2CC2)s1 ZINC001334999564 976820721 /nfs/dbraw/zinc/82/07/21/976820721.db2.gz BCDSJXKJXMFGRN-VIFPVBQESA-N 1 2 239.344 1.706 20 30 BDEDLO C#Cc1cc(Nc2ccc3c(c2)OCO3)cc[nH+]1 ZINC001174861148 977130330 /nfs/dbraw/zinc/13/03/30/977130330.db2.gz HCUPTTPRVKJXIE-UHFFFAOYSA-N 1 2 238.246 1.957 20 30 BDEDLO C#Cc1cc(Nc2cc(CO)ccc2F)cc[nH+]1 ZINC001175128625 977281649 /nfs/dbraw/zinc/28/16/49/977281649.db2.gz QJQCNROBSJMTPC-UHFFFAOYSA-N 1 2 242.253 1.860 20 30 BDEDLO C#Cc1cc(Nc2cnc(OCC)nc2)cc[nH+]1 ZINC001175553978 977535293 /nfs/dbraw/zinc/53/52/93/977535293.db2.gz QHIDPXZDEYDDJL-UHFFFAOYSA-N 1 2 240.266 1.417 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccnc1OC(C)C ZINC001231759595 977732964 /nfs/dbraw/zinc/73/29/64/977732964.db2.gz QUDJKRKSRDFXIZ-UHFFFAOYSA-N 1 2 218.300 1.934 20 30 BDEDLO C#CC[N@H+](C)Cc1cccnc1OC(C)C ZINC001231759595 977732976 /nfs/dbraw/zinc/73/29/76/977732976.db2.gz QUDJKRKSRDFXIZ-UHFFFAOYSA-N 1 2 218.300 1.934 20 30 BDEDLO COc1cc[nH+]c(CN2CCCC[C@H]2C#N)c1 ZINC001231968616 977813056 /nfs/dbraw/zinc/81/30/56/977813056.db2.gz OXMYHVQRJMBFLB-LBPRGKRZSA-N 1 2 231.299 1.968 20 30 BDEDLO COc1cc[nH+]cc1Nc1nnccc1C#N ZINC001176119464 977950695 /nfs/dbraw/zinc/95/06/95/977950695.db2.gz UCFGMOXLKKOIIY-UHFFFAOYSA-N 1 2 227.227 1.495 20 30 BDEDLO COc1cc[nH+]cc1Nc1c(C#N)ncn1C ZINC001176119453 977952820 /nfs/dbraw/zinc/95/28/20/977952820.db2.gz SRRYTUDGZBUJTA-UHFFFAOYSA-N 1 2 229.243 1.439 20 30 BDEDLO Cc1[nH+]c(N)ccc1CN1CCC[C@H]1C#N ZINC001232338145 978016477 /nfs/dbraw/zinc/01/64/77/978016477.db2.gz SZUBXUUQDRJMPV-NSHDSACASA-N 1 2 216.288 1.460 20 30 BDEDLO CC1(C)C[NH+](Cc2cc(C#N)ccn2)C1 ZINC001232474878 978123667 /nfs/dbraw/zinc/12/36/67/978123667.db2.gz JNNMVSFDAQXBRJ-UHFFFAOYSA-N 1 2 201.273 1.795 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(OCC)ccn1 ZINC001232583869 978186774 /nfs/dbraw/zinc/18/67/74/978186774.db2.gz RSNUSUZTLAIKJZ-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(OCC)ccn1 ZINC001232583869 978186777 /nfs/dbraw/zinc/18/67/77/978186777.db2.gz RSNUSUZTLAIKJZ-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO CO[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232677794 978241953 /nfs/dbraw/zinc/24/19/53/978241953.db2.gz JZVMCRFCHOMKNX-JTQLQIEISA-N 1 2 246.310 1.731 20 30 BDEDLO N#Cc1ccc(O)c(C[NH+]2CC(C3COC3)C2)c1 ZINC001232674356 978243467 /nfs/dbraw/zinc/24/34/67/978243467.db2.gz XVJGAWQKPAEIHE-UHFFFAOYSA-N 1 2 244.294 1.342 20 30 BDEDLO CO[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674364 978243822 /nfs/dbraw/zinc/24/38/22/978243822.db2.gz YBVHWPYCJLDELR-GFCCVEGCSA-N 1 2 232.283 1.485 20 30 BDEDLO CO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674364 978243840 /nfs/dbraw/zinc/24/38/40/978243840.db2.gz YBVHWPYCJLDELR-GFCCVEGCSA-N 1 2 232.283 1.485 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001232674682 978244124 /nfs/dbraw/zinc/24/41/24/978244124.db2.gz CNOIWLTVZWYSSO-TZMCWYRMSA-N 1 2 244.294 1.627 20 30 BDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001232674682 978244131 /nfs/dbraw/zinc/24/41/31/978244131.db2.gz CNOIWLTVZWYSSO-TZMCWYRMSA-N 1 2 244.294 1.627 20 30 BDEDLO CN(CC(=O)NC1(C#N)CCC1)c1cccc[nH+]1 ZINC001177408334 978352228 /nfs/dbraw/zinc/35/22/28/978352228.db2.gz CPOOXZCQRCXTSF-UHFFFAOYSA-N 1 2 244.298 1.080 20 30 BDEDLO CC[N@H+](CCOC)Cc1[nH]ccc1C#N ZINC001233043462 978425358 /nfs/dbraw/zinc/42/53/58/978425358.db2.gz PVJHKJYMDBJBGX-UHFFFAOYSA-N 1 2 207.277 1.355 20 30 BDEDLO CC[N@@H+](CCOC)Cc1[nH]ccc1C#N ZINC001233043462 978425361 /nfs/dbraw/zinc/42/53/61/978425361.db2.gz PVJHKJYMDBJBGX-UHFFFAOYSA-N 1 2 207.277 1.355 20 30 BDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(F)CC1 ZINC001233045196 978426891 /nfs/dbraw/zinc/42/68/91/978426891.db2.gz BXPQXENHMDGCIE-UHFFFAOYSA-N 1 2 207.252 1.820 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001337641445 978438774 /nfs/dbraw/zinc/43/87/74/978438774.db2.gz WXYWKXBFCNFHGU-NEPJUHHUSA-N 1 2 246.310 1.650 20 30 BDEDLO C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC001337708989 978467997 /nfs/dbraw/zinc/46/79/97/978467997.db2.gz VOLBWFLRDIYTFE-AAEUAGOBSA-N 1 2 246.314 1.596 20 30 BDEDLO N#Cc1cccc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001177993762 978495062 /nfs/dbraw/zinc/49/50/62/978495062.db2.gz QVJIMKPASURZRI-UHFFFAOYSA-N 1 2 241.254 1.248 20 30 BDEDLO N#CC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC001233361080 978570877 /nfs/dbraw/zinc/57/08/77/978570877.db2.gz YBGIFDLTHNXRPM-UHFFFAOYSA-N 1 2 212.256 1.290 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233383843 978595390 /nfs/dbraw/zinc/59/53/90/978595390.db2.gz YKQXJTYFAJSRGU-SNVBAGLBSA-N 1 2 232.283 1.485 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCO1 ZINC001233383843 978595393 /nfs/dbraw/zinc/59/53/93/978595393.db2.gz YKQXJTYFAJSRGU-SNVBAGLBSA-N 1 2 232.283 1.485 20 30 BDEDLO C=C(C)CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001338782618 978735489 /nfs/dbraw/zinc/73/54/89/978735489.db2.gz UUBKEARDGBDZIA-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO Cc1c[nH+]cc(C)c1NC(=O)CC(C)(C)C#N ZINC001338991420 978769384 /nfs/dbraw/zinc/76/93/84/978769384.db2.gz FZHNSBHXHBGVNT-UHFFFAOYSA-N 1 2 231.299 1.999 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(=O)[nH]n1 ZINC001339191703 978814479 /nfs/dbraw/zinc/81/44/79/978814479.db2.gz CMODOKLXPPQJNO-QMMMGPOBSA-N 1 2 218.260 1.137 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001339847954 978924209 /nfs/dbraw/zinc/92/42/09/978924209.db2.gz WNMANTAZEVSMMS-GHMZBOCLSA-N 1 2 219.288 1.218 20 30 BDEDLO CCOC(=O)c1cc(C[NH+]2CC(CC#N)C2)c[nH]1 ZINC001234925150 978929737 /nfs/dbraw/zinc/92/97/37/978929737.db2.gz SVUHWVLNEOBKDM-UHFFFAOYSA-N 1 2 247.298 1.537 20 30 BDEDLO Cc1ccc(-n2cnc(C#N)c2N)c(C)[nH+]1 ZINC001203366425 979015692 /nfs/dbraw/zinc/01/56/92/979015692.db2.gz ACKWKBLSOFMHBI-UHFFFAOYSA-N 1 2 213.244 1.338 20 30 BDEDLO C=CC[N@@H+](C)Cc1cc(OC)ncc1F ZINC001235326290 979024893 /nfs/dbraw/zinc/02/48/93/979024893.db2.gz KSTPYMQRCZZEOM-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO C=CC[N@H+](C)Cc1cc(OC)ncc1F ZINC001235326290 979024899 /nfs/dbraw/zinc/02/48/99/979024899.db2.gz KSTPYMQRCZZEOM-UHFFFAOYSA-N 1 2 210.252 1.847 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccncc2F)CC1 ZINC001181284507 979031706 /nfs/dbraw/zinc/03/17/06/979031706.db2.gz BRYSUZAYNUCCJU-UHFFFAOYSA-N 1 2 205.236 1.614 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C(=O)OCC ZINC001181453775 979105293 /nfs/dbraw/zinc/10/52/93/979105293.db2.gz BUNOHSDUDVBWAR-NOOOWODRSA-N 1 2 239.315 1.119 20 30 BDEDLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)CC#N ZINC001340810433 979117633 /nfs/dbraw/zinc/11/76/33/979117633.db2.gz JYPMKXLDNXLKJN-QMMMGPOBSA-N 1 2 217.272 1.609 20 30 BDEDLO CCn1c[nH+]cc1CN1CC[C@@H](C#N)C1 ZINC001237592112 979948523 /nfs/dbraw/zinc/94/85/23/979948523.db2.gz BYTABKUWHNNIEL-JTQLQIEISA-N 1 2 204.277 1.248 20 30 BDEDLO C#Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC001188719553 980698411 /nfs/dbraw/zinc/69/84/11/980698411.db2.gz CKWBFQJOFUVSKR-UHFFFAOYSA-N 1 2 239.278 1.294 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)CCc1[nH+]ccn1C ZINC001346392345 980826215 /nfs/dbraw/zinc/82/62/15/980826215.db2.gz WCWQHPLUDKVKDQ-LLVKDONJSA-N 1 2 248.330 1.407 20 30 BDEDLO C#C[C@H](C)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190107969 980847439 /nfs/dbraw/zinc/84/74/39/980847439.db2.gz WNFSCDGSVRQQMD-NSHDSACASA-N 1 2 239.278 1.624 20 30 BDEDLO C[NH+]1CCN(C(=O)c2cccc(C#N)c2F)CC1 ZINC001190525415 980880147 /nfs/dbraw/zinc/88/01/47/980880147.db2.gz OLUMMBBADAIVGJ-UHFFFAOYSA-N 1 2 247.273 1.085 20 30 BDEDLO Cn1cc[nH+]c1CCC(=O)NCC(C)(C)C#N ZINC001347126810 980980793 /nfs/dbraw/zinc/98/07/93/980980793.db2.gz AWEOPDQOMGGOGN-UHFFFAOYSA-N 1 2 234.303 1.019 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001347316147 981046079 /nfs/dbraw/zinc/04/60/79/981046079.db2.gz CZMGSAGAOUNUMI-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001347316147 981046087 /nfs/dbraw/zinc/04/60/87/981046087.db2.gz CZMGSAGAOUNUMI-VXGBXAGGSA-N 1 2 240.347 1.178 20 30 BDEDLO N#Cc1nccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240215485 981164087 /nfs/dbraw/zinc/16/40/87/981164087.db2.gz SMUDYNPYSPQQNL-UHFFFAOYSA-N 1 2 221.223 1.663 20 30 BDEDLO C#Cc1ccc(NCC[N@H+]2CCOC[C@@H]2C)nc1 ZINC001347981375 981233764 /nfs/dbraw/zinc/23/37/64/981233764.db2.gz RGEWDCQVHMOEOX-LBPRGKRZSA-N 1 2 245.326 1.196 20 30 BDEDLO C#Cc1ccc(NCC[N@@H+]2CCOC[C@@H]2C)nc1 ZINC001347981375 981233768 /nfs/dbraw/zinc/23/37/68/981233768.db2.gz RGEWDCQVHMOEOX-LBPRGKRZSA-N 1 2 245.326 1.196 20 30 BDEDLO N#CCc1cncc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497728 981417580 /nfs/dbraw/zinc/41/75/80/981417580.db2.gz XPOODRAQFDOUFH-UHFFFAOYSA-N 1 2 235.250 1.857 20 30 BDEDLO N#C[C@@H](SCC[NH+]1CCOCC1)C1CC1 ZINC001351771747 982381466 /nfs/dbraw/zinc/38/14/66/982381466.db2.gz POVHPAVKPDCHNT-LLVKDONJSA-N 1 2 226.345 1.354 20 30 BDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cc(C#N)cnn1 ZINC001241240354 982385434 /nfs/dbraw/zinc/38/54/34/982385434.db2.gz NDSVCTNCYWRBNG-UHFFFAOYSA-N 1 2 239.282 1.785 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1csc(-c2nn[nH]n2)c1 ZINC001589787614 982881294 /nfs/dbraw/zinc/88/12/94/982881294.db2.gz MJUFLXODBGJEPN-SSDOTTSWSA-N 1 2 248.315 1.320 20 30 BDEDLO C#Cc1ccc(N(C)CCCn2cc[nH+]c2)nc1 ZINC001354131596 983170171 /nfs/dbraw/zinc/17/01/71/983170171.db2.gz INXICVCMOCGLDL-UHFFFAOYSA-N 1 2 240.310 1.786 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1ncncc1C#N ZINC001242072870 983311330 /nfs/dbraw/zinc/31/13/30/983311330.db2.gz SGVWPHKDQZQIQX-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1cnc(C#N)c(C)n1 ZINC001242078815 983328839 /nfs/dbraw/zinc/32/88/39/983328839.db2.gz RULTZVOOPCPKOA-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCn2cncc21 ZINC001357211165 983674417 /nfs/dbraw/zinc/67/44/17/983674417.db2.gz SVMQDJHVOATXKB-MNOVXSKESA-N 1 2 229.287 1.361 20 30 BDEDLO C=C[C@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC001588663266 983793948 /nfs/dbraw/zinc/79/39/48/983793948.db2.gz LJLHFZUJVXPSOL-LLVKDONJSA-N 1 2 235.287 1.228 20 30 BDEDLO C=CCNC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001202574407 984076948 /nfs/dbraw/zinc/07/69/48/984076948.db2.gz PGWHODRVNOWXNL-UHFFFAOYSA-N 1 2 244.298 1.628 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001253566372 984227990 /nfs/dbraw/zinc/22/79/90/984227990.db2.gz YVCXXAVKLUEZDP-NWDGAFQWSA-N 1 2 241.331 1.245 20 30 BDEDLO C#Cc1cccc(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001274879169 984397005 /nfs/dbraw/zinc/39/70/05/984397005.db2.gz HUOQAOMZMRRGFV-UHFFFAOYSA-N 1 2 240.306 1.198 20 30 BDEDLO C#Cc1cccc(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001274879169 984397011 /nfs/dbraw/zinc/39/70/11/984397011.db2.gz HUOQAOMZMRRGFV-UHFFFAOYSA-N 1 2 240.306 1.198 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C)C1 ZINC000949614101 985452635 /nfs/dbraw/zinc/45/26/35/985452635.db2.gz QZKCJEXNAKSSNS-DGCLKSJQSA-N 1 2 236.359 1.751 20 30 BDEDLO COCC#CCN1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001460765759 985888319 /nfs/dbraw/zinc/88/83/19/985888319.db2.gz OLBCTODAYRYQEN-ZDUSSCGKSA-N 1 2 247.342 1.813 20 30 BDEDLO C=C[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001253571903 986090979 /nfs/dbraw/zinc/09/09/79/986090979.db2.gz KNTKAFPXQZPFHN-WPRPVWTQSA-N 1 2 208.261 1.094 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H](CC)COC)C(=O)OCC ZINC001462250139 986325813 /nfs/dbraw/zinc/32/58/13/986325813.db2.gz QZVUVBWFIWKSKZ-NEPJUHHUSA-N 1 2 243.347 1.899 20 30 BDEDLO C#CC1(O)C[NH+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC001462638151 986475541 /nfs/dbraw/zinc/47/55/41/986475541.db2.gz QLWUGNNCINIDDE-CYBMUJFWSA-N 1 2 229.323 1.778 20 30 BDEDLO Cc1cc(-c2cnc(CC#N)nc2)c[nH+]c1N ZINC001245536387 986915485 /nfs/dbraw/zinc/91/54/85/986915485.db2.gz JOTKGAGDKOHJGA-UHFFFAOYSA-N 1 2 225.255 1.495 20 30 BDEDLO CO[C@H](C(C)=[NH+]n1cnnc1)c1ccccc1 ZINC000782097672 987302729 /nfs/dbraw/zinc/30/27/29/987302729.db2.gz LZTHSUQZXWWCJS-GFCCVEGCSA-N 1 2 230.271 1.890 20 30 BDEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)OC(C)C)C1 ZINC001116541966 987622041 /nfs/dbraw/zinc/62/20/41/987622041.db2.gz NTLARWDWFOOWAG-LLVKDONJSA-N 1 2 227.304 1.215 20 30 BDEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)OC(C)C)C1 ZINC001116541966 987622045 /nfs/dbraw/zinc/62/20/45/987622045.db2.gz NTLARWDWFOOWAG-LLVKDONJSA-N 1 2 227.304 1.215 20 30 BDEDLO Cc1ncc(C[NH2+]CC2(C#N)CCOCC2)o1 ZINC001474297650 987678354 /nfs/dbraw/zinc/67/83/54/987678354.db2.gz FXKWZWVCRIIIHB-UHFFFAOYSA-N 1 2 235.287 1.393 20 30 BDEDLO CCCn1c[nH+]cc1CN1CC[C@@](F)(C#N)C1 ZINC001474445140 987724425 /nfs/dbraw/zinc/72/44/25/987724425.db2.gz WOPHRSQZDCXBDY-GFCCVEGCSA-N 1 2 236.294 1.731 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](CC)OC)CC1 ZINC001480340635 987964977 /nfs/dbraw/zinc/96/49/77/987964977.db2.gz JUQVHIFQOVSTRS-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001323292485 988488259 /nfs/dbraw/zinc/48/82/59/988488259.db2.gz FLSZNYUOZTYLHB-LBPRGKRZSA-N 1 2 232.327 1.166 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001323292485 988488267 /nfs/dbraw/zinc/48/82/67/988488267.db2.gz FLSZNYUOZTYLHB-LBPRGKRZSA-N 1 2 232.327 1.166 20 30 BDEDLO CC1(C#N)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001323308654 988491966 /nfs/dbraw/zinc/49/19/66/988491966.db2.gz RWFJRJBQCFKZDJ-UHFFFAOYSA-N 1 2 246.314 1.495 20 30 BDEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001323392383 988519083 /nfs/dbraw/zinc/51/90/83/988519083.db2.gz OPHRCBJVQLPHFN-SNVBAGLBSA-N 1 2 219.288 1.621 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001499011652 988524763 /nfs/dbraw/zinc/52/47/63/988524763.db2.gz BJGMBNRFRFALSL-LLVKDONJSA-N 1 2 238.306 1.092 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001499011652 988524772 /nfs/dbraw/zinc/52/47/72/988524772.db2.gz BJGMBNRFRFALSL-LLVKDONJSA-N 1 2 238.306 1.092 20 30 BDEDLO N#CC1(C[N@@H+]2CCNC(=O)CC23CCC3)CC1 ZINC001119268386 988873643 /nfs/dbraw/zinc/87/36/43/988873643.db2.gz GOGZLCIRSVMNDP-UHFFFAOYSA-N 1 2 233.315 1.035 20 30 BDEDLO N#CC1(C[N@H+]2CCNC(=O)CC23CCC3)CC1 ZINC001119268386 988873646 /nfs/dbraw/zinc/87/36/46/988873646.db2.gz GOGZLCIRSVMNDP-UHFFFAOYSA-N 1 2 233.315 1.035 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ocnc1C)[C@H]1CCCO1 ZINC001119445911 989080567 /nfs/dbraw/zinc/08/05/67/989080567.db2.gz RLPKGFQYHQBDEE-WDEREUQCSA-N 1 2 220.272 1.253 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OCC ZINC001326447286 989559856 /nfs/dbraw/zinc/55/98/56/989559856.db2.gz SRXHEGXHDDBLDJ-DCAQKATOSA-N 1 2 243.372 1.835 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)OC(C)C ZINC001326625086 989632053 /nfs/dbraw/zinc/63/20/53/989632053.db2.gz XXHWZFUHKPYSJT-NSHDSACASA-N 1 2 211.305 1.979 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)OC(C)C ZINC001326625086 989632073 /nfs/dbraw/zinc/63/20/73/989632073.db2.gz XXHWZFUHKPYSJT-NSHDSACASA-N 1 2 211.305 1.979 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)NC1CCCC1 ZINC001120556058 989729128 /nfs/dbraw/zinc/72/91/28/989729128.db2.gz MITLVOIOICEEJM-NSHDSACASA-N 1 2 248.330 1.078 20 30 BDEDLO C=C(CC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001529017587 990326002 /nfs/dbraw/zinc/32/60/02/990326002.db2.gz HDPVIAXVEUEIPQ-LBPRGKRZSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC001258291977 991228791 /nfs/dbraw/zinc/22/87/91/991228791.db2.gz MBTPKXYJUDPZAK-UHFFFAOYSA-N 1 2 232.327 1.120 20 30 BDEDLO C=CC[C@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001139490186 991256827 /nfs/dbraw/zinc/25/68/27/991256827.db2.gz QCEWXZLLLPACEC-SNVBAGLBSA-N 1 2 245.282 1.230 20 30 BDEDLO CC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139526997 991262544 /nfs/dbraw/zinc/26/25/44/991262544.db2.gz RQEAVZHWSKKPJV-UHFFFAOYSA-N 1 2 220.247 1.718 20 30 BDEDLO CC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139526997 991262556 /nfs/dbraw/zinc/26/25/56/991262556.db2.gz RQEAVZHWSKKPJV-UHFFFAOYSA-N 1 2 220.247 1.718 20 30 BDEDLO CCN(Cc1cccc(N(C)C)[nH+]1)[C@H](C)C#N ZINC001560024678 991361056 /nfs/dbraw/zinc/36/10/56/991361056.db2.gz QAXQTWIWADWSSU-LLVKDONJSA-N 1 2 232.331 1.882 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC001139770298 991365381 /nfs/dbraw/zinc/36/53/81/991365381.db2.gz LEXPTIBUHYYPCR-UHFFFAOYSA-N 1 2 249.314 1.018 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCC3(C2)OCCO3)cn1 ZINC001139770298 991365387 /nfs/dbraw/zinc/36/53/87/991365387.db2.gz LEXPTIBUHYYPCR-UHFFFAOYSA-N 1 2 249.314 1.018 20 30 BDEDLO CC1(C)CC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001258600533 991500739 /nfs/dbraw/zinc/50/07/39/991500739.db2.gz LSEPAKIDGWKNSW-GHMZBOCLSA-N 1 2 207.321 1.362 20 30 BDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)n1cc[nH+]c1 ZINC001318091654 991620882 /nfs/dbraw/zinc/62/08/82/991620882.db2.gz RYQNFSAYKIFETN-VIFPVBQESA-N 1 2 218.260 1.007 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318146774 991626178 /nfs/dbraw/zinc/62/61/78/991626178.db2.gz WCVDMXOBYKSXIK-GXSJLCMTSA-N 1 2 220.276 1.253 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001258716603 991642887 /nfs/dbraw/zinc/64/28/87/991642887.db2.gz CFQKMZGPAVBPOK-ZJUUUORDSA-N 1 2 231.361 1.792 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccnn1-c1ccccc1 ZINC001140527475 991662585 /nfs/dbraw/zinc/66/25/85/991662585.db2.gz SNEWEUXRMYEHLQ-UHFFFAOYSA-N 1 2 225.295 1.937 20 30 BDEDLO C#CC[N@H+](C)Cc1ccnn1-c1ccccc1 ZINC001140527475 991662587 /nfs/dbraw/zinc/66/25/87/991662587.db2.gz SNEWEUXRMYEHLQ-UHFFFAOYSA-N 1 2 225.295 1.937 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001565826751 991811568 /nfs/dbraw/zinc/81/15/68/991811568.db2.gz RTLZGRPJPMXEOF-CYBMUJFWSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001565826751 991811575 /nfs/dbraw/zinc/81/15/75/991811575.db2.gz RTLZGRPJPMXEOF-CYBMUJFWSA-N 1 2 248.370 1.733 20 30 BDEDLO C#CC[N@H+](CC1CC1)Cn1cc[nH]c1=S ZINC001319457421 991872387 /nfs/dbraw/zinc/87/23/87/991872387.db2.gz OTQRVKMXHUENSR-UHFFFAOYSA-N 1 2 221.329 1.475 20 30 BDEDLO C#CC[N@@H+](CC1CC1)Cn1cc[nH]c1=S ZINC001319457421 991872391 /nfs/dbraw/zinc/87/23/91/991872391.db2.gz OTQRVKMXHUENSR-UHFFFAOYSA-N 1 2 221.329 1.475 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001566756435 991874216 /nfs/dbraw/zinc/87/42/16/991874216.db2.gz BQJGVHUNQNQWDG-ZDUSSCGKSA-N 1 2 246.314 1.413 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1nc(C)cs1 ZINC001319552459 991893557 /nfs/dbraw/zinc/89/35/57/991893557.db2.gz LDHRTJAPVLXJPF-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1nc(C)cs1 ZINC001319552459 991893558 /nfs/dbraw/zinc/89/35/58/991893558.db2.gz LDHRTJAPVLXJPF-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO N#CCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319626316 991912150 /nfs/dbraw/zinc/91/21/50/991912150.db2.gz AUQVOZHLEYRICD-LLVKDONJSA-N 1 2 246.314 1.256 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CC[C@H](C)OC)C1 ZINC001567790146 992095551 /nfs/dbraw/zinc/09/55/51/992095551.db2.gz GBSIXPDMGWVHIN-NSHDSACASA-N 1 2 240.347 1.178 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1csc(C)n1 ZINC001320282110 992154712 /nfs/dbraw/zinc/15/47/12/992154712.db2.gz OYFPDQSYOKXPNZ-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1csc(C)n1 ZINC001320282110 992154720 /nfs/dbraw/zinc/15/47/20/992154720.db2.gz OYFPDQSYOKXPNZ-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001320547003 992241085 /nfs/dbraw/zinc/24/10/85/992241085.db2.gz DGPJIFIBUYBADR-NSHDSACASA-N 1 2 222.288 1.626 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001320547003 992241097 /nfs/dbraw/zinc/24/10/97/992241097.db2.gz DGPJIFIBUYBADR-NSHDSACASA-N 1 2 222.288 1.626 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(C)=O ZINC001569101801 992305142 /nfs/dbraw/zinc/30/51/42/992305142.db2.gz FLTWSZLYGRMQKG-MRVPVSSYSA-N 1 2 204.701 1.195 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(C)=O ZINC001569101801 992305163 /nfs/dbraw/zinc/30/51/63/992305163.db2.gz FLTWSZLYGRMQKG-MRVPVSSYSA-N 1 2 204.701 1.195 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(C)n[nH]1 ZINC001320708709 992330193 /nfs/dbraw/zinc/33/01/93/992330193.db2.gz ORTXFWPGNYVZHW-UHFFFAOYSA-N 1 2 209.293 1.353 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cc(C)n[nH]1 ZINC001320708709 992330202 /nfs/dbraw/zinc/33/02/02/992330202.db2.gz ORTXFWPGNYVZHW-UHFFFAOYSA-N 1 2 209.293 1.353 20 30 BDEDLO C[C@@H](C(=O)NCC1(CC#N)CC1)n1cc[nH+]c1 ZINC001321115443 992461215 /nfs/dbraw/zinc/46/12/15/992461215.db2.gz MOWZEBWFKXXOBH-JTQLQIEISA-N 1 2 232.287 1.254 20 30 BDEDLO Cc1nnn([NH+]=CC2CCSCC2)c1C ZINC001262037266 992624035 /nfs/dbraw/zinc/62/40/35/992624035.db2.gz RCVJQDUBHRXQBK-UHFFFAOYSA-N 1 2 224.333 1.872 20 30 BDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1cscn1 ZINC000379584824 993257654 /nfs/dbraw/zinc/25/76/54/993257654.db2.gz OTOGDCBXGHVBIW-IUCAKERBSA-N 1 2 212.318 1.995 20 30 BDEDLO C=C(CC)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001263700298 993466668 /nfs/dbraw/zinc/46/66/68/993466668.db2.gz SQWOYDRWLBGCCN-UHFFFAOYSA-N 1 2 245.326 1.696 20 30 BDEDLO C[C@@H](O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000336712624 398135449 /nfs/dbraw/zinc/13/54/49/398135449.db2.gz OBRXFJHSCNDXRP-GFCCVEGCSA-N 1 2 233.315 1.568 20 30 BDEDLO C[C@@H](O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000336712624 398135451 /nfs/dbraw/zinc/13/54/51/398135451.db2.gz OBRXFJHSCNDXRP-GFCCVEGCSA-N 1 2 233.315 1.568 20 30 BDEDLO Cc1cn2ccc(C(=O)N(C)CC#N)cc2[nH+]1 ZINC000602087278 349434395 /nfs/dbraw/zinc/43/43/95/349434395.db2.gz VOSNECIFZJYOHG-UHFFFAOYSA-N 1 2 228.255 1.238 20 30 BDEDLO CCc1c[nH]c(CC(=O)N[C@H](C#N)CC(C)C)[nH+]1 ZINC000602089479 349435727 /nfs/dbraw/zinc/43/57/27/349435727.db2.gz IGXNGDQBXDHNBF-NSHDSACASA-N 1 2 248.330 1.569 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161727220 349490563 /nfs/dbraw/zinc/49/05/63/349490563.db2.gz ZUZIWVFKYFQAJM-QWRGUYRKSA-N 1 2 233.315 1.526 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649899069 398169494 /nfs/dbraw/zinc/16/94/94/398169494.db2.gz RYUQVNDDMLXHIW-LBPRGKRZSA-N 1 2 247.342 1.513 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649899069 398169496 /nfs/dbraw/zinc/16/94/96/398169496.db2.gz RYUQVNDDMLXHIW-LBPRGKRZSA-N 1 2 247.342 1.513 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000339758100 398165618 /nfs/dbraw/zinc/16/56/18/398165618.db2.gz TUMXTOUNXCBBBW-STQMWFEESA-N 1 2 236.359 1.446 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000339758100 398165623 /nfs/dbraw/zinc/16/56/23/398165623.db2.gz TUMXTOUNXCBBBW-STQMWFEESA-N 1 2 236.359 1.446 20 30 BDEDLO C=CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649941806 398192463 /nfs/dbraw/zinc/19/24/63/398192463.db2.gz LNXCJGULPCGGNW-JTQLQIEISA-N 1 2 207.277 1.479 20 30 BDEDLO C=CC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426218445 398216042 /nfs/dbraw/zinc/21/60/42/398216042.db2.gz XGYIIVHABOINKA-NSHDSACASA-N 1 2 210.321 1.361 20 30 BDEDLO C=CC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426218445 398216046 /nfs/dbraw/zinc/21/60/46/398216046.db2.gz XGYIIVHABOINKA-NSHDSACASA-N 1 2 210.321 1.361 20 30 BDEDLO N#Cc1cccc(C[NH+]2CCSCC2)n1 ZINC000602437267 349524743 /nfs/dbraw/zinc/52/47/43/349524743.db2.gz GMIMUDMUYJIBLT-UHFFFAOYSA-N 1 2 219.313 1.502 20 30 BDEDLO COc1ncc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000331324508 136226363 /nfs/dbraw/zinc/22/63/63/136226363.db2.gz FXAGEFHVGVGZLF-PWSUYJOCSA-N 1 2 246.314 1.576 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)no2)C1=O ZINC000281464892 398239415 /nfs/dbraw/zinc/23/94/15/398239415.db2.gz VOZMSIPJHVQANX-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)no2)C1=O ZINC000281464892 398239420 /nfs/dbraw/zinc/23/94/20/398239420.db2.gz VOZMSIPJHVQANX-GFCCVEGCSA-N 1 2 249.314 1.202 20 30 BDEDLO C=C(Br)C[N@@H+](C)CC#CC ZINC000292981362 136229691 /nfs/dbraw/zinc/22/96/91/136229691.db2.gz BHUBARLLZQYQDB-UHFFFAOYSA-N 1 2 202.095 1.850 20 30 BDEDLO C=C(Br)C[N@H+](C)CC#CC ZINC000292981362 136229692 /nfs/dbraw/zinc/22/96/92/136229692.db2.gz BHUBARLLZQYQDB-UHFFFAOYSA-N 1 2 202.095 1.850 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(C)cc1 ZINC000293269539 398257994 /nfs/dbraw/zinc/25/79/94/398257994.db2.gz UVORNKLKNXFLFG-UHFFFAOYSA-N 1 2 244.338 1.566 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(C)cc1 ZINC000293269539 398257998 /nfs/dbraw/zinc/25/79/98/398257998.db2.gz UVORNKLKNXFLFG-UHFFFAOYSA-N 1 2 244.338 1.566 20 30 BDEDLO CCOC(=O)c1ccc(C[N@H+](C)[C@@H](C)CC#N)[nH]1 ZINC000602461951 349556691 /nfs/dbraw/zinc/55/66/91/349556691.db2.gz JFWDWNAJZVJFIY-JTQLQIEISA-N 1 2 249.314 1.925 20 30 BDEDLO CCOC(=O)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)[nH]1 ZINC000602461951 349556695 /nfs/dbraw/zinc/55/66/95/349556695.db2.gz JFWDWNAJZVJFIY-JTQLQIEISA-N 1 2 249.314 1.925 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)CC#N)[nH]c1C ZINC000602462517 349556718 /nfs/dbraw/zinc/55/67/18/349556718.db2.gz NHFCDOBHESOJHC-SECBINFHSA-N 1 2 249.314 1.844 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)CC#N)[nH]c1C ZINC000602462517 349556722 /nfs/dbraw/zinc/55/67/22/349556722.db2.gz NHFCDOBHESOJHC-SECBINFHSA-N 1 2 249.314 1.844 20 30 BDEDLO C[C@@H](CC#N)N(C)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602463750 349557376 /nfs/dbraw/zinc/55/73/76/349557376.db2.gz VKGPGRVSFISNBB-JTQLQIEISA-N 1 2 247.298 1.587 20 30 BDEDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)CC#N)n1C ZINC000602462995 349557387 /nfs/dbraw/zinc/55/73/87/349557387.db2.gz QRUILXROBLYASP-SNVBAGLBSA-N 1 2 249.314 1.546 20 30 BDEDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)CC#N)n1C ZINC000602462995 349557392 /nfs/dbraw/zinc/55/73/92/349557392.db2.gz QRUILXROBLYASP-SNVBAGLBSA-N 1 2 249.314 1.546 20 30 BDEDLO Cc1ccc(C#N)c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000043395745 178365946 /nfs/dbraw/zinc/36/59/46/178365946.db2.gz UMTTZRZLEKTRML-LLVKDONJSA-N 1 2 241.298 1.959 20 30 BDEDLO Cc1[nH]c(CN2CC(C)(C#N)C2)[nH+]c1C ZINC000600174791 342695958 /nfs/dbraw/zinc/69/59/58/342695958.db2.gz XSAFCXHCLGWCRB-UHFFFAOYSA-N 1 2 204.277 1.372 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042518272 342778090 /nfs/dbraw/zinc/77/80/90/342778090.db2.gz HSIXKDYURBJQJL-VXGBXAGGSA-N 1 2 237.347 1.479 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042518272 342778091 /nfs/dbraw/zinc/77/80/91/342778091.db2.gz HSIXKDYURBJQJL-VXGBXAGGSA-N 1 2 237.347 1.479 20 30 BDEDLO CC(C)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042607471 342778565 /nfs/dbraw/zinc/77/85/65/342778565.db2.gz LXPIFMGULIYLQO-MNOVXSKESA-N 1 2 223.320 1.135 20 30 BDEDLO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042607471 342778566 /nfs/dbraw/zinc/77/85/66/342778566.db2.gz LXPIFMGULIYLQO-MNOVXSKESA-N 1 2 223.320 1.135 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)C(=O)OC ZINC000309663637 342779270 /nfs/dbraw/zinc/77/92/70/342779270.db2.gz SJCGKIHBWIRMIV-AXFHLTTASA-N 1 2 227.304 1.119 20 30 BDEDLO C[C@]1(O)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356127307 398289073 /nfs/dbraw/zinc/28/90/73/398289073.db2.gz NRJORLHXZBGFBD-NSHDSACASA-N 1 2 237.328 1.362 20 30 BDEDLO C[C@]1(O)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356127307 398289075 /nfs/dbraw/zinc/28/90/75/398289075.db2.gz NRJORLHXZBGFBD-NSHDSACASA-N 1 2 237.328 1.362 20 30 BDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361552965 398294009 /nfs/dbraw/zinc/29/40/09/398294009.db2.gz NSHOVCCMSCYOKP-UHFFFAOYSA-N 1 2 249.314 1.280 20 30 BDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361552965 398294014 /nfs/dbraw/zinc/29/40/14/398294014.db2.gz NSHOVCCMSCYOKP-UHFFFAOYSA-N 1 2 249.314 1.280 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000602607254 349629737 /nfs/dbraw/zinc/62/97/37/349629737.db2.gz HXKLOVCNFSSBJU-JTQLQIEISA-N 1 2 232.331 1.548 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351256000 136244209 /nfs/dbraw/zinc/24/42/09/136244209.db2.gz QRWWVFIUBOKDJD-RYUDHWBXSA-N 1 2 240.347 1.034 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351256000 136244210 /nfs/dbraw/zinc/24/42/10/136244210.db2.gz QRWWVFIUBOKDJD-RYUDHWBXSA-N 1 2 240.347 1.034 20 30 BDEDLO COc1cccc(OC)c1C[NH2+]C[C@H](C)C#N ZINC000602608619 349631889 /nfs/dbraw/zinc/63/18/89/349631889.db2.gz UHLAMFBOSDHLSJ-SNVBAGLBSA-N 1 2 234.299 1.953 20 30 BDEDLO C=C1CC[NH+](Cc2cncc(OC)n2)CC1 ZINC000625154913 342895750 /nfs/dbraw/zinc/89/57/50/342895750.db2.gz MAQPHJGTVDRSNH-UHFFFAOYSA-N 1 2 219.288 1.637 20 30 BDEDLO N#CC1(CC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000590247644 346882433 /nfs/dbraw/zinc/88/24/33/346882433.db2.gz DNBPWSDNGSWFER-UHFFFAOYSA-N 1 2 246.314 1.473 20 30 BDEDLO CO[C@](C)(C[N@@H+]1CC[C@](F)(C#N)C1)C1CC1 ZINC000602629513 349665098 /nfs/dbraw/zinc/66/50/98/349665098.db2.gz KPUCYORMYKCXQM-NEPJUHHUSA-N 1 2 226.295 1.739 20 30 BDEDLO CO[C@](C)(C[N@H+]1CC[C@](F)(C#N)C1)C1CC1 ZINC000602629513 349665100 /nfs/dbraw/zinc/66/51/00/349665100.db2.gz KPUCYORMYKCXQM-NEPJUHHUSA-N 1 2 226.295 1.739 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000602629994 349665158 /nfs/dbraw/zinc/66/51/58/349665158.db2.gz OAJYMQZOXIZKET-GHMZBOCLSA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000602629994 349665159 /nfs/dbraw/zinc/66/51/59/349665159.db2.gz OAJYMQZOXIZKET-GHMZBOCLSA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@H](CCC#N)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000602629995 349665284 /nfs/dbraw/zinc/66/52/84/349665284.db2.gz OAJYMQZOXIZKET-MNOVXSKESA-N 1 2 209.268 1.864 20 30 BDEDLO C[C@H](CCC#N)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000602629995 349665286 /nfs/dbraw/zinc/66/52/86/349665286.db2.gz OAJYMQZOXIZKET-MNOVXSKESA-N 1 2 209.268 1.864 20 30 BDEDLO CCS(=O)(=O)C1C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602683193 349675454 /nfs/dbraw/zinc/67/54/54/349675454.db2.gz QHNULMICXHUTGF-JTQLQIEISA-N 1 2 244.360 1.045 20 30 BDEDLO CC1(C#N)C[NH+](CC2CCSCC2)C1 ZINC000602688898 349679252 /nfs/dbraw/zinc/67/92/52/349679252.db2.gz BGQLWYBCRDHESK-UHFFFAOYSA-N 1 2 210.346 1.975 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ccnn1CCC ZINC000668055099 488190096 /nfs/dbraw/zinc/19/00/96/488190096.db2.gz RJNNKNSLGYPPPU-UHFFFAOYSA-N 1 2 237.347 1.928 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ccnn1CCC ZINC000668055099 488190104 /nfs/dbraw/zinc/19/01/04/488190104.db2.gz RJNNKNSLGYPPPU-UHFFFAOYSA-N 1 2 237.347 1.928 20 30 BDEDLO CCC#C[C@H](C)[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000616820409 346901754 /nfs/dbraw/zinc/90/17/54/346901754.db2.gz QQYQSTQKWXBAPF-QJPTWQEYSA-N 1 2 227.373 1.630 20 30 BDEDLO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000602712033 349704060 /nfs/dbraw/zinc/70/40/60/349704060.db2.gz WXWRAOGZYLHSHO-VHSXEESVSA-N 1 2 232.274 1.628 20 30 BDEDLO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000602712033 349704064 /nfs/dbraw/zinc/70/40/64/349704064.db2.gz WXWRAOGZYLHSHO-VHSXEESVSA-N 1 2 232.274 1.628 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)NCCCC#N ZINC000492542491 529554216 /nfs/dbraw/zinc/55/42/16/529554216.db2.gz ZKHIQBHNMQJDGP-AATRIKPKSA-N 1 2 232.287 1.336 20 30 BDEDLO CCN(C#N)CC[N@H+](CC)C[C@H](C)C#N ZINC000602770559 349725156 /nfs/dbraw/zinc/72/51/56/349725156.db2.gz UCDYJXZZQALARD-LLVKDONJSA-N 1 2 208.309 1.271 20 30 BDEDLO CCN(C#N)CC[N@@H+](CC)C[C@H](C)C#N ZINC000602770559 349725158 /nfs/dbraw/zinc/72/51/58/349725158.db2.gz UCDYJXZZQALARD-LLVKDONJSA-N 1 2 208.309 1.271 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000602734991 349720077 /nfs/dbraw/zinc/72/00/77/349720077.db2.gz RMOKVIILMCATHY-GHMZBOCLSA-N 1 2 227.304 1.263 20 30 BDEDLO Cc1cn2c([nH+]1)CN(CC1(CC#N)CC1)CC2 ZINC000602805207 349743902 /nfs/dbraw/zinc/74/39/02/349743902.db2.gz MSHYPQUHSZTULS-UHFFFAOYSA-N 1 2 230.315 1.701 20 30 BDEDLO C[C@H]1CC[N@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000602818191 349759197 /nfs/dbraw/zinc/75/91/97/349759197.db2.gz CERKHYQUYRVFMM-ZBEGNZNMSA-N 1 2 240.372 1.523 20 30 BDEDLO C[C@H]1CC[N@@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000602818191 349759200 /nfs/dbraw/zinc/75/92/00/349759200.db2.gz CERKHYQUYRVFMM-ZBEGNZNMSA-N 1 2 240.372 1.523 20 30 BDEDLO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602860714 349772323 /nfs/dbraw/zinc/77/23/23/349772323.db2.gz DOVZEVOBNIFDRF-GFCCVEGCSA-N 1 2 245.326 1.503 20 30 BDEDLO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602864278 349796021 /nfs/dbraw/zinc/79/60/21/349796021.db2.gz QTXVDCVNSSSFFC-LBPRGKRZSA-N 1 2 245.326 1.503 20 30 BDEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC ZINC000363255209 136269130 /nfs/dbraw/zinc/26/91/30/136269130.db2.gz SWXUBSBAIYBELC-AWEZNQCLSA-N 1 2 242.322 1.183 20 30 BDEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC ZINC000363255209 136269131 /nfs/dbraw/zinc/26/91/31/136269131.db2.gz SWXUBSBAIYBELC-AWEZNQCLSA-N 1 2 242.322 1.183 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602865392 349796778 /nfs/dbraw/zinc/79/67/78/349796778.db2.gz XTOCFRGOYNDSPY-RYUDHWBXSA-N 1 2 237.347 1.691 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000079916261 343118896 /nfs/dbraw/zinc/11/88/96/343118896.db2.gz XDERILYNIBEVAZ-UHFFFAOYSA-N 1 2 206.293 1.232 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000079916261 343118898 /nfs/dbraw/zinc/11/88/98/343118898.db2.gz XDERILYNIBEVAZ-UHFFFAOYSA-N 1 2 206.293 1.232 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)CC)nn1 ZINC000640939886 362079541 /nfs/dbraw/zinc/07/95/41/362079541.db2.gz YMOCSZKZGZIODH-JTQLQIEISA-N 1 2 206.293 1.362 20 30 BDEDLO C[C@@H](C#N)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000344110296 136271471 /nfs/dbraw/zinc/27/14/71/136271471.db2.gz NHOYTHGYYXZOCV-QMMMGPOBSA-N 1 2 218.260 1.246 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000602868679 349800126 /nfs/dbraw/zinc/80/01/26/349800126.db2.gz KIZUQTQKQQDNCO-SNVBAGLBSA-N 1 2 249.289 1.334 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCC(C)(C)C ZINC000602870149 349801709 /nfs/dbraw/zinc/80/17/09/349801709.db2.gz LTJKHMBFFPQPQA-SECBINFHSA-N 1 2 211.309 1.040 20 30 BDEDLO CC#CC[N@H+](C)Cc1cn2cccnc2n1 ZINC000293084586 136289322 /nfs/dbraw/zinc/28/93/22/136289322.db2.gz JYMKSIJYQGKSCW-UHFFFAOYSA-N 1 2 214.272 1.184 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cn2cccnc2n1 ZINC000293084586 136289323 /nfs/dbraw/zinc/28/93/23/136289323.db2.gz JYMKSIJYQGKSCW-UHFFFAOYSA-N 1 2 214.272 1.184 20 30 BDEDLO Cc1nnc(C[NH+]2CCC(C)(C#N)CC2)[nH]1 ZINC000293316399 136289490 /nfs/dbraw/zinc/28/94/90/136289490.db2.gz VVLVDFKQCXAXFU-UHFFFAOYSA-N 1 2 219.292 1.239 20 30 BDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCNC1=O ZINC000298243225 343264963 /nfs/dbraw/zinc/26/49/63/343264963.db2.gz SHYBDIYLBVTLJF-CYBMUJFWSA-N 1 2 248.301 1.702 20 30 BDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCNC1=O ZINC000298243225 343264966 /nfs/dbraw/zinc/26/49/66/343264966.db2.gz SHYBDIYLBVTLJF-CYBMUJFWSA-N 1 2 248.301 1.702 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C)nn1 ZINC000336545852 136286429 /nfs/dbraw/zinc/28/64/29/136286429.db2.gz AKELZWRYCKOJGN-LLVKDONJSA-N 1 2 206.293 1.356 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nn1 ZINC000336545852 136286430 /nfs/dbraw/zinc/28/64/30/136286430.db2.gz AKELZWRYCKOJGN-LLVKDONJSA-N 1 2 206.293 1.356 20 30 BDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ncccc1C#N ZINC000609150140 343321608 /nfs/dbraw/zinc/32/16/08/343321608.db2.gz QMXAJYQQAFJZPQ-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@@H]1COCC[N@H+]1CCNc1ncccc1C#N ZINC000609150140 343321609 /nfs/dbraw/zinc/32/16/09/343321609.db2.gz QMXAJYQQAFJZPQ-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCCCC ZINC000299217613 343398491 /nfs/dbraw/zinc/39/84/91/343398491.db2.gz IBSFMQKADNPPTG-CYBMUJFWSA-N 1 2 234.343 1.250 20 30 BDEDLO C=CC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820546 136363532 /nfs/dbraw/zinc/36/35/32/136363532.db2.gz RUBRMJBQKHZSDM-HNNXBMFYSA-N 1 2 246.354 1.524 20 30 BDEDLO C=CC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820548 136363577 /nfs/dbraw/zinc/36/35/77/136363577.db2.gz RUBRMJBQKHZSDM-OAHLLOKOSA-N 1 2 246.354 1.524 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(C#N)c1 ZINC000070978861 343578048 /nfs/dbraw/zinc/57/80/48/343578048.db2.gz GJCGBBDDTVHNDF-UHFFFAOYSA-N 1 2 240.266 1.554 20 30 BDEDLO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nn1 ZINC000602981875 349833164 /nfs/dbraw/zinc/83/31/64/349833164.db2.gz KPIQHZBMTVABQV-PWSUYJOCSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nn1 ZINC000602981875 349833167 /nfs/dbraw/zinc/83/31/67/349833167.db2.gz KPIQHZBMTVABQV-PWSUYJOCSA-N 1 2 246.314 1.609 20 30 BDEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCNC1=O ZINC000602000750 343661864 /nfs/dbraw/zinc/66/18/64/343661864.db2.gz JZIVDJREAURCJV-LBPRGKRZSA-N 1 2 247.273 1.066 20 30 BDEDLO C=C(Cl)C[N@@H+](CCCC)CC(N)=O ZINC000048048387 343705831 /nfs/dbraw/zinc/70/58/31/343705831.db2.gz YISRFAUVRCMDIE-UHFFFAOYSA-N 1 2 204.701 1.326 20 30 BDEDLO C=C(Cl)C[N@H+](CCCC)CC(N)=O ZINC000048048387 343705833 /nfs/dbraw/zinc/70/58/33/343705833.db2.gz YISRFAUVRCMDIE-UHFFFAOYSA-N 1 2 204.701 1.326 20 30 BDEDLO C[N@H+](CC(=O)NCC1CCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976969 349841116 /nfs/dbraw/zinc/84/11/16/349841116.db2.gz VWFNMKHGCQMNPJ-OLZOCXBDSA-N 1 2 249.358 1.527 20 30 BDEDLO C[N@@H+](CC(=O)NCC1CCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976969 349841119 /nfs/dbraw/zinc/84/11/19/349841119.db2.gz VWFNMKHGCQMNPJ-OLZOCXBDSA-N 1 2 249.358 1.527 20 30 BDEDLO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976915 349841306 /nfs/dbraw/zinc/84/13/06/349841306.db2.gz VHVLVRNBBHSIQP-WDEREUQCSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976915 349841309 /nfs/dbraw/zinc/84/13/09/349841309.db2.gz VHVLVRNBBHSIQP-WDEREUQCSA-N 1 2 223.320 1.089 20 30 BDEDLO C[N@H+](CCn1ccccc1=O)[C@H]1CCC[C@@H]1C#N ZINC000602976716 349841316 /nfs/dbraw/zinc/84/13/16/349841316.db2.gz RPETYCWWWIRJTL-OLZOCXBDSA-N 1 2 245.326 1.472 20 30 BDEDLO C[N@@H+](CCn1ccccc1=O)[C@H]1CCC[C@@H]1C#N ZINC000602976716 349841320 /nfs/dbraw/zinc/84/13/20/349841320.db2.gz RPETYCWWWIRJTL-OLZOCXBDSA-N 1 2 245.326 1.472 20 30 BDEDLO C[N@H+](Cc1cc(=O)c(O)co1)[C@H]1CCC[C@H]1C#N ZINC000602977968 349841979 /nfs/dbraw/zinc/84/19/79/349841979.db2.gz JHRUXHQFDBFKSN-ONGXEEELSA-N 1 2 248.282 1.469 20 30 BDEDLO C[N@@H+](Cc1cc(=O)c(O)co1)[C@H]1CCC[C@H]1C#N ZINC000602977968 349841982 /nfs/dbraw/zinc/84/19/82/349841982.db2.gz JHRUXHQFDBFKSN-ONGXEEELSA-N 1 2 248.282 1.469 20 30 BDEDLO CC(C)n1cc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000179357847 346982047 /nfs/dbraw/zinc/98/20/47/346982047.db2.gz SGNJEMARHIKWLM-UHFFFAOYSA-N 1 2 247.346 1.105 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000625458675 343858913 /nfs/dbraw/zinc/85/89/13/343858913.db2.gz YPKYTNVMLJISCQ-MNOVXSKESA-N 1 2 249.314 1.770 20 30 BDEDLO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000157065548 343907002 /nfs/dbraw/zinc/90/70/02/343907002.db2.gz WDDARTGULQBOOW-ZJUUUORDSA-N 1 2 211.309 1.135 20 30 BDEDLO C=CCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106509456 347018988 /nfs/dbraw/zinc/01/89/88/347018988.db2.gz UAGNEVQXDUDVHE-SNVBAGLBSA-N 1 2 234.303 1.832 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625726004 344057986 /nfs/dbraw/zinc/05/79/86/344057986.db2.gz USPSFCZAHFRCAO-JTQLQIEISA-N 1 2 246.310 1.399 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625726004 344057988 /nfs/dbraw/zinc/05/79/88/344057988.db2.gz USPSFCZAHFRCAO-JTQLQIEISA-N 1 2 246.310 1.399 20 30 BDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC1(C#N)CC1 ZINC000408260316 344312724 /nfs/dbraw/zinc/31/27/24/344312724.db2.gz UIHQHYCVUZFJDE-UTUOFQBUSA-N 1 2 248.326 1.564 20 30 BDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC1(C#N)CC1 ZINC000408260316 344312725 /nfs/dbraw/zinc/31/27/25/344312725.db2.gz UIHQHYCVUZFJDE-UTUOFQBUSA-N 1 2 248.326 1.564 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C(=O)OC ZINC000600616001 344336997 /nfs/dbraw/zinc/33/69/97/344336997.db2.gz XOTICRKQZGVAPZ-LSCVPOLPSA-N 1 2 223.316 1.740 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000600615388 344337073 /nfs/dbraw/zinc/33/70/73/344337073.db2.gz OEEVYSUOECHKGB-ONGXEEELSA-N 1 2 221.304 1.032 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H](OC)C1CC1 ZINC000400148732 344373997 /nfs/dbraw/zinc/37/39/97/344373997.db2.gz CHCGFVSNWNUVKQ-GFCCVEGCSA-N 1 2 226.320 1.273 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H](OC)C1CC1 ZINC000400148732 344373999 /nfs/dbraw/zinc/37/39/99/344373999.db2.gz CHCGFVSNWNUVKQ-GFCCVEGCSA-N 1 2 226.320 1.273 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H]1C#N ZINC000600860398 344383700 /nfs/dbraw/zinc/38/37/00/344383700.db2.gz VUOOOTSEHGQIQB-MWLCHTKSSA-N 1 2 204.277 1.534 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H]1C#N ZINC000600860398 344383702 /nfs/dbraw/zinc/38/37/02/344383702.db2.gz VUOOOTSEHGQIQB-MWLCHTKSSA-N 1 2 204.277 1.534 20 30 BDEDLO C=C[C@H]([NH2+]CC1(COC)CCC1)C(=O)OC ZINC000381171506 344482221 /nfs/dbraw/zinc/48/22/21/344482221.db2.gz UGKOQCZMMXCFRU-JTQLQIEISA-N 1 2 227.304 1.120 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000381492243 344513054 /nfs/dbraw/zinc/51/30/54/344513054.db2.gz YLLGQBUEMDWXMN-BDAKNGLRSA-N 1 2 233.258 1.739 20 30 BDEDLO C=CCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152447803 344565791 /nfs/dbraw/zinc/56/57/91/344565791.db2.gz UXVNINKCQWLZIE-LBPRGKRZSA-N 1 2 245.326 1.743 20 30 BDEDLO C=CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000577756233 344596392 /nfs/dbraw/zinc/59/63/92/344596392.db2.gz VUYWOBJBDPSDIS-NSHDSACASA-N 1 2 245.326 1.623 20 30 BDEDLO CCOCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000181589717 347065398 /nfs/dbraw/zinc/06/53/98/347065398.db2.gz JSTKAFVQQUDXAL-UHFFFAOYSA-N 1 2 240.278 1.808 20 30 BDEDLO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC#N)CC2 ZINC000152765590 344688435 /nfs/dbraw/zinc/68/84/35/344688435.db2.gz MFWKCOUNSJPRBB-NWDGAFQWSA-N 1 2 238.331 1.152 20 30 BDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1ccc(F)cc1F ZINC000076185807 344799837 /nfs/dbraw/zinc/79/98/37/344799837.db2.gz LDAYAFXDPLTTEW-CQSZACIVSA-N 1 2 249.260 1.567 20 30 BDEDLO NC(COc1ccccc1)=[NH+]OCC1CC1 ZINC000123882183 345020535 /nfs/dbraw/zinc/02/05/35/345020535.db2.gz BQQATVSCJWNMHJ-UHFFFAOYSA-N 1 2 220.272 1.764 20 30 BDEDLO COc1cccc(C(N)=[NH+]OCC2CC2)c1 ZINC000124379085 345040720 /nfs/dbraw/zinc/04/07/20/345040720.db2.gz OFBUWDSODFYPMN-UHFFFAOYSA-N 1 2 220.272 1.742 20 30 BDEDLO C=CCC[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641623385 362555262 /nfs/dbraw/zinc/55/52/62/362555262.db2.gz HOOCKDGEIQNVFW-NSHDSACASA-N 1 2 222.288 1.313 20 30 BDEDLO Cc1cc(NCC2(CCO)CCC2)c(C#N)c[nH+]1 ZINC000425244427 192085726 /nfs/dbraw/zinc/08/57/26/192085726.db2.gz VFAPUOMOHYAQKB-UHFFFAOYSA-N 1 2 245.326 1.648 20 30 BDEDLO C=C(Br)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000306235785 345130172 /nfs/dbraw/zinc/13/01/72/345130172.db2.gz OLUPIQKQQXTUPF-QMMMGPOBSA-N 1 2 232.121 1.352 20 30 BDEDLO C=C(Br)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000306235785 345130175 /nfs/dbraw/zinc/13/01/75/345130175.db2.gz OLUPIQKQQXTUPF-QMMMGPOBSA-N 1 2 232.121 1.352 20 30 BDEDLO CC1(C#N)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603332265 349925574 /nfs/dbraw/zinc/92/55/74/349925574.db2.gz AUTLQSCGSHFJRX-UHFFFAOYSA-N 1 2 231.299 1.704 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccnc(C#N)c1 ZINC000070078903 345339115 /nfs/dbraw/zinc/33/91/15/345339115.db2.gz KZMXXBWFCYGUGB-UHFFFAOYSA-N 1 2 214.272 1.689 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccnc(C#N)c1 ZINC000070078903 345339118 /nfs/dbraw/zinc/33/91/18/345339118.db2.gz KZMXXBWFCYGUGB-UHFFFAOYSA-N 1 2 214.272 1.689 20 30 BDEDLO CCN(CC#N)Cc1c(C)[nH+]c2ccccn21 ZINC000158767725 345366257 /nfs/dbraw/zinc/36/62/57/345366257.db2.gz PTMQSXVZDJYULA-UHFFFAOYSA-N 1 2 228.299 1.988 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NCCCCn1cc[nH+]c1 ZINC000136230861 345489995 /nfs/dbraw/zinc/48/99/95/345489995.db2.gz OCHGEXCPCFXLQF-ZDUSSCGKSA-N 1 2 248.330 1.719 20 30 BDEDLO C=CC1CCN(C(=O)Cc2[nH]cc(CC)[nH+]2)CC1 ZINC000635547885 345584165 /nfs/dbraw/zinc/58/41/65/345584165.db2.gz KBGJTZHHJAWSLW-UHFFFAOYSA-N 1 2 247.342 1.939 20 30 BDEDLO Cc1nc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)cc[nH+]1 ZINC000603403086 349937830 /nfs/dbraw/zinc/93/78/30/349937830.db2.gz UQAGHKTZQQHOOJ-QWRGUYRKSA-N 1 2 245.330 1.208 20 30 BDEDLO C=CC(C)(C)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635988247 346140114 /nfs/dbraw/zinc/14/01/14/346140114.db2.gz OUXLTDJKSKCRSX-UHFFFAOYSA-N 1 2 235.331 1.843 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601125690 346151121 /nfs/dbraw/zinc/15/11/21/346151121.db2.gz SYWAFJOGKHZTAB-UHFFFAOYSA-N 1 2 241.294 1.834 20 30 BDEDLO C=C1CC(C)(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000631155130 346249191 /nfs/dbraw/zinc/24/91/91/346249191.db2.gz CTRWSTAKSIBPPI-UHFFFAOYSA-N 1 2 219.288 1.724 20 30 BDEDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C#N)ncn1 ZINC000382444918 346251928 /nfs/dbraw/zinc/25/19/28/346251928.db2.gz AQTYUGWREKVPEW-SECBINFHSA-N 1 2 228.259 1.045 20 30 BDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cncc(C#N)n1 ZINC000401234142 346502341 /nfs/dbraw/zinc/50/23/41/346502341.db2.gz PVMZMCSDKDWQKW-VIFPVBQESA-N 1 2 228.259 1.045 20 30 BDEDLO Cc1cc(NC(=O)C2(C#N)CC3(CC3)C2)cc[nH+]1 ZINC000601156727 346501482 /nfs/dbraw/zinc/50/14/82/346501482.db2.gz YFISPNGMOGXSID-UHFFFAOYSA-N 1 2 241.294 1.834 20 30 BDEDLO CCN(Cc1c[nH+]cn1C)C[C@H](C)C#N ZINC000177264260 346595702 /nfs/dbraw/zinc/59/57/02/346595702.db2.gz ZYAZTTPGONIHRX-SNVBAGLBSA-N 1 2 206.293 1.402 20 30 BDEDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C#N)ccn1 ZINC000587878103 346597538 /nfs/dbraw/zinc/59/75/38/346597538.db2.gz ZHVNZTAUSFVNSJ-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO C[C@H]1COCC[N@H+]1CCNc1cc(C#N)ccn1 ZINC000587878103 346597541 /nfs/dbraw/zinc/59/75/41/346597541.db2.gz ZHVNZTAUSFVNSJ-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO N#CCC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000580183651 346628346 /nfs/dbraw/zinc/62/83/46/346628346.db2.gz NCZWGSZRGXMESF-GFCCVEGCSA-N 1 2 247.273 1.434 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(SC)CC1 ZINC000301050949 346760892 /nfs/dbraw/zinc/76/08/92/346760892.db2.gz SYAITXANQCXZDP-JTQLQIEISA-N 1 2 229.345 1.541 20 30 BDEDLO CN(Cc1[nH+]ccn1C)C(=O)CC1(C#N)CC1 ZINC000590130565 346776701 /nfs/dbraw/zinc/77/67/01/346776701.db2.gz RKNVVPZVKCQGFG-UHFFFAOYSA-N 1 2 232.287 1.072 20 30 BDEDLO CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000308293790 347146015 /nfs/dbraw/zinc/14/60/15/347146015.db2.gz IYYXAFNQOGGCFZ-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000308293790 347146018 /nfs/dbraw/zinc/14/60/18/347146018.db2.gz IYYXAFNQOGGCFZ-UHFFFAOYSA-N 1 2 249.289 1.265 20 30 BDEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H](CO)O1 ZINC000310601506 347298490 /nfs/dbraw/zinc/29/84/90/347298490.db2.gz RGDZOQJHMYZTTK-ZFWWWQNUSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H](CO)O1 ZINC000310601506 347298495 /nfs/dbraw/zinc/29/84/95/347298495.db2.gz RGDZOQJHMYZTTK-ZFWWWQNUSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H](CO)O1 ZINC000310601505 347299206 /nfs/dbraw/zinc/29/92/06/347299206.db2.gz RGDZOQJHMYZTTK-UKRRQHHQSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H](CO)O1 ZINC000310601505 347299207 /nfs/dbraw/zinc/29/92/07/347299207.db2.gz RGDZOQJHMYZTTK-UKRRQHHQSA-N 1 2 245.322 1.120 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000590756870 347505997 /nfs/dbraw/zinc/50/59/97/347505997.db2.gz DGUQYYAVCBVQSE-IJLUTSLNSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000590756870 347505998 /nfs/dbraw/zinc/50/59/98/347505998.db2.gz DGUQYYAVCBVQSE-IJLUTSLNSA-N 1 2 241.331 1.461 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000590757344 347506136 /nfs/dbraw/zinc/50/61/36/347506136.db2.gz KFESOTLUJIOYEL-HBNTYKKESA-N 1 2 227.304 1.071 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000590757344 347506137 /nfs/dbraw/zinc/50/61/37/347506137.db2.gz KFESOTLUJIOYEL-HBNTYKKESA-N 1 2 227.304 1.071 20 30 BDEDLO C=CCCN(C)c1[nH+]cnc2c1cnn2C ZINC000276312002 166261825 /nfs/dbraw/zinc/26/18/25/166261825.db2.gz NGRURROUCJCVSP-UHFFFAOYSA-N 1 2 217.276 1.376 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000679540731 488357240 /nfs/dbraw/zinc/35/72/40/488357240.db2.gz PHMKUBIQRTYSRH-GFCCVEGCSA-N 1 2 222.332 1.341 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000679540731 488357241 /nfs/dbraw/zinc/35/72/41/488357241.db2.gz PHMKUBIQRTYSRH-GFCCVEGCSA-N 1 2 222.332 1.341 20 30 BDEDLO CC(C)n1c[nH+]cc1CN1CC[C@](F)(C#N)C1 ZINC000591836216 347703128 /nfs/dbraw/zinc/70/31/28/347703128.db2.gz GWIIMTOOFNHWOP-LBPRGKRZSA-N 1 2 236.294 1.902 20 30 BDEDLO C[C@@H](O)[C@H]([NH2+]CCC#N)c1ccccc1F ZINC000592431191 347777838 /nfs/dbraw/zinc/77/78/38/347777838.db2.gz WOXWGXFVSBNNHW-SKDRFNHKSA-N 1 2 222.263 1.751 20 30 BDEDLO Cc1cc(N2CC[C@](O)(CC#N)C2)c(C#N)c[nH+]1 ZINC000591976488 347723654 /nfs/dbraw/zinc/72/36/54/347723654.db2.gz XVQYOHAGCDNFAS-CYBMUJFWSA-N 1 2 242.282 1.117 20 30 BDEDLO CC[N@@H+](Cc1ccncc1C#N)C[C@H]1CCCO1 ZINC000592066372 347725998 /nfs/dbraw/zinc/72/59/98/347725998.db2.gz XWPBGAVPWFVEJU-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO CC[N@H+](Cc1ccncc1C#N)C[C@H]1CCCO1 ZINC000592066372 347726001 /nfs/dbraw/zinc/72/60/01/347726001.db2.gz XWPBGAVPWFVEJU-CQSZACIVSA-N 1 2 245.326 1.954 20 30 BDEDLO C=C[C@H]([NH2+]CCC1(COC)CC1)C(=O)OC ZINC000592445460 347779829 /nfs/dbraw/zinc/77/98/29/347779829.db2.gz PBHIYCHVFSNJJQ-JTQLQIEISA-N 1 2 227.304 1.120 20 30 BDEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150430 347741778 /nfs/dbraw/zinc/74/17/78/347741778.db2.gz CLKDTPSBMJUFBQ-CMPLNLGQSA-N 1 2 235.287 1.395 20 30 BDEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150430 347741781 /nfs/dbraw/zinc/74/17/81/347741781.db2.gz CLKDTPSBMJUFBQ-CMPLNLGQSA-N 1 2 235.287 1.395 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@@H](C)CC(F)F)C(=O)OC ZINC000592446026 347780467 /nfs/dbraw/zinc/78/04/67/347780467.db2.gz TYLDJXCJZAMFQM-JGVFFNPUSA-N 1 2 221.247 1.595 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000592524022 347794822 /nfs/dbraw/zinc/79/48/22/347794822.db2.gz SRLVKFFAUHUYCV-LLVKDONJSA-N 1 2 240.690 1.783 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000592524022 347794826 /nfs/dbraw/zinc/79/48/26/347794826.db2.gz SRLVKFFAUHUYCV-LLVKDONJSA-N 1 2 240.690 1.783 20 30 BDEDLO CC[C@H]1C[N@H+](CC2(C#N)CC2)[C@H](C)CO1 ZINC000593061699 347849230 /nfs/dbraw/zinc/84/92/30/347849230.db2.gz LOHBRGQYMYKFCI-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO CC[C@H]1C[N@@H+](CC2(C#N)CC2)[C@H](C)CO1 ZINC000593061699 347849231 /nfs/dbraw/zinc/84/92/31/347849231.db2.gz LOHBRGQYMYKFCI-MNOVXSKESA-N 1 2 208.305 1.789 20 30 BDEDLO C=C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)OC ZINC000593079564 347851090 /nfs/dbraw/zinc/85/10/90/347851090.db2.gz DXHPSYNPHKMXSL-SNVBAGLBSA-N 1 2 209.289 1.636 20 30 BDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593083426 347851355 /nfs/dbraw/zinc/85/13/55/347851355.db2.gz NEUXMVXYSHEOGI-CMPLNLGQSA-N 1 2 241.331 1.054 20 30 BDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H](C)CO)CC1 ZINC000593083429 347851408 /nfs/dbraw/zinc/85/14/08/347851408.db2.gz NEUXMVXYSHEOGI-PWSUYJOCSA-N 1 2 241.331 1.054 20 30 BDEDLO COCCN1CC[N@H+](CCCC#N)C(C)(C)C1 ZINC000593099583 347857092 /nfs/dbraw/zinc/85/70/92/347857092.db2.gz JPWOJUDEWBLTPV-UHFFFAOYSA-N 1 2 239.363 1.333 20 30 BDEDLO COCCN1CC[N@@H+](CCCC#N)C(C)(C)C1 ZINC000593099583 347857095 /nfs/dbraw/zinc/85/70/95/347857095.db2.gz JPWOJUDEWBLTPV-UHFFFAOYSA-N 1 2 239.363 1.333 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125793 347863918 /nfs/dbraw/zinc/86/39/18/347863918.db2.gz GGSUQYQBQXCDST-CQSZACIVSA-N 1 2 228.295 1.811 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125793 347863922 /nfs/dbraw/zinc/86/39/22/347863922.db2.gz GGSUQYQBQXCDST-CQSZACIVSA-N 1 2 228.295 1.811 20 30 BDEDLO CCC(C)(C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154294 347866002 /nfs/dbraw/zinc/86/60/02/347866002.db2.gz FSVQECMXMQQMMC-CYBMUJFWSA-N 1 2 239.363 1.773 20 30 BDEDLO C=C[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000593183143 347869251 /nfs/dbraw/zinc/86/92/51/347869251.db2.gz PFADAIOFJRIRAK-JTQLQIEISA-N 1 2 209.289 1.636 20 30 BDEDLO CCN(C[C@@H](C)C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593406743 347884706 /nfs/dbraw/zinc/88/47/06/347884706.db2.gz FMWBTKFXFABKAH-RYUDHWBXSA-N 1 2 248.330 1.842 20 30 BDEDLO Cc1cc(NCCC2(CO)CCC2)c(C#N)c[nH+]1 ZINC000593512588 347902602 /nfs/dbraw/zinc/90/26/02/347902602.db2.gz ZISRHJICNWYGQM-UHFFFAOYSA-N 1 2 245.326 1.648 20 30 BDEDLO Cc1cc(C[NH2+]CC2(C#N)CCCC2)nn1C ZINC000593654761 347922723 /nfs/dbraw/zinc/92/27/23/347922723.db2.gz NJDSXZTYBUBXPX-UHFFFAOYSA-N 1 2 232.331 1.902 20 30 BDEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000593959359 347971757 /nfs/dbraw/zinc/97/17/57/347971757.db2.gz AOOXMIZFSNVHIY-BETUJISGSA-N 1 2 229.283 1.316 20 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BDEDLO N#CCC[C@@H](C#N)CN1CCn2c[nH+]cc2C1 ZINC000595494204 348262253 /nfs/dbraw/zinc/26/22/53/348262253.db2.gz KOWKAIYXEHJKPU-NSHDSACASA-N 1 2 229.287 1.142 20 30 BDEDLO CC#CC[N@H+](C1CC1)C1(C(=O)OC)CCC1 ZINC000595537829 348276017 /nfs/dbraw/zinc/27/60/17/348276017.db2.gz FUACBBDRPBVGOW-UHFFFAOYSA-N 1 2 221.300 1.570 20 30 BDEDLO CC#CC[N@@H+](C1CC1)C1(C(=O)OC)CCC1 ZINC000595537829 348276021 /nfs/dbraw/zinc/27/60/21/348276021.db2.gz FUACBBDRPBVGOW-UHFFFAOYSA-N 1 2 221.300 1.570 20 30 BDEDLO C[C@@H](C#N)N(Cc1cc[nH+]c(N)c1)C1CC1 ZINC000595708985 348320392 /nfs/dbraw/zinc/32/03/92/348320392.db2.gz AUKALFNJYFWDKT-VIFPVBQESA-N 1 2 216.288 1.371 20 30 BDEDLO COC(=O)[C@](C)(CCF)[NH2+]CCCC#N ZINC000595770724 348336582 /nfs/dbraw/zinc/33/65/82/348336582.db2.gz UDKYXLVGZJYKJB-JTQLQIEISA-N 1 2 216.256 1.171 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H](C)O1 ZINC000595779414 348339300 /nfs/dbraw/zinc/33/93/00/348339300.db2.gz ACBAPQZQRLGNJL-NEPJUHHUSA-N 1 2 245.326 1.953 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@H](C)O1 ZINC000595779414 348339301 /nfs/dbraw/zinc/33/93/01/348339301.db2.gz ACBAPQZQRLGNJL-NEPJUHHUSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834990 348368178 /nfs/dbraw/zinc/36/81/78/348368178.db2.gz ODYLZFNDYLTVNZ-GMXVVIOVSA-N 1 2 237.347 1.525 20 30 BDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834990 348368181 /nfs/dbraw/zinc/36/81/81/348368181.db2.gz ODYLZFNDYLTVNZ-GMXVVIOVSA-N 1 2 237.347 1.525 20 30 BDEDLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834743 348368377 /nfs/dbraw/zinc/36/83/77/348368377.db2.gz LNQNGOPMSKYYCO-CYBMUJFWSA-N 1 2 237.347 1.527 20 30 BDEDLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834743 348368379 /nfs/dbraw/zinc/36/83/79/348368379.db2.gz LNQNGOPMSKYYCO-CYBMUJFWSA-N 1 2 237.347 1.527 20 30 BDEDLO Cc1c(C[N@@H+]2CC[C@@](C)(C#N)C2)cnn1C ZINC000595837444 348371087 /nfs/dbraw/zinc/37/10/87/348371087.db2.gz GWTBEZUTZIJJAY-LBPRGKRZSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1c(C[N@H+]2CC[C@@](C)(C#N)C2)cnn1C ZINC000595837444 348371090 /nfs/dbraw/zinc/37/10/90/348371090.db2.gz GWTBEZUTZIJJAY-LBPRGKRZSA-N 1 2 218.304 1.464 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839136 348372472 /nfs/dbraw/zinc/37/24/72/348372472.db2.gz ZLDRBBUFWXCFDC-YPMHNXCESA-N 1 2 237.347 1.477 20 30 BDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839136 348372476 /nfs/dbraw/zinc/37/24/76/348372476.db2.gz ZLDRBBUFWXCFDC-YPMHNXCESA-N 1 2 237.347 1.477 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000595840875 348375526 /nfs/dbraw/zinc/37/55/26/348375526.db2.gz GPNUEYFSLUMWQD-NXEZZACHSA-N 1 2 230.258 1.646 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000595840875 348375529 /nfs/dbraw/zinc/37/55/29/348375529.db2.gz GPNUEYFSLUMWQD-NXEZZACHSA-N 1 2 230.258 1.646 20 30 BDEDLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844340 348382166 /nfs/dbraw/zinc/38/21/66/348382166.db2.gz 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ZINC000597178472 348680421 /nfs/dbraw/zinc/68/04/21/348680421.db2.gz XWZBDSIIHAQWFX-JTQLQIEISA-N 1 2 205.261 1.800 20 30 BDEDLO C[C@@H](CC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000597215901 348690312 /nfs/dbraw/zinc/69/03/12/348690312.db2.gz PHAHTHOGLUQMAA-VIFPVBQESA-N 1 2 228.255 1.823 20 30 BDEDLO CN(C)c1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597228199 348697026 /nfs/dbraw/zinc/69/70/26/348697026.db2.gz BILYXXQTOPJTOM-ZDUSSCGKSA-N 1 2 245.330 1.278 20 30 BDEDLO CN(C)c1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597228199 348697028 /nfs/dbraw/zinc/69/70/28/348697028.db2.gz BILYXXQTOPJTOM-ZDUSSCGKSA-N 1 2 245.330 1.278 20 30 BDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c[nH]1 ZINC000597231109 348698639 /nfs/dbraw/zinc/69/86/39/348698639.db2.gz WJYQFJZZWXFMPS-CYBMUJFWSA-N 1 2 247.298 1.537 20 30 BDEDLO COC(=O)c1cc(C[N@H+]2CC[C@](C)(C#N)C2)c[nH]1 ZINC000597231109 348698640 /nfs/dbraw/zinc/69/86/40/348698640.db2.gz WJYQFJZZWXFMPS-CYBMUJFWSA-N 1 2 247.298 1.537 20 30 BDEDLO 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223.320 1.521 20 30 BDEDLO Cc1nccnc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000598672579 349019686 /nfs/dbraw/zinc/01/96/86/349019686.db2.gz BPUTYKUAMBBIDD-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1nccnc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000598672579 349019687 /nfs/dbraw/zinc/01/96/87/349019687.db2.gz BPUTYKUAMBBIDD-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO C=C[C@@H]([NH2+]CC[C@H]1CC1(F)F)C(=O)OC ZINC000598730831 349032800 /nfs/dbraw/zinc/03/28/00/349032800.db2.gz CXHVTWWWFHMIKQ-JGVFFNPUSA-N 1 2 219.231 1.349 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CC1(C#N)CC1 ZINC000598738529 349036138 /nfs/dbraw/zinc/03/61/38/349036138.db2.gz ODFIRLUQGKFBEX-SNVBAGLBSA-N 1 2 246.314 1.774 20 30 BDEDLO CC(C)(CC#N)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000598741820 349036687 /nfs/dbraw/zinc/03/66/87/349036687.db2.gz ZHYAZZJTEMAXDU-UHFFFAOYSA-N 1 2 248.330 1.743 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccn1 ZINC000599641659 349238822 /nfs/dbraw/zinc/23/88/22/349238822.db2.gz KDBQYTSYYXMZEX-ZDUSSCGKSA-N 1 2 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228.255 1.285 20 30 BDEDLO Cc1cc(N[C@H]2CO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000402293986 350127778 /nfs/dbraw/zinc/12/77/78/350127778.db2.gz IJMJBPHUBWHYCI-MWLCHTKSSA-N 1 2 217.272 1.273 20 30 BDEDLO Cc1cc(N[C@@H]2CO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000402293984 350127786 /nfs/dbraw/zinc/12/77/86/350127786.db2.gz IJMJBPHUBWHYCI-KOLCDFICSA-N 1 2 217.272 1.273 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000219367080 350124217 /nfs/dbraw/zinc/12/42/17/350124217.db2.gz QFRFHGWXRHGWHV-WCQYABFASA-N 1 2 218.300 1.811 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000219367080 350124219 /nfs/dbraw/zinc/12/42/19/350124219.db2.gz QFRFHGWXRHGWHV-WCQYABFASA-N 1 2 218.300 1.811 20 30 BDEDLO CC(C)[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000219510179 350129602 /nfs/dbraw/zinc/12/96/02/350129602.db2.gz FCVIQLHDHCPJQK-UHFFFAOYSA-N 1 2 249.289 1.393 20 30 BDEDLO CC(C)[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000219510179 350129605 /nfs/dbraw/zinc/12/96/05/350129605.db2.gz FCVIQLHDHCPJQK-UHFFFAOYSA-N 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134147331 /nfs/dbraw/zinc/14/73/31/134147331.db2.gz UOMTYXKYCSDAPK-SNVBAGLBSA-N 1 2 233.315 1.864 20 30 BDEDLO CC[N@H+](Cc1cnn(C)c1)CC1(C#N)CCC1 ZINC000450339179 202132551 /nfs/dbraw/zinc/13/25/51/202132551.db2.gz OSMCLWQWQUYYQO-UHFFFAOYSA-N 1 2 232.331 1.936 20 30 BDEDLO CC[N@@H+](Cc1cnn(C)c1)CC1(C#N)CCC1 ZINC000450339179 202132555 /nfs/dbraw/zinc/13/25/55/202132555.db2.gz OSMCLWQWQUYYQO-UHFFFAOYSA-N 1 2 232.331 1.936 20 30 BDEDLO C=C(C)CNC(=O)CCCn1cc[nH+]c1 ZINC000153037355 538494769 /nfs/dbraw/zinc/49/47/69/538494769.db2.gz ANJDDZCNLFYDJV-UHFFFAOYSA-N 1 2 207.277 1.356 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000639787414 356740014 /nfs/dbraw/zinc/74/00/14/356740014.db2.gz NVHZCAHBHCXJKS-VIFPVBQESA-N 1 2 239.344 1.266 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000639787414 356740016 /nfs/dbraw/zinc/74/00/16/356740016.db2.gz NVHZCAHBHCXJKS-VIFPVBQESA-N 1 2 239.344 1.266 20 30 BDEDLO C=CCOCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000354756324 134169906 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363694314 /nfs/dbraw/zinc/69/43/14/363694314.db2.gz MSYZQDHWNXNIDZ-KXNHARMFSA-N 1 2 239.315 1.261 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH+]1CC2(C1)CCOCC2 ZINC000612681133 359988486 /nfs/dbraw/zinc/98/84/86/359988486.db2.gz YXIDWJSHQCRHEE-LBPRGKRZSA-N 1 2 233.315 1.542 20 30 BDEDLO C=CCCn1cc(C[NH2+]CC(C)(C)F)nn1 ZINC000631188597 360108516 /nfs/dbraw/zinc/10/85/16/360108516.db2.gz GQGCLABAXPEGEP-UHFFFAOYSA-N 1 2 226.299 1.692 20 30 BDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000613130295 360404424 /nfs/dbraw/zinc/40/44/24/360404424.db2.gz TXUUIFJKPKWLHN-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000613130295 360404426 /nfs/dbraw/zinc/40/44/26/360404426.db2.gz TXUUIFJKPKWLHN-IUCAKERBSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000564388983 325608880 /nfs/dbraw/zinc/60/88/80/325608880.db2.gz LPIZLYFBRIBTLF-NSHDSACASA-N 1 2 235.331 1.233 20 30 BDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000578989769 366688103 /nfs/dbraw/zinc/68/81/03/366688103.db2.gz HURCBVGBPWHGAG-JTQLQIEISA-N 1 2 234.303 1.017 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1CCCCC1 ZINC000579022380 366697986 /nfs/dbraw/zinc/69/79/86/366697986.db2.gz VTDYXVSGJRAGPZ-NSHDSACASA-N 1 2 237.347 1.717 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000429884423 201134501 /nfs/dbraw/zinc/13/45/01/201134501.db2.gz KDGHKOOPLFYEFA-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000429884423 201134503 /nfs/dbraw/zinc/13/45/03/201134503.db2.gz KDGHKOOPLFYEFA-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433312738 201180336 /nfs/dbraw/zinc/18/03/36/201180336.db2.gz RZAXSLGHRZJRQI-SNVBAGLBSA-N 1 2 225.336 1.383 20 30 BDEDLO CCCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433312738 201180339 /nfs/dbraw/zinc/18/03/39/201180339.db2.gz RZAXSLGHRZJRQI-SNVBAGLBSA-N 1 2 225.336 1.383 20 30 BDEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(C2CC2)C1=O ZINC000433285487 201176162 /nfs/dbraw/zinc/17/61/62/201176162.db2.gz IBWAALMAQWFVQS-LLVKDONJSA-N 1 2 235.331 1.231 20 30 BDEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(C2CC2)C1=O ZINC000433285487 201176165 /nfs/dbraw/zinc/17/61/65/201176165.db2.gz IBWAALMAQWFVQS-LLVKDONJSA-N 1 2 235.331 1.231 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614395602 363797646 /nfs/dbraw/zinc/79/76/46/363797646.db2.gz BFQZBUXEINKAHU-QWRGUYRKSA-N 1 2 247.342 1.986 20 30 BDEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614395602 363797651 /nfs/dbraw/zinc/79/76/51/363797651.db2.gz BFQZBUXEINKAHU-QWRGUYRKSA-N 1 2 247.342 1.986 20 30 BDEDLO C=C(C)c1ccc(NCCCOC)[nH+]c1 ZINC000629730072 361668890 /nfs/dbraw/zinc/66/88/90/361668890.db2.gz QGQLEZZMQUHLTA-UHFFFAOYSA-N 1 2 206.289 1.985 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)c1c(C#N)cccc1C#N ZINC000436389474 201324039 /nfs/dbraw/zinc/32/40/39/201324039.db2.gz ORIZGLGCBSLBRJ-UHFFFAOYSA-N 1 2 237.266 1.789 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccn1 ZINC000614406752 363806828 /nfs/dbraw/zinc/80/68/28/363806828.db2.gz JXFZONZWXLTWQP-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccn1 ZINC000614406752 363806830 /nfs/dbraw/zinc/80/68/30/363806830.db2.gz JXFZONZWXLTWQP-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO COc1ccccc1[C@@H](CO)[NH2+]CC1(C#N)CC1 ZINC000541984828 364056704 /nfs/dbraw/zinc/05/67/04/364056704.db2.gz RCKXGGURPXISAB-GFCCVEGCSA-N 1 2 246.310 1.622 20 30 BDEDLO CC[C@@H](NC(=O)[C@H](C#N)CC)c1[nH]cc[nH+]1 ZINC000139664826 364438102 /nfs/dbraw/zinc/43/81/02/364438102.db2.gz RVMFJRXXEDVWQY-DTWKUNHWSA-N 1 2 220.276 1.527 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]CC1(C#N)CC1 ZINC000573357846 364808751 /nfs/dbraw/zinc/80/87/51/364808751.db2.gz CIUUFULUZXSCAO-JTQLQIEISA-N 1 2 202.261 1.323 20 30 BDEDLO COc1cc(C)nc(C[NH2+]CC2(C#N)CC2)c1 ZINC000574266928 365021299 /nfs/dbraw/zinc/02/12/99/365021299.db2.gz NZRUXMFOMSLVDR-UHFFFAOYSA-N 1 2 231.299 1.792 20 30 BDEDLO COc1cc(C)[nH+]c(CNCC2(C#N)CC2)c1 ZINC000574266928 365021306 /nfs/dbraw/zinc/02/13/06/365021306.db2.gz NZRUXMFOMSLVDR-UHFFFAOYSA-N 1 2 231.299 1.792 20 30 BDEDLO Cc1c[nH+]c(C)nc1NCc1ccc(C#N)cc1 ZINC000574272535 365024358 /nfs/dbraw/zinc/02/43/58/365024358.db2.gz NNZGSVPZKDRYGL-UHFFFAOYSA-N 1 2 238.294 1.999 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000575134825 365217195 /nfs/dbraw/zinc/21/71/95/365217195.db2.gz JQSFOOQYXNMXEG-LLVKDONJSA-N 1 2 233.315 1.789 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000575134825 365217197 /nfs/dbraw/zinc/21/71/97/365217197.db2.gz JQSFOOQYXNMXEG-LLVKDONJSA-N 1 2 233.315 1.789 20 30 BDEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000575133954 365217208 /nfs/dbraw/zinc/21/72/08/365217208.db2.gz DSADKNJOCXZWEN-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000575133954 365217212 /nfs/dbraw/zinc/21/72/12/365217212.db2.gz DSADKNJOCXZWEN-CQSZACIVSA-N 1 2 245.326 1.810 20 30 BDEDLO CC1(C#N)C[NH+](CCCCCn2cccn2)C1 ZINC000575192773 365236098 /nfs/dbraw/zinc/23/60/98/365236098.db2.gz MQIBJCWXMDCRQD-UHFFFAOYSA-N 1 2 232.331 1.899 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+](CCC#N)C(C)C ZINC000575837329 365378079 /nfs/dbraw/zinc/37/80/79/365378079.db2.gz VVLZHOKLEOVFPQ-UHFFFAOYSA-N 1 2 220.320 1.853 20 30 BDEDLO Cc1cnn(C)c1C[N@H+](CCC#N)C(C)C ZINC000575837329 365378082 /nfs/dbraw/zinc/37/80/82/365378082.db2.gz VVLZHOKLEOVFPQ-UHFFFAOYSA-N 1 2 220.320 1.853 20 30 BDEDLO CC(C)C[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579718647 366990845 /nfs/dbraw/zinc/99/08/45/366990845.db2.gz WGISTLZQIGBNBR-DGCLKSJQSA-N 1 2 239.363 1.629 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000068613844 370820396 /nfs/dbraw/zinc/82/03/96/370820396.db2.gz AAUQGBMUPBODRP-NEPJUHHUSA-N 1 2 245.326 1.583 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000068613851 370820562 /nfs/dbraw/zinc/82/05/62/370820562.db2.gz AAUQGBMUPBODRP-VXGBXAGGSA-N 1 2 245.326 1.583 20 30 BDEDLO CC[C@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581014778 367236904 /nfs/dbraw/zinc/23/69/04/367236904.db2.gz QBVZUDWCGOTQRV-VHSXEESVSA-N 1 2 220.276 1.253 20 30 BDEDLO COc1ccc(C[NH2+]CCC#N)cc1NC(C)=O ZINC000581066302 367249937 /nfs/dbraw/zinc/24/99/37/367249937.db2.gz HOJOJVQHUUPRCR-UHFFFAOYSA-N 1 2 247.298 1.657 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000383368926 367618223 /nfs/dbraw/zinc/61/82/23/367618223.db2.gz WNEBZDFXZBWMKZ-QMMMGPOBSA-N 1 2 246.236 1.695 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000566439216 326047347 /nfs/dbraw/zinc/04/73/47/326047347.db2.gz ZSPHJTQPRARXCX-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO C#CC[NH+]1CCN(c2ccccc2O)CC1 ZINC000045910637 368433405 /nfs/dbraw/zinc/43/34/05/368433405.db2.gz LSMDJBSNVMUKRT-UHFFFAOYSA-N 1 2 216.284 1.147 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616114711 368960448 /nfs/dbraw/zinc/96/04/48/368960448.db2.gz CEFSQWKNUWXYMR-SNVBAGLBSA-N 1 2 233.315 1.597 20 30 BDEDLO C=C(CC)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616114711 368960449 /nfs/dbraw/zinc/96/04/49/368960449.db2.gz CEFSQWKNUWXYMR-SNVBAGLBSA-N 1 2 233.315 1.597 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000617895764 369047922 /nfs/dbraw/zinc/04/79/22/369047922.db2.gz HHWXNAXIBDYFIE-SLEUVZQESA-N 1 2 227.373 1.489 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000617895764 369047926 /nfs/dbraw/zinc/04/79/26/369047926.db2.gz HHWXNAXIBDYFIE-SLEUVZQESA-N 1 2 227.373 1.489 20 30 BDEDLO Cn1cnc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000618903927 369236581 /nfs/dbraw/zinc/23/65/81/369236581.db2.gz MNDOWIONFRSMKJ-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO Cn1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000618903927 369236586 /nfs/dbraw/zinc/23/65/86/369236586.db2.gz MNDOWIONFRSMKJ-UHFFFAOYSA-N 1 2 240.310 1.924 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360432 203268640 /nfs/dbraw/zinc/26/86/40/203268640.db2.gz HWINRGXDNNGHLK-SECBINFHSA-N 1 2 246.314 1.794 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459360432 203268644 /nfs/dbraw/zinc/26/86/44/203268644.db2.gz HWINRGXDNNGHLK-SECBINFHSA-N 1 2 246.314 1.794 20 30 BDEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1O ZINC000400068353 369342233 /nfs/dbraw/zinc/34/22/33/369342233.db2.gz FOYSVSFQXRRLFG-ZWNOBZJWSA-N 1 2 231.299 1.469 20 30 BDEDLO CCOC1(C)C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000459627270 203322053 /nfs/dbraw/zinc/32/20/53/203322053.db2.gz WIKHUNDQZGRYDQ-UHFFFAOYSA-N 1 2 233.315 1.508 20 30 BDEDLO C[C@@H](CO)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405142143 369446562 /nfs/dbraw/zinc/44/65/62/369446562.db2.gz YHVZUFPWAAHUHE-SNVBAGLBSA-N 1 2 216.284 1.502 20 30 BDEDLO C[C@@H](CO)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405142143 369446565 /nfs/dbraw/zinc/44/65/65/369446565.db2.gz YHVZUFPWAAHUHE-SNVBAGLBSA-N 1 2 216.284 1.502 20 30 BDEDLO CC(C)[C@H](C#N)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000619511150 369453135 /nfs/dbraw/zinc/45/31/35/369453135.db2.gz QJCCRYZTUSUAJO-ZDUSSCGKSA-N 1 2 247.346 1.075 20 30 BDEDLO CC(C)[C@H](C#N)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000619511150 369453141 /nfs/dbraw/zinc/45/31/41/369453141.db2.gz QJCCRYZTUSUAJO-ZDUSSCGKSA-N 1 2 247.346 1.075 20 30 BDEDLO CC(C)(F)C[NH2+]Cc1nc(C#N)cs1 ZINC000601136679 369594292 /nfs/dbraw/zinc/59/42/92/369594292.db2.gz JHCJVVMGYSERPP-UHFFFAOYSA-N 1 2 213.281 1.852 20 30 BDEDLO C[C@H](C[N@@H+]1CCO[C@H](C#N)C1)C(C)(C)C ZINC000619844296 369616237 /nfs/dbraw/zinc/61/62/37/369616237.db2.gz PIZJJFZSLPUPHA-GHMZBOCLSA-N 1 2 210.321 1.893 20 30 BDEDLO C[C@H](C[N@H+]1CCO[C@H](C#N)C1)C(C)(C)C ZINC000619844296 369616242 /nfs/dbraw/zinc/61/62/42/369616242.db2.gz PIZJJFZSLPUPHA-GHMZBOCLSA-N 1 2 210.321 1.893 20 30 BDEDLO C=CCCOCC(=O)NCCNc1cccc[nH+]1 ZINC000620174987 369757968 /nfs/dbraw/zinc/75/79/68/369757968.db2.gz AYSZQEMBSZSGRT-UHFFFAOYSA-N 1 2 249.314 1.202 20 30 BDEDLO CC(C)(O)C1C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000602689521 369839955 /nfs/dbraw/zinc/83/99/55/369839955.db2.gz VZHONDPEYSNGGS-UHFFFAOYSA-N 1 2 248.301 1.900 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)o1 ZINC000602752176 369849438 /nfs/dbraw/zinc/84/94/38/369849438.db2.gz UMOLTVSYTVFUBP-VIFPVBQESA-N 1 2 238.312 1.061 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)o1 ZINC000602752176 369849443 /nfs/dbraw/zinc/84/94/43/369849443.db2.gz UMOLTVSYTVFUBP-VIFPVBQESA-N 1 2 238.312 1.061 20 30 BDEDLO CO[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000602900173 369861276 /nfs/dbraw/zinc/86/12/76/369861276.db2.gz SXQVEXFOXHGOCR-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO CO[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000602900173 369861280 /nfs/dbraw/zinc/86/12/80/369861280.db2.gz SXQVEXFOXHGOCR-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO Cc1cc(C#N)nc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000603406608 369956208 /nfs/dbraw/zinc/95/62/08/369956208.db2.gz MCLNKWORPHPWSZ-UHFFFAOYSA-N 1 2 242.286 1.727 20 30 BDEDLO Cc1nc(C[NH2+]CC2(C#N)CC2)cs1 ZINC000308718077 370153677 /nfs/dbraw/zinc/15/36/77/370153677.db2.gz CAJWNPNRTTWHIZ-UHFFFAOYSA-N 1 2 207.302 1.845 20 30 BDEDLO C=C(C)CN(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000621461810 370363054 /nfs/dbraw/zinc/36/30/54/370363054.db2.gz WFEOWKFWFLNKGU-UHFFFAOYSA-N 1 2 236.319 1.180 20 30 BDEDLO Cn1c[nH+]c(CCNc2cnccc2C#N)c1 ZINC000313465285 370588792 /nfs/dbraw/zinc/58/87/92/370588792.db2.gz CZHAOIXLXSGOKF-UHFFFAOYSA-N 1 2 227.271 1.341 20 30 BDEDLO Cn1c[nH+]c(CCNc2cccnc2C#N)c1 ZINC000313480786 370590388 /nfs/dbraw/zinc/59/03/88/370590388.db2.gz LAAVUKGRGVBTQU-UHFFFAOYSA-N 1 2 227.271 1.341 20 30 BDEDLO C=C(C)CN(CC)C(=O)NCCn1cc[nH+]c1 ZINC000079255034 370632104 /nfs/dbraw/zinc/63/21/04/370632104.db2.gz ZCCKUINOXVOMQG-UHFFFAOYSA-N 1 2 236.319 1.491 20 30 BDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000390236330 371191504 /nfs/dbraw/zinc/19/15/04/371191504.db2.gz GCNPKDUWWZIRSJ-UWVGGRQHSA-N 1 2 223.320 1.325 20 30 BDEDLO Cc1nnc(C[NH2+][C@H]2CCCC[C@@H]2C#N)n1C ZINC000393052221 371495164 /nfs/dbraw/zinc/49/51/64/371495164.db2.gz BOYGSWOMEAZACW-MNOVXSKESA-N 1 2 233.319 1.296 20 30 BDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1nccn1C ZINC000602723737 371834675 /nfs/dbraw/zinc/83/46/75/371834675.db2.gz SCIATSGVAGCQLX-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=C[C@@H]1CCCCN1c1nc(C)[nH+]c(N)n1 ZINC000631252090 372262344 /nfs/dbraw/zinc/26/23/44/372262344.db2.gz MZHYFHMZIQHOBA-SECBINFHSA-N 1 2 219.292 1.137 20 30 BDEDLO C=C[C@@H]1CCCCN1c1nc(N)nc(C)[nH+]1 ZINC000631252090 372262349 /nfs/dbraw/zinc/26/23/49/372262349.db2.gz MZHYFHMZIQHOBA-SECBINFHSA-N 1 2 219.292 1.137 20 30 BDEDLO C=C[C@H](CO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631378829 372324763 /nfs/dbraw/zinc/32/47/63/372324763.db2.gz DMCAIOVSSLEQCA-SECBINFHSA-N 1 2 244.298 1.216 20 30 BDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000633015286 373252969 /nfs/dbraw/zinc/25/29/69/373252969.db2.gz CJQQZEURZYPDDP-LLVKDONJSA-N 1 2 245.326 1.670 20 30 BDEDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442872135 206083989 /nfs/dbraw/zinc/08/39/89/206083989.db2.gz JFUVPRKVCXJEFC-HBNTYKKESA-N 1 2 238.331 1.998 20 30 BDEDLO COCCN(CC#N)Cc1cc(OC)cc[nH+]1 ZINC000459544791 206133999 /nfs/dbraw/zinc/13/39/99/206133999.db2.gz OPYYHAUDFXOMOB-UHFFFAOYSA-N 1 2 235.287 1.062 20 30 BDEDLO COc1ccc(C[N@H+](C)CCC#N)cc1C#N ZINC000087829047 383870028 /nfs/dbraw/zinc/87/00/28/383870028.db2.gz XCHCQJKAOVOQIT-UHFFFAOYSA-N 1 2 229.283 1.912 20 30 BDEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1C#N ZINC000087829047 383870034 /nfs/dbraw/zinc/87/00/34/383870034.db2.gz XCHCQJKAOVOQIT-UHFFFAOYSA-N 1 2 229.283 1.912 20 30 BDEDLO CCC[C@@H]([NH2+]CCCC#N)C(=O)OCC ZINC000309234228 134384834 /nfs/dbraw/zinc/38/48/34/134384834.db2.gz XHXMVKWSWNICSI-SNVBAGLBSA-N 1 2 212.293 1.612 20 30 BDEDLO CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000334457712 383892051 /nfs/dbraw/zinc/89/20/51/383892051.db2.gz PRAXQTVGMLCINI-CYBMUJFWSA-N 1 2 216.284 1.951 20 30 BDEDLO CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000334457712 383892060 /nfs/dbraw/zinc/89/20/60/383892060.db2.gz PRAXQTVGMLCINI-CYBMUJFWSA-N 1 2 216.284 1.951 20 30 BDEDLO C=C(C)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000089508297 383974258 /nfs/dbraw/zinc/97/42/58/383974258.db2.gz DPFLAILZDPFCQQ-UHFFFAOYSA-N 1 2 225.317 1.859 20 30 BDEDLO CC1(CO)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334983961 384005296 /nfs/dbraw/zinc/00/52/96/384005296.db2.gz FJPJXXJMSVRPNO-UHFFFAOYSA-N 1 2 234.274 1.512 20 30 BDEDLO Cn1cc(C[N@@H+]2CCOCC23CC3)cc1C#N ZINC000335063512 384009795 /nfs/dbraw/zinc/00/97/95/384009795.db2.gz NMFWGGLYVFSHBA-UHFFFAOYSA-N 1 2 231.299 1.262 20 30 BDEDLO Cn1cc(C[N@H+]2CCOCC23CC3)cc1C#N ZINC000335063512 384009804 /nfs/dbraw/zinc/00/98/04/384009804.db2.gz NMFWGGLYVFSHBA-UHFFFAOYSA-N 1 2 231.299 1.262 20 30 BDEDLO C#C[C@@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)(C)C ZINC000309622291 384182527 /nfs/dbraw/zinc/18/25/27/384182527.db2.gz FPOAWKWOKZXIOX-GHMZBOCLSA-N 1 2 223.316 1.576 20 30 BDEDLO N#CCN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000072971666 384239687 /nfs/dbraw/zinc/23/96/87/384239687.db2.gz BUEDQEDFVVXVGB-UHFFFAOYSA-N 1 2 245.326 1.349 20 30 BDEDLO Cn1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1C#N ZINC000335441126 384290707 /nfs/dbraw/zinc/29/07/07/384290707.db2.gz FACWGYWFDUCUOW-OCCSQVGLSA-N 1 2 245.326 1.508 20 30 BDEDLO Cn1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1C#N ZINC000335441126 384290713 /nfs/dbraw/zinc/29/07/13/384290713.db2.gz FACWGYWFDUCUOW-OCCSQVGLSA-N 1 2 245.326 1.508 20 30 BDEDLO N#Cc1nn(CC[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000335446770 384291018 /nfs/dbraw/zinc/29/10/18/384291018.db2.gz KXNVJZYCTLTMIT-NSHDSACASA-N 1 2 240.310 1.908 20 30 BDEDLO Cc1cc(NC[C@@H]2CCCS2)c(C#N)c[nH+]1 ZINC000335514759 384294546 /nfs/dbraw/zinc/29/45/46/384294546.db2.gz YPBBOUMOPVUVBT-NSHDSACASA-N 1 2 233.340 1.991 20 30 BDEDLO Cc1cc(NC[C@H]2CCCS2)c(C#N)c[nH+]1 ZINC000335514757 384296663 /nfs/dbraw/zinc/29/66/63/384296663.db2.gz YPBBOUMOPVUVBT-LLVKDONJSA-N 1 2 233.340 1.991 20 30 BDEDLO C#CC[NH+](CC#C)C[C@H](O)c1ccc(F)cc1F ZINC000076185806 384362258 /nfs/dbraw/zinc/36/22/58/384362258.db2.gz LDAYAFXDPLTTEW-AWEZNQCLSA-N 1 2 249.260 1.567 20 30 BDEDLO C=CC[NH+](CC=C)[C@@H](C(=O)OC)C1CC1 ZINC000084094649 384362340 /nfs/dbraw/zinc/36/23/40/384362340.db2.gz ACRRVDJAYXCXGB-LLVKDONJSA-N 1 2 209.289 1.612 20 30 BDEDLO CC(C)(C)OC(=O)N1CCC([NH2+]CC#N)CC1 ZINC000095932337 384410338 /nfs/dbraw/zinc/41/03/38/384410338.db2.gz AYWRSPLNIYUZOA-UHFFFAOYSA-N 1 2 239.319 1.499 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)Nc1cc[nH+]cc1C ZINC000335907063 384424012 /nfs/dbraw/zinc/42/40/12/384424012.db2.gz IRPLERVNBKXOMO-UHFFFAOYSA-N 1 2 241.250 1.837 20 30 BDEDLO CC#CC[N@@H+](CC(=O)OCC)CC(C)C ZINC000159708392 384485169 /nfs/dbraw/zinc/48/51/69/384485169.db2.gz QPWMHFKQYXAAFC-UHFFFAOYSA-N 1 2 211.305 1.531 20 30 BDEDLO CC#CC[N@H+](CC(=O)OCC)CC(C)C ZINC000159708392 384485176 /nfs/dbraw/zinc/48/51/76/384485176.db2.gz QPWMHFKQYXAAFC-UHFFFAOYSA-N 1 2 211.305 1.531 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000037689249 384511137 /nfs/dbraw/zinc/51/11/37/384511137.db2.gz MZVRBSINRDSPMI-GFCCVEGCSA-N 1 2 204.273 1.565 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccccc1 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384541596 /nfs/dbraw/zinc/54/15/96/384541596.db2.gz KRCNNGMEHFSXHT-WDEREUQCSA-N 1 2 246.314 1.254 20 30 BDEDLO COC(=O)c1ccc(C[N@H+](C)CCC#N)cc1 ZINC000020360895 384612626 /nfs/dbraw/zinc/61/26/26/384612626.db2.gz MGLCBTJWPHFSLB-UHFFFAOYSA-N 1 2 232.283 1.819 20 30 BDEDLO COC(=O)c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000020360895 384612634 /nfs/dbraw/zinc/61/26/34/384612634.db2.gz MGLCBTJWPHFSLB-UHFFFAOYSA-N 1 2 232.283 1.819 20 30 BDEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565725202 384683321 /nfs/dbraw/zinc/68/33/21/384683321.db2.gz WOPNIWQVPCMLJM-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565725202 384683328 /nfs/dbraw/zinc/68/33/28/384683328.db2.gz WOPNIWQVPCMLJM-BXUZGUMPSA-N 1 2 245.326 1.953 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000491783934 384685205 /nfs/dbraw/zinc/68/52/05/384685205.db2.gz PUWQSVABLBYKLR-NWDGAFQWSA-N 1 2 223.316 1.278 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC(C)(C)O1 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/nfs/dbraw/zinc/94/51/98/384945198.db2.gz FYZGIWISBLPTRQ-BREBYQMCSA-N 1 2 201.335 1.404 20 30 BDEDLO Cc1noc(C)c1C[NH+]1CCN(CCC#N)CC1 ZINC000057792373 384967033 /nfs/dbraw/zinc/96/70/33/384967033.db2.gz FLYDNIPWRJONFL-UHFFFAOYSA-N 1 2 248.330 1.323 20 30 BDEDLO Cc1ccnc(N(C)Cc2[nH+]ccn2C)c1C#N ZINC000135077073 385147899 /nfs/dbraw/zinc/14/78/99/385147899.db2.gz JUPZZVXTEJCZBV-UHFFFAOYSA-N 1 2 241.298 1.632 20 30 BDEDLO C#C[C@@H]1COCCN1Cc1c[nH+]c2ccccn12 ZINC000491568698 385158098 /nfs/dbraw/zinc/15/80/98/385158098.db2.gz SATKDLVDVTYZJZ-GFCCVEGCSA-N 1 2 241.294 1.168 20 30 BDEDLO CC#CCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000360448128 385163221 /nfs/dbraw/zinc/16/32/21/385163221.db2.gz OWGUZESPMRHGKC-SUNKGSAMSA-N 1 2 213.346 1.241 20 30 BDEDLO CC#CCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000360448128 385163225 /nfs/dbraw/zinc/16/32/25/385163225.db2.gz OWGUZESPMRHGKC-SUNKGSAMSA-N 1 2 213.346 1.241 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338371799 385238945 /nfs/dbraw/zinc/23/89/45/385238945.db2.gz PREBRJGUZYMFAF-OKILXGFUSA-N 1 2 244.294 1.158 20 30 BDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338371799 385238957 /nfs/dbraw/zinc/23/89/57/385238957.db2.gz PREBRJGUZYMFAF-OKILXGFUSA-N 1 2 244.294 1.158 20 30 BDEDLO C=CCC[C@@H](C)[NH2+][C@@H](COC)C(=O)OC ZINC000308950190 385311745 /nfs/dbraw/zinc/31/17/45/385311745.db2.gz OVGAIOCMXOQLGP-ZJUUUORDSA-N 1 2 215.293 1.119 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCc1ccncc1 ZINC000491298632 385323452 /nfs/dbraw/zinc/32/34/52/385323452.db2.gz WLKJBLLCEMXJAQ-AWEZNQCLSA-N 1 2 230.311 1.348 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCc1ccncc1 ZINC000491298632 385323457 /nfs/dbraw/zinc/32/34/57/385323457.db2.gz WLKJBLLCEMXJAQ-AWEZNQCLSA-N 1 2 230.311 1.348 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000491647775 385342898 /nfs/dbraw/zinc/34/28/98/385342898.db2.gz ZMOUVGNPCWQHJD-ZLKJLUDKSA-N 1 2 246.354 1.544 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000491647775 385342905 /nfs/dbraw/zinc/34/29/05/385342905.db2.gz ZMOUVGNPCWQHJD-ZLKJLUDKSA-N 1 2 246.354 1.544 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000491647601 385344689 /nfs/dbraw/zinc/34/46/89/385344689.db2.gz YMQLIMSLPHVNLY-SECBINFHSA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000491647601 385344693 /nfs/dbraw/zinc/34/46/93/385344693.db2.gz YMQLIMSLPHVNLY-SECBINFHSA-N 1 2 231.255 1.783 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc2c(n1)CCC2 ZINC000491339500 385365948 /nfs/dbraw/zinc/36/59/48/385365948.db2.gz QJYCBRUJMJJQBY-UHFFFAOYSA-N 1 2 224.307 1.639 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000408027968 385432584 /nfs/dbraw/zinc/43/25/84/385432584.db2.gz NCRQLMVXYPJPQW-GHMZBOCLSA-N 1 2 246.314 1.064 20 30 BDEDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(C#N)o1 ZINC000180802521 385547525 /nfs/dbraw/zinc/54/75/25/385547525.db2.gz JBRIBDORGBFGHK-UHFFFAOYSA-N 1 2 249.314 1.629 20 30 BDEDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)o1 ZINC000180802521 385547528 /nfs/dbraw/zinc/54/75/28/385547528.db2.gz JBRIBDORGBFGHK-UHFFFAOYSA-N 1 2 249.314 1.629 20 30 BDEDLO C#CC[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000182945531 533133814 /nfs/dbraw/zinc/13/38/14/533133814.db2.gz RLWITSIPPPIARI-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO C#CC[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000182945531 533133816 /nfs/dbraw/zinc/13/38/16/533133816.db2.gz RLWITSIPPPIARI-UHFFFAOYSA-N 1 2 211.305 1.673 20 30 BDEDLO CCN(CCCn1cc[nH+]c1)[C@H](C)C#N ZINC000595821634 385639202 /nfs/dbraw/zinc/63/92/02/385639202.db2.gz YCJRIUVLJFUKCQ-LLVKDONJSA-N 1 2 206.293 1.507 20 30 BDEDLO Cc1cc(NC[C@@](C)(O)C2CC2)c(C#N)c[nH+]1 ZINC000398986533 386320977 /nfs/dbraw/zinc/32/09/77/386320977.db2.gz HLOCADHYYVKSBX-CYBMUJFWSA-N 1 2 231.299 1.257 20 30 BDEDLO CC(C)CN1CC[N@H+](CCCCC#N)CC1=O ZINC000187087464 386331392 /nfs/dbraw/zinc/33/13/92/386331392.db2.gz YFPIMOPFTUOJCD-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO CC(C)CN1CC[N@@H+](CCCCC#N)CC1=O ZINC000187087464 386331398 /nfs/dbraw/zinc/33/13/98/386331398.db2.gz YFPIMOPFTUOJCD-UHFFFAOYSA-N 1 2 237.347 1.480 20 30 BDEDLO Cc1cc(N[C@@H](C)CCCO)c(C#N)c[nH+]1 ZINC000399205755 386450608 /nfs/dbraw/zinc/45/06/08/386450608.db2.gz VTALZYRXSHIGBE-VIFPVBQESA-N 1 2 219.288 1.257 20 30 BDEDLO CCC[C@H]1C[N@H+](CC2(C#N)CC2)CCO1 ZINC000347420460 386396491 /nfs/dbraw/zinc/39/64/91/386396491.db2.gz DKULHFATDOVUTK-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO CCC[C@H]1C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000347420460 386396495 /nfs/dbraw/zinc/39/64/95/386396495.db2.gz DKULHFATDOVUTK-NSHDSACASA-N 1 2 208.305 1.791 20 30 BDEDLO Cc1cc(NC[C@@]2(O)CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000398994219 386408041 /nfs/dbraw/zinc/40/80/41/386408041.db2.gz NLSAMKZZBDCXIF-HZMBPMFUSA-N 1 2 245.326 1.647 20 30 BDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000192224370 386487830 /nfs/dbraw/zinc/48/78/30/386487830.db2.gz NZLZRYOQURSSCB-ZDUSSCGKSA-N 1 2 244.338 1.993 20 30 BDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000192224370 386487832 /nfs/dbraw/zinc/48/78/32/386487832.db2.gz NZLZRYOQURSSCB-ZDUSSCGKSA-N 1 2 244.338 1.993 20 30 BDEDLO C=CC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000124055232 386590670 /nfs/dbraw/zinc/59/06/70/386590670.db2.gz AEPJLQBLMMTLRT-MRVPVSSYSA-N 1 2 217.276 1.740 20 30 BDEDLO CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](C)C#N ZINC000048694745 386591758 /nfs/dbraw/zinc/59/17/58/386591758.db2.gz XYYPERLLNBINCJ-JTQLQIEISA-N 1 2 225.336 1.383 20 30 BDEDLO CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H](C)C#N ZINC000048694745 386591764 /nfs/dbraw/zinc/59/17/64/386591764.db2.gz XYYPERLLNBINCJ-JTQLQIEISA-N 1 2 225.336 1.383 20 30 BDEDLO Cc1cc(NCCCC(C)(C)CO)c(C#N)c[nH+]1 ZINC000399010523 386548732 /nfs/dbraw/zinc/54/87/32/386548732.db2.gz XHPLRXIZVONUQR-UHFFFAOYSA-N 1 2 247.342 1.894 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000408420930 386566724 /nfs/dbraw/zinc/56/67/24/386566724.db2.gz BRENAIPJZHVZEC-WDEREUQCSA-N 1 2 246.314 1.064 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCOC1 ZINC000328803176 386629282 /nfs/dbraw/zinc/62/92/82/386629282.db2.gz CKJPEEGZZBSZJW-SNVBAGLBSA-N 1 2 237.303 1.488 20 30 BDEDLO O=C(NC[C@H](O)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328638653 386604099 /nfs/dbraw/zinc/60/40/99/386604099.db2.gz BQPLEEUDHZZNEQ-QWRGUYRKSA-N 1 2 249.314 1.173 20 30 BDEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)n(C)n1 ZINC000417756734 386671102 /nfs/dbraw/zinc/67/11/02/386671102.db2.gz AIDHWWZQIJIFAP-UHFFFAOYSA-N 1 2 232.331 1.854 20 30 BDEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)n(C)n1 ZINC000417756734 386671105 /nfs/dbraw/zinc/67/11/05/386671105.db2.gz AIDHWWZQIJIFAP-UHFFFAOYSA-N 1 2 232.331 1.854 20 30 BDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366556144 533186420 /nfs/dbraw/zinc/18/64/20/533186420.db2.gz GCZCLDWOLKVCMJ-CABCVRRESA-N 1 2 243.306 1.672 20 30 BDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366556144 533186421 /nfs/dbraw/zinc/18/64/21/533186421.db2.gz GCZCLDWOLKVCMJ-CABCVRRESA-N 1 2 243.306 1.672 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000647939269 386828035 /nfs/dbraw/zinc/82/80/35/386828035.db2.gz ICMUPXAIAVIEBE-LBPRGKRZSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC000647939269 386828041 /nfs/dbraw/zinc/82/80/41/386828041.db2.gz ICMUPXAIAVIEBE-LBPRGKRZSA-N 1 2 221.304 1.026 20 30 BDEDLO C=CCC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000647939269 386828048 /nfs/dbraw/zinc/82/80/48/386828048.db2.gz ICMUPXAIAVIEBE-LBPRGKRZSA-N 1 2 221.304 1.026 20 30 BDEDLO C=C1CC[NH+](Cc2cncnc2OC)CC1 ZINC000648006953 386840798 /nfs/dbraw/zinc/84/07/98/386840798.db2.gz JHMQBJOJJDCYLT-UHFFFAOYSA-N 1 2 219.288 1.637 20 30 BDEDLO C=C(Br)C[N@@H+](C)C[C@H](C)O ZINC000051822072 386869238 /nfs/dbraw/zinc/86/92/38/386869238.db2.gz JGHGOYKHBFPXJJ-ZETCQYMHSA-N 1 2 208.099 1.208 20 30 BDEDLO C=C(Br)C[N@H+](C)C[C@H](C)O ZINC000051822072 386869239 /nfs/dbraw/zinc/86/92/39/386869239.db2.gz JGHGOYKHBFPXJJ-ZETCQYMHSA-N 1 2 208.099 1.208 20 30 BDEDLO C#CC[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000051879855 386870452 /nfs/dbraw/zinc/87/04/52/386870452.db2.gz SGEYLADSXNZUJK-UHFFFAOYSA-N 1 2 221.329 1.207 20 30 BDEDLO C[C@H]1CCN(C(=O)CC#N)C[C@H]1n1cc[nH+]c1 ZINC000335748704 386873550 /nfs/dbraw/zinc/87/35/50/386873550.db2.gz BNYQCRUZUFOBTF-WDEREUQCSA-N 1 2 232.287 1.206 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000518998398 386982539 /nfs/dbraw/zinc/98/25/39/386982539.db2.gz JCWRRDHLUDRQGW-JLLWLGSASA-N 1 2 249.314 1.048 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000518998398 386982546 /nfs/dbraw/zinc/98/25/46/386982546.db2.gz JCWRRDHLUDRQGW-JLLWLGSASA-N 1 2 249.314 1.048 20 30 BDEDLO CO[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399546021 386993944 /nfs/dbraw/zinc/99/39/44/386993944.db2.gz YOOXISUCUNEYDW-GFCCVEGCSA-N 1 2 231.299 1.877 20 30 BDEDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399608081 387038840 /nfs/dbraw/zinc/03/88/40/387038840.db2.gz XHFCINRKWKEKAK-JTQLQIEISA-N 1 2 245.282 1.261 20 30 BDEDLO N#Cc1ccc(SCCn2cc[nH+]c2)nc1 ZINC000342201539 387056544 /nfs/dbraw/zinc/05/65/44/387056544.db2.gz MZUZJSXDVXOYEI-UHFFFAOYSA-N 1 2 230.296 1.942 20 30 BDEDLO CC[N@H+](CCN1CCCC1=O)C[C@H](C)C#N ZINC000066425073 387083585 /nfs/dbraw/zinc/08/35/85/387083585.db2.gz KJHVFLNXQNVZNS-LLVKDONJSA-N 1 2 223.320 1.090 20 30 BDEDLO CC[N@@H+](CCN1CCCC1=O)C[C@H](C)C#N ZINC000066425073 387083590 /nfs/dbraw/zinc/08/35/90/387083590.db2.gz KJHVFLNXQNVZNS-LLVKDONJSA-N 1 2 223.320 1.090 20 30 BDEDLO N#C[C@H]1CCC[C@H]([NH2+]CC(F)(F)CO)C1 ZINC000193296445 387191998 /nfs/dbraw/zinc/19/19/98/387191998.db2.gz PHJFATGCYIPYIJ-IUCAKERBSA-N 1 2 218.247 1.286 20 30 BDEDLO N#Cc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000237841190 387306782 /nfs/dbraw/zinc/30/67/82/387306782.db2.gz CRRVEKLZNRSOPF-UHFFFAOYSA-N 1 2 213.240 1.836 20 30 BDEDLO Cc1ccccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000515109663 387339023 /nfs/dbraw/zinc/33/90/23/387339023.db2.gz SNODAGHLOIBSDK-CQSZACIVSA-N 1 2 245.326 1.569 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1cccnc1C#N ZINC000130003086 387383222 /nfs/dbraw/zinc/38/32/22/387383222.db2.gz OTMZWOJYNCYEHL-UHFFFAOYSA-N 1 2 227.271 1.323 20 30 BDEDLO C=C(C)[C@@H](CC(=O)NCc1[nH]cc[nH+]1)OCC ZINC000270030436 387425355 /nfs/dbraw/zinc/42/53/55/387425355.db2.gz GWTMMWXKZIZWPY-SNVBAGLBSA-N 1 2 237.303 1.397 20 30 BDEDLO C=C1CC[NH+]([C@@H](C)C(=O)OCCC)CC1 ZINC000266008553 387403118 /nfs/dbraw/zinc/40/31/18/387403118.db2.gz QVSZJIIOXXMEEV-NSHDSACASA-N 1 2 211.305 1.980 20 30 BDEDLO C=C(Cl)C[N@H+]1CCn2nc(C)nc2C1 ZINC000267367517 387411327 /nfs/dbraw/zinc/41/13/27/387411327.db2.gz AZTWQLQKQCHYTA-UHFFFAOYSA-N 1 2 212.684 1.155 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000267367517 387411333 /nfs/dbraw/zinc/41/13/33/387411333.db2.gz AZTWQLQKQCHYTA-UHFFFAOYSA-N 1 2 212.684 1.155 20 30 BDEDLO Cc1c(C[NH2+]Cc2nc(C#N)cs2)cnn1C ZINC000352820957 387513898 /nfs/dbraw/zinc/51/38/98/387513898.db2.gz FJXVBCQCKZDEDL-UHFFFAOYSA-N 1 2 247.327 1.347 20 30 BDEDLO Cc1noc(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000352852886 387514146 /nfs/dbraw/zinc/51/41/46/387514146.db2.gz LIQGGRYFAWTQGT-UHFFFAOYSA-N 1 2 248.311 1.909 20 30 BDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1[nH]cc[nH+]1 ZINC000275869592 387515634 /nfs/dbraw/zinc/51/56/34/387515634.db2.gz YUSAGZAICYGGJY-LBPRGKRZSA-N 1 2 237.303 1.255 20 30 BDEDLO C=CCC1(C(=O)NCc2[nH+]ccn2C)CCC1 ZINC000277331552 387533280 /nfs/dbraw/zinc/53/32/80/387533280.db2.gz VLWVUINVFMFCGO-UHFFFAOYSA-N 1 2 233.315 1.783 20 30 BDEDLO CC#CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000277325029 387533676 /nfs/dbraw/zinc/53/36/76/387533676.db2.gz GBOOOZVTSRNHLG-UHFFFAOYSA-N 1 2 243.310 1.321 20 30 BDEDLO CC#CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000277455577 387535918 /nfs/dbraw/zinc/53/59/18/387535918.db2.gz OOUQBKPBHIVDGY-CQSZACIVSA-N 1 2 242.322 1.525 20 30 BDEDLO CC#CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000277455577 387535922 /nfs/dbraw/zinc/53/59/22/387535922.db2.gz OOUQBKPBHIVDGY-CQSZACIVSA-N 1 2 242.322 1.525 20 30 BDEDLO CC#CCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000274326135 387473240 /nfs/dbraw/zinc/47/32/40/387473240.db2.gz HQTFHUDQBLUZCQ-UHFFFAOYSA-N 1 2 205.261 1.220 20 30 BDEDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000104073385 387476514 /nfs/dbraw/zinc/47/65/14/387476514.db2.gz XFKKDMWARPHTRU-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000104073385 387476521 /nfs/dbraw/zinc/47/65/21/387476521.db2.gz XFKKDMWARPHTRU-UHFFFAOYSA-N 1 2 243.310 1.269 20 30 BDEDLO CC#CCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000274630831 387490222 /nfs/dbraw/zinc/49/02/22/387490222.db2.gz RHBPKTBRDCBTRJ-ZDUSSCGKSA-N 1 2 247.342 1.829 20 30 BDEDLO COc1ccc[nH+]c1N1CCC(C#N)CC1 ZINC000527535118 387628275 /nfs/dbraw/zinc/62/82/75/387628275.db2.gz ZUBIXHDCJBWWAK-UHFFFAOYSA-N 1 2 217.272 1.830 20 30 BDEDLO CSCCCNc1cc(C)[nH+]cc1C#N ZINC000399724982 387568038 /nfs/dbraw/zinc/56/80/38/387568038.db2.gz JUNRFZBBXGWYLM-UHFFFAOYSA-N 1 2 221.329 1.849 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376958269 387681398 /nfs/dbraw/zinc/68/13/98/387681398.db2.gz OXXARXQVAMHGMV-QWRGUYRKSA-N 1 2 246.314 1.064 20 30 BDEDLO C=CC[C@H](CO)CNc1[nH+]cccc1OC ZINC000527944484 387781730 /nfs/dbraw/zinc/78/17/30/387781730.db2.gz FDAMVWUEFQWOAS-JTQLQIEISA-N 1 2 222.288 1.687 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000171401520 387825696 /nfs/dbraw/zinc/82/56/96/387825696.db2.gz AAAVQJREZKZJOG-VIFPVBQESA-N 1 2 216.712 1.339 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000171401520 387825702 /nfs/dbraw/zinc/82/57/02/387825702.db2.gz AAAVQJREZKZJOG-VIFPVBQESA-N 1 2 216.712 1.339 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2c(C)n[nH]c2C)nn1 ZINC000424170807 387861302 /nfs/dbraw/zinc/86/13/02/387861302.db2.gz KSEPLLNGYJUXDU-UHFFFAOYSA-N 1 2 246.318 1.094 20 30 BDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccccn2)nn1 ZINC000424299233 387958240 /nfs/dbraw/zinc/95/82/40/387958240.db2.gz VFAUAEUYKDGJPN-NSHDSACASA-N 1 2 243.314 1.710 20 30 BDEDLO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CC(C)(C#N)C1 ZINC000453013018 387960114 /nfs/dbraw/zinc/96/01/14/387960114.db2.gz JKSVAMZZQCMOCY-JSGCOSHPSA-N 1 2 244.338 1.996 20 30 BDEDLO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CC(C)(C#N)C1 ZINC000453013012 387960657 /nfs/dbraw/zinc/96/06/57/387960657.db2.gz JKSVAMZZQCMOCY-GXTWGEPZSA-N 1 2 244.338 1.996 20 30 BDEDLO C=CCOCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000339003502 135051483 /nfs/dbraw/zinc/05/14/83/135051483.db2.gz NNJNOJPEEFVOEU-HFAKWTLXSA-N 1 2 231.361 1.030 20 30 BDEDLO C=CCOCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000339003502 135051486 /nfs/dbraw/zinc/05/14/86/135051486.db2.gz NNJNOJPEEFVOEU-HFAKWTLXSA-N 1 2 231.361 1.030 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C#N)CCC1 ZINC000083798307 388063989 /nfs/dbraw/zinc/06/39/89/388063989.db2.gz DLYNSUJDCYJSLN-UHFFFAOYSA-N 1 2 218.260 1.062 20 30 BDEDLO C=C(CC)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000454334201 388114617 /nfs/dbraw/zinc/11/46/17/388114617.db2.gz DOCCIHNVNBNMOC-NSHDSACASA-N 1 2 236.319 1.537 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncccc1C#N ZINC000042338271 388087246 /nfs/dbraw/zinc/08/72/46/388087246.db2.gz VWSNAPUNMVSITN-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO CC#CCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454725072 388131278 /nfs/dbraw/zinc/13/12/78/388131278.db2.gz CUDQNGUKKRTWDU-JTQLQIEISA-N 1 2 234.303 1.287 20 30 BDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC[C@H](C)C1 ZINC000490715223 388249829 /nfs/dbraw/zinc/24/98/29/388249829.db2.gz VIMNETFMULUCBR-AWEZNQCLSA-N 1 2 246.354 1.203 20 30 BDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC[C@H](C)C1 ZINC000490715223 388249831 /nfs/dbraw/zinc/24/98/31/388249831.db2.gz VIMNETFMULUCBR-AWEZNQCLSA-N 1 2 246.354 1.203 20 30 BDEDLO C#CCN(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000490892555 388257969 /nfs/dbraw/zinc/25/79/69/388257969.db2.gz LVWUGUYJCXPYKB-UHFFFAOYSA-N 1 2 231.299 1.607 20 30 BDEDLO C=C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000488857543 388197228 /nfs/dbraw/zinc/19/72/28/388197228.db2.gz QJHIPOGBHNRLHR-GFCCVEGCSA-N 1 2 233.315 1.840 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@H](CC)C1=O ZINC000491338021 388286641 /nfs/dbraw/zinc/28/66/41/388286641.db2.gz FRUZDAUJOUVVHO-MNOVXSKESA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@H](CC)C1=O ZINC000491338021 388286642 /nfs/dbraw/zinc/28/66/42/388286642.db2.gz FRUZDAUJOUVVHO-MNOVXSKESA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000491348677 388287120 /nfs/dbraw/zinc/28/71/20/388287120.db2.gz DVWUDOQMGIWWSR-LLVKDONJSA-N 1 2 233.315 1.127 20 30 BDEDLO C#CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1CC1 ZINC000491349443 388287403 /nfs/dbraw/zinc/28/74/03/388287403.db2.gz IHAXSVDRKXNCQW-UHFFFAOYSA-N 1 2 236.359 1.729 20 30 BDEDLO C#CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1CC1 ZINC000491349443 388287405 /nfs/dbraw/zinc/28/74/05/388287405.db2.gz IHAXSVDRKXNCQW-UHFFFAOYSA-N 1 2 236.359 1.729 20 30 BDEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC000491349823 388287507 /nfs/dbraw/zinc/28/75/07/388287507.db2.gz KJUMZNQUDDKVMP-GFCCVEGCSA-N 1 2 247.342 1.517 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)[C@H](C)C(=O)OCCCC ZINC000491404923 388292363 /nfs/dbraw/zinc/29/23/63/388292363.db2.gz FNPPNRYIPDASPP-GHMZBOCLSA-N 1 2 211.305 1.672 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)[C@H](C)C(=O)OCCCC ZINC000491404923 388292364 /nfs/dbraw/zinc/29/23/64/388292364.db2.gz FNPPNRYIPDASPP-GHMZBOCLSA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@@H+](CC(=O)NC(C1CC1)C1CC1)C1CC1 ZINC000491438261 388294477 /nfs/dbraw/zinc/29/44/77/388294477.db2.gz AYNOEYKHMADCII-UHFFFAOYSA-N 1 2 246.354 1.389 20 30 BDEDLO C#CC[N@H+](CC(=O)NC(C1CC1)C1CC1)C1CC1 ZINC000491438261 388294479 /nfs/dbraw/zinc/29/44/79/388294479.db2.gz AYNOEYKHMADCII-UHFFFAOYSA-N 1 2 246.354 1.389 20 30 BDEDLO C#CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000491628584 388306212 /nfs/dbraw/zinc/30/62/12/388306212.db2.gz NSQZWWAZAIDLAC-AATRIKPKSA-N 1 2 215.256 1.047 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000491656754 388308461 /nfs/dbraw/zinc/30/84/61/388308461.db2.gz IOVIJSSIINYGIY-GFCCVEGCSA-N 1 2 244.342 1.925 20 30 BDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000491656754 388308462 /nfs/dbraw/zinc/30/84/62/388308462.db2.gz IOVIJSSIINYGIY-GFCCVEGCSA-N 1 2 244.342 1.925 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000491699757 388312276 /nfs/dbraw/zinc/31/22/76/388312276.db2.gz SDAXISUAXQARMH-GJZGRUSLSA-N 1 2 245.322 1.444 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000491699757 388312277 /nfs/dbraw/zinc/31/22/77/388312277.db2.gz SDAXISUAXQARMH-GJZGRUSLSA-N 1 2 245.322 1.444 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)ncn1 ZINC000491701207 388312543 /nfs/dbraw/zinc/31/25/43/388312543.db2.gz KXEBIXOHNQYWCU-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cc(C)ncn1 ZINC000491701207 388312544 /nfs/dbraw/zinc/31/25/44/388312544.db2.gz KXEBIXOHNQYWCU-UHFFFAOYSA-N 1 2 213.284 1.244 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000491725386 388315013 /nfs/dbraw/zinc/31/50/13/388315013.db2.gz HRSIMGIBDQPPOS-JTQLQIEISA-N 1 2 230.315 1.756 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000491725386 388315014 /nfs/dbraw/zinc/31/50/14/388315014.db2.gz HRSIMGIBDQPPOS-JTQLQIEISA-N 1 2 230.315 1.756 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OCC)cc1 ZINC000491735666 388316278 /nfs/dbraw/zinc/31/62/78/388316278.db2.gz FZXVEGCNTWEIEW-CQSZACIVSA-N 1 2 245.322 1.919 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OCC)cc1 ZINC000491735666 388316279 /nfs/dbraw/zinc/31/62/79/388316279.db2.gz FZXVEGCNTWEIEW-CQSZACIVSA-N 1 2 245.322 1.919 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCc1ccccc1 ZINC000491750149 388317474 /nfs/dbraw/zinc/31/74/74/388317474.db2.gz HMAQYLFKHMQMRN-HNNXBMFYSA-N 1 2 229.323 1.953 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCc1ccccc1 ZINC000491750149 388317475 /nfs/dbraw/zinc/31/74/75/388317475.db2.gz HMAQYLFKHMQMRN-HNNXBMFYSA-N 1 2 229.323 1.953 20 30 BDEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000491752295 388317992 /nfs/dbraw/zinc/31/79/92/388317992.db2.gz WDYACOBNYXADLM-UONOGXRCSA-N 1 2 233.286 1.420 20 30 BDEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000491752295 388317993 /nfs/dbraw/zinc/31/79/93/388317993.db2.gz WDYACOBNYXADLM-UONOGXRCSA-N 1 2 233.286 1.420 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000491753438 388318209 /nfs/dbraw/zinc/31/82/09/388318209.db2.gz ODZXZHPSILZJFN-UHFFFAOYSA-N 1 2 212.655 1.939 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000491753438 388318210 /nfs/dbraw/zinc/31/82/10/388318210.db2.gz ODZXZHPSILZJFN-UHFFFAOYSA-N 1 2 212.655 1.939 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000490990199 388264246 /nfs/dbraw/zinc/26/42/46/388264246.db2.gz MKAZFUUTIVZRNT-UHFFFAOYSA-N 1 2 226.320 1.583 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491119796 388271230 /nfs/dbraw/zinc/27/12/30/388271230.db2.gz JSRZVPIUWVJWIO-UHFFFAOYSA-N 1 2 220.228 1.365 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491119796 388271231 /nfs/dbraw/zinc/27/12/31/388271231.db2.gz JSRZVPIUWVJWIO-UHFFFAOYSA-N 1 2 220.228 1.365 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C1CC1 ZINC000491232025 388278501 /nfs/dbraw/zinc/27/85/01/388278501.db2.gz XKIWXRWGLFMMLR-GFCCVEGCSA-N 1 2 234.343 1.343 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)C1CC1 ZINC000491232025 388278503 /nfs/dbraw/zinc/27/85/03/388278503.db2.gz XKIWXRWGLFMMLR-GFCCVEGCSA-N 1 2 234.343 1.343 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CCC#N ZINC000492300812 388340904 /nfs/dbraw/zinc/34/09/04/388340904.db2.gz RWDMWOSDOLLBFJ-AATRIKPKSA-N 1 2 232.287 1.288 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492413673 388344036 /nfs/dbraw/zinc/34/40/36/388344036.db2.gz YJVSMHDCFIVWGI-ZADCQDASSA-N 1 2 246.314 1.725 20 30 BDEDLO Cc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000572846438 388380561 /nfs/dbraw/zinc/38/05/61/388380561.db2.gz ZTMXPENMLHNNOU-CYBMUJFWSA-N 1 2 249.314 1.091 20 30 BDEDLO CCCCCNC(=O)C[NH2+][C@H](CC)CC#N ZINC000572897352 388385697 /nfs/dbraw/zinc/38/56/97/388385697.db2.gz IYIZNPZQUGRLIV-LLVKDONJSA-N 1 2 225.336 1.575 20 30 BDEDLO CC(C)CNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000405187214 388453783 /nfs/dbraw/zinc/45/37/83/388453783.db2.gz JSLLXRGDBLYNSV-UHFFFAOYSA-N 1 2 225.336 1.240 20 30 BDEDLO CC(C)CNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000405187214 388453787 /nfs/dbraw/zinc/45/37/87/388453787.db2.gz JSLLXRGDBLYNSV-UHFFFAOYSA-N 1 2 225.336 1.240 20 30 BDEDLO CCC[C@H](C#N)NC(=O)CCc1c[nH+]cn1C ZINC000525998805 388454242 /nfs/dbraw/zinc/45/42/42/388454242.db2.gz UGHMTHQBGHCSSE-SNVBAGLBSA-N 1 2 234.303 1.161 20 30 BDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172883516 388411497 /nfs/dbraw/zinc/41/14/97/388411497.db2.gz ZVTZUVBLOHNQBU-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000172883516 388411498 /nfs/dbraw/zinc/41/14/98/388411498.db2.gz ZVTZUVBLOHNQBU-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO C=CCN(CC=C)C(=O)Cc1c[nH+]cn1C ZINC000547927517 388495494 /nfs/dbraw/zinc/49/54/94/388495494.db2.gz CRVUTXIFBNNTTO-UHFFFAOYSA-N 1 2 219.288 1.163 20 30 BDEDLO C=CC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178240978 388496975 /nfs/dbraw/zinc/49/69/75/388496975.db2.gz GFLCESNBSAQZBI-VIFPVBQESA-N 1 2 222.254 1.741 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)C/C=C(/C)Cl)C1=O ZINC000528496423 388535226 /nfs/dbraw/zinc/53/52/26/388535226.db2.gz NZFCJYOXPIDUCQ-GULOHRGCSA-N 1 2 242.750 1.848 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)C/C=C(/C)Cl)C1=O ZINC000528496423 388535229 /nfs/dbraw/zinc/53/52/29/388535229.db2.gz NZFCJYOXPIDUCQ-GULOHRGCSA-N 1 2 242.750 1.848 20 30 BDEDLO N#C[C@H]1C[N@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000245801853 388605793 /nfs/dbraw/zinc/60/57/93/388605793.db2.gz XYCNFNWPIGCCKY-NEPJUHHUSA-N 1 2 206.289 1.567 20 30 BDEDLO N#C[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000245801853 388605796 /nfs/dbraw/zinc/60/57/96/388605796.db2.gz XYCNFNWPIGCCKY-NEPJUHHUSA-N 1 2 206.289 1.567 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CCCOC1 ZINC000356353569 388607394 /nfs/dbraw/zinc/60/73/94/388607394.db2.gz ZUKZQTICDFPMKV-JTQLQIEISA-N 1 2 237.328 1.626 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCCOC1 ZINC000356353569 388607397 /nfs/dbraw/zinc/60/73/97/388607397.db2.gz ZUKZQTICDFPMKV-JTQLQIEISA-N 1 2 237.328 1.626 20 30 BDEDLO CN(C)c1ccc(Nc2nccnc2C#N)c[nH+]1 ZINC000301148222 388609990 /nfs/dbraw/zinc/60/99/90/388609990.db2.gz BXEHMTALGXPBMB-UHFFFAOYSA-N 1 2 240.270 1.553 20 30 BDEDLO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000615652509 388581540 /nfs/dbraw/zinc/58/15/40/388581540.db2.gz YOTUEAUNCWYRHV-WOPDTQHZSA-N 1 2 226.295 1.739 20 30 BDEDLO C[C@@H]1C[C@@H](C[N@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000615652509 388581544 /nfs/dbraw/zinc/58/15/44/388581544.db2.gz YOTUEAUNCWYRHV-WOPDTQHZSA-N 1 2 226.295 1.739 20 30 BDEDLO C[NH2+]Cc1noc([C@@H](C)c2cccc(C#N)c2)n1 ZINC000414636853 388666143 /nfs/dbraw/zinc/66/61/43/388666143.db2.gz BDTPNBRNZFRPCW-VIFPVBQESA-N 1 2 242.282 1.812 20 30 BDEDLO N#Cc1csc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000358343590 388622148 /nfs/dbraw/zinc/62/21/48/388622148.db2.gz VNLIVIVJTLIENC-UHFFFAOYSA-N 1 2 245.263 1.395 20 30 BDEDLO Cc1ccc(C)c(C[NH+]2CC(O)(CC#N)C2)c1 ZINC000189541465 388636104 /nfs/dbraw/zinc/63/61/04/388636104.db2.gz KBIDZFJQGLHMBE-UHFFFAOYSA-N 1 2 230.311 1.764 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000530290095 388647417 /nfs/dbraw/zinc/64/74/17/388647417.db2.gz QEKZJSJTPWSFBX-JTQLQIEISA-N 1 2 246.314 1.493 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000530290095 388647421 /nfs/dbraw/zinc/64/74/21/388647421.db2.gz QEKZJSJTPWSFBX-JTQLQIEISA-N 1 2 246.314 1.493 20 30 BDEDLO C=CCC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000551945612 388648928 /nfs/dbraw/zinc/64/89/28/388648928.db2.gz NWBXNYFNTTXVOW-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ncn(C)n1 ZINC000275870685 388736929 /nfs/dbraw/zinc/73/69/29/388736929.db2.gz VILZHFJXMFPGSD-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000155109038 388749576 /nfs/dbraw/zinc/74/95/76/388749576.db2.gz FOQYWVGRIFCGMC-UHFFFAOYSA-N 1 2 249.314 1.451 20 30 BDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000155109038 388749579 /nfs/dbraw/zinc/74/95/79/388749579.db2.gz FOQYWVGRIFCGMC-UHFFFAOYSA-N 1 2 249.314 1.451 20 30 BDEDLO CCC[N@H+](CC(=O)OC)Cc1ccnc(C#N)c1 ZINC000068760500 388717094 /nfs/dbraw/zinc/71/70/94/388717094.db2.gz UDEMZMOJEXZUPN-UHFFFAOYSA-N 1 2 247.298 1.338 20 30 BDEDLO CCC[N@@H+](CC(=O)OC)Cc1ccnc(C#N)c1 ZINC000068760500 388717097 /nfs/dbraw/zinc/71/70/97/388717097.db2.gz UDEMZMOJEXZUPN-UHFFFAOYSA-N 1 2 247.298 1.338 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066844721 388723515 /nfs/dbraw/zinc/72/35/15/388723515.db2.gz UCGXRWYTOCEULN-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066844721 388723517 /nfs/dbraw/zinc/72/35/17/388723517.db2.gz UCGXRWYTOCEULN-UHFFFAOYSA-N 1 2 238.237 1.468 20 30 BDEDLO CC[N@@H+](Cc1ccc(CO)o1)C[C@@H](C)C#N ZINC000091983461 388778687 /nfs/dbraw/zinc/77/86/87/388778687.db2.gz MZSJMWFXSACZMK-JTQLQIEISA-N 1 2 222.288 1.753 20 30 BDEDLO CC[N@H+](Cc1ccc(CO)o1)C[C@@H](C)C#N ZINC000091983461 388778690 /nfs/dbraw/zinc/77/86/90/388778690.db2.gz MZSJMWFXSACZMK-JTQLQIEISA-N 1 2 222.288 1.753 20 30 BDEDLO COC(=O)[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000078779677 135395702 /nfs/dbraw/zinc/39/57/02/135395702.db2.gz XSBHDJYSVKNVDV-JTQLQIEISA-N 1 2 210.277 1.318 20 30 BDEDLO COC(=O)[C@@H]1CCCC[N@H+]1CCCC#N ZINC000078779677 135395703 /nfs/dbraw/zinc/39/57/03/135395703.db2.gz XSBHDJYSVKNVDV-JTQLQIEISA-N 1 2 210.277 1.318 20 30 BDEDLO N#CCC[NH2+]Cc1cccnc1OCC(F)F ZINC000564851621 388893937 /nfs/dbraw/zinc/89/39/37/388893937.db2.gz NUIWAMHAHCOJSK-UHFFFAOYSA-N 1 2 241.241 1.729 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C1CC1 ZINC000565180937 388922679 /nfs/dbraw/zinc/92/26/79/388922679.db2.gz KHKSZXZXDPZKIY-KCJUWKMLSA-N 1 2 232.287 1.007 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C1CC1 ZINC000565180937 388922676 /nfs/dbraw/zinc/92/26/76/388922676.db2.gz KHKSZXZXDPZKIY-KCJUWKMLSA-N 1 2 232.287 1.007 20 30 BDEDLO N#CCC[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000565828541 388971647 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/nfs/dbraw/zinc/85/81/39/397858139.db2.gz HEPBUKMUBLWISC-UHFFFAOYSA-N 1 2 213.284 1.391 20 30 BDEDLO CCC[N@H+](CC#N)C[C@@H](O)CCOCC ZINC000444640038 397942443 /nfs/dbraw/zinc/94/24/43/397942443.db2.gz MTSVVELAFATGBJ-NSHDSACASA-N 1 2 214.309 1.009 20 30 BDEDLO CCC[N@@H+](CC#N)C[C@@H](O)CCOCC ZINC000444640038 397942446 /nfs/dbraw/zinc/94/24/46/397942446.db2.gz MTSVVELAFATGBJ-NSHDSACASA-N 1 2 214.309 1.009 20 30 BDEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595623215 397993041 /nfs/dbraw/zinc/99/30/41/397993041.db2.gz JZCBVEYNELPBRR-JTQLQIEISA-N 1 2 219.292 1.239 20 30 BDEDLO Cc1nnc(C[N@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595623215 397993046 /nfs/dbraw/zinc/99/30/46/397993046.db2.gz JZCBVEYNELPBRR-JTQLQIEISA-N 1 2 219.292 1.239 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1cc(Br)cn1 ZINC000307415471 398103093 /nfs/dbraw/zinc/10/30/93/398103093.db2.gz IWCRLIVRUBPRRO-QMMMGPOBSA-N 1 2 242.120 1.557 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(Br)cn1 ZINC000307415471 398103096 /nfs/dbraw/zinc/10/30/96/398103096.db2.gz IWCRLIVRUBPRRO-QMMMGPOBSA-N 1 2 242.120 1.557 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCc1ccnn1C ZINC000292229445 398103630 /nfs/dbraw/zinc/10/36/30/398103630.db2.gz PMCFOQWICDBNPJ-UHFFFAOYSA-N 1 2 218.304 1.364 20 30 BDEDLO C=CC[N@H+](CCC#N)CCc1ccnn1C ZINC000292229445 398103633 /nfs/dbraw/zinc/10/36/33/398103633.db2.gz PMCFOQWICDBNPJ-UHFFFAOYSA-N 1 2 218.304 1.364 20 30 BDEDLO Cc1ccsc1[C@H](CO)[NH2+]CCC#N ZINC000569340394 398105483 /nfs/dbraw/zinc/10/54/83/398105483.db2.gz JTENWQRAYTZRLZ-VIFPVBQESA-N 1 2 210.302 1.593 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000192235015 398106984 /nfs/dbraw/zinc/10/69/84/398106984.db2.gz XWFMFHGEMYZQIG-LBPRGKRZSA-N 1 2 222.332 1.343 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000192235015 398106989 /nfs/dbraw/zinc/10/69/89/398106989.db2.gz XWFMFHGEMYZQIG-LBPRGKRZSA-N 1 2 222.332 1.343 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(CC(C)C)CC(C)C ZINC000192232145 398107471 /nfs/dbraw/zinc/10/74/71/398107471.db2.gz XNYWRGFYXJCESK-UHFFFAOYSA-N 1 2 238.375 1.692 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(CC(C)C)CC(C)C ZINC000192232145 398107472 /nfs/dbraw/zinc/10/74/72/398107472.db2.gz XNYWRGFYXJCESK-UHFFFAOYSA-N 1 2 238.375 1.692 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220174161 398108505 /nfs/dbraw/zinc/10/85/05/398108505.db2.gz VGXFUGPSOSMDNM-BXUZGUMPSA-N 1 2 243.310 1.683 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220174161 398108506 /nfs/dbraw/zinc/10/85/06/398108506.db2.gz VGXFUGPSOSMDNM-BXUZGUMPSA-N 1 2 243.310 1.683 20 30 BDEDLO Cc1cc(N[C@H]2C[C@@H]2C(F)F)c(C#N)c[nH+]1 ZINC000335077818 398097611 /nfs/dbraw/zinc/09/76/11/398097611.db2.gz DAULJLZEKSSRCO-WPRPVWTQSA-N 1 2 223.226 1.749 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccccn2)CCC1 ZINC000258707402 322875330 /nfs/dbraw/zinc/87/53/30/322875330.db2.gz SBDXMNJMGCEIOR-UHFFFAOYSA-N 1 2 201.273 1.865 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000685734084 487575164 /nfs/dbraw/zinc/57/51/64/487575164.db2.gz OHOSLFSMJOOLMX-CYBMUJFWSA-N 1 2 245.282 1.600 20 30 BDEDLO C#CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277491928 166149265 /nfs/dbraw/zinc/14/92/65/166149265.db2.gz QMTRIUZLPRDKAX-UHFFFAOYSA-N 1 2 216.288 1.512 20 30 BDEDLO C#CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277491928 166149268 /nfs/dbraw/zinc/14/92/68/166149268.db2.gz QMTRIUZLPRDKAX-UHFFFAOYSA-N 1 2 216.288 1.512 20 30 BDEDLO C#CCCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278921208 166129323 /nfs/dbraw/zinc/12/93/23/166129323.db2.gz LQFIGLCBARFBIC-UHFFFAOYSA-N 1 2 242.273 1.388 20 30 BDEDLO C#CCCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000278921208 166129326 /nfs/dbraw/zinc/12/93/26/166129326.db2.gz LQFIGLCBARFBIC-UHFFFAOYSA-N 1 2 242.273 1.388 20 30 BDEDLO C#CCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000270530872 166134970 /nfs/dbraw/zinc/13/49/70/166134970.db2.gz FMSGTASASXZSQB-UHFFFAOYSA-N 1 2 245.248 1.901 20 30 BDEDLO C#CCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000270530872 166134973 /nfs/dbraw/zinc/13/49/73/166134973.db2.gz FMSGTASASXZSQB-UHFFFAOYSA-N 1 2 245.248 1.901 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662358635 409671791 /nfs/dbraw/zinc/67/17/91/409671791.db2.gz CTYYRENHXANWOW-MWLCHTKSSA-N 1 2 217.259 1.754 20 30 BDEDLO CC#CC[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662358635 409671799 /nfs/dbraw/zinc/67/17/99/409671799.db2.gz CTYYRENHXANWOW-MWLCHTKSSA-N 1 2 217.259 1.754 20 30 BDEDLO Cc1cc(NC(=O)NCC2(C#N)CC2)cc[nH+]1 ZINC000559406976 410173806 /nfs/dbraw/zinc/17/38/06/410173806.db2.gz HCMILBHYDPGMPJ-UHFFFAOYSA-N 1 2 230.271 1.237 20 30 BDEDLO C=CCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000665944307 487615308 /nfs/dbraw/zinc/61/53/08/487615308.db2.gz LJTIXTXAJRESOI-UHFFFAOYSA-N 1 2 234.303 1.293 20 30 BDEDLO C=CC[N@H+](Cc1nccc(N)n1)[C@H](C)COC ZINC000661240056 410398853 /nfs/dbraw/zinc/39/88/53/410398853.db2.gz KYPYUWGAJXWPCM-SNVBAGLBSA-N 1 2 236.319 1.082 20 30 BDEDLO C=CC[N@@H+](Cc1nccc(N)n1)[C@H](C)COC ZINC000661240056 410398863 /nfs/dbraw/zinc/39/88/63/410398863.db2.gz KYPYUWGAJXWPCM-SNVBAGLBSA-N 1 2 236.319 1.082 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000192237876 166158349 /nfs/dbraw/zinc/15/83/49/166158349.db2.gz NUOGTCRFHXCPEN-UHFFFAOYSA-N 1 2 244.338 1.518 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000192237876 166158355 /nfs/dbraw/zinc/15/83/55/166158355.db2.gz NUOGTCRFHXCPEN-UHFFFAOYSA-N 1 2 244.338 1.518 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000192228683 166160287 /nfs/dbraw/zinc/16/02/87/166160287.db2.gz BBTMYNHFRNVWNA-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000192228683 166160289 /nfs/dbraw/zinc/16/02/89/166160289.db2.gz BBTMYNHFRNVWNA-LLVKDONJSA-N 1 2 246.310 1.587 20 30 BDEDLO C#CC[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177407755 166192730 /nfs/dbraw/zinc/19/27/30/166192730.db2.gz JGKYCTYGNNNSRD-LBPRGKRZSA-N 1 2 236.702 1.263 20 30 BDEDLO C#CCOc1ccccc1C[NH+]1CCOCC1 ZINC000154530773 166199931 /nfs/dbraw/zinc/19/99/31/166199931.db2.gz HDJGVBXZCKBIJS-UHFFFAOYSA-N 1 2 231.295 1.531 20 30 BDEDLO C=CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000276021947 166249752 /nfs/dbraw/zinc/24/97/52/166249752.db2.gz AYDDAEDBHAGYCC-UHFFFAOYSA-N 1 2 207.277 1.308 20 30 BDEDLO C=CCC[NH2+]c1ccc(OC)c(-n2cnnn2)c1 ZINC000266139036 166266502 /nfs/dbraw/zinc/26/65/02/166266502.db2.gz QDTMFNZWAXBCTL-UHFFFAOYSA-N 1 2 245.286 1.659 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000123862983 166297188 /nfs/dbraw/zinc/29/71/88/166297188.db2.gz IINZWHJADAPZKQ-LLVKDONJSA-N 1 2 226.345 1.902 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000123862983 166297189 /nfs/dbraw/zinc/29/71/89/166297189.db2.gz IINZWHJADAPZKQ-LLVKDONJSA-N 1 2 226.345 1.902 20 30 BDEDLO C=CCN(CCC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000293681585 166340055 /nfs/dbraw/zinc/34/00/55/166340055.db2.gz HFQKJZCNTAIVDJ-UHFFFAOYSA-N 1 2 232.287 1.271 20 30 BDEDLO C=CCN(CCC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000293681585 166340057 /nfs/dbraw/zinc/34/00/57/166340057.db2.gz HFQKJZCNTAIVDJ-UHFFFAOYSA-N 1 2 232.287 1.271 20 30 BDEDLO C=CC[N@@H+](Cc1ncnn1CCC)C1CC1 ZINC000279046874 166349851 /nfs/dbraw/zinc/34/98/51/166349851.db2.gz GUPABGOPUKEVDT-UHFFFAOYSA-N 1 2 220.320 1.839 20 30 BDEDLO C=CC[N@H+](Cc1ncnn1CCC)C1CC1 ZINC000279046874 166349854 /nfs/dbraw/zinc/34/98/54/166349854.db2.gz GUPABGOPUKEVDT-UHFFFAOYSA-N 1 2 220.320 1.839 20 30 BDEDLO C=CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156271881 166356170 /nfs/dbraw/zinc/35/61/70/166356170.db2.gz MWPUPIFKLAWAGZ-GFCCVEGCSA-N 1 2 216.284 1.346 20 30 BDEDLO C=CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156271881 166356172 /nfs/dbraw/zinc/35/61/72/166356172.db2.gz MWPUPIFKLAWAGZ-GFCCVEGCSA-N 1 2 216.284 1.346 20 30 BDEDLO C=CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000071873043 166378721 /nfs/dbraw/zinc/37/87/21/166378721.db2.gz AUVBCXIZDJAGGB-UHFFFAOYSA-N 1 2 244.298 1.362 20 30 BDEDLO N#CC[C@@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000591977457 411131938 /nfs/dbraw/zinc/13/19/38/411131938.db2.gz ZONVXAKVYXXMRP-CYBMUJFWSA-N 1 2 244.298 1.209 20 30 BDEDLO CC#CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652371399 411219916 /nfs/dbraw/zinc/21/99/16/411219916.db2.gz ZFQVMBXUSPWEHY-UHFFFAOYSA-N 1 2 245.326 1.244 20 30 BDEDLO C=CCC[C@H](CC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658157784 411271109 /nfs/dbraw/zinc/27/11/09/411271109.db2.gz DWNBNFQUTJVYOY-JTQLQIEISA-N 1 2 238.335 1.786 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nnc(C(C)C)s1 ZINC000662168538 411372337 /nfs/dbraw/zinc/37/23/37/411372337.db2.gz KIJYSBXMCMSOOM-MRVPVSSYSA-N 1 2 227.333 1.298 20 30 BDEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361579647 170265674 /nfs/dbraw/zinc/26/56/74/170265674.db2.gz SXTFQSMQZGYLIY-JTQLQIEISA-N 1 2 249.314 1.280 20 30 BDEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361579647 170265676 /nfs/dbraw/zinc/26/56/76/170265676.db2.gz SXTFQSMQZGYLIY-JTQLQIEISA-N 1 2 249.314 1.280 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cc(OC)ns1 ZINC000660404104 411579824 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/nfs/dbraw/zinc/12/68/66/412126866.db2.gz NGYZWCCRLVMCOF-NSHDSACASA-N 1 2 235.274 1.545 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)CC(C)(C)O ZINC000356134654 172923335 /nfs/dbraw/zinc/92/33/35/172923335.db2.gz YWWHSIJZOJFMJE-UHFFFAOYSA-N 1 2 225.317 1.217 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)CC(C)(C)O ZINC000356134654 172923340 /nfs/dbraw/zinc/92/33/40/172923340.db2.gz YWWHSIJZOJFMJE-UHFFFAOYSA-N 1 2 225.317 1.217 20 30 BDEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000087833089 175101237 /nfs/dbraw/zinc/10/12/37/175101237.db2.gz OMFJUJIPSOVXLL-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000087833089 175101239 /nfs/dbraw/zinc/10/12/39/175101239.db2.gz OMFJUJIPSOVXLL-NSHDSACASA-N 1 2 246.310 1.788 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296168753 176316745 /nfs/dbraw/zinc/31/67/45/176316745.db2.gz KYGOTXWHMQLDRR-GHMZBOCLSA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296168753 176316746 /nfs/dbraw/zinc/31/67/46/176316746.db2.gz KYGOTXWHMQLDRR-GHMZBOCLSA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296156993 176317264 /nfs/dbraw/zinc/31/72/64/176317264.db2.gz KDMGYERLCUFZFK-GHMZBOCLSA-N 1 2 243.310 1.440 20 30 BDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296156993 176317266 /nfs/dbraw/zinc/31/72/66/176317266.db2.gz KDMGYERLCUFZFK-GHMZBOCLSA-N 1 2 243.310 1.440 20 30 BDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C#N)oc1C ZINC000280736181 177529690 /nfs/dbraw/zinc/52/96/90/177529690.db2.gz WJTVYXLVQNIAHE-UHFFFAOYSA-N 1 2 244.254 1.421 20 30 BDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000497006281 226319966 /nfs/dbraw/zinc/31/99/66/226319966.db2.gz XODCYJQJKJXWBE-SNVBAGLBSA-N 1 2 237.303 1.063 20 30 BDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000497006281 226319967 /nfs/dbraw/zinc/31/99/67/226319967.db2.gz XODCYJQJKJXWBE-SNVBAGLBSA-N 1 2 237.303 1.063 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668854178 487665661 /nfs/dbraw/zinc/66/56/61/487665661.db2.gz CMUHCROJXPKDGV-UWVGGRQHSA-N 1 2 233.315 1.595 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668854178 487665666 /nfs/dbraw/zinc/66/56/66/487665666.db2.gz CMUHCROJXPKDGV-UWVGGRQHSA-N 1 2 233.315 1.595 20 30 BDEDLO Cc1cc(CNc2cc(C)[nH+]cc2C#N)n(C)n1 ZINC000399344355 262782491 /nfs/dbraw/zinc/78/24/91/262782491.db2.gz AQWFQZVFULILHE-UHFFFAOYSA-N 1 2 241.298 1.338 20 30 BDEDLO CCC[C@H](O)CNc1cc(C)[nH+]cc1C#N ZINC000398967497 266078631 /nfs/dbraw/zinc/07/86/31/266078631.db2.gz SGHTVFIIACZPNY-NSHDSACASA-N 1 2 219.288 1.257 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(=O)OC ZINC000839168179 585095762 /nfs/dbraw/zinc/09/57/62/585095762.db2.gz KCFVFVNEIPNBRP-GHMZBOCLSA-N 1 2 225.332 1.823 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)C(=O)OC ZINC000839168108 585095868 /nfs/dbraw/zinc/09/58/68/585095868.db2.gz JOBMJQJSOWKVDE-MXWKQRLJSA-N 1 2 209.289 1.330 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666259685 487772787 /nfs/dbraw/zinc/77/27/87/487772787.db2.gz NMTHZPFOFYYLQG-LLVKDONJSA-N 1 2 247.342 1.939 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666259685 487772792 /nfs/dbraw/zinc/77/27/92/487772792.db2.gz NMTHZPFOFYYLQG-LLVKDONJSA-N 1 2 247.342 1.939 20 30 BDEDLO C=C(C)CC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000681406883 487795011 /nfs/dbraw/zinc/79/50/11/487795011.db2.gz CCYGQPQPBYLDCW-UHFFFAOYSA-N 1 2 249.362 1.197 20 30 BDEDLO C#CCCCCCC(=O)NC1=[NH+]CCS1 ZINC000779782414 585762793 /nfs/dbraw/zinc/76/27/93/585762793.db2.gz IVFKYLAMCNLIIS-UHFFFAOYSA-N 1 2 224.329 1.789 20 30 BDEDLO CC#CCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000681538611 487811084 /nfs/dbraw/zinc/81/10/84/487811084.db2.gz GGEWJZVLVBAYHC-UHFFFAOYSA-N 1 2 246.314 1.130 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cnc(Cl)n1C ZINC000848901816 588418548 /nfs/dbraw/zinc/41/85/48/588418548.db2.gz DGGLHUPNYTYFEA-SSDOTTSWSA-N 1 2 212.684 1.323 20 30 BDEDLO C#CCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000852578770 588691545 /nfs/dbraw/zinc/69/15/45/588691545.db2.gz UNDAKWNUBRJHAU-NSHDSACASA-N 1 2 215.268 1.281 20 30 BDEDLO C=C(CC)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682033320 487884900 /nfs/dbraw/zinc/88/49/00/487884900.db2.gz DESSPQYGPARRHR-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO C=C(CC)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682033320 487884907 /nfs/dbraw/zinc/88/49/07/487884907.db2.gz DESSPQYGPARRHR-VIFPVBQESA-N 1 2 205.248 1.655 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)Nc1ccncc1C#N ZINC000562535980 323023361 /nfs/dbraw/zinc/02/33/61/323023361.db2.gz RGUMVWIDGBUSGC-JTQLQIEISA-N 1 2 241.298 1.765 20 30 BDEDLO COc1c(C)[nH+]c(C2CC2)nc1NCCCC#N ZINC000570225910 323053639 /nfs/dbraw/zinc/05/36/39/323053639.db2.gz DXVSREZNYAUSOF-UHFFFAOYSA-N 1 2 246.314 1.809 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(C#N)CCC1 ZINC000570341065 323056961 /nfs/dbraw/zinc/05/69/61/323056961.db2.gz ASDWVKKLKMHRLU-SNVBAGLBSA-N 1 2 246.314 1.493 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(C#N)CCC1 ZINC000570341065 323056962 /nfs/dbraw/zinc/05/69/62/323056962.db2.gz ASDWVKKLKMHRLU-SNVBAGLBSA-N 1 2 246.314 1.493 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000160356909 323065348 /nfs/dbraw/zinc/06/53/48/323065348.db2.gz PZYLUAAVAGCHAR-JTQLQIEISA-N 1 2 235.312 1.069 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000160356909 323065349 /nfs/dbraw/zinc/06/53/49/323065349.db2.gz PZYLUAAVAGCHAR-JTQLQIEISA-N 1 2 235.312 1.069 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccccc1F ZINC000491626753 323081483 /nfs/dbraw/zinc/08/14/83/323081483.db2.gz LVLZHJLZEJYBKM-ZDUSSCGKSA-N 1 2 233.286 1.702 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccccc1F ZINC000491626753 323081484 /nfs/dbraw/zinc/08/14/84/323081484.db2.gz LVLZHJLZEJYBKM-ZDUSSCGKSA-N 1 2 233.286 1.702 20 30 BDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)oc1C ZINC000563220735 323104575 /nfs/dbraw/zinc/10/45/75/323104575.db2.gz UHTMNLCBBZFHOD-CYBMUJFWSA-N 1 2 249.314 1.470 20 30 BDEDLO C[C@H](CC(F)F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000571050403 323105514 /nfs/dbraw/zinc/10/55/14/323105514.db2.gz PIYNWAVIUHTQEJ-KCJUWKMLSA-N 1 2 247.289 1.238 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cn1 ZINC000563367526 323121526 /nfs/dbraw/zinc/12/15/26/323121526.db2.gz PFISAGFCPYMOLV-NSHDSACASA-N 1 2 214.272 1.735 20 30 BDEDLO C=CC[C@@H](CO)CNc1nc(C)[nH+]cc1C ZINC000563428267 323125005 /nfs/dbraw/zinc/12/50/05/323125005.db2.gz VSLMRFRVUAOWSG-LLVKDONJSA-N 1 2 221.304 1.112 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC000571222503 323138434 /nfs/dbraw/zinc/13/84/34/323138434.db2.gz FZTPIFOIMMXCFL-QWRGUYRKSA-N 1 2 225.336 1.429 20 30 BDEDLO C=CCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000571567778 323148769 /nfs/dbraw/zinc/14/87/69/323148769.db2.gz CFPQFKMPJFIYKD-LBPRGKRZSA-N 1 2 223.320 1.303 20 30 BDEDLO N#CCN1CCC(Nc2cccc[nH+]2)CC1 ZINC000111727163 323163066 /nfs/dbraw/zinc/16/30/66/323163066.db2.gz XGYBBINWACSJJH-UHFFFAOYSA-N 1 2 216.288 1.481 20 30 BDEDLO CC(=O)Nc1ccc(C[NH2+]CCC#N)cn1 ZINC000563805851 323178037 /nfs/dbraw/zinc/17/80/37/323178037.db2.gz PWQFNGCXPIHVNY-UHFFFAOYSA-N 1 2 218.260 1.043 20 30 BDEDLO C[C@H](C#N)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563958770 323332014 /nfs/dbraw/zinc/33/20/14/323332014.db2.gz AWKJOXGOUZGYQV-NXEZZACHSA-N 1 2 220.276 1.205 20 30 BDEDLO CC#CCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667249198 487962066 /nfs/dbraw/zinc/96/20/66/487962066.db2.gz NXZMCJYAYGLXKC-JTQLQIEISA-N 1 2 234.303 1.146 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000121698366 324020199 /nfs/dbraw/zinc/02/01/99/324020199.db2.gz AFLCLDPCDUJJDK-NSHDSACASA-N 1 2 209.289 1.426 20 30 BDEDLO CC#CC[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000121698366 324020201 /nfs/dbraw/zinc/02/02/01/324020201.db2.gz AFLCLDPCDUJJDK-NSHDSACASA-N 1 2 209.289 1.426 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)CC[C@H](C)O)nn1 ZINC000653559739 487966100 /nfs/dbraw/zinc/96/61/00/487966100.db2.gz QJGKTNQYSNTBGO-NSHDSACASA-N 1 2 238.335 1.057 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)CC[C@H](C)O)nn1 ZINC000653559739 487966105 /nfs/dbraw/zinc/96/61/05/487966105.db2.gz QJGKTNQYSNTBGO-NSHDSACASA-N 1 2 238.335 1.057 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000131224682 325126765 /nfs/dbraw/zinc/12/67/65/325126765.db2.gz UNPGAWLUPSCDJF-WCQYABFASA-N 1 2 241.331 1.245 20 30 BDEDLO C#CCN(CC#C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000075400275 325295187 /nfs/dbraw/zinc/29/51/87/325295187.db2.gz LOGMAOAZKGEEFV-UHFFFAOYSA-N 1 2 237.262 1.043 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000076185596 325335267 /nfs/dbraw/zinc/33/52/67/325335267.db2.gz JEBOLKDRUSBBOU-ZIAGYGMSSA-N 1 2 246.354 1.059 20 30 BDEDLO C=CCCC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000134679569 325371417 /nfs/dbraw/zinc/37/14/17/325371417.db2.gz GDWPWXIZLGODFO-UHFFFAOYSA-N 1 2 237.328 1.995 20 30 BDEDLO C=CCN(C(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000564841571 325814886 /nfs/dbraw/zinc/81/48/86/325814886.db2.gz OMCCDCDKCPXXJL-SNVBAGLBSA-N 1 2 237.328 1.320 20 30 BDEDLO CCc1cc(CNc2cc(C)[nH+]cc2C#N)on1 ZINC000566135847 326001638 /nfs/dbraw/zinc/00/16/38/326001638.db2.gz IWBXOSUOBSKJNY-UHFFFAOYSA-N 1 2 242.282 1.846 20 30 BDEDLO COc1cccc(OCC[N@H+](C)CCC#N)c1 ZINC000155248177 326190330 /nfs/dbraw/zinc/19/03/30/326190330.db2.gz RLQSXEMHUUKLPU-UHFFFAOYSA-N 1 2 234.299 1.919 20 30 BDEDLO COc1cccc(OCC[N@@H+](C)CCC#N)c1 ZINC000155248177 326190332 /nfs/dbraw/zinc/19/03/32/326190332.db2.gz RLQSXEMHUUKLPU-UHFFFAOYSA-N 1 2 234.299 1.919 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(CC)[nH]1)C1CCCC1 ZINC000158891801 326345308 /nfs/dbraw/zinc/34/53/08/326345308.db2.gz MEQMNZVFKHGWPR-UHFFFAOYSA-N 1 2 232.331 1.745 20 30 BDEDLO C#CC[N@H+](Cc1nnc(CC)[nH]1)C1CCCC1 ZINC000158891801 326345309 /nfs/dbraw/zinc/34/53/09/326345309.db2.gz MEQMNZVFKHGWPR-UHFFFAOYSA-N 1 2 232.331 1.745 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC000569138210 326392611 /nfs/dbraw/zinc/39/26/11/326392611.db2.gz SZUXYMIQDJWWSM-JTQLQIEISA-N 1 2 249.318 1.247 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1(C)CC1 ZINC000569226910 326396110 /nfs/dbraw/zinc/39/61/10/326396110.db2.gz PSATVJOTPMOCLD-LBPRGKRZSA-N 1 2 223.320 1.137 20 30 BDEDLO COCC#CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000677132978 487979494 /nfs/dbraw/zinc/97/94/94/487979494.db2.gz BKJIPPQNQLTPPS-GFCCVEGCSA-N 1 2 233.315 1.239 20 30 BDEDLO COCC#CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000677132978 487979497 /nfs/dbraw/zinc/97/94/97/487979497.db2.gz BKJIPPQNQLTPPS-GFCCVEGCSA-N 1 2 233.315 1.239 20 30 BDEDLO CC#CCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081042 488067390 /nfs/dbraw/zinc/06/73/90/488067390.db2.gz MEYMZLJOPQNOGG-UHFFFAOYSA-N 1 2 246.314 1.104 20 30 BDEDLO C=C[C@H](O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000667652818 488075445 /nfs/dbraw/zinc/07/54/45/488075445.db2.gz KEKIMQRIOVRTJX-ZJUUUORDSA-N 1 2 235.287 1.010 20 30 BDEDLO COCC#CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000677817535 488131049 /nfs/dbraw/zinc/13/10/49/488131049.db2.gz PLMOSSNVJIHYTF-OAHLLOKOSA-N 1 2 245.322 1.710 20 30 BDEDLO COCC#CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000677817535 488131053 /nfs/dbraw/zinc/13/10/53/488131053.db2.gz PLMOSSNVJIHYTF-OAHLLOKOSA-N 1 2 245.322 1.710 20 30 BDEDLO COCC#CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000677817534 488131334 /nfs/dbraw/zinc/13/13/34/488131334.db2.gz PLMOSSNVJIHYTF-HNNXBMFYSA-N 1 2 245.322 1.710 20 30 BDEDLO COCC#CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000677817534 488131337 /nfs/dbraw/zinc/13/13/37/488131337.db2.gz PLMOSSNVJIHYTF-HNNXBMFYSA-N 1 2 245.322 1.710 20 30 BDEDLO C=CC(C)(C)CNC(=O)NCc1c[nH+]cn1C ZINC000454984326 487499396 /nfs/dbraw/zinc/49/93/96/487499396.db2.gz CCDKYCGGOXHZNL-UHFFFAOYSA-N 1 2 236.319 1.432 20 30 BDEDLO COCC#CC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000677820128 487518087 /nfs/dbraw/zinc/51/80/87/487518087.db2.gz GZQQLRLFQSYYRA-OAHLLOKOSA-N 1 2 245.322 1.710 20 30 BDEDLO COCC#CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000677820128 487518091 /nfs/dbraw/zinc/51/80/91/487518091.db2.gz GZQQLRLFQSYYRA-OAHLLOKOSA-N 1 2 245.322 1.710 20 30 BDEDLO COCC#CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000677888516 488148041 /nfs/dbraw/zinc/14/80/41/488148041.db2.gz VTKVLDVQIQKOSR-UHFFFAOYSA-N 1 2 242.278 1.901 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000678049115 488186693 /nfs/dbraw/zinc/18/66/93/488186693.db2.gz DWYZTFPIPXVEDU-WCQYABFASA-N 1 2 237.299 1.590 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000678049115 488186696 /nfs/dbraw/zinc/18/66/96/488186696.db2.gz DWYZTFPIPXVEDU-WCQYABFASA-N 1 2 237.299 1.590 20 30 BDEDLO C=CCCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000684139719 488269291 /nfs/dbraw/zinc/26/92/91/488269291.db2.gz QACXUPJGTXOARE-UHFFFAOYSA-N 1 2 248.330 1.683 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000679219745 488318485 /nfs/dbraw/zinc/31/84/85/488318485.db2.gz TTYFVSWSXZOSJL-UHFFFAOYSA-N 1 2 207.277 1.955 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000679219745 488318487 /nfs/dbraw/zinc/31/84/87/488318487.db2.gz TTYFVSWSXZOSJL-UHFFFAOYSA-N 1 2 207.277 1.955 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000890548025 582470343 /nfs/dbraw/zinc/47/03/43/582470343.db2.gz JABQAPLKCRFUNB-JTQLQIEISA-N 1 2 205.261 1.129 20 30 BDEDLO C=CC[C@H](CO)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000340899747 534381633 /nfs/dbraw/zinc/38/16/33/534381633.db2.gz QJZOKADECUQMLV-JTQLQIEISA-N 1 2 246.314 1.285 20 30 BDEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336499625 534491756 /nfs/dbraw/zinc/49/17/56/534491756.db2.gz DWLPQXMSFFBMSK-NXEZZACHSA-N 1 2 234.303 1.072 20 30 BDEDLO N#CCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492895136 534592316 /nfs/dbraw/zinc/59/23/16/534592316.db2.gz HUUGDWARWKOSPN-OWOJBTEDSA-N 1 2 244.298 1.575 20 30 BDEDLO CC(C)(C)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371328196 534604657 /nfs/dbraw/zinc/60/46/57/534604657.db2.gz SUALZNZYINUXEP-LBPRGKRZSA-N 1 2 221.348 1.705 20 30 BDEDLO CC(C)(C)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371328196 534604664 /nfs/dbraw/zinc/60/46/64/534604664.db2.gz SUALZNZYINUXEP-LBPRGKRZSA-N 1 2 221.348 1.705 20 30 BDEDLO C=CCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378204515 534623792 /nfs/dbraw/zinc/62/37/92/534623792.db2.gz WEBCEDJCKZVDJF-SECBINFHSA-N 1 2 219.288 1.349 20 30 BDEDLO C=CCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378204515 534623798 /nfs/dbraw/zinc/62/37/98/534623798.db2.gz WEBCEDJCKZVDJF-SECBINFHSA-N 1 2 219.288 1.349 20 30 BDEDLO C=CCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000359214047 534647803 /nfs/dbraw/zinc/64/78/03/534647803.db2.gz PJGKQQNTVNCYAT-UHFFFAOYSA-N 1 2 207.277 1.724 20 30 BDEDLO C=C[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336499626 534650075 /nfs/dbraw/zinc/65/00/75/534650075.db2.gz DWLPQXMSFFBMSK-UWVGGRQHSA-N 1 2 234.303 1.072 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335550582 534655287 /nfs/dbraw/zinc/65/52/87/534655287.db2.gz ZSWKNYCFBBXTLV-VHSXEESVSA-N 1 2 219.288 1.136 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000337229464 534697090 /nfs/dbraw/zinc/69/70/90/534697090.db2.gz HQZNFVDWZVEVGI-JTQLQIEISA-N 1 2 236.319 1.676 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000337229464 534697096 /nfs/dbraw/zinc/69/70/96/534697096.db2.gz HQZNFVDWZVEVGI-JTQLQIEISA-N 1 2 236.319 1.676 20 30 BDEDLO C=CCCc1csc([C@H]2COCC[NH2+]2)n1 ZINC000261542966 534806968 /nfs/dbraw/zinc/80/69/68/534806968.db2.gz HJGMCTKYYCYUQL-SNVBAGLBSA-N 1 2 224.329 1.923 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)OC ZINC000361115389 534880612 /nfs/dbraw/zinc/88/06/12/534880612.db2.gz XDXIGOKYTLBXRY-UTUOFQBUSA-N 1 2 241.331 1.509 20 30 BDEDLO CC#CCN(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000493387490 526343467 /nfs/dbraw/zinc/34/34/67/526343467.db2.gz NRVNMXOIHLXWSM-BQYQJAHWSA-N 1 2 231.299 1.398 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCCC[C@H]1C)C1CC1 ZINC000491623337 526883727 /nfs/dbraw/zinc/88/37/27/526883727.db2.gz HVTLSZHODGYORP-GFCCVEGCSA-N 1 2 234.343 1.485 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCCC[C@H]1C)C1CC1 ZINC000491623337 526883731 /nfs/dbraw/zinc/88/37/31/526883731.db2.gz HVTLSZHODGYORP-GFCCVEGCSA-N 1 2 234.343 1.485 20 30 BDEDLO C=CCSCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857256 526980723 /nfs/dbraw/zinc/98/07/23/526980723.db2.gz CXKGFMJUNJATIW-ARJAWSKDSA-N 1 2 237.328 1.458 20 30 BDEDLO C=CCCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488409676 527195245 /nfs/dbraw/zinc/19/52/45/527195245.db2.gz JNYXRUWTEQRXLH-UHFFFAOYSA-N 1 2 235.335 1.648 20 30 BDEDLO C=CCCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488409676 527195250 /nfs/dbraw/zinc/19/52/50/527195250.db2.gz JNYXRUWTEQRXLH-UHFFFAOYSA-N 1 2 235.335 1.648 20 30 BDEDLO C#C[C@@H]([NH2+][C@H](CCCC)C(=O)OC)C(C)C ZINC000300936510 527294994 /nfs/dbraw/zinc/29/49/94/527294994.db2.gz OHFFWTBFIMENLL-VXGBXAGGSA-N 1 2 225.332 1.966 20 30 BDEDLO C#C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)C ZINC000491714888 527382225 /nfs/dbraw/zinc/38/22/25/527382225.db2.gz IAEGIQNCGDLTOE-NSHDSACASA-N 1 2 222.332 1.102 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](CCCC)C(=O)OC)C(C)C ZINC000300936509 527412788 /nfs/dbraw/zinc/41/27/88/527412788.db2.gz OHFFWTBFIMENLL-RYUDHWBXSA-N 1 2 225.332 1.966 20 30 BDEDLO C/C=C/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493323083 527609698 /nfs/dbraw/zinc/60/96/98/527609698.db2.gz OCZWHWZPAGROSN-CKXGICACSA-N 1 2 221.304 1.079 20 30 BDEDLO CC(C)(CCC#N)CNC(=O)Cn1cc[nH+]c1 ZINC000360611474 535000204 /nfs/dbraw/zinc/00/02/04/535000204.db2.gz NFLVVLQFJGCHFG-UHFFFAOYSA-N 1 2 234.303 1.329 20 30 BDEDLO CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000249801748 535062189 /nfs/dbraw/zinc/06/21/89/535062189.db2.gz NIGCISCWYCXPGV-VXGBXAGGSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000249801748 535062198 /nfs/dbraw/zinc/06/21/98/535062198.db2.gz NIGCISCWYCXPGV-VXGBXAGGSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000249801745 535066843 /nfs/dbraw/zinc/06/68/43/535066843.db2.gz NIGCISCWYCXPGV-NEPJUHHUSA-N 1 2 239.363 1.773 20 30 BDEDLO CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000249801745 535066848 /nfs/dbraw/zinc/06/68/48/535066848.db2.gz NIGCISCWYCXPGV-NEPJUHHUSA-N 1 2 239.363 1.773 20 30 BDEDLO CCC[N@H+](CCCC#N)CC(=O)OCC ZINC000049947394 535329336 /nfs/dbraw/zinc/32/93/36/535329336.db2.gz NTNCPJGEBMQSAI-UHFFFAOYSA-N 1 2 212.293 1.565 20 30 BDEDLO CCC[N@@H+](CCCC#N)CC(=O)OCC ZINC000049947394 535329338 /nfs/dbraw/zinc/32/93/38/535329338.db2.gz NTNCPJGEBMQSAI-UHFFFAOYSA-N 1 2 212.293 1.565 20 30 BDEDLO CC[C@@H](C(=O)OC)[NH+]1CCC(C#N)CC1 ZINC000145646293 535442980 /nfs/dbraw/zinc/44/29/80/535442980.db2.gz GNBJLUANXREJNZ-JTQLQIEISA-N 1 2 210.277 1.174 20 30 BDEDLO C[N@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000166288396 536299756 /nfs/dbraw/zinc/29/97/56/536299756.db2.gz CAHFJESSDQXNLK-UHFFFAOYSA-N 1 2 204.273 1.524 20 30 BDEDLO C[N@@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000166288396 536299760 /nfs/dbraw/zinc/29/97/60/536299760.db2.gz CAHFJESSDQXNLK-UHFFFAOYSA-N 1 2 204.273 1.524 20 30 BDEDLO N#Cc1cc(NCCCn2cc[nH+]c2)ccn1 ZINC000061811632 566292931 /nfs/dbraw/zinc/29/29/31/566292931.db2.gz DMRUQQAWNZXCQO-UHFFFAOYSA-N 1 2 227.271 1.652 20 30 BDEDLO C#Cc1cccnc1NCC[N@H+]1CCOC[C@@H]1C 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/nfs/dbraw/zinc/74/66/45/588746645.db2.gz VBXVXZWPLVVPHN-LLVKDONJSA-N 1 2 210.321 1.566 20 30 BDEDLO C=CC[N@H+](C)CN1CC[C@H](C(C)C)C1=O ZINC000853507607 588746646 /nfs/dbraw/zinc/74/66/46/588746646.db2.gz VBXVXZWPLVVPHN-LLVKDONJSA-N 1 2 210.321 1.566 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853509490 588746798 /nfs/dbraw/zinc/74/67/98/588746798.db2.gz WVIRDCVROLFBAF-NEPJUHHUSA-N 1 2 222.332 1.402 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853509490 588746799 /nfs/dbraw/zinc/74/67/99/588746799.db2.gz WVIRDCVROLFBAF-NEPJUHHUSA-N 1 2 222.332 1.402 20 30 BDEDLO C=CC[N@H+](CN1CC[C@H](C)C1=O)[C@@H](C)COC ZINC000853534575 588748103 /nfs/dbraw/zinc/74/81/03/588748103.db2.gz KAYYZLPIFJVSGO-RYUDHWBXSA-N 1 2 240.347 1.335 20 30 BDEDLO C=CC[N@@H+](CN1CC[C@H](C)C1=O)[C@@H](C)COC ZINC000853534575 588748104 /nfs/dbraw/zinc/74/81/04/588748104.db2.gz KAYYZLPIFJVSGO-RYUDHWBXSA-N 1 2 240.347 1.335 20 30 BDEDLO C#C[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 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588823141 /nfs/dbraw/zinc/82/31/41/588823141.db2.gz QWPQWRWPEACFBX-UHFFFAOYSA-N 1 2 229.230 1.580 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000890554221 582474072 /nfs/dbraw/zinc/47/40/72/582474072.db2.gz KZPPHNPMBABUES-VXGBXAGGSA-N 1 2 245.326 1.623 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000890554821 582474089 /nfs/dbraw/zinc/47/40/89/582474089.db2.gz XPPAXPPFAXAJQZ-JTQLQIEISA-N 1 2 205.261 1.060 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000890655870 582494878 /nfs/dbraw/zinc/49/48/78/582494878.db2.gz RHVYKPXFXQQURG-LBPRGKRZSA-N 1 2 245.326 1.529 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000890885006 582586449 /nfs/dbraw/zinc/58/64/49/582586449.db2.gz CLAGLOOEMPZXPW-OBJOEFQTSA-N 1 2 249.358 1.383 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000890885007 582586498 /nfs/dbraw/zinc/58/64/98/582586498.db2.gz CLAGLOOEMPZXPW-SGMGOOAPSA-N 1 2 249.358 1.383 20 30 BDEDLO Cc1[nH]c(C(=O)NCC#C[C@H]2CCCCO2)c[nH+]1 ZINC000891126917 582613547 /nfs/dbraw/zinc/61/35/47/582613547.db2.gz OHWYFWGGVPSRSC-LLVKDONJSA-N 1 2 247.298 1.020 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000891267038 582646054 /nfs/dbraw/zinc/64/60/54/582646054.db2.gz ZZWOVXWCRKQXQN-SNVBAGLBSA-N 1 2 233.315 1.526 20 30 BDEDLO C=CC(C)(C)NC(=O)CCCn1cc[nH+]c1 ZINC000891269738 582649354 /nfs/dbraw/zinc/64/93/54/582649354.db2.gz PVANGZMDGHXNRX-UHFFFAOYSA-N 1 2 221.304 1.744 20 30 BDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891729618 582714732 /nfs/dbraw/zinc/71/47/32/582714732.db2.gz UKAQIBJYJYAZLJ-LLVKDONJSA-N 1 2 249.339 1.330 20 30 BDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000891729618 582714733 /nfs/dbraw/zinc/71/47/33/582714733.db2.gz UKAQIBJYJYAZLJ-LLVKDONJSA-N 1 2 249.339 1.330 20 30 BDEDLO COCCN(CCC#N)Cc1[nH+]ccn1C1CC1 ZINC000891937187 582741381 /nfs/dbraw/zinc/74/13/81/582741381.db2.gz ALINEEXXIFBKGX-UHFFFAOYSA-N 1 2 248.330 1.580 20 30 BDEDLO C#CC[NH+](CC#C)Cc1csc(C#N)c1 ZINC000892059003 582778952 /nfs/dbraw/zinc/77/89/52/582778952.db2.gz QZKGJDMPQWJCFD-UHFFFAOYSA-N 1 2 214.293 1.688 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c2c(nn1C)CCC2 ZINC000892068060 582784165 /nfs/dbraw/zinc/78/41/65/582784165.db2.gz DEKAYVBWWDKXEL-UHFFFAOYSA-N 1 2 241.338 1.367 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c2c(nn1C)CCC2 ZINC000892068060 582784166 /nfs/dbraw/zinc/78/41/66/582784166.db2.gz DEKAYVBWWDKXEL-UHFFFAOYSA-N 1 2 241.338 1.367 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(F)c(C)c1 ZINC000892069110 582784514 /nfs/dbraw/zinc/78/45/14/582784514.db2.gz XQTOCSSPZARTPH-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cnc(F)c(C)c1 ZINC000892069110 582784516 /nfs/dbraw/zinc/78/45/16/582784516.db2.gz XQTOCSSPZARTPH-UHFFFAOYSA-N 1 2 230.286 1.988 20 30 BDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H](C)C#N ZINC000856076153 588859879 /nfs/dbraw/zinc/85/98/79/588859879.db2.gz VWHKMEBGYFGOAH-JTQLQIEISA-N 1 2 242.282 1.708 20 30 BDEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)c1[nH+]ccn1C ZINC000856281578 588866878 /nfs/dbraw/zinc/86/68/78/588866878.db2.gz PMYRXRMPVBOWMT-MRVPVSSYSA-N 1 2 244.254 1.376 20 30 BDEDLO C=CCCOCCNc1cc(NC)nc[nH+]1 ZINC000892994480 583026077 /nfs/dbraw/zinc/02/60/77/583026077.db2.gz YCBJPEIMXWRBPS-UHFFFAOYSA-N 1 2 222.292 1.523 20 30 BDEDLO CC(C)n1cc[nH+]c1CN=Nc1ncc(F)cn1 ZINC000853325177 583033376 /nfs/dbraw/zinc/03/33/76/583033376.db2.gz IJECHKWMKMHLCY-UHFFFAOYSA-N 1 2 248.265 1.839 20 30 BDEDLO C=CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H](C)COC ZINC000855374698 583101290 /nfs/dbraw/zinc/10/12/90/583101290.db2.gz AMSCFUCVNRBHAE-SNVBAGLBSA-N 1 2 237.303 1.002 20 30 BDEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000856861350 588879355 /nfs/dbraw/zinc/87/93/55/588879355.db2.gz VCNZJZQYIWCWTB-SNVBAGLBSA-N 1 2 234.303 1.545 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961791 583256309 /nfs/dbraw/zinc/25/63/09/583256309.db2.gz JAHSWEOYVLRZEI-VIFPVBQESA-N 1 2 244.298 1.860 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961791 583256312 /nfs/dbraw/zinc/25/63/12/583256312.db2.gz JAHSWEOYVLRZEI-VIFPVBQESA-N 1 2 244.298 1.860 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000894067602 583293501 /nfs/dbraw/zinc/29/35/01/583293501.db2.gz NHEPLGJHBWWBJK-BDAKNGLRSA-N 1 2 247.302 1.087 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000894067602 583293502 /nfs/dbraw/zinc/29/35/02/583293502.db2.gz NHEPLGJHBWWBJK-BDAKNGLRSA-N 1 2 247.302 1.087 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000332744812 583300665 /nfs/dbraw/zinc/30/06/65/583300665.db2.gz DHKOHTYADYHRPQ-PWSUYJOCSA-N 1 2 246.314 1.161 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894366810 583438605 /nfs/dbraw/zinc/43/86/05/583438605.db2.gz OVWVEWCLOUQIRE-QWRGUYRKSA-N 1 2 234.299 1.321 20 30 BDEDLO Cc1ccnc(N)c1C[NH2+]C[C@@H](C)C#N ZINC000894453728 583462041 /nfs/dbraw/zinc/46/20/41/583462041.db2.gz XDAAYTMLDVMCGZ-QMMMGPOBSA-N 1 2 204.277 1.222 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1csc(C#N)c1 ZINC000894493097 583473912 /nfs/dbraw/zinc/47/39/12/583473912.db2.gz SLUAZKNPXZURLK-SECBINFHSA-N 1 2 249.339 1.330 20 30 BDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1csc(C#N)c1 ZINC000894493097 583473915 /nfs/dbraw/zinc/47/39/15/583473915.db2.gz SLUAZKNPXZURLK-SECBINFHSA-N 1 2 249.339 1.330 20 30 BDEDLO C(#Cc1ccccc1)C[NH2+][C@@H]1CCn2ccnc21 ZINC000894668198 583503178 /nfs/dbraw/zinc/50/31/78/583503178.db2.gz LDAGCFJMIUHNMA-CQSZACIVSA-N 1 2 237.306 1.969 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C[C@H]1CO ZINC000880485847 583544153 /nfs/dbraw/zinc/54/41/53/583544153.db2.gz IGWZPUMSRWJXOV-ZDUSSCGKSA-N 1 2 232.258 1.430 20 30 BDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C[C@H]1CO ZINC000880485847 583544156 /nfs/dbraw/zinc/54/41/56/583544156.db2.gz IGWZPUMSRWJXOV-ZDUSSCGKSA-N 1 2 232.258 1.430 20 30 BDEDLO COCCON=C1CCN(c2cccc[nH+]2)CC1 ZINC000748790916 583549704 /nfs/dbraw/zinc/54/97/04/583549704.db2.gz CEULBJRCIZPKHX-UHFFFAOYSA-N 1 2 249.314 1.701 20 30 BDEDLO Cc1ccoc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065937 583577795 /nfs/dbraw/zinc/57/77/95/583577795.db2.gz JSJKXNVPBCEHFX-UHFFFAOYSA-N 1 2 247.298 1.146 20 30 BDEDLO C=C1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000895078471 583581571 /nfs/dbraw/zinc/58/15/71/583581571.db2.gz VVVVSAGPIUFPRW-LLVKDONJSA-N 1 2 246.314 1.690 20 30 BDEDLO Cc1cc(N=NCc2[nH+]ccn2C)nc(C)n1 ZINC000727256297 583625681 /nfs/dbraw/zinc/62/56/81/583625681.db2.gz XIVAYSBTAANPDU-UHFFFAOYSA-N 1 2 230.275 1.273 20 30 BDEDLO CN(Cc1csc(C#N)c1)Cc1c[nH+]c[nH]1 ZINC000895303112 583645122 /nfs/dbraw/zinc/64/51/22/583645122.db2.gz SFRJRZVWIXEMNR-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO N#CCC1C[NH+](Cc2cnn(C3CCC3)c2)C1 ZINC000895344294 583654931 /nfs/dbraw/zinc/65/49/31/583654931.db2.gz NWKKHENHNQZDGI-UHFFFAOYSA-N 1 2 230.315 1.954 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1Cc2ccncc2C1 ZINC000857879380 588919694 /nfs/dbraw/zinc/91/96/94/588919694.db2.gz BIXNVTLIBWSHCI-SNVBAGLBSA-N 1 2 217.272 1.326 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1Cc2ccncc2C1 ZINC000857879380 588919695 /nfs/dbraw/zinc/91/96/95/588919695.db2.gz BIXNVTLIBWSHCI-SNVBAGLBSA-N 1 2 217.272 1.326 20 30 BDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942787 588924362 /nfs/dbraw/zinc/92/43/62/588924362.db2.gz YZCUVYONMQTKKK-LLVKDONJSA-N 1 2 245.326 1.364 20 30 BDEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000895700594 583709456 /nfs/dbraw/zinc/70/94/56/583709456.db2.gz WBEOQIWQNDPHAR-ZJUUUORDSA-N 1 2 249.738 1.421 20 30 BDEDLO C#CC[N@H+](Cc1cnccn1)C1CSC1 ZINC000895814485 583733748 /nfs/dbraw/zinc/73/37/48/583733748.db2.gz SYVIKAFEZCNITH-UHFFFAOYSA-N 1 2 219.313 1.027 20 30 BDEDLO C#CC[N@@H+](Cc1cnccn1)C1CSC1 ZINC000895814485 583733750 /nfs/dbraw/zinc/73/37/50/583733750.db2.gz SYVIKAFEZCNITH-UHFFFAOYSA-N 1 2 219.313 1.027 20 30 BDEDLO CC#CCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982781 588927968 /nfs/dbraw/zinc/92/79/68/588927968.db2.gz RWRBEQAOHOQILZ-LLVKDONJSA-N 1 2 231.299 1.638 20 30 BDEDLO C#CCSCc1nc(Cc2c[nH+]cn2C)no1 ZINC000896163500 583776646 /nfs/dbraw/zinc/77/66/46/583776646.db2.gz AVNNWOLWYABUJU-UHFFFAOYSA-N 1 2 248.311 1.260 20 30 BDEDLO N#CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857987670 588929374 /nfs/dbraw/zinc/92/93/74/588929374.db2.gz XSKXXELTGOSRFK-VIFPVBQESA-N 1 2 230.271 1.138 20 30 BDEDLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H](C)CC#N)CCN2 ZINC000858002591 588930590 /nfs/dbraw/zinc/93/05/90/588930590.db2.gz WXRCAMCMLCNZBE-JTQLQIEISA-N 1 2 244.298 1.698 20 30 BDEDLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896505221 583808009 /nfs/dbraw/zinc/80/80/09/583808009.db2.gz LSCZSDCOGLELTF-JTQLQIEISA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896505221 583808010 /nfs/dbraw/zinc/80/80/10/583808010.db2.gz LSCZSDCOGLELTF-JTQLQIEISA-N 1 2 204.277 1.454 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C#N)c[nH+]1 ZINC000896741067 583828964 /nfs/dbraw/zinc/82/89/64/583828964.db2.gz ALRCWSASFILPGL-VIFPVBQESA-N 1 2 234.303 1.203 20 30 BDEDLO CC#CC[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC000897167871 583887054 /nfs/dbraw/zinc/88/70/54/583887054.db2.gz VGLUJAQBBHBZPF-UHFFFAOYSA-N 1 2 231.274 1.929 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000897167871 583887056 /nfs/dbraw/zinc/88/70/56/583887056.db2.gz VGLUJAQBBHBZPF-UHFFFAOYSA-N 1 2 231.274 1.929 20 30 BDEDLO CC#CC[N@H+](C)Cc1c2c(nn1C)CCCC2 ZINC000897169346 583888367 /nfs/dbraw/zinc/88/83/67/583888367.db2.gz NMFREJDHKYMZDC-UHFFFAOYSA-N 1 2 231.343 1.754 20 30 BDEDLO CC#CC[N@@H+](C)Cc1c2c(nn1C)CCCC2 ZINC000897169346 583888369 /nfs/dbraw/zinc/88/83/69/583888369.db2.gz NMFREJDHKYMZDC-UHFFFAOYSA-N 1 2 231.343 1.754 20 30 BDEDLO C#Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000728959486 583939686 /nfs/dbraw/zinc/93/96/86/583939686.db2.gz GONTWDMCPOQNSW-UHFFFAOYSA-N 1 2 237.262 1.441 20 30 BDEDLO C#CCSCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000897415555 583961542 /nfs/dbraw/zinc/96/15/42/583961542.db2.gz ASNCLJVKVOYELP-VIFPVBQESA-N 1 2 237.328 1.343 20 30 BDEDLO C=CCC[N@@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000786100843 584016873 /nfs/dbraw/zinc/01/68/73/584016873.db2.gz FFNSGBFAZNXOGI-UHFFFAOYSA-N 1 2 244.294 1.748 20 30 BDEDLO C=CCC[N@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000786100843 584016875 /nfs/dbraw/zinc/01/68/75/584016875.db2.gz FFNSGBFAZNXOGI-UHFFFAOYSA-N 1 2 244.294 1.748 20 30 BDEDLO COc1nn(C)cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000898029638 584077476 /nfs/dbraw/zinc/07/74/76/584077476.db2.gz YPYVVBAKLYQZPG-UHFFFAOYSA-N 1 2 246.270 1.183 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccccn1 ZINC000730104364 584123700 /nfs/dbraw/zinc/12/37/00/584123700.db2.gz PZMADGYUICXRAZ-NSHDSACASA-N 1 2 229.283 1.118 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccn1 ZINC000730104364 584123701 /nfs/dbraw/zinc/12/37/01/584123701.db2.gz PZMADGYUICXRAZ-NSHDSACASA-N 1 2 229.283 1.118 20 30 BDEDLO C[C@@]1(C#N)CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858482789 588959149 /nfs/dbraw/zinc/95/91/49/588959149.db2.gz WIYWSMMZZKYDFC-ZDUSSCGKSA-N 1 2 231.299 1.704 20 30 BDEDLO C=C1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000898705880 584153504 /nfs/dbraw/zinc/15/35/04/584153504.db2.gz OWPSCWNMDPAUSB-NSHDSACASA-N 1 2 231.299 1.152 20 30 BDEDLO CCn1c[nH+]c(/C=C/C(=O)c2cc(C)n(C)n2)c1 ZINC000899389318 584209256 /nfs/dbraw/zinc/20/92/56/584209256.db2.gz GNTZSIUUNJYYAU-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO C=C1C[NH+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000899900030 584248019 /nfs/dbraw/zinc/24/80/19/584248019.db2.gz GPIIGFCCRSUCGA-QMMMGPOBSA-N 1 2 209.211 1.562 20 30 BDEDLO C=C1C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000899900124 584248535 /nfs/dbraw/zinc/24/85/35/584248535.db2.gz IYTKJYLFNCMDDX-ZDUSSCGKSA-N 1 2 214.268 1.463 20 30 BDEDLO C=C1C[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000899901395 584250121 /nfs/dbraw/zinc/25/01/21/584250121.db2.gz JYMHANFLNZXEHO-NSHDSACASA-N 1 2 237.274 1.437 20 30 BDEDLO C#CC1CCN(c2[nH+]cccc2OC)CC1 ZINC000858600679 588970274 /nfs/dbraw/zinc/97/02/74/588970274.db2.gz SRDRGSKKSGDXKG-UHFFFAOYSA-N 1 2 216.284 1.940 20 30 BDEDLO CCN(CC#N)C(=O)c1ccc(C)[nH+]c1NC ZINC000900361220 584295818 /nfs/dbraw/zinc/29/58/18/584295818.db2.gz DBGSFWFYXCCTEI-UHFFFAOYSA-N 1 2 232.287 1.417 20 30 BDEDLO N#CC1(NC(=O)CNc2cccc[nH+]2)CCC1 ZINC000900398185 584302492 /nfs/dbraw/zinc/30/24/92/584302492.db2.gz WURPSTSQUCYULM-UHFFFAOYSA-N 1 2 230.271 1.056 20 30 BDEDLO CC[C@H](C#N)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000900472406 584314940 /nfs/dbraw/zinc/31/49/40/584314940.db2.gz UADCJJSYSOQHFS-SNVBAGLBSA-N 1 2 234.303 1.345 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc(CC)[nH+]cn1 ZINC000858856684 588979184 /nfs/dbraw/zinc/97/91/84/588979184.db2.gz GYOXRGAHKDVYJW-GFCCVEGCSA-N 1 2 233.315 1.879 20 30 BDEDLO CNc1[nH+]c(C)ccc1C(=O)NC1=NO[C@H](C)C1 ZINC000901250916 584409784 /nfs/dbraw/zinc/40/97/84/584409784.db2.gz VPYKGYSFOCCFIR-MRVPVSSYSA-N 1 2 248.286 1.284 20 30 BDEDLO CCn1c[nH+]cc1C=NNc1ccnn1C ZINC000901221607 584410841 /nfs/dbraw/zinc/41/08/41/584410841.db2.gz VMSBNEYMTFKXFH-UHFFFAOYSA-N 1 2 218.264 1.083 20 30 BDEDLO CC1(C=[NH+]n2nnc3c2CCCC3)COC1 ZINC000901331174 584425211 /nfs/dbraw/zinc/42/52/11/584425211.db2.gz LJURZDWSRNMNQW-UHFFFAOYSA-N 1 2 220.276 1.027 20 30 BDEDLO COC[C@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901330984 584425261 /nfs/dbraw/zinc/42/52/61/584425261.db2.gz HSOKYFDOTKYZSY-SECBINFHSA-N 1 2 222.292 1.273 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cn(C)nc1C ZINC000901462488 584451158 /nfs/dbraw/zinc/45/11/58/584451158.db2.gz VZJGFRXLXMONHG-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cnnn1C ZINC000901510472 584457081 /nfs/dbraw/zinc/45/70/81/584457081.db2.gz DTZASLQGVGIUFX-SNAWJCMRSA-N 1 2 245.286 1.489 20 30 BDEDLO O=C1c2nccn2C/C1=C\c1cn(C2CC2)c[nH+]1 ZINC000901513218 584461291 /nfs/dbraw/zinc/46/12/91/584461291.db2.gz QGUCBLPYVJIOQE-WEVVVXLNSA-N 1 2 240.266 1.694 20 30 BDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)n(C)n1 ZINC000901554711 584462363 /nfs/dbraw/zinc/46/23/63/584462363.db2.gz BZHFEHVZLFFLLE-AATRIKPKSA-N 1 2 244.298 1.841 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H](COC)C(C)C)C(=O)OC ZINC000901622074 584469992 /nfs/dbraw/zinc/46/99/92/584469992.db2.gz ASJQGAFMEFMLIL-GHMZBOCLSA-N 1 2 229.320 1.222 20 30 BDEDLO C=C[C@@H]([NH2+]CC(C)(C)C1CC1)C(=O)OC ZINC000901641702 584473797 /nfs/dbraw/zinc/47/37/97/584473797.db2.gz BACGGHYULFKJIO-SNVBAGLBSA-N 1 2 211.305 1.740 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnn(CCF)c1 ZINC000901654581 584476008 /nfs/dbraw/zinc/47/60/08/584476008.db2.gz CXAZLWAOOAMBMH-LLVKDONJSA-N 1 2 249.293 1.386 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902065341 584522634 /nfs/dbraw/zinc/52/26/34/584522634.db2.gz GDLGQBAUJIRXAV-RYUDHWBXSA-N 1 2 235.331 1.294 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902065341 584522635 /nfs/dbraw/zinc/52/26/35/584522635.db2.gz GDLGQBAUJIRXAV-RYUDHWBXSA-N 1 2 235.331 1.294 20 30 BDEDLO CC(C)OCC(N)=[NH+]OCc1cncc(C#N)c1 ZINC000902222275 584540542 /nfs/dbraw/zinc/54/05/42/584540542.db2.gz YQOVRWITVBGPLO-UHFFFAOYSA-N 1 2 248.286 1.377 20 30 BDEDLO C#CCCOC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000859058040 588994870 /nfs/dbraw/zinc/99/48/70/588994870.db2.gz OTGPBJHGOUSABK-NSHDSACASA-N 1 2 247.298 1.749 20 30 BDEDLO N#CC1CC[NH+](Cc2cnns2)CC1 ZINC000859104671 589002443 /nfs/dbraw/zinc/00/24/43/589002443.db2.gz GVTQEAAARXAMBG-UHFFFAOYSA-N 1 2 208.290 1.274 20 30 BDEDLO C[C@H]([NH2+]Cc1ccon1)c1cc(C#N)ccn1 ZINC000902831394 584678591 /nfs/dbraw/zinc/67/85/91/584678591.db2.gz KQBDONJEBXURSW-VIFPVBQESA-N 1 2 228.255 1.792 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cn(C)nn1 ZINC000903035545 584719026 /nfs/dbraw/zinc/71/90/26/584719026.db2.gz QVKMYNGIIZSBRE-VIFPVBQESA-N 1 2 219.292 1.160 20 30 BDEDLO Cc1nonc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903089102 584725373 /nfs/dbraw/zinc/72/53/73/584725373.db2.gz VLLIKPCDMZVGPL-MRVPVSSYSA-N 1 2 243.270 1.496 20 30 BDEDLO CCCCN(O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000904212125 584854586 /nfs/dbraw/zinc/85/45/86/584854586.db2.gz KEXFQEOAHKILSP-JTQLQIEISA-N 1 2 237.303 1.463 20 30 BDEDLO CCCCN(O)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000904214657 584856052 /nfs/dbraw/zinc/85/60/52/584856052.db2.gz IKHGVDLSJGJAEH-VIFPVBQESA-N 1 2 237.303 1.533 20 30 BDEDLO CCCCN(O)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000904214657 584856053 /nfs/dbraw/zinc/85/60/53/584856053.db2.gz IKHGVDLSJGJAEH-VIFPVBQESA-N 1 2 237.303 1.533 20 30 BDEDLO Nc1cnccc1C=[NH+]OCC(F)F ZINC000819812054 585007911 /nfs/dbraw/zinc/00/79/11/585007911.db2.gz JLOOSKXAVVTZGR-UHFFFAOYSA-N 1 2 201.176 1.279 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(CC)n1 ZINC000839065398 585089576 /nfs/dbraw/zinc/08/95/76/585089576.db2.gz ZVYRAPQXDKFFQN-GFCCVEGCSA-N 1 2 220.320 1.839 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn(CC)n1 ZINC000839065398 585089577 /nfs/dbraw/zinc/08/95/77/585089577.db2.gz ZVYRAPQXDKFFQN-GFCCVEGCSA-N 1 2 220.320 1.839 20 30 BDEDLO C#CC[C@@H]([NH2+][C@H](CCCC)COC)C(=O)OC ZINC000839166977 585095426 /nfs/dbraw/zinc/09/54/26/585095426.db2.gz CARDPTPQGXCTDI-VXGBXAGGSA-N 1 2 241.331 1.346 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)OC ZINC000839167093 585095461 /nfs/dbraw/zinc/09/54/61/585095461.db2.gz CLZQZYDWEJNKET-RVMXOQNASA-N 1 2 237.343 1.966 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)OC ZINC000839168351 585095611 /nfs/dbraw/zinc/09/56/11/585095611.db2.gz JTLIMFOWKUUSTQ-WDEREUQCSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000839168891 585095774 /nfs/dbraw/zinc/09/57/74/585095774.db2.gz OCRMNHYTFLRXHR-ZJUUUORDSA-N 1 2 227.329 1.037 20 30 BDEDLO C#CC[C@H]([NH2+]C1CCCCC1)C(=O)OC ZINC000839167674 585095885 /nfs/dbraw/zinc/09/58/85/585095885.db2.gz GAUVQCPYJOQDQW-NSHDSACASA-N 1 2 209.289 1.474 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](CC)CCC=C)C(=O)OC ZINC000839169229 585096143 /nfs/dbraw/zinc/09/61/43/585096143.db2.gz QCOZCSFUBYRSKW-NEPJUHHUSA-N 1 2 223.316 1.886 20 30 BDEDLO C#CCN(CC#CC)C(=O)CCCn1cc[nH+]c1 ZINC000742002888 585121620 /nfs/dbraw/zinc/12/16/20/585121620.db2.gz WUOFPVVBKABUQY-UHFFFAOYSA-N 1 2 243.310 1.148 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(O)cc1 ZINC000746457093 585168283 /nfs/dbraw/zinc/16/82/83/585168283.db2.gz XDOZLIFGLMUEEN-UHFFFAOYSA-N 1 2 232.283 1.286 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(O)cc1 ZINC000746457093 585168284 /nfs/dbraw/zinc/16/82/84/585168284.db2.gz XDOZLIFGLMUEEN-UHFFFAOYSA-N 1 2 232.283 1.286 20 30 BDEDLO COC(=O)/C(C)=C/C[N@H+](CCC#N)CC1CC1 ZINC000748821445 585197032 /nfs/dbraw/zinc/19/70/32/585197032.db2.gz QRDXHHLFMYOSMU-IZZDOVSWSA-N 1 2 236.315 1.731 20 30 BDEDLO COC(=O)/C(C)=C/C[N@@H+](CCC#N)CC1CC1 ZINC000748821445 585197033 /nfs/dbraw/zinc/19/70/33/585197033.db2.gz QRDXHHLFMYOSMU-IZZDOVSWSA-N 1 2 236.315 1.731 20 30 BDEDLO CCC(=O)CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000753747978 585268190 /nfs/dbraw/zinc/26/81/90/585268190.db2.gz UVIKYTXPVGSOJF-SNVBAGLBSA-N 1 2 208.305 1.980 20 30 BDEDLO CCC(=O)CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000753747978 585268191 /nfs/dbraw/zinc/26/81/91/585268191.db2.gz UVIKYTXPVGSOJF-SNVBAGLBSA-N 1 2 208.305 1.980 20 30 BDEDLO C#CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000754079430 585277489 /nfs/dbraw/zinc/27/74/89/585277489.db2.gz IJBXFKVNANDZAI-UHFFFAOYSA-N 1 2 246.285 1.103 20 30 BDEDLO COc1cccc(NN=Cc2c[nH+]cn2C)c1 ZINC000755607863 585302287 /nfs/dbraw/zinc/30/22/87/585302287.db2.gz AVHXVLDKLGXKLM-UHFFFAOYSA-N 1 2 230.271 1.875 20 30 BDEDLO O=[N+]([O-])c1ccc(N=NCc2c[nH+]c[nH]2)nc1 ZINC000755648412 585303309 /nfs/dbraw/zinc/30/33/09/585303309.db2.gz HJCWGTNARHPVDR-UHFFFAOYSA-N 1 2 232.203 1.159 20 30 BDEDLO O=[N+]([O-])c1ccc(N=NCc2c[nH]c[nH+]2)nc1 ZINC000755648412 585303310 /nfs/dbraw/zinc/30/33/10/585303310.db2.gz HJCWGTNARHPVDR-UHFFFAOYSA-N 1 2 232.203 1.159 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1ccc(C#N)cc1 ZINC000755651650 585303472 /nfs/dbraw/zinc/30/34/72/585303472.db2.gz KESJGVBLEQGQRY-UHFFFAOYSA-N 1 2 225.255 1.738 20 30 BDEDLO C=C(Cl)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000839548668 585330231 /nfs/dbraw/zinc/33/02/31/585330231.db2.gz QUJBJHJUVGOWGD-UHFFFAOYSA-N 1 2 240.738 1.727 20 30 BDEDLO C=C(Cl)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000839548668 585330232 /nfs/dbraw/zinc/33/02/32/585330232.db2.gz QUJBJHJUVGOWGD-UHFFFAOYSA-N 1 2 240.738 1.727 20 30 BDEDLO N#Cc1cccn(C[NH+]2CCCCC2)c1=O ZINC000758180373 585351278 /nfs/dbraw/zinc/35/12/78/585351278.db2.gz CKCILJVMPMNTPS-UHFFFAOYSA-N 1 2 217.272 1.163 20 30 BDEDLO Cc1ccn(C[N@@H+](C)C2CC2)c(=O)c1C#N ZINC000758207148 585351750 /nfs/dbraw/zinc/35/17/50/585351750.db2.gz RBSGOJVQDARTLJ-UHFFFAOYSA-N 1 2 217.272 1.080 20 30 BDEDLO Cc1ccn(C[N@H+](C)C2CC2)c(=O)c1C#N ZINC000758207148 585351751 /nfs/dbraw/zinc/35/17/51/585351751.db2.gz RBSGOJVQDARTLJ-UHFFFAOYSA-N 1 2 217.272 1.080 20 30 BDEDLO CC(C)[C@H](C#N)N1CC[NH+](CCF)CC1 ZINC000759349294 585370645 /nfs/dbraw/zinc/37/06/45/585370645.db2.gz YQOSSLGKUIMQMI-NSHDSACASA-N 1 2 213.300 1.122 20 30 BDEDLO N#CCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000759807417 585380729 /nfs/dbraw/zinc/38/07/29/585380729.db2.gz BSYDIVYCWWMLEX-UHFFFAOYSA-N 1 2 233.271 1.443 20 30 BDEDLO C#CCCO[NH+]=C(N)Cc1ccccc1 ZINC000760356873 585391346 /nfs/dbraw/zinc/39/13/46/585391346.db2.gz PODAIXMIYQNKQA-UHFFFAOYSA-N 1 2 202.257 1.751 20 30 BDEDLO C#CCCO[NH+]=C(N)Cc1cccs1 ZINC000760354812 585391376 /nfs/dbraw/zinc/39/13/76/585391376.db2.gz ZXSYFMZKZMSFAW-UHFFFAOYSA-N 1 2 208.286 1.812 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763696244 585452729 /nfs/dbraw/zinc/45/27/29/585452729.db2.gz IXZUBFVLRMNTMO-JTQLQIEISA-N 1 2 222.288 1.318 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763696244 585452730 /nfs/dbraw/zinc/45/27/30/585452730.db2.gz IXZUBFVLRMNTMO-JTQLQIEISA-N 1 2 222.288 1.318 20 30 BDEDLO CC#CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000764503771 585466944 /nfs/dbraw/zinc/46/69/44/585466944.db2.gz BXOXEKKKVFOLFF-UHFFFAOYSA-N 1 2 239.278 1.512 20 30 BDEDLO Cc1cc(N[NH+]=Cc2cccnc2N)nc(C)n1 ZINC000764682603 585471017 /nfs/dbraw/zinc/47/10/17/585471017.db2.gz OERUBXFXHWGHKG-UHFFFAOYSA-N 1 2 242.286 1.517 20 30 BDEDLO Cn1nccc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000766037821 585496841 /nfs/dbraw/zinc/49/68/41/585496841.db2.gz RFTVSOZBQJODCG-NSCUHMNNSA-N 1 2 202.217 1.039 20 30 BDEDLO Cc1[nH]c[nH+]c1C=NNCC(F)(F)F ZINC000769823146 585564767 /nfs/dbraw/zinc/56/47/67/585564767.db2.gz VNCUMWJRUVMQQO-UHFFFAOYSA-N 1 2 206.171 1.204 20 30 BDEDLO COc1cc[nH+]cc1COC(=O)C1(C#N)CCC1 ZINC000805457463 585608878 /nfs/dbraw/zinc/60/88/78/585608878.db2.gz BOLIVUMBCLIJLV-UHFFFAOYSA-N 1 2 246.266 1.827 20 30 BDEDLO C=CC[N@@H+](CCS(=O)(=O)CC)C1CC1 ZINC000772382270 585613836 /nfs/dbraw/zinc/61/38/36/585613836.db2.gz PKUMSCMFFHZKQD-UHFFFAOYSA-N 1 2 217.334 1.072 20 30 BDEDLO C=CC[N@H+](CCS(=O)(=O)CC)C1CC1 ZINC000772382270 585613837 /nfs/dbraw/zinc/61/38/37/585613837.db2.gz PKUMSCMFFHZKQD-UHFFFAOYSA-N 1 2 217.334 1.072 20 30 BDEDLO C=CC[N@@H+]([C@@H](C)C(=O)OCCC)C1CC1 ZINC000772383181 585614043 /nfs/dbraw/zinc/61/40/43/585614043.db2.gz UJKYTCJKRRRIBY-JTQLQIEISA-N 1 2 211.305 1.979 20 30 BDEDLO C=CC[N@H+]([C@@H](C)C(=O)OCCC)C1CC1 ZINC000772383181 585614044 /nfs/dbraw/zinc/61/40/44/585614044.db2.gz UJKYTCJKRRRIBY-JTQLQIEISA-N 1 2 211.305 1.979 20 30 BDEDLO CC1(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCC1 ZINC000774888614 585668518 /nfs/dbraw/zinc/66/85/18/585668518.db2.gz RKTAWQHXIRJANV-ZDUSSCGKSA-N 1 2 233.359 1.849 20 30 BDEDLO CC1(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCC1 ZINC000774888614 585668519 /nfs/dbraw/zinc/66/85/19/585668519.db2.gz RKTAWQHXIRJANV-ZDUSSCGKSA-N 1 2 233.359 1.849 20 30 BDEDLO C#C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000775387527 585676970 /nfs/dbraw/zinc/67/69/70/585676970.db2.gz BGWAMMJALKWPQA-LLVKDONJSA-N 1 2 241.294 1.323 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1nc(CC)no1)[C@H]1CCCO1 ZINC000775791056 585684744 /nfs/dbraw/zinc/68/47/44/585684744.db2.gz RWAOKXQOOPPVJP-OUAUKWLOSA-N 1 2 249.314 1.463 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCCO1 ZINC000775789966 585684869 /nfs/dbraw/zinc/68/48/69/585684869.db2.gz NRQWLNNLKANPRI-RYUDHWBXSA-N 1 2 246.310 1.822 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@@H]1CCCO1 ZINC000775808066 585685667 /nfs/dbraw/zinc/68/56/67/585685667.db2.gz XUDLZNMATIUFEM-WOPDTQHZSA-N 1 2 234.299 1.814 20 30 BDEDLO COC[C@@H](C)NN=Cc1cccc2[nH+]ccn21 ZINC000777903258 585723547 /nfs/dbraw/zinc/72/35/47/585723547.db2.gz QVGNPQIZSJRPDC-SNVBAGLBSA-N 1 2 232.287 1.293 20 30 BDEDLO Cc1c(C(=O)/C=C/c2[nH]cc[nH+]2)cnn1C ZINC000778518454 585736548 /nfs/dbraw/zinc/73/65/48/585736548.db2.gz VHJHMUAQIXEBFI-ONEGZZNKSA-N 1 2 216.244 1.348 20 30 BDEDLO C[NH+](C)[C@@H](C(=O)OCC#N)c1ccccc1 ZINC000780087587 585772420 /nfs/dbraw/zinc/77/24/20/585772420.db2.gz CHSSBKYAYBIOKM-LLVKDONJSA-N 1 2 218.256 1.356 20 30 BDEDLO C[C@H](C#N)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780093659 585772488 /nfs/dbraw/zinc/77/24/88/585772488.db2.gz ZGZKAVAUYSLJHP-PWSUYJOCSA-N 1 2 232.283 1.745 20 30 BDEDLO C#CCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000780319257 585777743 /nfs/dbraw/zinc/77/77/43/585777743.db2.gz VRJFMOSYASGUKJ-ZDUSSCGKSA-N 1 2 231.295 1.384 20 30 BDEDLO C#CCCCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000780369212 585778494 /nfs/dbraw/zinc/77/84/94/585778494.db2.gz VXVAJNNYHKASJX-ZDUSSCGKSA-N 1 2 247.342 1.972 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000781198408 585792895 /nfs/dbraw/zinc/79/28/95/585792895.db2.gz URKOYNDQAOEKII-NXEZZACHSA-N 1 2 242.344 1.269 20 30 BDEDLO Nc1ncc(C=[NH+]OCc2cccnc2)cn1 ZINC000781597432 585800106 /nfs/dbraw/zinc/80/01/06/585800106.db2.gz UEJXVSZBWUMRSJ-UHFFFAOYSA-N 1 2 229.243 1.005 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000781613880 585800621 /nfs/dbraw/zinc/80/06/21/585800621.db2.gz GYTXNCILZPKXSR-CYBMUJFWSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](CC(C)C)C(=O)OCC ZINC000782477218 585818601 /nfs/dbraw/zinc/81/86/01/585818601.db2.gz PJBOQDZRSOTOQR-GFCCVEGCSA-N 1 2 225.332 1.919 20 30 BDEDLO C#CC[N@H+](CC)[C@H](CC(C)C)C(=O)OCC ZINC000782477218 585818602 /nfs/dbraw/zinc/81/86/02/585818602.db2.gz PJBOQDZRSOTOQR-GFCCVEGCSA-N 1 2 225.332 1.919 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)CCC ZINC000785998501 585884863 /nfs/dbraw/zinc/88/48/63/585884863.db2.gz HDDACKHREKODDA-GFCCVEGCSA-N 1 2 245.388 1.852 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)CCC ZINC000785998501 585884864 /nfs/dbraw/zinc/88/48/64/585884864.db2.gz HDDACKHREKODDA-GFCCVEGCSA-N 1 2 245.388 1.852 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)CCC ZINC000785998502 585885160 /nfs/dbraw/zinc/88/51/60/585885160.db2.gz HDDACKHREKODDA-LBPRGKRZSA-N 1 2 245.388 1.852 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)CCC ZINC000785998502 585885161 /nfs/dbraw/zinc/88/51/61/585885161.db2.gz HDDACKHREKODDA-LBPRGKRZSA-N 1 2 245.388 1.852 20 30 BDEDLO C=CCC[N@@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000786101860 585887416 /nfs/dbraw/zinc/88/74/16/585887416.db2.gz QZYUYMZBLASNAF-UHFFFAOYSA-N 1 2 246.314 1.200 20 30 BDEDLO C=CCC[N@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000786101860 585887417 /nfs/dbraw/zinc/88/74/17/585887417.db2.gz QZYUYMZBLASNAF-UHFFFAOYSA-N 1 2 246.314 1.200 20 30 BDEDLO C=CCCC(=O)OCCc1c[nH+]cn1C ZINC000789776735 585949882 /nfs/dbraw/zinc/94/98/82/585949882.db2.gz MRWQCNBPSRUVNY-UHFFFAOYSA-N 1 2 208.261 1.472 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1ccccc1O ZINC000790305140 585963448 /nfs/dbraw/zinc/96/34/48/585963448.db2.gz AKTWESRUCOWEAI-UHFFFAOYSA-N 1 2 230.271 1.962 20 30 BDEDLO C#Cc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000791205808 585975133 /nfs/dbraw/zinc/97/51/33/585975133.db2.gz WBSICJQMNWLLSF-UHFFFAOYSA-N 1 2 239.278 1.962 20 30 BDEDLO C=C(CO)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000791346943 585978215 /nfs/dbraw/zinc/97/82/15/585978215.db2.gz ZFRFRBCZRWXLJK-UHFFFAOYSA-N 1 2 243.266 1.564 20 30 BDEDLO CSCCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000794572795 586044606 /nfs/dbraw/zinc/04/46/06/586044606.db2.gz XPECSZZDJIXINY-UHFFFAOYSA-N 1 2 245.373 1.923 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCO[C@@H](C)C#N ZINC000794746095 586048095 /nfs/dbraw/zinc/04/80/95/586048095.db2.gz SQRWVDONHBOOCA-NSHDSACASA-N 1 2 207.277 1.317 20 30 BDEDLO C=CC[N@H+](CCC#N)CCO[C@@H](C)C#N ZINC000794746095 586048096 /nfs/dbraw/zinc/04/80/96/586048096.db2.gz SQRWVDONHBOOCA-NSHDSACASA-N 1 2 207.277 1.317 20 30 BDEDLO COCCN(C)N=Cc1c[nH+]c2ccc(C)cn12 ZINC000794962957 586057618 /nfs/dbraw/zinc/05/76/18/586057618.db2.gz DOFZRLYQDTUWSI-UHFFFAOYSA-N 1 2 246.314 1.555 20 30 BDEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794967380 586059274 /nfs/dbraw/zinc/05/92/74/586059274.db2.gz LBGJBHDABGGVAV-BRPSZJMVSA-N 1 2 215.680 1.090 20 30 BDEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794967380 586059276 /nfs/dbraw/zinc/05/92/76/586059276.db2.gz LBGJBHDABGGVAV-BRPSZJMVSA-N 1 2 215.680 1.090 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2cccc(F)n2)cn1 ZINC000795006204 586064787 /nfs/dbraw/zinc/06/47/87/586064787.db2.gz KMAWLFUDIMYAOR-UHFFFAOYSA-N 1 2 232.222 1.039 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cnc(Cl)cn1 ZINC000799167866 586163805 /nfs/dbraw/zinc/16/38/05/586163805.db2.gz BGVUVMPGZUBMOX-UHFFFAOYSA-N 1 2 241.722 1.764 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cnc(Cl)cn1 ZINC000799167866 586163806 /nfs/dbraw/zinc/16/38/06/586163806.db2.gz BGVUVMPGZUBMOX-UHFFFAOYSA-N 1 2 241.722 1.764 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnc(Cl)cn1 ZINC000799168650 586164588 /nfs/dbraw/zinc/16/45/88/586164588.db2.gz VGQFUDHHYKCVGL-QMMMGPOBSA-N 1 2 209.680 1.584 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc(Cl)cn1 ZINC000799168650 586164590 /nfs/dbraw/zinc/16/45/90/586164590.db2.gz VGQFUDHHYKCVGL-QMMMGPOBSA-N 1 2 209.680 1.584 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799305256 586170116 /nfs/dbraw/zinc/17/01/16/586170116.db2.gz RVQUVGLOWJUHBZ-SKDRFNHKSA-N 1 2 237.278 1.488 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799305256 586170117 /nfs/dbraw/zinc/17/01/17/586170117.db2.gz RVQUVGLOWJUHBZ-SKDRFNHKSA-N 1 2 237.278 1.488 20 30 BDEDLO O=C1C=C(N[NH2+]C2CCCC2)[C@@H]2CCCCN12 ZINC000799478732 586178249 /nfs/dbraw/zinc/17/82/49/586178249.db2.gz NVJKNIJFCMMVAY-LBPRGKRZSA-N 1 2 235.331 1.659 20 30 BDEDLO CC[C@H](C)[NH2+]NC1=CC(=O)N2CCCC[C@@H]12 ZINC000799485908 586179866 /nfs/dbraw/zinc/17/98/66/586179866.db2.gz PIKZBTGJIYIPOE-ONGXEEELSA-N 1 2 223.320 1.515 20 30 BDEDLO C[C@H](C#N)OCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478151 589040227 /nfs/dbraw/zinc/04/02/27/589040227.db2.gz RZAWTMDYNYBBTM-SNVBAGLBSA-N 1 2 232.283 1.636 20 30 BDEDLO C[C@H](C#N)OCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478151 589040229 /nfs/dbraw/zinc/04/02/29/589040229.db2.gz RZAWTMDYNYBBTM-SNVBAGLBSA-N 1 2 232.283 1.636 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCO[C@@H](C)C#N ZINC000801927346 586277524 /nfs/dbraw/zinc/27/75/24/586277524.db2.gz NJUZEGLKARENQT-QWRGUYRKSA-N 1 2 242.319 1.187 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801927346 586277526 /nfs/dbraw/zinc/27/75/26/586277526.db2.gz NJUZEGLKARENQT-QWRGUYRKSA-N 1 2 242.319 1.187 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000801938857 586280685 /nfs/dbraw/zinc/28/06/85/586280685.db2.gz NNHINORAJZXDEZ-RYUDHWBXSA-N 1 2 221.304 1.541 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000801938857 586280688 /nfs/dbraw/zinc/28/06/88/586280688.db2.gz NNHINORAJZXDEZ-RYUDHWBXSA-N 1 2 221.304 1.541 20 30 BDEDLO C=CCCOCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802238230 586297712 /nfs/dbraw/zinc/29/77/12/586297712.db2.gz LSNHSZQMQYXXMB-LLVKDONJSA-N 1 2 245.294 1.166 20 30 BDEDLO C=CCCOCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802238230 586297713 /nfs/dbraw/zinc/29/77/13/586297713.db2.gz LSNHSZQMQYXXMB-LLVKDONJSA-N 1 2 245.294 1.166 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337384 586392333 /nfs/dbraw/zinc/39/23/33/586392333.db2.gz ZHJGPSRFADUONP-LLVKDONJSA-N 1 2 245.326 1.364 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000840050026 586399852 /nfs/dbraw/zinc/39/98/52/586399852.db2.gz WQFROMGTFMAZOV-GHMZBOCLSA-N 1 2 208.305 1.320 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000840050026 586399854 /nfs/dbraw/zinc/39/98/54/586399854.db2.gz WQFROMGTFMAZOV-GHMZBOCLSA-N 1 2 208.305 1.320 20 30 BDEDLO CON=CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000809647769 586510879 /nfs/dbraw/zinc/51/08/79/586510879.db2.gz GBMLBLCIFYAVAP-UHFFFAOYSA-N 1 2 232.243 1.213 20 30 BDEDLO COc1cccc(/C=N/Cc2c[nH+]cn2C)c1O ZINC000811624801 586562054 /nfs/dbraw/zinc/56/20/54/586562054.db2.gz RMAFDMXONUAYDG-MKMNVTDBSA-N 1 2 245.282 1.753 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811769149 586566830 /nfs/dbraw/zinc/56/68/30/586566830.db2.gz RJKDUSXXJGKOLU-NSHDSACASA-N 1 2 222.332 1.709 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811769149 586566831 /nfs/dbraw/zinc/56/68/31/586566831.db2.gz RJKDUSXXJGKOLU-NSHDSACASA-N 1 2 222.332 1.709 20 30 BDEDLO C=CCNC(=S)N[NH+]=C(C)c1ccc(N)nc1 ZINC000814715333 586630271 /nfs/dbraw/zinc/63/02/71/586630271.db2.gz QWCHSHHFKAGSEK-UHFFFAOYSA-N 1 2 249.343 1.038 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(C)cn1 ZINC000814831668 586637485 /nfs/dbraw/zinc/63/74/85/586637485.db2.gz MAFIHVOUULXQNB-UHFFFAOYSA-N 1 2 244.302 1.460 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000815111871 586666962 /nfs/dbraw/zinc/66/69/62/586666962.db2.gz FXZFEFVETCDWGQ-OPRDCNLKSA-N 1 2 230.258 1.645 20 30 BDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000815111871 586666964 /nfs/dbraw/zinc/66/69/64/586666964.db2.gz FXZFEFVETCDWGQ-OPRDCNLKSA-N 1 2 230.258 1.645 20 30 BDEDLO C=CCC(F)(F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000815547990 586687896 /nfs/dbraw/zinc/68/78/96/586687896.db2.gz IXLHLFHIDQASDC-UHFFFAOYSA-N 1 2 229.230 1.280 20 30 BDEDLO COCCN(C)N=C1CCc2ccc[nH+]c2CC1 ZINC000817328365 586794551 /nfs/dbraw/zinc/79/45/51/586794551.db2.gz YCUBBRCGZZQNLC-UHFFFAOYSA-N 1 2 247.342 1.895 20 30 BDEDLO COC[C@H](C)NN=C1CCc2ccc[nH+]c2CC1 ZINC000817326987 586794820 /nfs/dbraw/zinc/79/48/20/586794820.db2.gz ZUIYAPZZGBPDAU-NSHDSACASA-N 1 2 247.342 1.941 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNC1CCOCC1 ZINC000819808918 586996746 /nfs/dbraw/zinc/99/67/46/586996746.db2.gz IQQOUMIZPGHDGT-UHFFFAOYSA-N 1 2 236.319 1.567 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@H]1CCCOC1 ZINC000819810170 586997084 /nfs/dbraw/zinc/99/70/84/586997084.db2.gz ZZXYXOPEGBFXFZ-NSHDSACASA-N 1 2 236.319 1.567 20 30 BDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000820434833 587048815 /nfs/dbraw/zinc/04/88/15/587048815.db2.gz ALJDAFSNNFWCEO-NEPJUHHUSA-N 1 2 246.314 1.251 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N1CCOCC1 ZINC000820598986 587058394 /nfs/dbraw/zinc/05/83/94/587058394.db2.gz NFFXGIJEWGTLTP-UHFFFAOYSA-N 1 2 246.310 1.710 20 30 BDEDLO C=CC(C)(C)CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821428781 587119504 /nfs/dbraw/zinc/11/95/04/587119504.db2.gz TWNAXBORROMUCJ-VOTSOKGWSA-N 1 2 233.315 1.762 20 30 BDEDLO C=C(C)CN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000821714580 587135382 /nfs/dbraw/zinc/13/53/82/587135382.db2.gz WVOLFBYWFYTMDD-UHFFFAOYSA-N 1 2 207.277 1.377 20 30 BDEDLO CO[C@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)C1CC1 ZINC000822622122 587177992 /nfs/dbraw/zinc/17/79/92/587177992.db2.gz STXRUDRRAANGME-ZIAGYGMSSA-N 1 2 249.358 1.084 20 30 BDEDLO CO[C@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)C1CC1 ZINC000822622122 587177993 /nfs/dbraw/zinc/17/79/93/587177993.db2.gz STXRUDRRAANGME-ZIAGYGMSSA-N 1 2 249.358 1.084 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000822901024 587192254 /nfs/dbraw/zinc/19/22/54/587192254.db2.gz UYSYGSGTHGFXTP-SECBINFHSA-N 1 2 234.255 1.067 20 30 BDEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])COC)n1 ZINC000823248731 587211218 /nfs/dbraw/zinc/21/12/18/587211218.db2.gz USLUBPGCWULWCE-QMMMGPOBSA-N 1 2 225.292 1.570 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000823304639 587215592 /nfs/dbraw/zinc/21/55/92/587215592.db2.gz AELZYBOEKGZMFQ-KGLIPLIRSA-N 1 2 248.370 1.590 20 30 BDEDLO N#CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000824301607 587265691 /nfs/dbraw/zinc/26/56/91/587265691.db2.gz BHVSVORVOOLKAR-UHFFFAOYSA-N 1 2 213.643 1.877 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824384478 587268439 /nfs/dbraw/zinc/26/84/39/587268439.db2.gz CBYAWCJSWRUIFR-MRVPVSSYSA-N 1 2 246.274 1.194 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824384478 587268441 /nfs/dbraw/zinc/26/84/41/587268441.db2.gz CBYAWCJSWRUIFR-MRVPVSSYSA-N 1 2 246.274 1.194 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824384479 587268640 /nfs/dbraw/zinc/26/86/40/587268640.db2.gz CBYAWCJSWRUIFR-QMMMGPOBSA-N 1 2 246.274 1.194 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824384479 587268642 /nfs/dbraw/zinc/26/86/42/587268642.db2.gz CBYAWCJSWRUIFR-QMMMGPOBSA-N 1 2 246.274 1.194 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000826534126 587354112 /nfs/dbraw/zinc/35/41/12/587354112.db2.gz DADWGSGEMWHEDH-GFCCVEGCSA-N 1 2 244.342 1.848 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000826534126 587354113 /nfs/dbraw/zinc/35/41/13/587354113.db2.gz DADWGSGEMWHEDH-GFCCVEGCSA-N 1 2 244.342 1.848 20 30 BDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@@H]1C ZINC000826990547 587367266 /nfs/dbraw/zinc/36/72/66/587367266.db2.gz IOWSFNXWRIICGU-NWDGAFQWSA-N 1 2 237.343 1.919 20 30 BDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@@H]1C ZINC000826990547 587367267 /nfs/dbraw/zinc/36/72/67/587367267.db2.gz IOWSFNXWRIICGU-NWDGAFQWSA-N 1 2 237.343 1.919 20 30 BDEDLO N#CCC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829076277 587482109 /nfs/dbraw/zinc/48/21/09/587482109.db2.gz GDJGGSAPYSPVBX-UHFFFAOYSA-N 1 2 230.271 1.087 20 30 BDEDLO C#CC1CC[NH+](Cc2noc(CCC)n2)CC1 ZINC000830321696 587545783 /nfs/dbraw/zinc/54/57/83/587545783.db2.gz XVFFHJUNGSIJFB-UHFFFAOYSA-N 1 2 233.315 1.867 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C(=O)OCCC ZINC000831828776 587633300 /nfs/dbraw/zinc/63/33/00/587633300.db2.gz BKDKHTBKDYQTFP-UTUOFQBUSA-N 1 2 241.331 1.651 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000834770555 587766467 /nfs/dbraw/zinc/76/64/67/587766467.db2.gz VMNQFKHLPQVRGK-YVECIDJPSA-N 1 2 245.326 1.659 20 30 BDEDLO C#CCCCNC(=O)NCc1[nH+]ccn1CC ZINC000836331267 587831103 /nfs/dbraw/zinc/83/11/03/587831103.db2.gz DZASZKSAWFRQPF-UHFFFAOYSA-N 1 2 234.303 1.116 20 30 BDEDLO CN(C)c1[nH+]cccc1CNC(=O)C#CC1CC1 ZINC000837342414 587867878 /nfs/dbraw/zinc/86/78/78/587867878.db2.gz RSJSQTSTBYRNOA-UHFFFAOYSA-N 1 2 243.310 1.177 20 30 BDEDLO C#CCNC(=S)N[C@H](C)c1[nH+]ccn1CC ZINC000840809457 587922801 /nfs/dbraw/zinc/92/28/01/587922801.db2.gz HAJSAGNNJIXNMY-SECBINFHSA-N 1 2 236.344 1.061 20 30 BDEDLO C=CCNC(=S)NCc1c[nH+]c(C)cc1C ZINC000840826083 587923744 /nfs/dbraw/zinc/92/37/44/587923744.db2.gz HARYEBFUOZPEIX-UHFFFAOYSA-N 1 2 235.356 1.849 20 30 BDEDLO CCn1c[nH+]cc1CN=Nc1ccc(C)nn1 ZINC000841622937 587961023 /nfs/dbraw/zinc/96/10/23/587961023.db2.gz CUEBUGGEMQUKMF-UHFFFAOYSA-N 1 2 230.275 1.447 20 30 BDEDLO CC(NNc1cccn[nH+]1)=C1CC1(F)F ZINC000841627333 587961425 /nfs/dbraw/zinc/96/14/25/587961425.db2.gz XAHAKCJZXISHEZ-ZETCQYMHSA-N 1 2 212.203 1.920 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cnc(C2CC2)nc1 ZINC000841636530 587963852 /nfs/dbraw/zinc/96/38/52/587963852.db2.gz OCJHWRRUTHLITG-UHFFFAOYSA-N 1 2 242.286 1.534 20 30 BDEDLO C#CCC[NH+]1CCN(C[C@@H](CC)OC)CC1 ZINC000842154916 588004319 /nfs/dbraw/zinc/00/43/19/588004319.db2.gz YWFCYZRPVZGMLY-CYBMUJFWSA-N 1 2 224.348 1.052 20 30 BDEDLO C#CC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000842636164 588047316 /nfs/dbraw/zinc/04/73/16/588047316.db2.gz GDQQGOKSKHMTLA-UHFFFAOYSA-N 1 2 248.286 1.402 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C\C2CCCC2)CC1 ZINC000843798638 588141170 /nfs/dbraw/zinc/14/11/70/588141170.db2.gz XWRRGOITUMVMIN-FPLPWBNLSA-N 1 2 246.354 1.510 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844325068 588181949 /nfs/dbraw/zinc/18/19/49/588181949.db2.gz SMFIIQKEUGRSCF-NSHDSACASA-N 1 2 217.316 1.673 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844325068 588181951 /nfs/dbraw/zinc/18/19/51/588181951.db2.gz SMFIIQKEUGRSCF-NSHDSACASA-N 1 2 217.316 1.673 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455539 588196310 /nfs/dbraw/zinc/19/63/10/588196310.db2.gz VQUBENUDXAUMHQ-LPEHRKFASA-N 1 2 225.242 1.627 20 30 BDEDLO N#CCC[C@@H](C#N)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455539 588196311 /nfs/dbraw/zinc/19/63/11/588196311.db2.gz VQUBENUDXAUMHQ-LPEHRKFASA-N 1 2 225.242 1.627 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccco1 ZINC000844531225 588200584 /nfs/dbraw/zinc/20/05/84/588200584.db2.gz NGSNOACBRNXLMX-FWWRYZNZSA-N 1 2 247.298 1.253 20 30 BDEDLO CCC(=CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CC ZINC000844528891 588200600 /nfs/dbraw/zinc/20/06/00/588200600.db2.gz MLDDOOWVPLWLHZ-ZDUSSCGKSA-N 1 2 237.347 1.693 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C=C1CCCC1 ZINC000844529237 588200602 /nfs/dbraw/zinc/20/06/02/588200602.db2.gz PNEFKXGWRWAGHB-CYBMUJFWSA-N 1 2 235.331 1.447 20 30 BDEDLO CC[C@H](C#N)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845487863 588230361 /nfs/dbraw/zinc/23/03/61/588230361.db2.gz XYOCNGLNHNRWJS-LLVKDONJSA-N 1 2 247.298 1.607 20 30 BDEDLO CC#CCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845511316 588231365 /nfs/dbraw/zinc/23/13/65/588231365.db2.gz RVNWOKYHYYBROW-UHFFFAOYSA-N 1 2 246.310 1.719 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H](CC=C)C1)C(=O)OC ZINC000845980324 588252647 /nfs/dbraw/zinc/25/26/47/588252647.db2.gz DWTSHDJBYTURRA-AGIUHOORSA-N 1 2 235.327 1.886 20 30 BDEDLO C=C(Cl)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000846931279 588297556 /nfs/dbraw/zinc/29/75/56/588297556.db2.gz HBWKMIFAZVMGIO-GFCCVEGCSA-N 1 2 244.766 1.536 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000847021695 588302562 /nfs/dbraw/zinc/30/25/62/588302562.db2.gz AUBBCVYRASETPS-NSHDSACASA-N 1 2 247.298 1.267 20 30 BDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000847021695 588302563 /nfs/dbraw/zinc/30/25/63/588302563.db2.gz AUBBCVYRASETPS-NSHDSACASA-N 1 2 247.298 1.267 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000847021900 588303020 /nfs/dbraw/zinc/30/30/20/588303020.db2.gz CURQQWWXWVJQFM-JTQLQIEISA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000847021900 588303021 /nfs/dbraw/zinc/30/30/21/588303021.db2.gz CURQQWWXWVJQFM-JTQLQIEISA-N 1 2 237.734 1.919 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000847024839 588303828 /nfs/dbraw/zinc/30/38/28/588303828.db2.gz TYJUZNATLFCHFG-JTQLQIEISA-N 1 2 219.288 1.477 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000847024839 588303829 /nfs/dbraw/zinc/30/38/29/588303829.db2.gz TYJUZNATLFCHFG-JTQLQIEISA-N 1 2 219.288 1.477 20 30 BDEDLO C(=NNCCCn1cc[nH+]c1)c1ccncc1 ZINC000848417478 588382107 /nfs/dbraw/zinc/38/21/07/588382107.db2.gz AUHUEXPTNHSTEC-UHFFFAOYSA-N 1 2 229.287 1.292 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000848494011 588388008 /nfs/dbraw/zinc/38/80/08/588388008.db2.gz SHRVNPCHVRLYNC-JTQLQIEISA-N 1 2 236.344 1.254 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000848494011 588388010 /nfs/dbraw/zinc/38/80/10/588388010.db2.gz SHRVNPCHVRLYNC-JTQLQIEISA-N 1 2 236.344 1.254 20 30 BDEDLO CC[NH2+]Cc1noc(CCCCC#N)n1 ZINC000848616986 588401743 /nfs/dbraw/zinc/40/17/43/588401743.db2.gz AFJGHSLTJIKQQS-UHFFFAOYSA-N 1 2 208.265 1.415 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cnc(Cl)n1C ZINC000848905039 588418646 /nfs/dbraw/zinc/41/86/46/588418646.db2.gz DSMYVGNQQMMLDS-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cnc(Cl)n1C ZINC000848905039 588418647 /nfs/dbraw/zinc/41/86/47/588418647.db2.gz DSMYVGNQQMMLDS-UHFFFAOYSA-N 1 2 243.738 1.708 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCCCc1[nH+]ccn1C ZINC000850969829 588580909 /nfs/dbraw/zinc/58/09/09/588580909.db2.gz JRLLYFMYJSECEU-JTQLQIEISA-N 1 2 235.287 1.446 20 30 BDEDLO CC[N@@H+](C[C@@H](O)c1ccccn1)C[C@H](C)C#N ZINC000851741289 588621352 /nfs/dbraw/zinc/62/13/52/588621352.db2.gz DAIXIDRJEJFLEE-DGCLKSJQSA-N 1 2 233.315 1.597 20 30 BDEDLO CC[N@H+](C[C@@H](O)c1ccccn1)C[C@H](C)C#N ZINC000851741289 588621353 /nfs/dbraw/zinc/62/13/53/588621353.db2.gz DAIXIDRJEJFLEE-DGCLKSJQSA-N 1 2 233.315 1.597 20 30 BDEDLO C=C(Cl)C[NH+]1CCN(CCC#N)CC1 ZINC000851873030 588637779 /nfs/dbraw/zinc/63/77/79/588637779.db2.gz UHEZKCGUOGCMIE-UHFFFAOYSA-N 1 2 213.712 1.270 20 30 BDEDLO C[C@H]([NH2+]Cc1cnon1)c1ccc(C#N)cc1 ZINC000851898750 588641842 /nfs/dbraw/zinc/64/18/42/588641842.db2.gz XKHXHGBQXYXJEH-VIFPVBQESA-N 1 2 228.255 1.792 20 30 BDEDLO CCn1ncc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000851920170 588643575 /nfs/dbraw/zinc/64/35/75/588643575.db2.gz LDVYUUCCBRUIIJ-UHFFFAOYSA-N 1 2 233.319 1.424 20 30 BDEDLO C#CCOCC[N@@H+](CC(=O)OCC)C1CCC1 ZINC000851939222 588646219 /nfs/dbraw/zinc/64/62/19/588646219.db2.gz BBQFBRQHYUFXCM-UHFFFAOYSA-N 1 2 239.315 1.054 20 30 BDEDLO C#CCOCC[N@H+](CC(=O)OCC)C1CCC1 ZINC000851939222 588646220 /nfs/dbraw/zinc/64/62/20/588646220.db2.gz BBQFBRQHYUFXCM-UHFFFAOYSA-N 1 2 239.315 1.054 20 30 BDEDLO C#C[C@H]([NH2+]Cc1coc(C)n1)[C@H]1CCCO1 ZINC000851950644 588647129 /nfs/dbraw/zinc/64/71/29/588647129.db2.gz QTJUPJXCGBOQJY-NWDGAFQWSA-N 1 2 220.272 1.253 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nc(C)oc1C)[C@@H]1CCCO1 ZINC000851951500 588647562 /nfs/dbraw/zinc/64/75/62/588647562.db2.gz XJEZQYJWWBXEIE-YPMHNXCESA-N 1 2 234.299 1.562 20 30 BDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851955204 588647571 /nfs/dbraw/zinc/64/75/71/588647571.db2.gz SREFDLZOIMMDSN-UHFFFAOYSA-N 1 2 239.706 1.791 20 30 BDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851955204 588647572 /nfs/dbraw/zinc/64/75/72/588647572.db2.gz SREFDLZOIMMDSN-UHFFFAOYSA-N 1 2 239.706 1.791 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1cnn(CC)n1 ZINC000851986327 588651618 /nfs/dbraw/zinc/65/16/18/588651618.db2.gz IPIGDIBAVVGZML-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1cnn(CC)n1 ZINC000851986327 588651619 /nfs/dbraw/zinc/65/16/19/588651619.db2.gz IPIGDIBAVVGZML-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(COC)no1 ZINC000852100093 588662561 /nfs/dbraw/zinc/66/25/61/588662561.db2.gz FBFIDKRKHSOGSI-BXKDBHETSA-N 1 2 237.303 1.669 20 30 BDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000852099719 588662694 /nfs/dbraw/zinc/66/26/94/588662694.db2.gz PKHTXDRALGEDDS-GZMMTYOYSA-N 1 2 207.277 1.831 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(COC)no1 ZINC000852100098 588662817 /nfs/dbraw/zinc/66/28/17/588662817.db2.gz FBFIDKRKHSOGSI-SKDRFNHKSA-N 1 2 237.303 1.669 20 30 BDEDLO C=CC[N@H+](Cc1nccc(C)n1)[C@H](C)COC ZINC000852357274 588679895 /nfs/dbraw/zinc/67/98/95/588679895.db2.gz ZNGYBDCRCQLGCL-GFCCVEGCSA-N 1 2 235.331 1.808 20 30 BDEDLO C=CC[N@@H+](Cc1nccc(C)n1)[C@H](C)COC ZINC000852357274 588679896 /nfs/dbraw/zinc/67/98/96/588679896.db2.gz ZNGYBDCRCQLGCL-GFCCVEGCSA-N 1 2 235.331 1.808 20 30 BDEDLO COCC[N@H+](CCF)Cc1ccc(C#N)cn1 ZINC000852480874 588684160 /nfs/dbraw/zinc/68/41/60/588684160.db2.gz DVUQEQUJXHKHHC-UHFFFAOYSA-N 1 2 237.278 1.371 20 30 BDEDLO COCC[N@@H+](CCF)Cc1ccc(C#N)cn1 ZINC000852480874 588684161 /nfs/dbraw/zinc/68/41/61/588684161.db2.gz DVUQEQUJXHKHHC-UHFFFAOYSA-N 1 2 237.278 1.371 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@]1(C)CCCS1)C(=O)OC ZINC000862392356 589207736 /nfs/dbraw/zinc/20/77/36/589207736.db2.gz KWXACUPURNVREV-CMPLNLGQSA-N 1 2 241.356 1.427 20 30 BDEDLO Cc1ccc2[nH+]cc(C=NN3CCOC3=O)n2c1 ZINC000863163177 589265980 /nfs/dbraw/zinc/26/59/80/589265980.db2.gz RPXGLSNIVFKKNZ-UHFFFAOYSA-N 1 2 244.254 1.429 20 30 BDEDLO Cc1ccn(C[NH+](C2CC2)C2CC2)c(=O)c1C#N ZINC000863302517 589277207 /nfs/dbraw/zinc/27/72/07/589277207.db2.gz GTKXJQALAOLGRY-UHFFFAOYSA-N 1 2 243.310 1.613 20 30 BDEDLO C=CCN(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000863942804 589328554 /nfs/dbraw/zinc/32/85/54/589328554.db2.gz ASQRCMMKRGUUIW-UHFFFAOYSA-N 1 2 221.304 1.765 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)N2CC(CC#N)C2)c[nH+]1 ZINC000864066717 589338564 /nfs/dbraw/zinc/33/85/64/589338564.db2.gz CEAAGPCBGYVUEE-UHFFFAOYSA-N 1 2 246.314 1.299 20 30 BDEDLO NC(=O)[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000864345691 589354076 /nfs/dbraw/zinc/35/40/76/589354076.db2.gz CURXHUBFPRYWKB-LKEXZZHASA-N 1 2 218.256 1.075 20 30 BDEDLO N#Cc1cccnc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928198 589469058 /nfs/dbraw/zinc/46/90/58/589469058.db2.gz SWVGWOGQSDTGKR-LBPRGKRZSA-N 1 2 248.305 1.799 20 30 BDEDLO N#Cc1cccnc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928198 589469059 /nfs/dbraw/zinc/46/90/59/589469059.db2.gz SWVGWOGQSDTGKR-LBPRGKRZSA-N 1 2 248.305 1.799 20 30 BDEDLO C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866212570 589480951 /nfs/dbraw/zinc/48/09/51/589480951.db2.gz SYBGSUOEJBYEKA-RKDXNWHRSA-N 1 2 220.272 1.295 20 30 BDEDLO Cc1cc(N2C[C@H](O)CC(C)(C)C2)c(C#N)c[nH+]1 ZINC000866228099 589481778 /nfs/dbraw/zinc/48/17/78/589481778.db2.gz HVJDHGRNPNAREY-GFCCVEGCSA-N 1 2 245.326 1.859 20 30 BDEDLO C[C@H]([NH2+]CC(C)(C)O)c1cccc(C#N)c1O ZINC000866262285 589483541 /nfs/dbraw/zinc/48/35/41/589483541.db2.gz QHIHROYLHGJRHA-VIFPVBQESA-N 1 2 234.299 1.685 20 30 BDEDLO C[C@@H]([NH2+]CC(C)(C)CO)c1cccc(C#N)c1O ZINC000866307790 589485340 /nfs/dbraw/zinc/48/53/40/589485340.db2.gz JNBLVVJKLJOSLM-SNVBAGLBSA-N 1 2 248.326 1.933 20 30 BDEDLO C[C@@H]([NH2+]CCCCO)c1cccc(C#N)c1O ZINC000866348433 589487512 /nfs/dbraw/zinc/48/75/12/589487512.db2.gz BHUBBIMLGUJZIL-SNVBAGLBSA-N 1 2 234.299 1.687 20 30 BDEDLO C[C@H]([NH2+]C/C=C/CO)c1cccc(C#N)c1O ZINC000866386349 589489329 /nfs/dbraw/zinc/48/93/29/589489329.db2.gz CSTXSHUXYNNWFC-PBKGFPTLSA-N 1 2 232.283 1.463 20 30 BDEDLO C#C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867501039 589522782 /nfs/dbraw/zinc/52/27/82/589522782.db2.gz BWORIYSNGUIAPB-NXEZZACHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867501039 589522784 /nfs/dbraw/zinc/52/27/84/589522784.db2.gz BWORIYSNGUIAPB-NXEZZACHSA-N 1 2 244.285 1.101 20 30 BDEDLO C#C[C@H](CCC)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868535322 589563335 /nfs/dbraw/zinc/56/33/35/589563335.db2.gz BCRIMRVIRNYHOS-SNVBAGLBSA-N 1 2 234.303 1.353 20 30 BDEDLO CC#CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000868678530 589572557 /nfs/dbraw/zinc/57/25/57/589572557.db2.gz KONULFYWKQZZNA-SECBINFHSA-N 1 2 205.261 1.104 20 30 BDEDLO C=CC[C@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000869244683 589593915 /nfs/dbraw/zinc/59/39/15/589593915.db2.gz ZAEZHOANBZOPIY-CMPLNLGQSA-N 1 2 249.314 1.258 20 30 BDEDLO Cn1c[nH+]cc1CCOC(=O)c1coc(C#N)c1 ZINC000870007052 589642131 /nfs/dbraw/zinc/64/21/31/589642131.db2.gz IHXIJBSGALVCIA-UHFFFAOYSA-N 1 2 245.238 1.284 20 30 BDEDLO CO[C@@H](C)C(N)=[NH+]OCCc1ccccc1 ZINC000123325621 589690775 /nfs/dbraw/zinc/69/07/75/589690775.db2.gz QCZYYPQQOAEQEE-JTQLQIEISA-N 1 2 222.288 1.553 20 30 BDEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccnn1C ZINC000871925622 589833349 /nfs/dbraw/zinc/83/33/49/589833349.db2.gz CZZCTDSPFQXXFQ-QWRGUYRKSA-N 1 2 231.303 1.514 20 30 BDEDLO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000871936643 589834913 /nfs/dbraw/zinc/83/49/13/589834913.db2.gz LRSYYMAKDDEQET-NEPJUHHUSA-N 1 2 243.314 1.879 20 30 BDEDLO Cc1ccnc(N=NC(C)c2cn(C)c[nH+]2)c1 ZINC000872356680 589917511 /nfs/dbraw/zinc/91/75/11/589917511.db2.gz XKYCTZJGJAJPID-UHFFFAOYSA-N 1 2 229.287 1.960 20 30 BDEDLO C(=NO[C@@H]1CCCCO1)c1c[nH]c2nc[nH+]cc12 ZINC000872360322 589918791 /nfs/dbraw/zinc/91/87/91/589918791.db2.gz IROQOGYBDRNNGP-LLVKDONJSA-N 1 2 246.270 1.787 20 30 BDEDLO C=CC[N@@H+](CCO)Cc1cccnc1Cl ZINC000124064330 589921249 /nfs/dbraw/zinc/92/12/49/589921249.db2.gz NUKGERZOGWADJN-UHFFFAOYSA-N 1 2 226.707 1.715 20 30 BDEDLO C=CC[N@H+](CCO)Cc1cccnc1Cl ZINC000124064330 589921250 /nfs/dbraw/zinc/92/12/50/589921250.db2.gz NUKGERZOGWADJN-UHFFFAOYSA-N 1 2 226.707 1.715 20 30 BDEDLO COc1ccc(N=NC(C)c2cn(C)c[nH+]2)nc1 ZINC000872367586 589921727 /nfs/dbraw/zinc/92/17/27/589921727.db2.gz ABXZPXVOZNRLGM-UHFFFAOYSA-N 1 2 245.286 1.660 20 30 BDEDLO Cn1c[nH+]cc1C=NNC[C@H]1CCCC1(F)F ZINC000872405269 589935361 /nfs/dbraw/zinc/93/53/61/589935361.db2.gz HMSJUIGQTFUFPD-SECBINFHSA-N 1 2 242.273 1.779 20 30 BDEDLO C#CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000873821800 590074056 /nfs/dbraw/zinc/07/40/56/590074056.db2.gz QFIQJQPJIOFYQQ-LLVKDONJSA-N 1 2 219.288 1.220 20 30 BDEDLO C=CCN(C(=O)Cc1[nH]cc(CC)[nH+]1)C(C)C ZINC000874351083 590105904 /nfs/dbraw/zinc/10/59/04/590105904.db2.gz CSIYZCISFKWCPK-UHFFFAOYSA-N 1 2 235.331 1.938 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@](C)(CC)OC ZINC000876609206 590221893 /nfs/dbraw/zinc/22/18/93/590221893.db2.gz JEAFLKIIAMPAHO-CYBMUJFWSA-N 1 2 243.347 1.853 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@](C)(CC)OC ZINC000876609206 590221894 /nfs/dbraw/zinc/22/18/94/590221894.db2.gz JEAFLKIIAMPAHO-CYBMUJFWSA-N 1 2 243.347 1.853 20 30 BDEDLO COc1c(C)c[nH+]c(CNC[C@H](C)C#N)c1C ZINC000877320931 590315073 /nfs/dbraw/zinc/31/50/73/590315073.db2.gz BNBLMXUEBJAKNK-SECBINFHSA-N 1 2 233.315 1.956 20 30 BDEDLO COc1c(C)cnc(C[NH2+]C[C@H](C)C#N)c1C ZINC000877320931 590315076 /nfs/dbraw/zinc/31/50/76/590315076.db2.gz BNBLMXUEBJAKNK-SECBINFHSA-N 1 2 233.315 1.956 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc(OC)s1 ZINC000877480366 590327765 /nfs/dbraw/zinc/32/77/65/590327765.db2.gz SOKCWRQFCUMIJC-QMMMGPOBSA-N 1 2 210.302 1.605 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cnc(OC)s1 ZINC000877480366 590327768 /nfs/dbraw/zinc/32/77/68/590327768.db2.gz SOKCWRQFCUMIJC-QMMMGPOBSA-N 1 2 210.302 1.605 20 30 BDEDLO N#CC1(C[NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000877493500 590340604 /nfs/dbraw/zinc/34/06/04/590340604.db2.gz CTLXHZILQJDVES-UHFFFAOYSA-N 1 2 222.679 1.523 20 30 BDEDLO N#Cc1c(F)cccc1C[NH+]1CC2(C1)CCOC2 ZINC000877553787 590356442 /nfs/dbraw/zinc/35/64/42/590356442.db2.gz BSSPEJJAHYUVRY-UHFFFAOYSA-N 1 2 246.285 1.920 20 30 BDEDLO C#CC[C@@H]([NH2+]CC1(C)CCCC1)C(=O)OC ZINC000877582536 590367204 /nfs/dbraw/zinc/36/72/04/590367204.db2.gz AEVXQVAIWDMNBY-LLVKDONJSA-N 1 2 223.316 1.721 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC ZINC000877583210 590367217 /nfs/dbraw/zinc/36/72/17/590367217.db2.gz MRWGMUJLYUHENZ-MNOVXSKESA-N 1 2 222.288 1.081 20 30 BDEDLO C=C(C)C[C@H]([NH2+][C@@H](C)COC(C)C)C(=O)OC ZINC000877689454 590391882 /nfs/dbraw/zinc/39/18/82/590391882.db2.gz GPCHHIVPGOSVKZ-RYUDHWBXSA-N 1 2 243.347 1.897 20 30 BDEDLO COCC[N@H+](CCC#N)CC[C@@H](O)C(C)C ZINC000878159120 590510037 /nfs/dbraw/zinc/51/00/37/590510037.db2.gz DYJMSDMCIWNUDF-GFCCVEGCSA-N 1 2 228.336 1.255 20 30 BDEDLO COCC[N@@H+](CCC#N)CC[C@@H](O)C(C)C ZINC000878159120 590510038 /nfs/dbraw/zinc/51/00/38/590510038.db2.gz DYJMSDMCIWNUDF-GFCCVEGCSA-N 1 2 228.336 1.255 20 30 BDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccnn1CCC ZINC000878167281 590513569 /nfs/dbraw/zinc/51/35/69/590513569.db2.gz RMRDYLDOZRJMJK-UHFFFAOYSA-N 1 2 248.330 1.187 20 30 BDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccnn1CCC ZINC000878167281 590513571 /nfs/dbraw/zinc/51/35/71/590513571.db2.gz RMRDYLDOZRJMJK-UHFFFAOYSA-N 1 2 248.330 1.187 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000878383511 590558129 /nfs/dbraw/zinc/55/81/29/590558129.db2.gz RMLWFXVHPWKTSO-GARJFASQSA-N 1 2 229.295 1.784 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000878383511 590558133 /nfs/dbraw/zinc/55/81/33/590558133.db2.gz RMLWFXVHPWKTSO-GARJFASQSA-N 1 2 229.295 1.784 20 30 BDEDLO C=CC[C@H]([NH2+]C1(C2CC2)CC1)C(=O)OC ZINC000878409316 590562269 /nfs/dbraw/zinc/56/22/69/590562269.db2.gz JGUICWLGPCFKLE-JTQLQIEISA-N 1 2 209.289 1.636 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nccn1CC(F)F ZINC000878514652 590584390 /nfs/dbraw/zinc/58/43/90/590584390.db2.gz YSHLVFNJZXYNQG-UHFFFAOYSA-N 1 2 241.285 1.992 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nccn1CC(F)F ZINC000878514652 590584391 /nfs/dbraw/zinc/58/43/91/590584391.db2.gz YSHLVFNJZXYNQG-UHFFFAOYSA-N 1 2 241.285 1.992 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878516177 590584778 /nfs/dbraw/zinc/58/47/78/590584778.db2.gz ADUNXZWGLGJECZ-LLVKDONJSA-N 1 2 245.388 1.543 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)(C)C ZINC000878516177 590584779 /nfs/dbraw/zinc/58/47/79/590584779.db2.gz ADUNXZWGLGJECZ-LLVKDONJSA-N 1 2 245.388 1.543 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccccn1 ZINC000878668519 590606904 /nfs/dbraw/zinc/60/69/04/590606904.db2.gz YDWDDRQOQSSLDV-LBPRGKRZSA-N 1 2 234.299 1.631 20 30 BDEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccn1 ZINC000878668519 590606905 /nfs/dbraw/zinc/60/69/05/590606905.db2.gz YDWDDRQOQSSLDV-LBPRGKRZSA-N 1 2 234.299 1.631 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878790926 590623202 /nfs/dbraw/zinc/62/32/02/590623202.db2.gz YBAGZLUWLGIWLA-NSHDSACASA-N 1 2 240.734 1.602 20 30 BDEDLO C=CCN1CC[C@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878790926 590623203 /nfs/dbraw/zinc/62/32/03/590623203.db2.gz YBAGZLUWLGIWLA-NSHDSACASA-N 1 2 240.734 1.602 20 30 BDEDLO C[C@H](CC#N)NCc1[nH+]ccn1CC(F)F ZINC000878819662 590627574 /nfs/dbraw/zinc/62/75/74/590627574.db2.gz ACUSQPOJMGQZDB-MRVPVSSYSA-N 1 2 228.246 1.540 20 30 BDEDLO C#CC[N@@H+](Cc1ccnc(F)c1)C1CSC1 ZINC000878910902 590646408 /nfs/dbraw/zinc/64/64/08/590646408.db2.gz ZDYXGDOMYIESAK-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@H+](Cc1ccnc(F)c1)C1CSC1 ZINC000878910902 590646414 /nfs/dbraw/zinc/64/64/14/590646414.db2.gz ZDYXGDOMYIESAK-UHFFFAOYSA-N 1 2 236.315 1.771 20 30 BDEDLO C#CC[N@@H+](Cc1ccc(C)cn1)C1CSC1 ZINC000878911913 590648583 /nfs/dbraw/zinc/64/85/83/590648583.db2.gz WRNTYJKMMUIDDY-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C#CC[N@H+](Cc1ccc(C)cn1)C1CSC1 ZINC000878911913 590648588 /nfs/dbraw/zinc/64/85/88/590648588.db2.gz WRNTYJKMMUIDDY-UHFFFAOYSA-N 1 2 232.352 1.941 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878975688 590666258 /nfs/dbraw/zinc/66/62/58/590666258.db2.gz GBEILSJCBXFWBI-RYUDHWBXSA-N 1 2 246.314 1.542 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878975688 590666260 /nfs/dbraw/zinc/66/62/60/590666260.db2.gz GBEILSJCBXFWBI-RYUDHWBXSA-N 1 2 246.314 1.542 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)OC ZINC000879052155 590687190 /nfs/dbraw/zinc/68/71/90/590687190.db2.gz MHUZXQTZAAZAFG-HTFCKZLJSA-N 1 2 241.331 1.506 20 30 BDEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccnn1C ZINC000879686918 590848974 /nfs/dbraw/zinc/84/89/74/590848974.db2.gz LLAUSDXSSKVPEO-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO CC#CC[N@@H+](CC(=O)NC)Cc1ccccc1 ZINC000879753727 590863947 /nfs/dbraw/zinc/86/39/47/590863947.db2.gz GUJQJJZBPMUXFS-UHFFFAOYSA-N 1 2 230.311 1.258 20 30 BDEDLO CC#CC[N@H+](CC(=O)NC)Cc1ccccc1 ZINC000879753727 590863949 /nfs/dbraw/zinc/86/39/49/590863949.db2.gz GUJQJJZBPMUXFS-UHFFFAOYSA-N 1 2 230.311 1.258 20 30 BDEDLO C#CCC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762576 590866279 /nfs/dbraw/zinc/86/62/79/590866279.db2.gz DSOJVXYDXQVAOO-SNVBAGLBSA-N 1 2 248.248 1.153 20 30 BDEDLO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762576 590866281 /nfs/dbraw/zinc/86/62/81/590866281.db2.gz DSOJVXYDXQVAOO-SNVBAGLBSA-N 1 2 248.248 1.153 20 30 BDEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](CCC#N)CC2 ZINC000880028833 590912333 /nfs/dbraw/zinc/91/23/33/590912333.db2.gz MAVWXPFOYIJBSV-UHFFFAOYSA-N 1 2 243.310 1.917 20 30 BDEDLO CC(=O)Nc1ccc2c(c1)C[N@H+](CCC#N)CC2 ZINC000880028833 590912335 /nfs/dbraw/zinc/91/23/35/590912335.db2.gz MAVWXPFOYIJBSV-UHFFFAOYSA-N 1 2 243.310 1.917 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167909 590949362 /nfs/dbraw/zinc/94/93/62/590949362.db2.gz ZYMYHGLGIAGORP-UHFFFAOYSA-N 1 2 228.723 1.484 20 30 BDEDLO C=C(Cl)C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880167909 590949364 /nfs/dbraw/zinc/94/93/64/590949364.db2.gz ZYMYHGLGIAGORP-UHFFFAOYSA-N 1 2 228.723 1.484 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000128337523 591000302 /nfs/dbraw/zinc/00/03/02/591000302.db2.gz LXRKSWUXOUYADF-ZDUSSCGKSA-N 1 2 232.327 1.120 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC000880337952 591008349 /nfs/dbraw/zinc/00/83/49/591008349.db2.gz TUIKNIFQANTNFD-LLVKDONJSA-N 1 2 227.304 1.120 20 30 BDEDLO C=CCCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880822923 591143856 /nfs/dbraw/zinc/14/38/56/591143856.db2.gz MQIMWIPZGNBMDM-UHFFFAOYSA-N 1 2 249.318 1.026 20 30 BDEDLO C=CCCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880822923 591143859 /nfs/dbraw/zinc/14/38/59/591143859.db2.gz MQIMWIPZGNBMDM-UHFFFAOYSA-N 1 2 249.318 1.026 20 30 BDEDLO Cc1nc(C#N)cc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000882626143 591402864 /nfs/dbraw/zinc/40/28/64/591402864.db2.gz VAIWSUVPRCJJEZ-MRVPVSSYSA-N 1 2 242.286 1.563 20 30 BDEDLO C#CC[C@@H](COC)Nc1cc(CO)cc[nH+]1 ZINC000882671792 591408991 /nfs/dbraw/zinc/40/89/91/591408991.db2.gz RRNYYEUJBQGQGQ-NSHDSACASA-N 1 2 220.272 1.024 20 30 BDEDLO C#CC1(NC(=O)NCc2c[nH+]cn2C)CCCC1 ZINC000883701729 591723227 /nfs/dbraw/zinc/72/32/27/591723227.db2.gz VXBPOCJLZDIOTG-UHFFFAOYSA-N 1 2 246.314 1.165 20 30 BDEDLO CCn1cc(C[NH+]2CCC(C#N)CC2)nn1 ZINC000883999088 591790357 /nfs/dbraw/zinc/79/03/57/591790357.db2.gz BRPGIEZELLZTAF-UHFFFAOYSA-N 1 2 219.292 1.034 20 30 BDEDLO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)CC#N ZINC000134897121 591958079 /nfs/dbraw/zinc/95/80/79/591958079.db2.gz GZVVBKZTJXLVAO-ZETCQYMHSA-N 1 2 226.711 1.774 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NC1=[NH+]CCS1 ZINC000134911845 591958852 /nfs/dbraw/zinc/95/88/52/591958852.db2.gz VSBMLZBAVFGASB-JTQLQIEISA-N 1 2 212.318 1.808 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@](C)(O)C(F)F ZINC000885979541 592120155 /nfs/dbraw/zinc/12/01/55/592120155.db2.gz FYEZSSAUVGFFHE-CBAPKCEASA-N 1 2 206.236 1.094 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@](C)(O)C(F)F ZINC000885979541 592120158 /nfs/dbraw/zinc/12/01/58/592120158.db2.gz FYEZSSAUVGFFHE-CBAPKCEASA-N 1 2 206.236 1.094 20 30 BDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)CC1(C#N)CCC1 ZINC000886091888 592146051 /nfs/dbraw/zinc/14/60/51/592146051.db2.gz IWXHCSUSLLHSCZ-LLVKDONJSA-N 1 2 248.330 1.286 20 30 BDEDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)CC1(C#N)CCC1 ZINC000886091888 592146052 /nfs/dbraw/zinc/14/60/52/592146052.db2.gz IWXHCSUSLLHSCZ-LLVKDONJSA-N 1 2 248.330 1.286 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)CCCCC ZINC000076185219 592314562 /nfs/dbraw/zinc/31/45/62/592314562.db2.gz IFDXFSGGPHOXAC-CQSZACIVSA-N 1 2 248.370 1.640 20 30 BDEDLO C=CC(C)(C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890100413 592679143 /nfs/dbraw/zinc/67/91/43/592679143.db2.gz WRGBVNWEVGFECZ-UHFFFAOYSA-N 1 2 221.304 1.639 20 30 BDEDLO N#CCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336105350 634595893 /nfs/dbraw/zinc/59/58/93/634595893.db2.gz XCLJBHSBTDPHHR-UHFFFAOYSA-N 1 2 247.302 1.212 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000932154842 635602183 /nfs/dbraw/zinc/60/21/83/635602183.db2.gz OVOSQEPOHHWZOO-JTQLQIEISA-N 1 2 221.329 1.921 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCc2cncs2)C1 ZINC000932154842 635602186 /nfs/dbraw/zinc/60/21/86/635602186.db2.gz OVOSQEPOHHWZOO-JTQLQIEISA-N 1 2 221.329 1.921 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538970 631398899 /nfs/dbraw/zinc/39/88/99/631398899.db2.gz NIRPNMFYOYWGKM-DGCLKSJQSA-N 1 2 248.330 1.486 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933538970 631398904 /nfs/dbraw/zinc/39/89/04/631398904.db2.gz NIRPNMFYOYWGKM-DGCLKSJQSA-N 1 2 248.330 1.486 20 30 BDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CO)c1F ZINC000934013772 631593470 /nfs/dbraw/zinc/59/34/70/631593470.db2.gz BHRWYVNMKJKETP-NSHDSACASA-N 1 2 220.247 1.264 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CO)c1F ZINC000934013772 631593475 /nfs/dbraw/zinc/59/34/75/631593475.db2.gz BHRWYVNMKJKETP-NSHDSACASA-N 1 2 220.247 1.264 20 30 BDEDLO N#CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000425999164 635661722 /nfs/dbraw/zinc/66/17/22/635661722.db2.gz BWFFDBGESJJABR-UHFFFAOYSA-N 1 2 225.255 1.209 20 30 BDEDLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000934108563 631680658 /nfs/dbraw/zinc/68/06/58/631680658.db2.gz ROHHBUTZCCXWPG-VHSXEESVSA-N 1 2 237.328 1.624 20 30 BDEDLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000934108563 631680662 /nfs/dbraw/zinc/68/06/62/631680662.db2.gz ROHHBUTZCCXWPG-VHSXEESVSA-N 1 2 237.328 1.624 20 30 BDEDLO C#CCC[NH2+]C(CC)(CC)C(=O)OCC ZINC000309039199 631808248 /nfs/dbraw/zinc/80/82/48/631808248.db2.gz KDLMDAMBPYMWQJ-UHFFFAOYSA-N 1 2 211.305 1.721 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nnnn1C1CC1 ZINC000934462387 631854762 /nfs/dbraw/zinc/85/47/62/631854762.db2.gz UAUSXRIHHFOFAP-UWVGGRQHSA-N 1 2 233.319 1.719 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nnnn1C1CC1 ZINC000934462387 631854766 /nfs/dbraw/zinc/85/47/66/631854766.db2.gz UAUSXRIHHFOFAP-UWVGGRQHSA-N 1 2 233.319 1.719 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cccnn1 ZINC000934462948 631857676 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/nfs/dbraw/zinc/51/65/66/640516566.db2.gz CHNCUYTYHNNBJS-NSHDSACASA-N 1 2 211.305 1.672 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2ccsc2)C1 ZINC001030082545 640581795 /nfs/dbraw/zinc/58/17/95/640581795.db2.gz ACHDDIRHHXUDHV-UHFFFAOYSA-N 1 2 234.324 1.185 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)oc2C)C1 ZINC001030097272 640590967 /nfs/dbraw/zinc/59/09/67/640590967.db2.gz YEEYHPHZSCKZRK-UHFFFAOYSA-N 1 2 246.310 1.334 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001030185414 640666911 /nfs/dbraw/zinc/66/69/11/640666911.db2.gz FADIHCJTGDLSPY-WDNDVIMCSA-N 1 2 248.370 1.799 20 30 BDEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933256907 640692886 /nfs/dbraw/zinc/69/28/86/640692886.db2.gz JIRFESJPPKETLP-ZDUSSCGKSA-N 1 2 235.331 1.198 20 30 BDEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(ncn2CC)C1 ZINC000933256907 640692888 /nfs/dbraw/zinc/69/28/88/640692888.db2.gz JIRFESJPPKETLP-ZDUSSCGKSA-N 1 2 235.331 1.198 20 30 BDEDLO C=C(C)[C@H](CO)N1CCc2c([nH+]cn2CC)C1 ZINC000933256907 640692890 /nfs/dbraw/zinc/69/28/90/640692890.db2.gz JIRFESJPPKETLP-ZDUSSCGKSA-N 1 2 235.331 1.198 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001030356996 640787542 /nfs/dbraw/zinc/78/75/42/640787542.db2.gz WYCJYYUEYHYFMY-VXGBXAGGSA-N 1 2 236.359 1.799 20 30 BDEDLO Cc1cc(NC(=O)N2CC(CC#N)C2)c(C)c[nH+]1 ZINC000596814706 640854860 /nfs/dbraw/zinc/85/48/60/640854860.db2.gz PRWBUGSSIRADCU-UHFFFAOYSA-N 1 2 244.298 1.498 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001030562111 640917619 /nfs/dbraw/zinc/91/76/19/640917619.db2.gz FWYKXSVQYWKUQO-BNOWGMLFSA-N 1 2 248.370 1.799 20 30 BDEDLO C#CC1(O)C[NH+](C[C@H](CC)CC(F)F)C1 ZINC000934449608 641148746 /nfs/dbraw/zinc/14/87/46/641148746.db2.gz FGTKRFDTPWPTCV-SECBINFHSA-N 1 2 217.259 1.348 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000934470123 641163644 /nfs/dbraw/zinc/16/36/44/641163644.db2.gz BAVKWUPJYJGVGL-NSHDSACASA-N 1 2 248.330 1.615 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000934470123 641163649 /nfs/dbraw/zinc/16/36/49/641163649.db2.gz BAVKWUPJYJGVGL-NSHDSACASA-N 1 2 248.330 1.615 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001030707663 641311708 /nfs/dbraw/zinc/31/17/08/641311708.db2.gz UWMOGSGUXSUWAO-BXUZGUMPSA-N 1 2 234.343 1.553 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001030813022 641364433 /nfs/dbraw/zinc/36/44/33/641364433.db2.gz GGQXFPPMKRBBAX-LBPRGKRZSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001031178360 641777794 /nfs/dbraw/zinc/77/77/94/641777794.db2.gz QJFZKZVRYDNZEK-ZFWWWQNUSA-N 1 2 248.370 1.492 20 30 BDEDLO NC(=[NH+]OCC[C@H]1CCCO1)c1ccccc1 ZINC000189165492 641792390 /nfs/dbraw/zinc/79/23/90/641792390.db2.gz FGQXNUAJDPBALX-GFCCVEGCSA-N 1 2 234.299 1.893 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CC2)C1 ZINC000949536854 641839694 /nfs/dbraw/zinc/83/96/94/641839694.db2.gz OPDJAAWCAQXFQC-UHFFFAOYSA-N 1 2 208.305 1.115 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(C)CCCC2)CC1 ZINC000949532576 641840475 /nfs/dbraw/zinc/84/04/75/641840475.db2.gz SRWJPRFVLSWHIW-UHFFFAOYSA-N 1 2 236.359 1.897 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000949631853 641847280 /nfs/dbraw/zinc/84/72/80/641847280.db2.gz UWQSSDKIBLRGIV-UHFFFAOYSA-N 1 2 236.359 1.919 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000950024456 641883836 /nfs/dbraw/zinc/88/38/36/641883836.db2.gz NGZGDKLSWQMDCR-UHFFFAOYSA-N 1 2 234.343 1.673 20 30 BDEDLO CC[N@@H+](Cc1ccc(N)nc1)C[C@H](C)C#N ZINC000050817209 642337199 /nfs/dbraw/zinc/33/71/99/642337199.db2.gz COXFJXYPRDSPGK-SNVBAGLBSA-N 1 2 218.304 1.645 20 30 BDEDLO CC[N@H+](Cc1ccc(N)nc1)C[C@H](C)C#N ZINC000050817209 642337203 /nfs/dbraw/zinc/33/72/03/642337203.db2.gz COXFJXYPRDSPGK-SNVBAGLBSA-N 1 2 218.304 1.645 20 30 BDEDLO C=CC[N@@H+](C)Cn1cc(C(=O)OCC)cn1 ZINC000154990381 642347165 /nfs/dbraw/zinc/34/71/65/642347165.db2.gz YSZJURFZVIUFAE-UHFFFAOYSA-N 1 2 223.276 1.135 20 30 BDEDLO C=CC[N@H+](C)Cn1cc(C(=O)OCC)cn1 ZINC000154990381 642347173 /nfs/dbraw/zinc/34/71/73/642347173.db2.gz YSZJURFZVIUFAE-UHFFFAOYSA-N 1 2 223.276 1.135 20 30 BDEDLO C#CCC1([NH2+][C@@H](C)c2noc(C)n2)CCC1 ZINC000933296575 642506515 /nfs/dbraw/zinc/50/65/15/642506515.db2.gz KEMONZNWRSDCTR-VIFPVBQESA-N 1 2 219.288 1.975 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CC ZINC001017804488 642981114 /nfs/dbraw/zinc/98/11/14/642981114.db2.gz KUISRNKNCXBQNN-GRYCIOLGSA-N 1 2 238.306 1.043 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CC ZINC001017804488 642981125 /nfs/dbraw/zinc/98/11/25/642981125.db2.gz KUISRNKNCXBQNN-GRYCIOLGSA-N 1 2 238.306 1.043 20 30 BDEDLO C=C(C)C[N@H+](C)CN1CC(C)(C)OC1=O ZINC000182616104 643041984 /nfs/dbraw/zinc/04/19/84/643041984.db2.gz WZMXSJOPILAFGK-UHFFFAOYSA-N 1 2 212.293 1.683 20 30 BDEDLO C=C(C)C[N@@H+](C)CN1CC(C)(C)OC1=O ZINC000182616104 643041990 /nfs/dbraw/zinc/04/19/90/643041990.db2.gz WZMXSJOPILAFGK-UHFFFAOYSA-N 1 2 212.293 1.683 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](O)C(C)(C)C 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Cc1[nH]c(CN[C@H](CC#N)C(F)(F)F)[nH+]c1C ZINC000922650425 644058046 /nfs/dbraw/zinc/05/80/46/644058046.db2.gz PYNFYVRPRPVJFA-MRVPVSSYSA-N 1 2 246.236 1.961 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000956965405 644672573 /nfs/dbraw/zinc/67/25/73/644672573.db2.gz SLRSZBNPOXVZMB-QWHCGFSZSA-N 1 2 236.359 1.609 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)c2oncc2C)CC1 ZINC000957045170 644678529 /nfs/dbraw/zinc/67/85/29/644678529.db2.gz RZGZFBPAUPCKML-UHFFFAOYSA-N 1 2 249.314 1.317 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC000957798932 644755542 /nfs/dbraw/zinc/75/55/42/644755542.db2.gz JDSXKHOXIVWVKZ-GFCCVEGCSA-N 1 2 236.359 1.753 20 30 BDEDLO C#CCC(CC#C)C(=O)OCCn1cc[nH+]c1 ZINC000803698227 644850048 /nfs/dbraw/zinc/85/00/48/644850048.db2.gz JAONVHQXRUBGMO-UHFFFAOYSA-N 1 2 230.267 1.089 20 30 BDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000829997943 645113516 /nfs/dbraw/zinc/11/35/16/645113516.db2.gz FEFBUNGNRZYLBA-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000829997943 645113517 /nfs/dbraw/zinc/11/35/17/645113517.db2.gz FEFBUNGNRZYLBA-LBPRGKRZSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000829997939 645113535 /nfs/dbraw/zinc/11/35/35/645113535.db2.gz FEFBUNGNRZYLBA-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000829997939 645113539 /nfs/dbraw/zinc/11/35/39/645113539.db2.gz FEFBUNGNRZYLBA-GFCCVEGCSA-N 1 2 235.262 1.071 20 30 BDEDLO CC[C@H]([NH2+]C/C=C/CO)c1cccc(C#N)c1O ZINC000926689209 645356910 /nfs/dbraw/zinc/35/69/10/645356910.db2.gz NRCWBHBJTIOMSX-OOPCZODUSA-N 1 2 246.310 1.853 20 30 BDEDLO C#CC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000884594955 645875958 /nfs/dbraw/zinc/87/59/58/645875958.db2.gz WAFHWPIAYDJAIT-NSHDSACASA-N 1 2 201.273 1.635 20 30 BDEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cnn(C)n1 ZINC000924638599 646083262 /nfs/dbraw/zinc/08/32/62/646083262.db2.gz FKHHWPAYOZMCGP-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO COC(=O)/C=C(\C)C[N@H+](C)C[C@H](C)C#N ZINC000929471787 646122848 /nfs/dbraw/zinc/12/28/48/646122848.db2.gz KCERRSZUVXYQIZ-NAZIUFLLSA-N 1 2 210.277 1.197 20 30 BDEDLO COC(=O)/C=C(\C)C[N@@H+](C)C[C@H](C)C#N ZINC000929471787 646122851 /nfs/dbraw/zinc/12/28/51/646122851.db2.gz KCERRSZUVXYQIZ-NAZIUFLLSA-N 1 2 210.277 1.197 20 30 BDEDLO C#CC[NH+](CC#C)CCc1ccns1 ZINC000929758558 646290814 /nfs/dbraw/zinc/29/08/14/646290814.db2.gz QUCZXHCSCHELDL-UHFFFAOYSA-N 1 2 204.298 1.254 20 30 BDEDLO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000929785864 646314986 /nfs/dbraw/zinc/31/49/86/646314986.db2.gz FRBHAVOLYNOQPJ-CHWSQXEVSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CC[C@@H](O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000929785864 646314990 /nfs/dbraw/zinc/31/49/90/646314990.db2.gz FRBHAVOLYNOQPJ-CHWSQXEVSA-N 1 2 234.274 1.847 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cn(C)cn1)[C@@H]1CCCO1 ZINC000926208800 646595519 /nfs/dbraw/zinc/59/55/19/646595519.db2.gz AEQCDVWERHDGLH-MDZLAQPJSA-N 1 2 233.315 1.252 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721502047 711571484 /nfs/dbraw/zinc/57/14/84/711571484.db2.gz KSRRWHQFHJTDOF-IUCAKERBSA-N 1 2 236.237 1.942 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721502047 711571486 /nfs/dbraw/zinc/57/14/86/711571486.db2.gz KSRRWHQFHJTDOF-IUCAKERBSA-N 1 2 236.237 1.942 20 30 BDEDLO Nc1ccc(C=[NH+]OC/C=C\Cl)cn1 ZINC000379577846 712388819 /nfs/dbraw/zinc/38/88/19/712388819.db2.gz RVOFVKSYOMAAJF-HDFQWQTNSA-N 1 2 211.652 1.597 20 30 BDEDLO CCc1nc([C@@H](C)[NH2+]C[C@H](O)CC#N)cs1 ZINC000381470907 710641710 /nfs/dbraw/zinc/64/17/10/710641710.db2.gz OKTOAXJIBZQVCD-RKDXNWHRSA-N 1 2 239.344 1.631 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001038939704 710714131 /nfs/dbraw/zinc/71/41/31/710714131.db2.gz SDLQRJMOTCQXRH-MGPQQGTHSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001038939704 710714136 /nfs/dbraw/zinc/71/41/36/710714136.db2.gz SDLQRJMOTCQXRH-MGPQQGTHSA-N 1 2 248.370 1.636 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001039019070 710718454 /nfs/dbraw/zinc/71/84/54/710718454.db2.gz OLXGYUVXQUAHLL-AWEZNQCLSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001039019070 710718457 /nfs/dbraw/zinc/71/84/57/710718457.db2.gz OLXGYUVXQUAHLL-AWEZNQCLSA-N 1 2 246.354 1.557 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc2n1CCOC2 ZINC000722836183 710722743 /nfs/dbraw/zinc/72/27/43/710722743.db2.gz TUIYUKZBVJKJBB-SNVBAGLBSA-N 1 2 234.303 1.195 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2)C1 ZINC001042423990 710782103 /nfs/dbraw/zinc/78/21/03/710782103.db2.gz LCMNHZQJYGGGJU-UHFFFAOYSA-N 1 2 242.322 1.466 20 30 BDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2[nH]ccc2C)C1 ZINC001042679203 710796026 /nfs/dbraw/zinc/79/60/26/710796026.db2.gz ILPCKTYJHALSIG-UHFFFAOYSA-N 1 2 245.326 1.103 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2C=CC=CC=C2)C1 ZINC001042812636 710800255 /nfs/dbraw/zinc/80/02/55/710800255.db2.gz XAINXLFBHTZUTM-UHFFFAOYSA-N 1 2 244.338 1.613 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001043392974 710807893 /nfs/dbraw/zinc/80/78/93/710807893.db2.gz ZNZQKSBSAUQTNE-JSGCOSHPSA-N 1 2 248.370 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001043924086 710815359 /nfs/dbraw/zinc/81/53/59/710815359.db2.gz HXYSDSCHPNESAX-ZYHUDNBSSA-N 1 2 222.332 1.361 20 30 BDEDLO C#Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000390206157 711108488 /nfs/dbraw/zinc/10/84/88/711108488.db2.gz SITSCOQYDSCUPX-UHFFFAOYSA-N 1 2 212.252 1.946 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038140469 711592209 /nfs/dbraw/zinc/59/22/09/711592209.db2.gz KASZYHSDQSFUED-NSHDSACASA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038140469 711592211 /nfs/dbraw/zinc/59/22/11/711592211.db2.gz KASZYHSDQSFUED-NSHDSACASA-N 1 2 248.370 1.492 20 30 BDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721541562 711620068 /nfs/dbraw/zinc/62/00/68/711620068.db2.gz TZATZSOWROHKBU-BXUZGUMPSA-N 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1.211 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1F ZINC001038844705 711751126 /nfs/dbraw/zinc/75/11/26/711751126.db2.gz VCGWOIOBYQRION-SNVBAGLBSA-N 1 2 249.289 1.211 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898505150 711801706 /nfs/dbraw/zinc/80/17/06/711801706.db2.gz UUHGDXFWVGRKEN-GHMZBOCLSA-N 1 2 241.310 1.086 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898505150 711801707 /nfs/dbraw/zinc/80/17/07/711801707.db2.gz UUHGDXFWVGRKEN-GHMZBOCLSA-N 1 2 241.310 1.086 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898505152 711801848 /nfs/dbraw/zinc/80/18/48/711801848.db2.gz UUHGDXFWVGRKEN-QWRGUYRKSA-N 1 2 241.310 1.086 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898505152 711801849 /nfs/dbraw/zinc/80/18/49/711801849.db2.gz UUHGDXFWVGRKEN-QWRGUYRKSA-N 1 2 241.310 1.086 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1C ZINC001038066214 711807638 /nfs/dbraw/zinc/80/76/38/711807638.db2.gz XWEJZKYJNWJTOQ-LLVKDONJSA-N 1 2 234.299 1.578 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C ZINC001038066214 711807639 /nfs/dbraw/zinc/80/76/39/711807639.db2.gz XWEJZKYJNWJTOQ-LLVKDONJSA-N 1 2 234.299 1.578 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)C2CCC2)C1 ZINC001030506987 711835610 /nfs/dbraw/zinc/83/56/10/711835610.db2.gz XHZYMYNEGYLHAA-NSHDSACASA-N 1 2 234.343 1.246 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001030798540 711843111 /nfs/dbraw/zinc/84/31/11/711843111.db2.gz UCVUHLYMMHHJSP-CYBMUJFWSA-N 1 2 246.354 1.557 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)(C)C1 ZINC001032385082 711916055 /nfs/dbraw/zinc/91/60/55/711916055.db2.gz DVOFUBJBHHWVAZ-STQMWFEESA-N 1 2 246.354 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)(C)C1 ZINC001032385082 711916057 /nfs/dbraw/zinc/91/60/57/711916057.db2.gz DVOFUBJBHHWVAZ-STQMWFEESA-N 1 2 246.354 1.341 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC1 ZINC001032566439 711926271 /nfs/dbraw/zinc/92/62/71/711926271.db2.gz NKNFWMKQCAFCSI-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC1 ZINC001032566439 711926272 /nfs/dbraw/zinc/92/62/72/711926272.db2.gz NKNFWMKQCAFCSI-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CC2)C1 ZINC001032619916 711929299 /nfs/dbraw/zinc/92/92/99/711929299.db2.gz LEOXPHIEPFSZJC-STQMWFEESA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CC2)C1 ZINC001032619916 711929301 /nfs/dbraw/zinc/92/93/01/711929301.db2.gz LEOXPHIEPFSZJC-STQMWFEESA-N 1 2 244.338 1.095 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CC2 ZINC001032649308 711931334 /nfs/dbraw/zinc/93/13/34/711931334.db2.gz GBTPGZPMLVZBEE-RWMBFGLXSA-N 1 2 244.338 1.095 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CC2 ZINC001032649308 711931336 /nfs/dbraw/zinc/93/13/36/711931336.db2.gz GBTPGZPMLVZBEE-RWMBFGLXSA-N 1 2 244.338 1.095 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032660972 711932556 /nfs/dbraw/zinc/93/25/56/711932556.db2.gz RLXADBYYMYVPGD-AVGNSLFASA-N 1 2 234.343 1.197 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032660972 711932557 /nfs/dbraw/zinc/93/25/57/711932557.db2.gz RLXADBYYMYVPGD-AVGNSLFASA-N 1 2 234.343 1.197 20 30 BDEDLO CC(C)(C)C#CC(=O)OCc1ccc[nH+]c1N ZINC000922791079 711975955 /nfs/dbraw/zinc/97/59/55/711975955.db2.gz GMQCWMOMZNLFTA-UHFFFAOYSA-N 1 2 232.283 1.757 20 30 BDEDLO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCC#N)CO1 ZINC000703310966 712071846 /nfs/dbraw/zinc/07/18/46/712071846.db2.gz ORFWMKXVZNWNQQ-SECBINFHSA-N 1 2 241.291 1.041 20 30 BDEDLO Cc1ccnc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000707917071 712173115 /nfs/dbraw/zinc/17/31/15/712173115.db2.gz MECVURFPKOACNQ-LBPRGKRZSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1ccnc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000707917071 712173116 /nfs/dbraw/zinc/17/31/16/712173116.db2.gz MECVURFPKOACNQ-LBPRGKRZSA-N 1 2 230.315 1.911 20 30 BDEDLO C[N@H+](CCC#N)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715407209 712517024 /nfs/dbraw/zinc/51/70/24/712517024.db2.gz MSUNLFHFTNRQRD-NWDGAFQWSA-N 1 2 208.305 1.789 20 30 BDEDLO C[N@@H+](CCC#N)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715407209 712517025 /nfs/dbraw/zinc/51/70/25/712517025.db2.gz MSUNLFHFTNRQRD-NWDGAFQWSA-N 1 2 208.305 1.789 20 30 BDEDLO C#CC[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000884596644 712647583 /nfs/dbraw/zinc/64/75/83/712647583.db2.gz IGIZFLMKFSLHNG-LLVKDONJSA-N 1 2 216.284 1.424 20 30 BDEDLO C#CC[C@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000717738680 712668142 /nfs/dbraw/zinc/66/81/42/712668142.db2.gz FKWGGCVJJNBMSG-SNVBAGLBSA-N 1 2 229.283 1.037 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932164153 959406140 /nfs/dbraw/zinc/40/61/40/959406140.db2.gz YJYNMWBIYOOSMB-NWDGAFQWSA-N 1 2 240.347 1.398 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932164153 959406146 /nfs/dbraw/zinc/40/61/46/959406146.db2.gz YJYNMWBIYOOSMB-NWDGAFQWSA-N 1 2 240.347 1.398 20 30 BDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C ZINC001032747197 967195535 /nfs/dbraw/zinc/19/55/35/967195535.db2.gz PWYDCLYHUINVFG-RYUDHWBXSA-N 1 2 234.343 1.341 20 30 BDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C ZINC001032747197 967195544 /nfs/dbraw/zinc/19/55/44/967195544.db2.gz PWYDCLYHUINVFG-RYUDHWBXSA-N 1 2 234.343 1.341 20 30 BDEDLO C=CCOC[C@@H](O)CNc1[nH+]cccc1OC ZINC001252454567 968709227 /nfs/dbraw/zinc/70/92/27/968709227.db2.gz QQXLAZPULVCGPF-JTQLQIEISA-N 1 2 238.287 1.066 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252549047 968789202 /nfs/dbraw/zinc/78/92/02/968789202.db2.gz ZTKOAGYVGMRGOL-VHSXEESVSA-N 1 2 219.275 1.901 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252549047 968789215 /nfs/dbraw/zinc/78/92/15/968789215.db2.gz ZTKOAGYVGMRGOL-VHSXEESVSA-N 1 2 219.275 1.901 20 30 BDEDLO C=CCC[C@H](O)CNc1[nH+]cccc1O ZINC001252588022 968843251 /nfs/dbraw/zinc/84/32/51/968843251.db2.gz IRWBJKIEMFWFBR-VIFPVBQESA-N 1 2 208.261 1.526 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](CC=C)C(=O)OC ZINC001252617700 968876789 /nfs/dbraw/zinc/87/67/89/968876789.db2.gz IXFRNIKLXFKGBD-GHMZBOCLSA-N 1 2 227.304 1.021 20 30 BDEDLO CC[C@H]1C[C@@H]([NH+]2CC(C)(C#N)C2)CCO1 ZINC001170205063 970575683 /nfs/dbraw/zinc/57/56/83/970575683.db2.gz UEORMYSESDCQIL-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C#CC[N@@H+](Cc1snnc1C)CC1CC1 ZINC001332539245 975202675 /nfs/dbraw/zinc/20/26/75/975202675.db2.gz NFKMMGVXEVYRET-UHFFFAOYSA-N 1 2 221.329 1.692 20 30 BDEDLO C#CC[N@H+](Cc1snnc1C)CC1CC1 ZINC001332539245 975202682 /nfs/dbraw/zinc/20/26/82/975202682.db2.gz NFKMMGVXEVYRET-UHFFFAOYSA-N 1 2 221.329 1.692 20 30 BDEDLO CC[NH+]1CC(Oc2cc(C)cc(C#N)c2)C1 ZINC001227835675 975724048 /nfs/dbraw/zinc/72/40/48/975724048.db2.gz MJVUZSRKXLLFNI-UHFFFAOYSA-N 1 2 216.284 1.950 20 30 BDEDLO CC[NH+]1CC(Oc2ccccc2/C=N/N)C1 ZINC001229286468 976811359 /nfs/dbraw/zinc/81/13/59/976811359.db2.gz RRKUJOQHARDWLK-VGOFMYFVSA-N 1 2 219.288 1.062 20 30 BDEDLO Cc1ccncc1C[N@@H+]1CC[C@H](C#N)C1 ZINC000259952280 977034989 /nfs/dbraw/zinc/03/49/89/977034989.db2.gz IWGGEYPXKKZYBY-LLVKDONJSA-N 1 2 201.273 1.736 20 30 BDEDLO Cc1ccncc1C[N@H+]1CC[C@H](C#N)C1 ZINC000259952280 977035000 /nfs/dbraw/zinc/03/50/00/977035000.db2.gz IWGGEYPXKKZYBY-LLVKDONJSA-N 1 2 201.273 1.736 20 30 BDEDLO C#CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232845945 978312384 /nfs/dbraw/zinc/31/23/84/978312384.db2.gz ZLRZPNDYVDQNPT-UHFFFAOYSA-N 1 2 245.351 1.371 20 30 BDEDLO O=C1C=C2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]2S1 ZINC001202488676 983765701 /nfs/dbraw/zinc/76/57/01/983765701.db2.gz SFQKJSGXCWMKNG-KOLCDFICSA-N 1 2 239.340 1.297 20 30 BDEDLO O=C1C=C2C[N@H+](C[C@H]3CCOC3)CC[C@@H]2S1 ZINC001202488676 983765705 /nfs/dbraw/zinc/76/57/05/983765705.db2.gz SFQKJSGXCWMKNG-KOLCDFICSA-N 1 2 239.340 1.297 20 30 BDEDLO C=C(C(=O)NCCc1[nH+]ccn1C)C(F)(F)F ZINC001144215677 972684651 /nfs/dbraw/zinc/68/46/51/972684651.db2.gz BALYBKWZDCXPMU-UHFFFAOYSA-N 1 2 247.220 1.197 20 30 BDEDLO CCOC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001256439822 970842306 /nfs/dbraw/zinc/84/23/06/970842306.db2.gz RXQGNWNTZBTVEL-CPCZMJQVSA-N 1 2 237.347 1.131 20 30 BDEDLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C#N)cc(C)[nH+]1 ZINC001130044443 970918701 /nfs/dbraw/zinc/91/87/01/970918701.db2.gz CGMCEIHGESZBDJ-VXGBXAGGSA-N 1 2 229.283 1.474 20 30 BDEDLO C#Cc1cncc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000806347270 971016641 /nfs/dbraw/zinc/01/66/41/971016641.db2.gz IRQDRQYFIFWXRI-UHFFFAOYSA-N 1 2 237.262 1.441 20 30 BDEDLO Cc1cc(C2=C[NH2+]CCC2)nc(C#N)n1 ZINC001243949837 971038071 /nfs/dbraw/zinc/03/80/71/971038071.db2.gz RFPMBBCJLLZQOP-UHFFFAOYSA-N 1 2 200.245 1.381 20 30 BDEDLO COC(=O)CC1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001256990530 971058486 /nfs/dbraw/zinc/05/84/86/971058486.db2.gz IXLNPIKAODDZNZ-VOMCLLRMSA-N 1 2 238.331 1.952 20 30 BDEDLO COC(=O)CC1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001256990530 971058491 /nfs/dbraw/zinc/05/84/91/971058491.db2.gz IXLNPIKAODDZNZ-VOMCLLRMSA-N 1 2 238.331 1.952 20 30 BDEDLO C[C@@H]1C[C@@H]([NH+]2CC(C)(C#N)C2)C[C@H](C)O1 ZINC001257089036 971099135 /nfs/dbraw/zinc/09/91/35/971099135.db2.gz DJIZYQGTCXRRSM-JGPRNRPPSA-N 1 2 208.305 1.788 20 30 BDEDLO CC[C@H](C#N)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257858316 971505295 /nfs/dbraw/zinc/50/52/95/971505295.db2.gz NFGHVLUCVHMPHE-HSOILSAZSA-N 1 2 224.304 1.610 20 30 BDEDLO CCCCCCC[C@@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001258042767 971564840 /nfs/dbraw/zinc/56/48/40/971564840.db2.gz YGPBHQDTRHPWQV-VXGBXAGGSA-N 1 2 245.363 1.859 20 30 BDEDLO C#CCN1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000189976280 972010341 /nfs/dbraw/zinc/01/03/41/972010341.db2.gz QYKXGEMSGBTBRJ-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cncc(C)c2)CC1 ZINC000189976280 972010346 /nfs/dbraw/zinc/01/03/46/972010346.db2.gz QYKXGEMSGBTBRJ-UHFFFAOYSA-N 1 2 229.327 1.141 20 30 BDEDLO Cc1cccn2c(CN3CC[C@H](C#N)C3)c[nH+]c12 ZINC001136965755 972307581 /nfs/dbraw/zinc/30/75/81/972307581.db2.gz ZXROFTHNQTYBSA-GFCCVEGCSA-N 1 2 240.310 1.988 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cncc(Cl)c2)CC1 ZINC001136996451 972314724 /nfs/dbraw/zinc/31/47/24/972314724.db2.gz JEQYPDFEACRERR-UHFFFAOYSA-N 1 2 249.745 1.486 20 30 BDEDLO O=C(CCS)N1CCC(n2cc[nH+]c2)CC1 ZINC001143986127 972444409 /nfs/dbraw/zinc/44/44/09/972444409.db2.gz GBQWKWIHUIDAKA-UHFFFAOYSA-N 1 2 239.344 1.367 20 30 BDEDLO C=CCOC(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140708222 960521470 /nfs/dbraw/zinc/52/14/70/960521470.db2.gz UUCCSUDVXYTNHZ-UHFFFAOYSA-N 1 2 249.314 1.455 20 30 BDEDLO N#CCC1C[NH+](Cc2c(N)cccc2F)C1 ZINC001140871771 960654932 /nfs/dbraw/zinc/65/49/32/960654932.db2.gz HACWITSNINOVQY-UHFFFAOYSA-N 1 2 219.263 1.753 20 30 BDEDLO C[N@H+](CCC#N)Cc1cc(O)ccc1O ZINC001141155638 960892592 /nfs/dbraw/zinc/89/25/92/960892592.db2.gz CGZLCCIISUXQOZ-UHFFFAOYSA-N 1 2 206.245 1.443 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cc(O)ccc1O ZINC001141155638 960892593 /nfs/dbraw/zinc/89/25/93/960892593.db2.gz CGZLCCIISUXQOZ-UHFFFAOYSA-N 1 2 206.245 1.443 20 30 BDEDLO CSc1nc(C[NH+]2CCC2)ccc1C#N ZINC001141929164 961181586 /nfs/dbraw/zinc/18/15/86/961181586.db2.gz OHFIYLPERPFJKF-UHFFFAOYSA-N 1 2 219.313 1.881 20 30 BDEDLO N#Cc1nc(NC=[NH2+])ccc1C(F)(F)F ZINC001167863254 961326854 /nfs/dbraw/zinc/32/68/54/961326854.db2.gz ANMWXTJDBXRGQH-UHFFFAOYSA-N 1 2 214.150 1.991 20 30 BDEDLO N#C[C@@H]1CC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689493 961625755 /nfs/dbraw/zinc/62/57/55/961625755.db2.gz GZLLBAPSRLJIER-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689493 961625769 /nfs/dbraw/zinc/62/57/69/961625769.db2.gz GZLLBAPSRLJIER-JTQLQIEISA-N 1 2 226.283 1.908 20 30 BDEDLO C[N@H+](CCC#N)Cc1cccc2nonc21 ZINC001203124454 961762680 /nfs/dbraw/zinc/76/26/80/961762680.db2.gz MOCIXFZNWLCZBX-UHFFFAOYSA-N 1 2 216.244 1.568 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cccc2nonc21 ZINC001203124454 961762687 /nfs/dbraw/zinc/76/26/87/961762687.db2.gz MOCIXFZNWLCZBX-UHFFFAOYSA-N 1 2 216.244 1.568 20 30 BDEDLO Cc1ccc(CN2CCCC[C@@H]2C#N)c(N)[nH+]1 ZINC001143210021 961956826 /nfs/dbraw/zinc/95/68/26/961956826.db2.gz YCLRCKRPIYYFTD-GFCCVEGCSA-N 1 2 230.315 1.850 20 30 BDEDLO Cn1ncc(C#N)c1Nc1ccn2cc[nH+]c2c1 ZINC001204951260 962157605 /nfs/dbraw/zinc/15/76/05/962157605.db2.gz PUUWQEYRUXUYSD-UHFFFAOYSA-N 1 2 238.254 1.683 20 30 BDEDLO N#C[C@H]1C[NH2+]CCN1c1cc2ccccc2cn1 ZINC001156321212 963313778 /nfs/dbraw/zinc/31/37/78/963313778.db2.gz USDPLXAUAKPEJR-ZDUSSCGKSA-N 1 2 238.294 1.537 20 30 BDEDLO CCCCc1cc(N2CC[NH2+]C[C@@H]2C#N)ncn1 ZINC001156333157 963315353 /nfs/dbraw/zinc/31/53/53/963315353.db2.gz UEWVAOMGUWNPSM-LBPRGKRZSA-N 1 2 245.330 1.121 20 30 BDEDLO N#Cc1cnc(NCc2cc[nH+]c(N)c2)c(F)c1 ZINC001156756856 963455490 /nfs/dbraw/zinc/45/54/90/963455490.db2.gz IIBLMJZTUGHGMR-UHFFFAOYSA-N 1 2 243.245 1.682 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156799846 963466546 /nfs/dbraw/zinc/46/65/46/963466546.db2.gz GAQURVSWSDYXPQ-CYBMUJFWSA-N 1 2 245.282 1.600 20 30 BDEDLO C[C@H](C#N)N(C)C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156970410 963501237 /nfs/dbraw/zinc/50/12/37/963501237.db2.gz CVWMLVSTCKCECX-SSDOTTSWSA-N 1 2 243.270 1.129 20 30 BDEDLO CCN(CCn1cc[nH+]c1)c1cncc(C#N)n1 ZINC001157460168 963621754 /nfs/dbraw/zinc/62/17/54/963621754.db2.gz QNAQPBVIFRQTHL-UHFFFAOYSA-N 1 2 242.286 1.071 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N(CC)CC)nc[nH+]1 ZINC001158814678 963932774 /nfs/dbraw/zinc/93/27/74/963932774.db2.gz MAZYLLDFVABTAS-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO C=C[C@@H](CO)Nc1cc(N(CC)CC)[nH+]cn1 ZINC001158814678 963932781 /nfs/dbraw/zinc/93/27/81/963932781.db2.gz MAZYLLDFVABTAS-JTQLQIEISA-N 1 2 236.319 1.282 20 30 BDEDLO Cc1ncc(CNc2[nH+]cccc2CC#N)cn1 ZINC001168385046 965103526 /nfs/dbraw/zinc/10/35/26/965103526.db2.gz VOFBBCUXNCBWSA-UHFFFAOYSA-N 1 2 239.282 1.858 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001483673032 965417635 /nfs/dbraw/zinc/41/76/35/965417635.db2.gz MCEHTSMRPBZTIV-DZGCQCFKSA-N 1 2 246.354 1.557 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001483673032 965417645 /nfs/dbraw/zinc/41/76/45/965417645.db2.gz MCEHTSMRPBZTIV-DZGCQCFKSA-N 1 2 246.354 1.557 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000698995598 965664190 /nfs/dbraw/zinc/66/41/90/965664190.db2.gz DFCIFWBRIPAUPN-ONGXEEELSA-N 1 2 248.273 1.271 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000698995598 965664193 /nfs/dbraw/zinc/66/41/93/965664193.db2.gz DFCIFWBRIPAUPN-ONGXEEELSA-N 1 2 248.273 1.271 20 30 BDEDLO C=CC(N[C@H](C)C(=O)N(CC)CC)=[NH+]COC ZINC001164610162 965932331 /nfs/dbraw/zinc/93/23/31/965932331.db2.gz JNUQCBANHIFRHW-SNVBAGLBSA-N 1 2 241.335 1.021 20 30 BDEDLO Cn1cccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001203258823 966586404 /nfs/dbraw/zinc/58/64/04/966586404.db2.gz XLRJDIWHTLGVAS-LBPRGKRZSA-N 1 2 248.351 1.799 20 30 BDEDLO Cn1cccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001203258823 966586415 /nfs/dbraw/zinc/58/64/15/966586415.db2.gz XLRJDIWHTLGVAS-LBPRGKRZSA-N 1 2 248.351 1.799 20 30 BDEDLO CNc1ccc(Nc2c(C#N)ncn2C)c[nH+]1 ZINC001203452176 966654452 /nfs/dbraw/zinc/65/44/52/966654452.db2.gz HFCRYQKBIWLEIT-UHFFFAOYSA-N 1 2 228.259 1.472 20 30 BDEDLO C#CC[N@@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC001203512168 966667184 /nfs/dbraw/zinc/66/71/84/966667184.db2.gz GKFWXKQMCZSMBY-UHFFFAOYSA-N 1 2 249.310 1.777 20 30 BDEDLO C#CC[N@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC001203512168 966667198 /nfs/dbraw/zinc/66/71/98/966667198.db2.gz GKFWXKQMCZSMBY-UHFFFAOYSA-N 1 2 249.310 1.777 20 30 BDEDLO Cc1cc(F)ncc1C[NH2+][C@H](C)CC#N ZINC001203523057 966674792 /nfs/dbraw/zinc/67/47/92/966674792.db2.gz WVTVDRKZNOLXQX-SECBINFHSA-N 1 2 207.252 1.921 20 30 BDEDLO C=CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203760914 966775485 /nfs/dbraw/zinc/77/54/85/966775485.db2.gz SOPBMAGKCSCSNZ-UHFFFAOYSA-N 1 2 241.338 1.862 20 30 BDEDLO CN(C)C(=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC001204371833 966985642 /nfs/dbraw/zinc/98/56/42/966985642.db2.gz PKLJRHPAZVCTAE-UHFFFAOYSA-N 1 2 243.310 1.078 20 30 BDEDLO N#Cc1cc(F)cc(C[NH+]2CC(CO)C2)c1 ZINC000163478761 967763201 /nfs/dbraw/zinc/76/32/01/967763201.db2.gz YKSRQKYUKOYACP-UHFFFAOYSA-N 1 2 220.247 1.121 20 30 BDEDLO C#CCSCCNc1cc[nH+]cc1F ZINC000699717304 968094712 /nfs/dbraw/zinc/09/47/12/968094712.db2.gz JVTMNUTYGVIOBK-UHFFFAOYSA-N 1 2 210.277 1.421 20 30 BDEDLO N#Cc1ccc2cc[nH+]c(N3CC(O)C3)c2c1 ZINC001166937982 968396367 /nfs/dbraw/zinc/39/63/67/968396367.db2.gz XWCQKNNEAIKCJK-UHFFFAOYSA-N 1 2 225.251 1.287 20 30 BDEDLO C[N@@H+]1CCC12CN(Cc1ccc(C#N)cc1O)C2 ZINC001276494240 968487089 /nfs/dbraw/zinc/48/70/89/968487089.db2.gz QUIMJBHQAGQSJT-UHFFFAOYSA-N 1 2 243.310 1.154 20 30 BDEDLO C[N@H+]1CCC12CN(Cc1ccc(C#N)cc1O)C2 ZINC001276494240 968487101 /nfs/dbraw/zinc/48/71/01/968487101.db2.gz QUIMJBHQAGQSJT-UHFFFAOYSA-N 1 2 243.310 1.154 20 30 BDEDLO C=C[C@H](COC)[NH2+]Cc1nnc(C)s1 ZINC001120040504 968513216 /nfs/dbraw/zinc/51/32/16/968513216.db2.gz ZHZDQYRMPVFLPX-MRVPVSSYSA-N 1 2 213.306 1.137 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@@H](O)CCCC)C(=O)OC ZINC001252119652 968606947 /nfs/dbraw/zinc/60/69/47/968606947.db2.gz CXYVYKMLTMTVMY-WCQYABFASA-N 1 2 243.347 1.635 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCCC1=O ZINC001207103357 968633119 /nfs/dbraw/zinc/63/31/19/968633119.db2.gz UNVUHOHFJXPMJR-NSHDSACASA-N 1 2 245.326 1.698 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCCC1=O ZINC001207103357 968633127 /nfs/dbraw/zinc/63/31/27/968633127.db2.gz UNVUHOHFJXPMJR-NSHDSACASA-N 1 2 245.326 1.698 20 30 BDEDLO Cn1cc(C[N@@H+]2CCOC3(CC3)C2)cc1C#N ZINC001207111083 968639210 /nfs/dbraw/zinc/63/92/10/968639210.db2.gz ZBJPVFCBNHWKTD-UHFFFAOYSA-N 1 2 231.299 1.262 20 30 BDEDLO Cn1cc(C[N@H+]2CCOC3(CC3)C2)cc1C#N ZINC001207111083 968639215 /nfs/dbraw/zinc/63/92/15/968639215.db2.gz ZBJPVFCBNHWKTD-UHFFFAOYSA-N 1 2 231.299 1.262 20 30 BDEDLO Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)C#N)c[nH+]1 ZINC000826670978 968674436 /nfs/dbraw/zinc/67/44/36/968674436.db2.gz OVTSNTJIQRVMCY-JTQLQIEISA-N 1 2 248.330 1.545 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001085476252 968755183 /nfs/dbraw/zinc/75/51/83/968755183.db2.gz VSRFUJCPCFRJOE-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001085476252 968755191 /nfs/dbraw/zinc/75/51/91/968755191.db2.gz VSRFUJCPCFRJOE-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001085484445 968763072 /nfs/dbraw/zinc/76/30/72/968763072.db2.gz DBEBBMLLPUINCG-CYBMUJFWSA-N 1 2 246.310 1.449 20 30 BDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001085484445 968763081 /nfs/dbraw/zinc/76/30/81/968763081.db2.gz DBEBBMLLPUINCG-CYBMUJFWSA-N 1 2 246.310 1.449 20 30 BDEDLO C=C[C@](C)(O)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001252571244 968820383 /nfs/dbraw/zinc/82/03/83/968820383.db2.gz GPICROQCPOGCBN-CABZTGNLSA-N 1 2 229.320 1.243 20 30 BDEDLO C=C[C@](C)(O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252560723 968807872 /nfs/dbraw/zinc/80/78/72/968807872.db2.gz VSVIROXWRHTXGW-VIFPVBQESA-N 1 2 233.258 1.033 20 30 BDEDLO C=C[C@](C)(O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252564617 968813849 /nfs/dbraw/zinc/81/38/49/968813849.db2.gz IQZJWMOTELYPEM-ZDUSSCGKSA-N 1 2 231.299 1.922 20 30 BDEDLO C=CCC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001252588440 968846414 /nfs/dbraw/zinc/84/64/14/968846414.db2.gz NRHPRRZJNAWDPK-VIFPVBQESA-N 1 2 247.302 1.102 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085776089 968848721 /nfs/dbraw/zinc/84/87/21/968848721.db2.gz JCIRCMFMGLKMNN-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085776089 968848728 /nfs/dbraw/zinc/84/87/28/968848728.db2.gz JCIRCMFMGLKMNN-LBPRGKRZSA-N 1 2 246.310 1.368 20 30 BDEDLO C=CCC[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252593339 968850647 /nfs/dbraw/zinc/85/06/47/968850647.db2.gz GUGMGQQJKBECRU-JQWIXIFHSA-N 1 2 236.315 1.874 20 30 BDEDLO C=CCC[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252602766 968860244 /nfs/dbraw/zinc/86/02/44/968860244.db2.gz GBQAJQJLHIHCFK-SNVBAGLBSA-N 1 2 247.285 1.424 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252621882 968884323 /nfs/dbraw/zinc/88/43/23/968884323.db2.gz JPYLLNFCCOKADR-SNVBAGLBSA-N 1 2 237.303 1.284 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](O)CCCCC)C(=O)OC ZINC001253554585 969227065 /nfs/dbraw/zinc/22/70/65/969227065.db2.gz LITVKFNRYPAVCM-RYUDHWBXSA-N 1 2 243.347 1.635 20 30 BDEDLO C=C[C@H](O)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001253590794 969279493 /nfs/dbraw/zinc/27/94/93/969279493.db2.gz XXKVFLGMQKCVDA-AWEZNQCLSA-N 1 2 243.310 1.890 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001253602152 969295559 /nfs/dbraw/zinc/29/55/59/969295559.db2.gz CYSDGXHTVZVSHF-DCAQKATOSA-N 1 2 229.320 1.101 20 30 BDEDLO C=C[C@@H](O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001253609654 969311080 /nfs/dbraw/zinc/31/10/80/969311080.db2.gz WXQVLKOMRAGXAG-LLVKDONJSA-N 1 2 241.331 1.389 20 30 BDEDLO CC[C@H](C#N)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168989332 969345205 /nfs/dbraw/zinc/34/52/05/969345205.db2.gz WAFDRGOSWFXHLR-OPRDCNLKSA-N 1 2 211.265 1.324 20 30 BDEDLO C[C@H](C#N)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046905 969365141 /nfs/dbraw/zinc/36/51/41/969365141.db2.gz OGQNEMTYUFMROP-BBBLOLIVSA-N 1 2 211.265 1.276 20 30 BDEDLO C[C@H](C#N)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046905 969365147 /nfs/dbraw/zinc/36/51/47/969365147.db2.gz OGQNEMTYUFMROP-BBBLOLIVSA-N 1 2 211.265 1.276 20 30 BDEDLO Cc1noc(C2([NH2+][C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC001254647286 969760316 /nfs/dbraw/zinc/76/03/16/969760316.db2.gz BSZUWRBRHZPDPS-UWVGGRQHSA-N 1 2 232.287 1.649 20 30 BDEDLO CC[N@H+](CC(=O)OC)[C@H]1CC[C@H](C#N)C1 ZINC001254680517 969777338 /nfs/dbraw/zinc/77/73/38/969777338.db2.gz WSOKDHPZSPVIPV-UWVGGRQHSA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@@H+](CC(=O)OC)[C@H]1CC[C@H](C#N)C1 ZINC001254680517 969777347 /nfs/dbraw/zinc/77/73/47/969777347.db2.gz WSOKDHPZSPVIPV-UWVGGRQHSA-N 1 2 210.277 1.174 20 30 BDEDLO CCOC(=O)C[N@H+](CC)[C@H]1CC[C@@H](C#N)C1 ZINC001254673466 969778964 /nfs/dbraw/zinc/77/89/64/969778964.db2.gz LFYQQVGQSQDGKD-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO CCOC(=O)C[N@@H+](CC)[C@H]1CC[C@@H](C#N)C1 ZINC001254673466 969778970 /nfs/dbraw/zinc/77/89/70/969778970.db2.gz LFYQQVGQSQDGKD-MNOVXSKESA-N 1 2 224.304 1.564 20 30 BDEDLO Cc1[nH+]cc(Nc2cn(C)nc2C#N)cc1N ZINC001210287247 969853066 /nfs/dbraw/zinc/85/30/66/969853066.db2.gz OGSOXRWGVOMGDZ-UHFFFAOYSA-N 1 2 228.259 1.321 20 30 BDEDLO C=C[C@@H](CO)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC001169781426 969856986 /nfs/dbraw/zinc/85/69/86/969856986.db2.gz WIDHXMRHMINNBI-JTQLQIEISA-N 1 2 249.314 1.630 20 30 BDEDLO C[N@H+](CCC#N)C1CCC(S(C)(=O)=O)CC1 ZINC001169871024 969878081 /nfs/dbraw/zinc/87/80/81/969878081.db2.gz PZLUQIZVWSOXJN-UHFFFAOYSA-N 1 2 244.360 1.188 20 30 BDEDLO C[N@@H+](CCC#N)C1CCC(S(C)(=O)=O)CC1 ZINC001169871024 969878083 /nfs/dbraw/zinc/87/80/83/969878083.db2.gz PZLUQIZVWSOXJN-UHFFFAOYSA-N 1 2 244.360 1.188 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1CCF ZINC001255161926 969970315 /nfs/dbraw/zinc/97/03/15/969970315.db2.gz 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/nfs/dbraw/zinc/33/49/67/970334967.db2.gz PZFYHUBOESPNJE-UHFFFAOYSA-N 1 2 213.244 1.338 20 30 BDEDLO C[C@H]1CC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001170116644 970337653 /nfs/dbraw/zinc/33/76/53/970337653.db2.gz FOOLYXKBZKWQAM-QWRGUYRKSA-N 1 2 208.305 1.837 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCC)OC)CC1 ZINC001113186945 970385504 /nfs/dbraw/zinc/38/55/04/970385504.db2.gz LPKSDIYHWUFFJG-LBPRGKRZSA-N 1 2 240.347 1.132 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001113215254 970386713 /nfs/dbraw/zinc/38/67/13/970386713.db2.gz KNHOFSFLMQDKOT-MLPAPPSSSA-N 1 2 234.343 1.839 20 30 BDEDLO C[N@@H+]1CCO[C@H](CSc2ccncc2C#N)C1 ZINC000400775767 970623361 /nfs/dbraw/zinc/62/33/61/970623361.db2.gz NLJQFLCNRFLZQA-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO C[N@H+]1CCO[C@H](CSc2ccncc2C#N)C1 ZINC000400775767 970623368 /nfs/dbraw/zinc/62/33/68/970623368.db2.gz NLJQFLCNRFLZQA-NSHDSACASA-N 1 2 249.339 1.376 20 30 BDEDLO C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC001327707727 972706511 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CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C#N)ccc1C ZINC001445215562 984584551 /nfs/dbraw/zinc/58/45/51/984584551.db2.gz OOQGYSFFNPMODU-CYBMUJFWSA-N 1 2 243.310 1.899 20 30 BDEDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C#N)ccc1C ZINC001445215562 984584564 /nfs/dbraw/zinc/58/45/64/984584564.db2.gz OOQGYSFFNPMODU-CYBMUJFWSA-N 1 2 243.310 1.899 20 30 BDEDLO N#CCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000291766267 984620203 /nfs/dbraw/zinc/62/02/03/984620203.db2.gz VEFWCLBODXXDGO-LLVKDONJSA-N 1 2 246.314 1.810 20 30 BDEDLO C=C/C(=[NH+]\COC)c1ccc(F)c(N)c1 ZINC001243453130 984955804 /nfs/dbraw/zinc/95/58/04/984955804.db2.gz NLGNAWMFUXFWPI-SDNWHVSQSA-N 1 2 208.236 1.987 20 30 BDEDLO Cc1ccnc(C#N)c1-c1ccc[nH+]c1N ZINC001243476920 985036677 /nfs/dbraw/zinc/03/66/77/985036677.db2.gz FYZLAIHKCOMRAD-UHFFFAOYSA-N 1 2 210.240 1.906 20 30 BDEDLO CCNc1ccc(Nc2ccncc2C#N)c[nH+]1 ZINC001458731554 985346620 /nfs/dbraw/zinc/34/66/20/985346620.db2.gz RXFGFTPWTBFCBR-UHFFFAOYSA-N 1 2 239.282 1.946 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000949708658 985466610 /nfs/dbraw/zinc/46/66/10/985466610.db2.gz DMMYFMXRMNZXON-AWEZNQCLSA-N 1 2 234.343 1.673 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1csnc1OC ZINC001459941788 985672365 /nfs/dbraw/zinc/67/23/65/985672365.db2.gz VCNAKWSEPJERMX-UHFFFAOYSA-N 1 2 224.329 1.995 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1csnc1OC ZINC001459941788 985672374 /nfs/dbraw/zinc/67/23/74/985672374.db2.gz VCNAKWSEPJERMX-UHFFFAOYSA-N 1 2 224.329 1.995 20 30 BDEDLO N#CCC1(O)C[NH+](C[C@@H]2CCCCC2(F)F)C1 ZINC001459993080 985694243 /nfs/dbraw/zinc/69/42/43/985694243.db2.gz PWKFWMULWAWEAW-JTQLQIEISA-N 1 2 244.285 1.772 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(N(C)C)n1 ZINC001460210047 985804937 /nfs/dbraw/zinc/80/49/37/985804937.db2.gz LJRBFKFCPCEWRB-LLVKDONJSA-N 1 2 232.331 1.929 20 30 BDEDLO CCC[C@H](C#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001464574531 986645955 /nfs/dbraw/zinc/64/59/55/986645955.db2.gz UGEMCAVZDSTCRM-GHMZBOCLSA-N 1 2 246.314 1.254 20 30 BDEDLO Cc1cc(-c2cncnc2C#N)c[nH+]c1N ZINC001245536874 986916434 /nfs/dbraw/zinc/91/64/34/986916434.db2.gz NNQPQMBWEIBFHQ-UHFFFAOYSA-N 1 2 211.228 1.301 20 30 BDEDLO C#CC[NH+]1CCN([C@@H](C)CC(F)(F)F)CC1 ZINC001255656706 987052639 /nfs/dbraw/zinc/05/26/39/987052639.db2.gz ZUSGTXHBTPFJGC-JTQLQIEISA-N 1 2 234.265 1.578 20 30 BDEDLO C=CCCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116633671 987651739 /nfs/dbraw/zinc/65/17/39/987651739.db2.gz CGXKZFWEHTVGIE-LLVKDONJSA-N 1 2 221.304 1.917 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/CC ZINC001480094174 987943405 /nfs/dbraw/zinc/94/34/05/987943405.db2.gz OHGGMSACLQCGOB-GJRRHXBRSA-N 1 2 246.354 1.651 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/CC ZINC001480094174 987943415 /nfs/dbraw/zinc/94/34/15/987943415.db2.gz OHGGMSACLQCGOB-GJRRHXBRSA-N 1 2 246.354 1.651 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001118092227 988014401 /nfs/dbraw/zinc/01/44/01/988014401.db2.gz DRMHOBWZSSDSJK-SRVKXCTJSA-N 1 2 249.314 1.151 20 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BDEDLO N#CC[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001118777979 988578930 /nfs/dbraw/zinc/57/89/30/988578930.db2.gz PPDYDPQRYJYIPG-LLVKDONJSA-N 1 2 246.314 1.495 20 30 BDEDLO C[C@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC(C)(C)C1 ZINC001246887999 988656895 /nfs/dbraw/zinc/65/68/95/988656895.db2.gz PIKOSZCYFIBROC-XQQFMLRXSA-N 1 2 235.375 1.999 20 30 BDEDLO C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC001324810034 988990686 /nfs/dbraw/zinc/99/06/86/988990686.db2.gz OUUFHCJHOGVVIA-SKDRFNHKSA-N 1 2 232.287 1.253 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC001325228593 989127062 /nfs/dbraw/zinc/12/70/62/989127062.db2.gz QFEIFROTIMWJNS-JTQLQIEISA-N 1 2 207.277 1.187 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC001325228593 989127068 /nfs/dbraw/zinc/12/70/68/989127068.db2.gz QFEIFROTIMWJNS-JTQLQIEISA-N 1 2 207.277 1.187 20 30 BDEDLO C#CCCCC(=O)OCc1c[nH+]cn1CC ZINC001520442745 989562332 /nfs/dbraw/zinc/56/23/32/989562332.db2.gz RMGSRIZQNRIYFP-UHFFFAOYSA-N 1 2 220.272 1.750 20 30 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QFRFHGWXRHGWHV-YPMHNXCESA-N 1 2 218.300 1.811 20 30 BDEDLO C=C[C@H]([NH2+][C@@H](C)CCC1CC1)C(=O)OC ZINC000308899808 346930587 /nfs/dbraw/zinc/93/05/87/346930587.db2.gz BBUDOCDDZLPDHN-ONGXEEELSA-N 1 2 211.305 1.882 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000602870371 349801654 /nfs/dbraw/zinc/80/16/54/349801654.db2.gz SOSSPCOJRHMJLY-SNVBAGLBSA-N 1 2 242.282 1.389 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000602870369 349801888 /nfs/dbraw/zinc/80/18/88/349801888.db2.gz SOSSPCOJRHMJLY-JTQLQIEISA-N 1 2 242.282 1.389 20 30 BDEDLO Cc1nc(C(C)(C)[NH2+]CCOCCC#N)no1 ZINC000292902485 136289232 /nfs/dbraw/zinc/28/92/32/136289232.db2.gz WDHCUKMMDDYQLH-UHFFFAOYSA-N 1 2 238.291 1.133 20 30 BDEDLO C[N@H+](Cc1ccon1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293093245 136289346 /nfs/dbraw/zinc/28/93/46/136289346.db2.gz NIOXVAXIJWJEGK-MWLCHTKSSA-N 1 2 205.261 1.799 20 30 BDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293093245 136289347 /nfs/dbraw/zinc/28/93/47/136289347.db2.gz NIOXVAXIJWJEGK-MWLCHTKSSA-N 1 2 205.261 1.799 20 30 BDEDLO C=CCC(CC=C)C(=O)NCCc1c[nH+]cn1C ZINC000121263624 343265231 /nfs/dbraw/zinc/26/52/31/343265231.db2.gz FNRJVLQSYJWKRO-UHFFFAOYSA-N 1 2 247.342 1.847 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000609166560 343323397 /nfs/dbraw/zinc/32/33/97/343323397.db2.gz GZVAAUBENXWHAP-NSHDSACASA-N 1 2 234.303 1.281 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCCCC ZINC000299217619 343398097 /nfs/dbraw/zinc/39/80/97/343398097.db2.gz IBSFMQKADNPPTG-ZDUSSCGKSA-N 1 2 234.343 1.250 20 30 BDEDLO C=CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000335720928 136345950 /nfs/dbraw/zinc/34/59/50/136345950.db2.gz STYXPSQBVIVJFS-UHFFFAOYSA-N 1 2 230.271 1.950 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000165488447 343449345 /nfs/dbraw/zinc/44/93/45/343449345.db2.gz TULQNARSWWJDRT-UHFFFAOYSA-N 1 2 243.310 1.141 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000165488447 343449349 /nfs/dbraw/zinc/44/93/49/343449349.db2.gz TULQNARSWWJDRT-UHFFFAOYSA-N 1 2 243.310 1.141 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](CCc2cnccn2)C1 ZINC000602902118 349816735 /nfs/dbraw/zinc/81/67/35/349816735.db2.gz GRDMNXLFGJYGEZ-GFCCVEGCSA-N 1 2 216.288 1.255 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](CCc2cnccn2)C1 ZINC000602902118 349816740 /nfs/dbraw/zinc/81/67/40/349816740.db2.gz GRDMNXLFGJYGEZ-GFCCVEGCSA-N 1 2 216.288 1.255 20 30 BDEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)ccc1C#N ZINC000335873368 344035608 /nfs/dbraw/zinc/03/56/08/344035608.db2.gz LBNQQXZDCKTJTC-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1nnc(NCc2[nH+]ccn2C)c(C#N)c1C ZINC000071140338 343622133 /nfs/dbraw/zinc/62/21/33/343622133.db2.gz YBZPUWDIQULPNW-UHFFFAOYSA-N 1 2 242.286 1.311 20 30 BDEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)ccc1C#N ZINC000335873368 344035610 /nfs/dbraw/zinc/03/56/10/344035610.db2.gz LBNQQXZDCKTJTC-NSHDSACASA-N 1 2 243.310 1.187 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000119211915 343674674 /nfs/dbraw/zinc/67/46/74/343674674.db2.gz KASMPFPGMYQMDC-MNOVXSKESA-N 1 2 229.320 1.101 20 30 BDEDLO COc1nccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000602982560 349834840 /nfs/dbraw/zinc/83/48/40/349834840.db2.gz UVCCDBNLVBNDOE-JQWIXIFHSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1nccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000602982560 349834842 /nfs/dbraw/zinc/83/48/42/349834842.db2.gz UVCCDBNLVBNDOE-JQWIXIFHSA-N 1 2 246.314 1.609 20 30 BDEDLO COc1ncc(C[NH2+]CC(C)(C)C#N)s1 ZINC000379942523 343658495 /nfs/dbraw/zinc/65/84/95/343658495.db2.gz ZMWFOALPFGYOKZ-UHFFFAOYSA-N 1 2 225.317 1.791 20 30 BDEDLO Cc1nn(C)cc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981243 349831091 /nfs/dbraw/zinc/83/10/91/349831091.db2.gz ADMLMFCEIUBRNP-WCQYABFASA-N 1 2 232.331 1.853 20 30 BDEDLO Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981243 349831094 /nfs/dbraw/zinc/83/10/94/349831094.db2.gz ADMLMFCEIUBRNP-WCQYABFASA-N 1 2 232.331 1.853 20 30 BDEDLO C[N@H+](CC(=O)N1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976253 349841269 /nfs/dbraw/zinc/84/12/69/349841269.db2.gz NFIKPDQBOZSLTN-OLZOCXBDSA-N 1 2 249.358 1.623 20 30 BDEDLO C[N@@H+](CC(=O)N1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976253 349841271 /nfs/dbraw/zinc/84/12/71/349841271.db2.gz NFIKPDQBOZSLTN-OLZOCXBDSA-N 1 2 249.358 1.623 20 30 BDEDLO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976912 349841278 /nfs/dbraw/zinc/84/12/78/349841278.db2.gz VHVLVRNBBHSIQP-GHMZBOCLSA-N 1 2 223.320 1.089 20 30 BDEDLO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976912 349841282 /nfs/dbraw/zinc/84/12/82/349841282.db2.gz VHVLVRNBBHSIQP-GHMZBOCLSA-N 1 2 223.320 1.089 20 30 BDEDLO Cc1nccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602979298 349844185 /nfs/dbraw/zinc/84/41/85/349844185.db2.gz BUCQZNSNMIHNHM-DGCLKSJQSA-N 1 2 230.315 1.909 20 30 BDEDLO Cc1nccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602979298 349844187 /nfs/dbraw/zinc/84/41/87/349844187.db2.gz BUCQZNSNMIHNHM-DGCLKSJQSA-N 1 2 230.315 1.909 20 30 BDEDLO C[N@H+](Cc1ccnc(N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980464 349845015 /nfs/dbraw/zinc/84/50/15/349845015.db2.gz QIESMORPVILAIW-VXGBXAGGSA-N 1 2 230.315 1.618 20 30 BDEDLO C[N@@H+](Cc1ccnc(N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980464 349845018 /nfs/dbraw/zinc/84/50/18/349845018.db2.gz QIESMORPVILAIW-VXGBXAGGSA-N 1 2 230.315 1.618 20 30 BDEDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602980671 349846287 /nfs/dbraw/zinc/84/62/87/349846287.db2.gz SYBBBGNDGYCJQG-HLTSFMKQSA-N 1 2 236.237 1.534 20 30 BDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602980671 349846288 /nfs/dbraw/zinc/84/62/88/349846288.db2.gz SYBBBGNDGYCJQG-HLTSFMKQSA-N 1 2 236.237 1.534 20 30 BDEDLO CSC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000187896982 259370531 /nfs/dbraw/zinc/37/05/31/259370531.db2.gz XEOCEBVLJIPLDI-NSHDSACASA-N 1 2 228.361 1.478 20 30 BDEDLO CSC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000187896982 259370532 /nfs/dbraw/zinc/37/05/32/259370532.db2.gz XEOCEBVLJIPLDI-NSHDSACASA-N 1 2 228.361 1.478 20 30 BDEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000393619096 343904926 /nfs/dbraw/zinc/90/49/26/343904926.db2.gz LZPUNUOLNRNVLL-DCAQKATOSA-N 1 2 209.289 1.350 20 30 BDEDLO C=CC[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000625702760 344047159 /nfs/dbraw/zinc/04/71/59/344047159.db2.gz OQAXWWNDCUKSKV-JTQLQIEISA-N 1 2 206.293 1.245 20 30 BDEDLO C=CC[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000625702760 344047162 /nfs/dbraw/zinc/04/71/62/344047162.db2.gz OQAXWWNDCUKSKV-JTQLQIEISA-N 1 2 206.293 1.245 20 30 BDEDLO C=CCOCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000080209170 344125784 /nfs/dbraw/zinc/12/57/84/344125784.db2.gz DNOUPJVYXHLSBD-UHFFFAOYSA-N 1 2 223.276 1.009 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC000081040273 344137046 /nfs/dbraw/zinc/13/70/46/344137046.db2.gz JSYHPIMYSVDOEY-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC000081040273 344137048 /nfs/dbraw/zinc/13/70/48/344137048.db2.gz JSYHPIMYSVDOEY-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO CC#CC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000130701338 344223972 /nfs/dbraw/zinc/22/39/72/344223972.db2.gz RBLFFDZDOQCZNX-LLVKDONJSA-N 1 2 223.316 1.816 20 30 BDEDLO CC#CC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000130701338 344223974 /nfs/dbraw/zinc/22/39/74/344223974.db2.gz RBLFFDZDOQCZNX-LLVKDONJSA-N 1 2 223.316 1.816 20 30 BDEDLO C=C(Br)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131294201 344229988 /nfs/dbraw/zinc/22/99/88/344229988.db2.gz AALVHCZQDWFJJW-UHFFFAOYSA-N 1 2 249.152 1.481 20 30 BDEDLO C=C(Br)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131294201 344229990 /nfs/dbraw/zinc/22/99/90/344229990.db2.gz AALVHCZQDWFJJW-UHFFFAOYSA-N 1 2 249.152 1.481 20 30 BDEDLO N#CCC[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000600746790 344368750 /nfs/dbraw/zinc/36/87/50/344368750.db2.gz MLDJIBNSROLBTR-QMMMGPOBSA-N 1 2 232.209 1.490 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@H](OC)C1CC1 ZINC000400148733 344373962 /nfs/dbraw/zinc/37/39/62/344373962.db2.gz CHCGFVSNWNUVKQ-LBPRGKRZSA-N 1 2 226.320 1.273 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@H](OC)C1CC1 ZINC000400148733 344373964 /nfs/dbraw/zinc/37/39/64/344373964.db2.gz CHCGFVSNWNUVKQ-LBPRGKRZSA-N 1 2 226.320 1.273 20 30 BDEDLO CN(C)c1ccc(C[N@H+](C)CCC#N)cn1 ZINC000119852984 344491977 /nfs/dbraw/zinc/49/19/77/344491977.db2.gz PCMRSSCBHWQEGQ-UHFFFAOYSA-N 1 2 218.304 1.493 20 30 BDEDLO CN(C)c1ccc(C[N@@H+](C)CCC#N)cn1 ZINC000119852984 344491982 /nfs/dbraw/zinc/49/19/82/344491982.db2.gz PCMRSSCBHWQEGQ-UHFFFAOYSA-N 1 2 218.304 1.493 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@H](C)CO1 ZINC000068765754 344493323 /nfs/dbraw/zinc/49/33/23/344493323.db2.gz RMPVOFNCQILJIB-GHMZBOCLSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@H](C)CO1 ZINC000068765754 344493325 /nfs/dbraw/zinc/49/33/25/344493325.db2.gz RMPVOFNCQILJIB-GHMZBOCLSA-N 1 2 231.299 1.562 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)OC ZINC000381593406 344524872 /nfs/dbraw/zinc/52/48/72/344524872.db2.gz KOGDNQULJNNXDC-KIDURHIOSA-N 1 2 223.316 1.882 20 30 BDEDLO N#CCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000304551292 344531478 /nfs/dbraw/zinc/53/14/78/344531478.db2.gz KCDACSWBGPYPGN-SECBINFHSA-N 1 2 236.237 1.679 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000304551292 344531479 /nfs/dbraw/zinc/53/14/79/344531479.db2.gz KCDACSWBGPYPGN-SECBINFHSA-N 1 2 236.237 1.679 20 30 BDEDLO COC(=O)C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000166224322 344806964 /nfs/dbraw/zinc/80/69/64/344806964.db2.gz MUKXAMRXFNZPMS-UHFFFAOYSA-N 1 2 232.283 1.472 20 30 BDEDLO COC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000166224322 344806966 /nfs/dbraw/zinc/80/69/66/344806966.db2.gz MUKXAMRXFNZPMS-UHFFFAOYSA-N 1 2 232.283 1.472 20 30 BDEDLO N#CCC[NH2+]Cc1ccncc1OCC(F)F ZINC000563002003 323079104 /nfs/dbraw/zinc/07/91/04/323079104.db2.gz CHZDXYCWNDOGHE-UHFFFAOYSA-N 1 2 241.241 1.729 20 30 BDEDLO C=CC[N@@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000121226342 344917080 /nfs/dbraw/zinc/91/70/80/344917080.db2.gz MMAAZERDJKMGPP-NSHDSACASA-N 1 2 222.263 1.470 20 30 BDEDLO C=CC[N@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000121226342 344917082 /nfs/dbraw/zinc/91/70/82/344917082.db2.gz MMAAZERDJKMGPP-NSHDSACASA-N 1 2 222.263 1.470 20 30 BDEDLO Cn1cc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354042099 344994108 /nfs/dbraw/zinc/99/41/08/344994108.db2.gz VBUOCTNJUYJALC-UHFFFAOYSA-N 1 2 206.293 1.402 20 30 BDEDLO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354042099 344994111 /nfs/dbraw/zinc/99/41/11/344994111.db2.gz VBUOCTNJUYJALC-UHFFFAOYSA-N 1 2 206.293 1.402 20 30 BDEDLO CNC(=O)CCCN(C)c1cc(C)[nH+]cc1C#N ZINC000425243114 192085254 /nfs/dbraw/zinc/08/52/54/192085254.db2.gz DUZJXTVMXBTFLR-UHFFFAOYSA-N 1 2 246.314 1.224 20 30 BDEDLO Cn1cc[nH+]c1CNc1cccnc1C#N ZINC000133443226 345375159 /nfs/dbraw/zinc/37/51/59/345375159.db2.gz VRWRLINRNAHRKB-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO COc1cc(C)[nH+]c(CN[C@@H](C)CC#N)c1 ZINC000134972313 345427685 /nfs/dbraw/zinc/42/76/85/345427685.db2.gz JVOUDTFPHCRTFN-VIFPVBQESA-N 1 2 219.288 1.790 20 30 BDEDLO COc1cc(C)nc(C[NH2+][C@@H](C)CC#N)c1 ZINC000134972313 345427690 /nfs/dbraw/zinc/42/76/90/345427690.db2.gz JVOUDTFPHCRTFN-VIFPVBQESA-N 1 2 219.288 1.790 20 30 BDEDLO C[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000082271767 345500164 /nfs/dbraw/zinc/50/01/64/345500164.db2.gz HVNFBNMGHVZUAH-UHFFFAOYSA-N 1 2 247.273 1.085 20 30 BDEDLO CCN(CCC#N)Cc1[nH+]ccn1CC ZINC000081039522 345458906 /nfs/dbraw/zinc/45/89/06/345458906.db2.gz ASOAHTHJJVAYNX-UHFFFAOYSA-N 1 2 206.293 1.639 20 30 BDEDLO NC(CCO)=[NH+]OCc1ccc(Cl)cc1 ZINC000136066406 345472636 /nfs/dbraw/zinc/47/26/36/345472636.db2.gz SNJHJVWIZDPTEI-UHFFFAOYSA-N 1 2 228.679 1.511 20 30 BDEDLO C=CCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069038574 349938076 /nfs/dbraw/zinc/93/80/76/349938076.db2.gz WTHIAEZCZLJRHJ-UHFFFAOYSA-N 1 2 244.298 1.628 20 30 BDEDLO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000588968150 345836382 /nfs/dbraw/zinc/83/63/82/345836382.db2.gz HVTXMOKIDGFNFB-GXSJLCMTSA-N 1 2 214.284 1.331 20 30 BDEDLO CC(C)(C)[C@@H](O)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000588968150 345836384 /nfs/dbraw/zinc/83/63/84/345836384.db2.gz HVTXMOKIDGFNFB-GXSJLCMTSA-N 1 2 214.284 1.331 20 30 BDEDLO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000588968161 345836603 /nfs/dbraw/zinc/83/66/03/345836603.db2.gz HVTXMOKIDGFNFB-MWLCHTKSSA-N 1 2 214.284 1.331 20 30 BDEDLO CC(C)(C)[C@H](O)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000588968161 345836605 /nfs/dbraw/zinc/83/66/05/345836605.db2.gz HVTXMOKIDGFNFB-MWLCHTKSSA-N 1 2 214.284 1.331 20 30 BDEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCC#N ZINC000586777655 346102834 /nfs/dbraw/zinc/10/28/34/346102834.db2.gz UOWCIWZUFKQYKB-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCC#N ZINC000586777655 346102835 /nfs/dbraw/zinc/10/28/35/346102835.db2.gz UOWCIWZUFKQYKB-BDAKNGLRSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCC#N ZINC000586777657 346102843 /nfs/dbraw/zinc/10/28/43/346102843.db2.gz UOWCIWZUFKQYKB-IUCAKERBSA-N 1 2 236.237 1.942 20 30 BDEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCC#N ZINC000586777657 346102844 /nfs/dbraw/zinc/10/28/44/346102844.db2.gz UOWCIWZUFKQYKB-IUCAKERBSA-N 1 2 236.237 1.942 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635984501 346138342 /nfs/dbraw/zinc/13/83/42/346138342.db2.gz ATKRHADTZHUZTC-NXEZZACHSA-N 1 2 219.288 1.596 20 30 BDEDLO C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635984501 346138345 /nfs/dbraw/zinc/13/83/45/346138345.db2.gz ATKRHADTZHUZTC-NXEZZACHSA-N 1 2 219.288 1.596 20 30 BDEDLO CC#CC[C@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000641769626 362703806 /nfs/dbraw/zinc/70/38/06/362703806.db2.gz WMCPFTYIAKFXRG-LLVKDONJSA-N 1 2 243.310 1.427 20 30 BDEDLO CC[N@H+](CCNC(=O)NC(C)C)C[C@H](C)C#N ZINC000574914087 346409552 /nfs/dbraw/zinc/40/95/52/346409552.db2.gz XZGWGSLVQVUTPL-LLVKDONJSA-N 1 2 240.351 1.176 20 30 BDEDLO CC[N@@H+](CCNC(=O)NC(C)C)C[C@H](C)C#N ZINC000574914087 346409555 /nfs/dbraw/zinc/40/95/55/346409555.db2.gz XZGWGSLVQVUTPL-LLVKDONJSA-N 1 2 240.351 1.176 20 30 BDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cnccn1 ZINC000070025809 349964742 /nfs/dbraw/zinc/96/47/42/349964742.db2.gz FJMQDTFIURTQKP-VHSXEESVSA-N 1 2 204.277 1.819 20 30 BDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)[nH+]cc1C ZINC000577191253 365870477 /nfs/dbraw/zinc/87/04/77/365870477.db2.gz GEDWWJFUNMMBCX-CHWSQXEVSA-N 1 2 247.342 1.908 20 30 BDEDLO CCOC(=O)c1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000183820479 347137183 /nfs/dbraw/zinc/13/71/83/347137183.db2.gz IOEAEYIDSVCDNS-VIFPVBQESA-N 1 2 236.271 1.706 20 30 BDEDLO CC[C@H](CC#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000183863002 347139294 /nfs/dbraw/zinc/13/92/94/347139294.db2.gz ZZJOXMKVBKQURL-LLVKDONJSA-N 1 2 242.282 1.756 20 30 BDEDLO C=CCOCCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000371637149 347141756 /nfs/dbraw/zinc/14/17/56/347141756.db2.gz GSLSWMNNGWKMAY-LLVKDONJSA-N 1 2 249.314 1.079 20 30 BDEDLO C=CCOCCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000371637150 347142349 /nfs/dbraw/zinc/14/23/49/347142349.db2.gz GSLSWMNNGWKMAY-NSHDSACASA-N 1 2 249.314 1.079 20 30 BDEDLO Cc1cccnc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000571307817 323140977 /nfs/dbraw/zinc/14/09/77/323140977.db2.gz XADOPKBJWJBVBD-GFCCVEGCSA-N 1 2 228.299 1.923 20 30 BDEDLO C#CCC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000364137120 347277921 /nfs/dbraw/zinc/27/79/21/347277921.db2.gz TZMBLWSOMAMNIQ-LLVKDONJSA-N 1 2 232.331 1.801 20 30 BDEDLO C#CCC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000364137120 347277923 /nfs/dbraw/zinc/27/79/23/347277923.db2.gz TZMBLWSOMAMNIQ-LLVKDONJSA-N 1 2 232.331 1.801 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924771 347455764 /nfs/dbraw/zinc/45/57/64/347455764.db2.gz VSFIZXUKWOVSMT-JTQLQIEISA-N 1 2 237.303 1.349 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924771 347455767 /nfs/dbraw/zinc/45/57/67/347455767.db2.gz VSFIZXUKWOVSMT-JTQLQIEISA-N 1 2 237.303 1.349 20 30 BDEDLO N#CC1(C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000334297051 347575751 /nfs/dbraw/zinc/57/57/51/347575751.db2.gz CRMCEWKBCMGGPL-NSHDSACASA-N 1 2 206.289 1.401 20 30 BDEDLO N#CC1(C[N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000334297051 347575754 /nfs/dbraw/zinc/57/57/54/347575754.db2.gz CRMCEWKBCMGGPL-NSHDSACASA-N 1 2 206.289 1.401 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncncc1C#N ZINC000591946793 347717663 /nfs/dbraw/zinc/71/76/63/347717663.db2.gz DMGGDJNJUIDPQX-SECBINFHSA-N 1 2 242.286 1.160 20 30 BDEDLO N#C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000591796640 347697239 /nfs/dbraw/zinc/69/72/39/347697239.db2.gz YXCFBGADGWCHNR-NWDGAFQWSA-N 1 2 246.314 1.472 20 30 BDEDLO N#Cc1cnccc1C[N@@H+]1CCCOCC1 ZINC000592068106 347726767 /nfs/dbraw/zinc/72/67/67/347726767.db2.gz DCPIUMUXBYLNBL-UHFFFAOYSA-N 1 2 217.272 1.176 20 30 BDEDLO N#Cc1cnccc1C[N@H+]1CCCOCC1 ZINC000592068106 347726770 /nfs/dbraw/zinc/72/67/70/347726770.db2.gz DCPIUMUXBYLNBL-UHFFFAOYSA-N 1 2 217.272 1.176 20 30 BDEDLO CCO[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592068857 347726988 /nfs/dbraw/zinc/72/69/88/347726988.db2.gz JABUTIDSANFCOK-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO CCO[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592068857 347726990 /nfs/dbraw/zinc/72/69/90/347726990.db2.gz JABUTIDSANFCOK-AWEZNQCLSA-N 1 2 245.326 1.954 20 30 BDEDLO C[C@@H](O)CC[N@H+](C)Cc1ccncc1C#N ZINC000592073015 347728933 /nfs/dbraw/zinc/72/89/33/347728933.db2.gz UKXOWHXGXQTYRI-SNVBAGLBSA-N 1 2 219.288 1.156 20 30 BDEDLO C[C@@H](O)CC[N@@H+](C)Cc1ccncc1C#N ZINC000592073015 347728936 /nfs/dbraw/zinc/72/89/36/347728936.db2.gz UKXOWHXGXQTYRI-SNVBAGLBSA-N 1 2 219.288 1.156 20 30 BDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccncc1C#N ZINC000592074605 347728964 /nfs/dbraw/zinc/72/89/64/347728964.db2.gz OLVAQMQGRNGKIC-UHFFFAOYSA-N 1 2 246.314 1.039 20 30 BDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccncc1C#N ZINC000592074605 347728966 /nfs/dbraw/zinc/72/89/66/347728966.db2.gz OLVAQMQGRNGKIC-UHFFFAOYSA-N 1 2 246.314 1.039 20 30 BDEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)C[C@H]1O ZINC000592115651 347736119 /nfs/dbraw/zinc/73/61/19/347736119.db2.gz FYZAUKXQMOXKIG-GFCCVEGCSA-N 1 2 231.299 1.156 20 30 BDEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)C[C@H]1O ZINC000592115651 347736122 /nfs/dbraw/zinc/73/61/22/347736122.db2.gz FYZAUKXQMOXKIG-GFCCVEGCSA-N 1 2 231.299 1.156 20 30 BDEDLO COCCOCC[N@H+](C)Cc1ccncc1C#N ZINC000592121752 347736594 /nfs/dbraw/zinc/73/65/94/347736594.db2.gz HXYGPWWIHIZAON-UHFFFAOYSA-N 1 2 249.314 1.048 20 30 BDEDLO COCCOCC[N@@H+](C)Cc1ccncc1C#N ZINC000592121752 347736597 /nfs/dbraw/zinc/73/65/97/347736597.db2.gz HXYGPWWIHIZAON-UHFFFAOYSA-N 1 2 249.314 1.048 20 30 BDEDLO COc1ncncc1C[NH+]1CCC(C)(C#N)CC1 ZINC000592505594 347797695 /nfs/dbraw/zinc/79/76/95/347797695.db2.gz WVVPZVIVQWWMLB-UHFFFAOYSA-N 1 2 246.314 1.611 20 30 BDEDLO C[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000593082523 347851571 /nfs/dbraw/zinc/85/15/71/347851571.db2.gz WNCQFGCYOSYNKT-MNOVXSKESA-N 1 2 248.330 1.889 20 30 BDEDLO CSCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154662 347866887 /nfs/dbraw/zinc/86/68/87/347866887.db2.gz RALXZJGXFQUIGS-NSHDSACASA-N 1 2 243.376 1.090 20 30 BDEDLO CC1(C)C[N@H+](CCCC#N)[C@@H]2COC[C@H]2O1 ZINC000593116140 347861980 /nfs/dbraw/zinc/86/19/80/347861980.db2.gz JGVPGRKOHVODAJ-GHMZBOCLSA-N 1 2 224.304 1.168 20 30 BDEDLO CC1(C)C[N@@H+](CCCC#N)[C@@H]2COC[C@H]2O1 ZINC000593116140 347861984 /nfs/dbraw/zinc/86/19/84/347861984.db2.gz JGVPGRKOHVODAJ-GHMZBOCLSA-N 1 2 224.304 1.168 20 30 BDEDLO CC[C@H](C#N)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000593405220 347884228 /nfs/dbraw/zinc/88/42/28/347884228.db2.gz JADSSOXPDNVJIX-SNVBAGLBSA-N 1 2 246.314 1.314 20 30 BDEDLO CC(C)N(CCC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593444108 347892244 /nfs/dbraw/zinc/89/22/44/347892244.db2.gz MGSAMRQTAAFFFH-GFCCVEGCSA-N 1 2 248.330 1.985 20 30 BDEDLO N#CC1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC000593779599 347940975 /nfs/dbraw/zinc/94/09/75/347940975.db2.gz OESURUNZYKMUCC-UHFFFAOYSA-N 1 2 246.314 1.473 20 30 BDEDLO CC[C@@H](C#N)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000593737723 347939113 /nfs/dbraw/zinc/93/91/13/347939113.db2.gz RWFNFMSUTZIPJE-UWVGGRQHSA-N 1 2 234.303 1.630 20 30 BDEDLO N#CCCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000594357218 348032961 /nfs/dbraw/zinc/03/29/61/348032961.db2.gz BCJYIFMOPPHPSP-LLVKDONJSA-N 1 2 246.314 1.398 20 30 BDEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000594510935 348061212 /nfs/dbraw/zinc/06/12/12/348061212.db2.gz PUVFWTXJXHSFRK-UWVGGRQHSA-N 1 2 248.334 1.210 20 30 BDEDLO N#CCC[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000594718768 348107087 /nfs/dbraw/zinc/10/70/87/348107087.db2.gz TWAPNGDKRAWKJA-UHFFFAOYSA-N 1 2 230.193 1.499 20 30 BDEDLO Cc1cccn2cc(CNC(=O)CC#N)[nH+]c12 ZINC000274144843 179357648 /nfs/dbraw/zinc/35/76/48/179357648.db2.gz DVQFSGRHVAENHA-UHFFFAOYSA-N 1 2 228.255 1.173 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nccn1C ZINC000594995522 348167915 /nfs/dbraw/zinc/16/79/15/348167915.db2.gz NEZQMTLMLSWBJF-SECBINFHSA-N 1 2 230.271 1.736 20 30 BDEDLO COCc1n[nH]c(C[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000595069404 348188111 /nfs/dbraw/zinc/18/81/11/348188111.db2.gz RZIRGALDLQPGPZ-VHSXEESVSA-N 1 2 249.318 1.123 20 30 BDEDLO COCc1nnc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)[nH]1 ZINC000595069404 348188114 /nfs/dbraw/zinc/18/81/14/348188114.db2.gz RZIRGALDLQPGPZ-VHSXEESVSA-N 1 2 249.318 1.123 20 30 BDEDLO C[C@@H](CCC#N)N1CCn2c[nH+]cc2C1 ZINC000595492503 348262189 /nfs/dbraw/zinc/26/21/89/348262189.db2.gz WNRWVHNWLPKSLK-JTQLQIEISA-N 1 2 204.277 1.391 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCn2cncc2C1 ZINC000595492503 348262190 /nfs/dbraw/zinc/26/21/90/348262190.db2.gz WNRWVHNWLPKSLK-JTQLQIEISA-N 1 2 204.277 1.391 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCn2cncc2C1 ZINC000595492503 348262191 /nfs/dbraw/zinc/26/21/91/348262191.db2.gz WNRWVHNWLPKSLK-JTQLQIEISA-N 1 2 204.277 1.391 20 30 BDEDLO N#CCC[C@H](C#N)CN1CCn2c[nH+]cc2C1 ZINC000595494195 348262247 /nfs/dbraw/zinc/26/22/47/348262247.db2.gz KOWKAIYXEHJKPU-LLVKDONJSA-N 1 2 229.287 1.142 20 30 BDEDLO CN(Cc1cn(C)c[nH+]1)CC(C)(C)C#N ZINC000595499824 348263094 /nfs/dbraw/zinc/26/30/94/348263094.db2.gz GMXYUQZLXMHKAA-UHFFFAOYSA-N 1 2 206.293 1.402 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595503029 348263984 /nfs/dbraw/zinc/26/39/84/348263984.db2.gz ZABDKHNENBLSON-CHWSQXEVSA-N 1 2 238.331 1.440 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595503029 348263985 /nfs/dbraw/zinc/26/39/85/348263985.db2.gz ZABDKHNENBLSON-CHWSQXEVSA-N 1 2 238.331 1.440 20 30 BDEDLO N#CC[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000595623600 348292082 /nfs/dbraw/zinc/29/20/82/348292082.db2.gz UWSUQWFRHSASBC-SECBINFHSA-N 1 2 222.317 1.664 20 30 BDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000595623600 348292085 /nfs/dbraw/zinc/29/20/85/348292085.db2.gz UWSUQWFRHSASBC-SECBINFHSA-N 1 2 222.317 1.664 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595622441 348291371 /nfs/dbraw/zinc/29/13/71/348291371.db2.gz AORBXMZQPPKIPL-MNOVXSKESA-N 1 2 222.288 1.340 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595622441 348291374 /nfs/dbraw/zinc/29/13/74/348291374.db2.gz AORBXMZQPPKIPL-MNOVXSKESA-N 1 2 222.288 1.340 20 30 BDEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000595679289 348311533 /nfs/dbraw/zinc/31/15/33/348311533.db2.gz CSOSWJWBIHOGAJ-NSHDSACASA-N 1 2 220.316 1.934 20 30 BDEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC1(C#N)CC1 ZINC000595679289 348311535 /nfs/dbraw/zinc/31/15/35/348311535.db2.gz CSOSWJWBIHOGAJ-NSHDSACASA-N 1 2 220.316 1.934 20 30 BDEDLO COC[C@H]([NH2+]CCC#N)c1cccc(OC)c1 ZINC000595683001 348312278 /nfs/dbraw/zinc/31/22/78/348312278.db2.gz DITPBAOTHKSWDA-ZDUSSCGKSA-N 1 2 234.299 1.886 20 30 BDEDLO C[C@@H](C#N)[N@H+](C[C@@H](O)C(C)(C)C)C1CC1 ZINC000595709024 348320452 /nfs/dbraw/zinc/32/04/52/348320452.db2.gz BMDILYLIWJFNGY-GXSJLCMTSA-N 1 2 210.321 1.770 20 30 BDEDLO C[C@@H](C#N)[N@@H+](C[C@@H](O)C(C)(C)C)C1CC1 ZINC000595709024 348320453 /nfs/dbraw/zinc/32/04/53/348320453.db2.gz BMDILYLIWJFNGY-GXSJLCMTSA-N 1 2 210.321 1.770 20 30 BDEDLO C=CCOCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595774321 348338174 /nfs/dbraw/zinc/33/81/74/348338174.db2.gz HMSIGQGSPHHSPK-LLVKDONJSA-N 1 2 233.283 1.070 20 30 BDEDLO CC[N@H+](CCCC(=O)NCC(C)C)[C@H](C)C#N ZINC000595815436 348342682 /nfs/dbraw/zinc/34/26/82/348342682.db2.gz AWPMCHPOEDKWLE-GFCCVEGCSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[N@@H+](CCCC(=O)NCC(C)C)[C@H](C)C#N ZINC000595815436 348342685 /nfs/dbraw/zinc/34/26/85/348342685.db2.gz AWPMCHPOEDKWLE-GFCCVEGCSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[N@H+](CCC(=O)N1CCCCC1)[C@@H](C)C#N ZINC000595814521 348342701 /nfs/dbraw/zinc/34/27/01/348342701.db2.gz VOBJUXNVGKEDPR-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO CC[N@@H+](CCC(=O)N1CCCCC1)[C@@H](C)C#N ZINC000595814521 348342704 /nfs/dbraw/zinc/34/27/04/348342704.db2.gz VOBJUXNVGKEDPR-LBPRGKRZSA-N 1 2 237.347 1.623 20 30 BDEDLO CC[N@H+](C[C@H](OC)[C@@H]1CCOC1)[C@H](C)C#N ZINC000595817178 348344087 /nfs/dbraw/zinc/34/40/87/348344087.db2.gz HOICVGQYADHOFK-UTUOFQBUSA-N 1 2 226.320 1.272 20 30 BDEDLO CC[N@@H+](C[C@H](OC)[C@@H]1CCOC1)[C@H](C)C#N ZINC000595817178 348344092 /nfs/dbraw/zinc/34/40/92/348344092.db2.gz HOICVGQYADHOFK-UTUOFQBUSA-N 1 2 226.320 1.272 20 30 BDEDLO CC[N@H+](CCC(=O)NC(C)C)[C@H](C)C#N ZINC000595813417 348352956 /nfs/dbraw/zinc/35/29/56/348352956.db2.gz MOWUBBUXGDEDGN-SNVBAGLBSA-N 1 2 211.309 1.135 20 30 BDEDLO CC[N@@H+](CCC(=O)NC(C)C)[C@H](C)C#N ZINC000595813417 348352960 /nfs/dbraw/zinc/35/29/60/348352960.db2.gz MOWUBBUXGDEDGN-SNVBAGLBSA-N 1 2 211.309 1.135 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836370 348369919 /nfs/dbraw/zinc/36/99/19/348369919.db2.gz YRVBNMGIYNWTAC-DGCLKSJQSA-N 1 2 237.347 1.527 20 30 BDEDLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836370 348369922 /nfs/dbraw/zinc/36/99/22/348369922.db2.gz YRVBNMGIYNWTAC-DGCLKSJQSA-N 1 2 237.347 1.527 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839967 348373801 /nfs/dbraw/zinc/37/38/01/348373801.db2.gz NBAHGEILSFXYEH-ZDUSSCGKSA-N 1 2 235.331 1.090 20 30 BDEDLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839967 348373806 /nfs/dbraw/zinc/37/38/06/348373806.db2.gz NBAHGEILSFXYEH-ZDUSSCGKSA-N 1 2 235.331 1.090 20 30 BDEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ncn1 ZINC000595840590 348374448 /nfs/dbraw/zinc/37/44/48/348374448.db2.gz CCANMUAMOKFGMR-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ncn1 ZINC000595840590 348374451 /nfs/dbraw/zinc/37/44/51/348374451.db2.gz CCANMUAMOKFGMR-LBPRGKRZSA-N 1 2 216.288 1.521 20 30 BDEDLO CCc1nocc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841262 348376121 /nfs/dbraw/zinc/37/61/21/348376121.db2.gz JDDXVNVVNSJURC-GFCCVEGCSA-N 1 2 219.288 1.973 20 30 BDEDLO CCc1nocc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841262 348376126 /nfs/dbraw/zinc/37/61/26/348376126.db2.gz JDDXVNVVNSJURC-GFCCVEGCSA-N 1 2 219.288 1.973 20 30 BDEDLO CCc1nocc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841263 348376371 /nfs/dbraw/zinc/37/63/71/348376371.db2.gz JDDXVNVVNSJURC-LBPRGKRZSA-N 1 2 219.288 1.973 20 30 BDEDLO CCc1nocc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841263 348376372 /nfs/dbraw/zinc/37/63/72/348376372.db2.gz JDDXVNVVNSJURC-LBPRGKRZSA-N 1 2 219.288 1.973 20 30 BDEDLO C[C@@]1(C#N)CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000595842787 348379094 /nfs/dbraw/zinc/37/90/94/348379094.db2.gz VEQKBUPAEDAJBB-NSHDSACASA-N 1 2 238.722 1.772 20 30 BDEDLO C[C@@]1(C#N)CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000595842787 348379096 /nfs/dbraw/zinc/37/90/96/348379096.db2.gz VEQKBUPAEDAJBB-NSHDSACASA-N 1 2 238.722 1.772 20 30 BDEDLO COc1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000595844111 348380795 /nfs/dbraw/zinc/38/07/95/348380795.db2.gz QVYGOJPDJRBHNR-CYBMUJFWSA-N 1 2 246.314 1.529 20 30 BDEDLO COc1ncc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000595844111 348380800 /nfs/dbraw/zinc/38/08/00/348380800.db2.gz QVYGOJPDJRBHNR-CYBMUJFWSA-N 1 2 246.314 1.529 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000595843821 348380851 /nfs/dbraw/zinc/38/08/51/348380851.db2.gz NSSNICOTDJQFEZ-JGVFFNPUSA-N 1 2 222.210 1.145 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000595843821 348380855 /nfs/dbraw/zinc/38/08/55/348380855.db2.gz NSSNICOTDJQFEZ-JGVFFNPUSA-N 1 2 222.210 1.145 20 30 BDEDLO COc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000595844112 348381254 /nfs/dbraw/zinc/38/12/54/348381254.db2.gz QVYGOJPDJRBHNR-ZDUSSCGKSA-N 1 2 246.314 1.529 20 30 BDEDLO COc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000595844112 348381256 /nfs/dbraw/zinc/38/12/56/348381256.db2.gz QVYGOJPDJRBHNR-ZDUSSCGKSA-N 1 2 246.314 1.529 20 30 BDEDLO C[C@@](O)(C[N@@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC000595844528 348382295 /nfs/dbraw/zinc/38/22/95/348382295.db2.gz UNPXNANFXCYJRS-RKDXNWHRSA-N 1 2 236.237 1.535 20 30 BDEDLO C[C@@](O)(C[N@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC000595844528 348382297 /nfs/dbraw/zinc/38/22/97/348382297.db2.gz UNPXNANFXCYJRS-RKDXNWHRSA-N 1 2 236.237 1.535 20 30 BDEDLO Cc1nnc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)s1 ZINC000595886323 348389298 /nfs/dbraw/zinc/38/92/98/348389298.db2.gz UTFKVFZZBXMAKW-UWVGGRQHSA-N 1 2 236.344 1.971 20 30 BDEDLO Cc1nnc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)s1 ZINC000595886323 348389299 /nfs/dbraw/zinc/38/92/99/348389299.db2.gz UTFKVFZZBXMAKW-UWVGGRQHSA-N 1 2 236.344 1.971 20 30 BDEDLO C[C@@H]1C[C@H](Nc2cc(C#N)ncn2)c2[nH+]ccn21 ZINC000596257454 348476555 /nfs/dbraw/zinc/47/65/55/348476555.db2.gz OIGRLNUKKQMEJL-SCZZXKLOSA-N 1 2 240.270 1.663 20 30 BDEDLO CCO[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000596437065 348547133 /nfs/dbraw/zinc/54/71/33/348547133.db2.gz QVTAXUSGPWZMER-HAQNSBGRSA-N 1 2 231.299 1.663 20 30 BDEDLO C[C@@H](Nc1ccncc1C#N)c1[nH+]ccn1C ZINC000596542207 348583763 /nfs/dbraw/zinc/58/37/63/348583763.db2.gz KXDHPBOPBCJFKZ-SECBINFHSA-N 1 2 227.271 1.282 20 30 BDEDLO Cc1cc(N2C[C@H](C)[C@@](C)(CO)C2)c(C#N)c[nH+]1 ZINC000596545720 348584871 /nfs/dbraw/zinc/58/48/71/348584871.db2.gz URHGJRYEKOQDEB-IINYFYTJSA-N 1 2 245.326 1.716 20 30 BDEDLO Cc1cc(N2C[C@H]3COC[C@@]3(C)C2)c(C#N)c[nH+]1 ZINC000596479807 348556272 /nfs/dbraw/zinc/55/62/72/348556272.db2.gz KWYLGALIZIBCKS-GXTWGEPZSA-N 1 2 243.310 1.734 20 30 BDEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH+]ccn1C ZINC000596488175 348559851 /nfs/dbraw/zinc/55/98/51/348559851.db2.gz NUMIGAHRPAYQRA-QMMMGPOBSA-N 1 2 243.270 1.111 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597035385 348646364 /nfs/dbraw/zinc/64/63/64/348646364.db2.gz FIYHKLZIRNPXQW-ZANVPECISA-N 1 2 246.314 1.323 20 30 BDEDLO CC[C@@](C)(C#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597035385 348646366 /nfs/dbraw/zinc/64/63/66/348646366.db2.gz FIYHKLZIRNPXQW-ZANVPECISA-N 1 2 246.314 1.323 20 30 BDEDLO C[C@H](CC#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000597012129 348650570 /nfs/dbraw/zinc/65/05/70/348650570.db2.gz MDLMEOQKHBCPPM-LLVKDONJSA-N 1 2 246.314 1.596 20 30 BDEDLO COC(=O)c1oc(C[NH2+][C@@H](C)CC#N)cc1C ZINC000597084076 348655220 /nfs/dbraw/zinc/65/52/20/348655220.db2.gz WTYCPHUBKKJXJU-VIFPVBQESA-N 1 2 236.271 1.766 20 30 BDEDLO N#CCC1C[NH+](Cc2[nH]nc3ccccc32)C1 ZINC000597193587 348671278 /nfs/dbraw/zinc/67/12/78/348671278.db2.gz HGKSXDVNEZHUOR-UHFFFAOYSA-N 1 2 226.283 1.908 20 30 BDEDLO N#CCC1C[NH+](Cc2n[nH]c3ccccc32)C1 ZINC000597193587 348671281 /nfs/dbraw/zinc/67/12/81/348671281.db2.gz HGKSXDVNEZHUOR-UHFFFAOYSA-N 1 2 226.283 1.908 20 30 BDEDLO Cn1ncc(C(F)(F)F)c1C[NH2+]CCC#N ZINC000597116094 348663238 /nfs/dbraw/zinc/66/32/38/348663238.db2.gz DLLFHDHYJHVVDA-UHFFFAOYSA-N 1 2 232.209 1.442 20 30 BDEDLO CC(C)n1cc[nH+]c1CNCC1(C#N)CC1 ZINC000597118617 348663741 /nfs/dbraw/zinc/66/37/41/348663741.db2.gz ACEPYHWYXCIWRQ-UHFFFAOYSA-N 1 2 218.304 1.857 20 30 BDEDLO CC(C)n1ccnc1C[NH2+]CC1(C#N)CC1 ZINC000597118617 348663742 /nfs/dbraw/zinc/66/37/42/348663742.db2.gz ACEPYHWYXCIWRQ-UHFFFAOYSA-N 1 2 218.304 1.857 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(C#N)o1 ZINC000597171505 348668269 /nfs/dbraw/zinc/66/82/69/348668269.db2.gz SXSDGGUTBJYODH-UHFFFAOYSA-N 1 2 216.244 1.506 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000596949203 348639659 /nfs/dbraw/zinc/63/96/59/348639659.db2.gz VSHYYADOVYOFCD-SECBINFHSA-N 1 2 244.298 1.077 20 30 BDEDLO N#CC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000596949203 348639663 /nfs/dbraw/zinc/63/96/63/348639663.db2.gz VSHYYADOVYOFCD-SECBINFHSA-N 1 2 244.298 1.077 20 30 BDEDLO CC(C)n1cc[nH+]c1CN1CC(CC#N)C1 ZINC000597203228 348677059 /nfs/dbraw/zinc/67/70/59/348677059.db2.gz IKBSVRUPYMSIMU-UHFFFAOYSA-N 1 2 218.304 1.809 20 30 BDEDLO C=C(C)CN(CC)C(=O)NCc1[nH+]ccn1C ZINC000264229638 192373374 /nfs/dbraw/zinc/37/33/74/192373374.db2.gz VOQHYBMMTBZFIV-UHFFFAOYSA-N 1 2 236.319 1.528 20 30 BDEDLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)C#N ZINC000598348003 348935247 /nfs/dbraw/zinc/93/52/47/348935247.db2.gz CEZWNYZOCTXCHG-MNOVXSKESA-N 1 2 234.303 1.595 20 30 BDEDLO CCN(C(=O)CCn1cc[nH+]c1)[C@H](C)C#N ZINC000598355259 348939781 /nfs/dbraw/zinc/93/97/81/348939781.db2.gz AZEGKQLNIGAAPE-SNVBAGLBSA-N 1 2 220.276 1.034 20 30 BDEDLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C)C#N ZINC000598356567 348940521 /nfs/dbraw/zinc/94/05/21/348940521.db2.gz RMCQNRYYTPQQCC-GHMZBOCLSA-N 1 2 246.314 1.206 20 30 BDEDLO COC(=O)c1cc(C[NH2+]C[C@@H](C)C#N)oc1C ZINC000054181254 348895986 /nfs/dbraw/zinc/89/59/86/348895986.db2.gz QMHIMHLQDJAYBZ-QMMMGPOBSA-N 1 2 236.271 1.624 20 30 BDEDLO C[C@H](CC#N)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464351 348978503 /nfs/dbraw/zinc/97/85/03/348978503.db2.gz IQFTZUUPOQXQIB-BDAKNGLRSA-N 1 2 220.276 1.147 20 30 BDEDLO Cc1cc(N2CC[C@H](C)[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000598637812 349014703 /nfs/dbraw/zinc/01/47/03/349014703.db2.gz NBTOUGMAMXCTAP-GXFFZTMASA-N 1 2 245.326 1.716 20 30 BDEDLO Cc1nccnc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000598674277 349019831 /nfs/dbraw/zinc/01/98/31/349019831.db2.gz OMXCFWMCKFWKOM-CYBMUJFWSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1nccnc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000598674277 349019833 /nfs/dbraw/zinc/01/98/33/349019833.db2.gz OMXCFWMCKFWKOM-CYBMUJFWSA-N 1 2 230.315 1.911 20 30 BDEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000598702871 349022500 /nfs/dbraw/zinc/02/25/00/349022500.db2.gz YZNGQCSSTIUIRL-QMMMGPOBSA-N 1 2 248.273 1.211 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)C#N ZINC000598739285 349036337 /nfs/dbraw/zinc/03/63/37/349036337.db2.gz XHIGHCODKUVONL-SECBINFHSA-N 1 2 234.303 1.630 20 30 BDEDLO N#CCCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598948118 349071031 /nfs/dbraw/zinc/07/10/31/349071031.db2.gz PNQWMQHMQLHJBB-LLVKDONJSA-N 1 2 246.314 1.398 20 30 BDEDLO COc1ccc(OC)c(C[NH2+]C[C@@H](C)C#N)c1 ZINC000054918231 349088890 /nfs/dbraw/zinc/08/88/90/349088890.db2.gz YSYVGBJXWMBLPP-JTQLQIEISA-N 1 2 234.299 1.953 20 30 BDEDLO N#CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000598941374 349062696 /nfs/dbraw/zinc/06/26/96/349062696.db2.gz DDGHKRXFKLZZSY-JTQLQIEISA-N 1 2 244.298 1.008 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@H]2COCC[N@H+]2C)n1 ZINC000599159968 349109047 /nfs/dbraw/zinc/10/90/47/349109047.db2.gz JAIRDOSNRHRJDG-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C#N)c(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000599159968 349109050 /nfs/dbraw/zinc/10/90/50/349109050.db2.gz JAIRDOSNRHRJDG-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1C#N ZINC000599281591 349139200 /nfs/dbraw/zinc/13/92/00/349139200.db2.gz KKSAUPFVNITDNF-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1C#N ZINC000599281591 349139201 /nfs/dbraw/zinc/13/92/01/349139201.db2.gz KKSAUPFVNITDNF-LLVKDONJSA-N 1 2 243.310 1.187 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(C)(C)C ZINC000599438807 349178007 /nfs/dbraw/zinc/17/80/07/349178007.db2.gz XYWQDXIVMNKGOD-JTQLQIEISA-N 1 2 225.336 1.431 20 30 BDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)C#N)CC2 ZINC000599427397 349185292 /nfs/dbraw/zinc/18/52/92/349185292.db2.gz PCOVWTCKJBUGKH-ONGXEEELSA-N 1 2 246.314 1.030 20 30 BDEDLO C=C[C@@H]([NH2+]C[C@H]1CCCSC1)C(=O)OC ZINC000308937907 349169546 /nfs/dbraw/zinc/16/95/46/349169546.db2.gz LIKJGSTVABUBAX-NXEZZACHSA-N 1 2 229.345 1.447 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000599601945 349232520 /nfs/dbraw/zinc/23/25/20/349232520.db2.gz KVTHDXLHSZYBHI-TUAOUCFPSA-N 1 2 239.315 1.051 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000599601945 349232523 /nfs/dbraw/zinc/23/25/23/349232523.db2.gz KVTHDXLHSZYBHI-TUAOUCFPSA-N 1 2 239.315 1.051 20 30 BDEDLO CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCC[C@H]1C#N ZINC000601815767 349350262 /nfs/dbraw/zinc/35/02/62/349350262.db2.gz JYZAKBGHBGIABR-RYUDHWBXSA-N 1 2 249.358 1.479 20 30 BDEDLO CC(C)n1ccc(C[NH2+][C@H](C)CC#N)n1 ZINC000309021366 349305667 /nfs/dbraw/zinc/30/56/67/349305667.db2.gz XEPOPACDHCZVJJ-SNVBAGLBSA-N 1 2 206.293 1.856 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602080755 349431316 /nfs/dbraw/zinc/43/13/16/349431316.db2.gz XSLLIXNGURVTTO-NXEZZACHSA-N 1 2 232.287 1.275 20 30 BDEDLO CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602080755 349431317 /nfs/dbraw/zinc/43/13/17/349431317.db2.gz XSLLIXNGURVTTO-NXEZZACHSA-N 1 2 232.287 1.275 20 30 BDEDLO Cc1nc(NCc2[nH+]ccn2C)ccc1C#N ZINC000291985578 180020334 /nfs/dbraw/zinc/02/03/34/180020334.db2.gz QCVMYUJQMMFRAE-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000313816614 350166346 /nfs/dbraw/zinc/16/63/46/350166346.db2.gz UHAYYVXZMWHIAR-UPJWGTAASA-N 1 2 239.363 1.187 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000313816614 350166351 /nfs/dbraw/zinc/16/63/51/350166351.db2.gz UHAYYVXZMWHIAR-UPJWGTAASA-N 1 2 239.363 1.187 20 30 BDEDLO C=C(CC)C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000309125284 323318310 /nfs/dbraw/zinc/31/83/10/323318310.db2.gz PIGDHQJMLLSHHH-LBPRGKRZSA-N 1 2 211.305 1.884 20 30 BDEDLO C=C(CC)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637205277 350271596 /nfs/dbraw/zinc/27/15/96/350271596.db2.gz GOXUVUWFVHGWMY-SNVBAGLBSA-N 1 2 234.303 1.073 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1ncc(C)cn1 ZINC000336670733 350434411 /nfs/dbraw/zinc/43/44/11/350434411.db2.gz WDNBGMYYBJQBCY-UHFFFAOYSA-N 1 2 221.304 1.419 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1ncc(C)cn1 ZINC000336670733 350434413 /nfs/dbraw/zinc/43/44/13/350434413.db2.gz WDNBGMYYBJQBCY-UHFFFAOYSA-N 1 2 221.304 1.419 20 30 BDEDLO C[N@H+](CCCC#N)CC(=O)Nc1cccc(F)c1 ZINC000007730678 350519619 /nfs/dbraw/zinc/51/96/19/350519619.db2.gz GQYYJKHWNZSLCB-UHFFFAOYSA-N 1 2 249.289 2.000 20 30 BDEDLO C[N@@H+](CCCC#N)CC(=O)Nc1cccc(F)c1 ZINC000007730678 350519620 /nfs/dbraw/zinc/51/96/20/350519620.db2.gz GQYYJKHWNZSLCB-UHFFFAOYSA-N 1 2 249.289 2.000 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@](C)(CC)C(=O)OC ZINC000293253363 350863218 /nfs/dbraw/zinc/86/32/18/350863218.db2.gz ROSYGKQVIWQDPX-PWSUYJOCSA-N 1 2 229.320 1.245 20 30 BDEDLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397567651 350917385 /nfs/dbraw/zinc/91/73/85/350917385.db2.gz CZZCBPOQVFXPNF-LBPRGKRZSA-N 1 2 247.346 1.985 20 30 BDEDLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397567651 350917388 /nfs/dbraw/zinc/91/73/88/350917388.db2.gz CZZCBPOQVFXPNF-LBPRGKRZSA-N 1 2 247.346 1.985 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C)o1 ZINC000335184383 191127098 /nfs/dbraw/zinc/12/70/98/191127098.db2.gz YQLZAJQZYDJKOZ-SNVBAGLBSA-N 1 2 207.277 1.919 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C)o1 ZINC000335184383 191127101 /nfs/dbraw/zinc/12/71/01/191127101.db2.gz YQLZAJQZYDJKOZ-SNVBAGLBSA-N 1 2 207.277 1.919 20 30 BDEDLO Cn1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397630983 350954298 /nfs/dbraw/zinc/95/42/98/350954298.db2.gz UOCKCTRNDVEUMM-NSHDSACASA-N 1 2 218.304 1.546 20 30 BDEDLO Cn1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397630983 350954301 /nfs/dbraw/zinc/95/43/01/350954301.db2.gz UOCKCTRNDVEUMM-NSHDSACASA-N 1 2 218.304 1.546 20 30 BDEDLO C[C@@H]([NH2+]CC1(CC#N)CC1)c1csnn1 ZINC000398333379 351037065 /nfs/dbraw/zinc/03/70/65/351037065.db2.gz OFJQUNUXEISVTI-MRVPVSSYSA-N 1 2 222.317 1.883 20 30 BDEDLO C=CCCC[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000398120513 363012801 /nfs/dbraw/zinc/01/28/01/363012801.db2.gz GNVSAEMDJPCBII-QMMMGPOBSA-N 1 2 221.308 1.171 20 30 BDEDLO C=CCCC[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000398120513 363012803 /nfs/dbraw/zinc/01/28/03/363012803.db2.gz GNVSAEMDJPCBII-QMMMGPOBSA-N 1 2 221.308 1.171 20 30 BDEDLO C[C@@H]1CCN(CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000271306405 351411953 /nfs/dbraw/zinc/41/19/53/351411953.db2.gz QBWUXBOVGNJQIA-VXGBXAGGSA-N 1 2 218.304 1.680 20 30 BDEDLO COc1cc[nH+]c(CN(CC#N)C2CC2)c1OC ZINC000276527680 351628852 /nfs/dbraw/zinc/62/88/52/351628852.db2.gz WZXKBDQHPCKFOG-UHFFFAOYSA-N 1 2 247.298 1.587 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2cocn2)CC1 ZINC000277334871 351700132 /nfs/dbraw/zinc/70/01/32/351700132.db2.gz CQCUZNZWNVNKPB-UHFFFAOYSA-N 1 2 205.261 1.800 20 30 BDEDLO Cn1cc[nH+]c1CN1CCCC(C)(C)[C@H]1C#N ZINC000277876539 351732933 /nfs/dbraw/zinc/73/29/33/351732933.db2.gz VBJZIWJFFBHBEF-LLVKDONJSA-N 1 2 232.331 1.934 20 30 BDEDLO Cn1c[nH+]cc1CN1CCCC(C)(C)[C@@H]1C#N ZINC000277935176 351738083 /nfs/dbraw/zinc/73/80/83/351738083.db2.gz YYMKINHRELBXCY-LBPRGKRZSA-N 1 2 232.331 1.934 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577855396 366081584 /nfs/dbraw/zinc/08/15/84/366081584.db2.gz PAZGUQFIRZIBGO-QWRGUYRKSA-N 1 2 234.303 1.452 20 30 BDEDLO C[C@H](CC(=O)N(C)C[C@H](C)C#N)n1cc[nH+]c1 ZINC000577855394 366082435 /nfs/dbraw/zinc/08/24/35/366082435.db2.gz PAZGUQFIRZIBGO-GHMZBOCLSA-N 1 2 234.303 1.452 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577855395 366081751 /nfs/dbraw/zinc/08/17/51/366081751.db2.gz PAZGUQFIRZIBGO-MNOVXSKESA-N 1 2 234.303 1.452 20 30 BDEDLO C[C@@H](O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405124332 351854364 /nfs/dbraw/zinc/85/43/64/351854364.db2.gz MXAUCAJSCWODNI-SNVBAGLBSA-N 1 2 216.284 1.645 20 30 BDEDLO C[C@@H](O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405124332 351854368 /nfs/dbraw/zinc/85/43/68/351854368.db2.gz MXAUCAJSCWODNI-SNVBAGLBSA-N 1 2 216.284 1.645 20 30 BDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CC#N)C1=O ZINC000282003638 351919826 /nfs/dbraw/zinc/91/98/26/351919826.db2.gz NTZRRIXLESDLMH-WDEREUQCSA-N 1 2 221.304 1.007 20 30 BDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)CC#N)C1=O ZINC000282003638 351919830 /nfs/dbraw/zinc/91/98/30/351919830.db2.gz NTZRRIXLESDLMH-WDEREUQCSA-N 1 2 221.304 1.007 20 30 BDEDLO CC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405133718 351895876 /nfs/dbraw/zinc/89/58/76/351895876.db2.gz SLMQCPQKKHEUAG-GFCCVEGCSA-N 1 2 216.284 1.645 20 30 BDEDLO CC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405133718 351895877 /nfs/dbraw/zinc/89/58/77/351895877.db2.gz SLMQCPQKKHEUAG-GFCCVEGCSA-N 1 2 216.284 1.645 20 30 BDEDLO CCn1cc(CC[N@H+](C)CCC#N)cn1 ZINC000284882258 352008360 /nfs/dbraw/zinc/00/83/60/352008360.db2.gz FMKLGQKVNBYPHE-UHFFFAOYSA-N 1 2 206.293 1.291 20 30 BDEDLO CCn1cc(CC[N@@H+](C)CCC#N)cn1 ZINC000284882258 352008363 /nfs/dbraw/zinc/00/83/63/352008363.db2.gz FMKLGQKVNBYPHE-UHFFFAOYSA-N 1 2 206.293 1.291 20 30 BDEDLO C=CCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000284677429 352002638 /nfs/dbraw/zinc/00/26/38/352002638.db2.gz RJDQLDHKIOPPLJ-ZJUUUORDSA-N 1 2 222.292 1.143 20 30 BDEDLO C=CCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000284677429 352002641 /nfs/dbraw/zinc/00/26/41/352002641.db2.gz RJDQLDHKIOPPLJ-ZJUUUORDSA-N 1 2 222.292 1.143 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nccc(OC)c1OC ZINC000286134886 352078401 /nfs/dbraw/zinc/07/84/01/352078401.db2.gz MWISTMXKNHRRJL-UHFFFAOYSA-N 1 2 248.326 1.942 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nccc(OC)c1OC ZINC000286134886 352078405 /nfs/dbraw/zinc/07/84/05/352078405.db2.gz MWISTMXKNHRRJL-UHFFFAOYSA-N 1 2 248.326 1.942 20 30 BDEDLO N#CCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366660511 352183615 /nfs/dbraw/zinc/18/36/15/352183615.db2.gz JJGQAHZGUSWFAF-VIFPVBQESA-N 1 2 218.247 1.382 20 30 BDEDLO N#CCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366660511 352183618 /nfs/dbraw/zinc/18/36/18/352183618.db2.gz JJGQAHZGUSWFAF-VIFPVBQESA-N 1 2 218.247 1.382 20 30 BDEDLO C=CCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411120929 191159744 /nfs/dbraw/zinc/15/97/44/191159744.db2.gz RIRAVUIHOALXGE-UHFFFAOYSA-N 1 2 247.298 1.248 20 30 BDEDLO CCN(Cc1cn(C)c[nH+]1)C[C@H](C)C#N ZINC000618904080 352330059 /nfs/dbraw/zinc/33/00/59/352330059.db2.gz FNZBXMGOYHGXFO-SNVBAGLBSA-N 1 2 206.293 1.402 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCC1(O)CCC1 ZINC000411761757 191208961 /nfs/dbraw/zinc/20/89/61/191208961.db2.gz SOGCNLFWWWTWOR-UHFFFAOYSA-N 1 2 208.305 1.693 20 30 BDEDLO C=CC[N@H+](CCC#N)CCC1(O)CCC1 ZINC000411761757 191208963 /nfs/dbraw/zinc/20/89/63/191208963.db2.gz SOGCNLFWWWTWOR-UHFFFAOYSA-N 1 2 208.305 1.693 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334315248 352946234 /nfs/dbraw/zinc/94/62/34/352946234.db2.gz QLYATTGQLONKEM-UWVGGRQHSA-N 1 2 246.314 1.590 20 30 BDEDLO O=C(CCc1c[nH+]c[nH]1)NCC1(CO)CCC1 ZINC000329535215 538109239 /nfs/dbraw/zinc/10/92/39/538109239.db2.gz ZCZJNWIGEUKIED-UHFFFAOYSA-N 1 2 237.303 1.461 20 30 BDEDLO O=C(CCc1c[nH]c[nH+]1)NCC1(CO)CCC1 ZINC000329535215 538109240 /nfs/dbraw/zinc/10/92/40/538109240.db2.gz ZCZJNWIGEUKIED-UHFFFAOYSA-N 1 2 237.303 1.461 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330972024 353206205 /nfs/dbraw/zinc/20/62/05/353206205.db2.gz MVXKRIBVDYLBSG-NXEZZACHSA-N 1 2 246.314 1.638 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330972024 353206207 /nfs/dbraw/zinc/20/62/07/353206207.db2.gz MVXKRIBVDYLBSG-NXEZZACHSA-N 1 2 246.314 1.638 20 30 BDEDLO Cc1cnc([C@H](C)[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000331123132 353220904 /nfs/dbraw/zinc/22/09/04/353220904.db2.gz AHOLPJARVXVEOQ-KOLCDFICSA-N 1 2 218.304 1.938 20 30 BDEDLO Cc1cnc([C@H](C)[N@H+](C)C[C@H](C)C#N)cn1 ZINC000331123132 353220907 /nfs/dbraw/zinc/22/09/07/353220907.db2.gz AHOLPJARVXVEOQ-KOLCDFICSA-N 1 2 218.304 1.938 20 30 BDEDLO C=CC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000081564920 353410400 /nfs/dbraw/zinc/41/04/00/353410400.db2.gz DQNVHROIARUAEV-QMMMGPOBSA-N 1 2 211.265 1.395 20 30 BDEDLO C=CC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000081564920 353410401 /nfs/dbraw/zinc/41/04/01/353410401.db2.gz DQNVHROIARUAEV-QMMMGPOBSA-N 1 2 211.265 1.395 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081569828 353411023 /nfs/dbraw/zinc/41/10/23/353411023.db2.gz KQPHNRZYRRXVCN-JTQLQIEISA-N 1 2 211.305 1.672 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081569828 353411026 /nfs/dbraw/zinc/41/10/26/353411026.db2.gz KQPHNRZYRRXVCN-JTQLQIEISA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191203672 353448715 /nfs/dbraw/zinc/44/87/15/353448715.db2.gz TTZZDACSHNYZOM-NSHDSACASA-N 1 2 221.329 1.143 20 30 BDEDLO C#CC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191203672 353448717 /nfs/dbraw/zinc/44/87/17/353448717.db2.gz TTZZDACSHNYZOM-NSHDSACASA-N 1 2 221.329 1.143 20 30 BDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccco2)C1=O ZINC000281107963 353429834 /nfs/dbraw/zinc/42/98/34/353429834.db2.gz AZSOIAMJZXMAOE-LBPRGKRZSA-N 1 2 234.299 1.498 20 30 BDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000281107963 353429837 /nfs/dbraw/zinc/42/98/37/353429837.db2.gz AZSOIAMJZXMAOE-LBPRGKRZSA-N 1 2 234.299 1.498 20 30 BDEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000191861997 353515018 /nfs/dbraw/zinc/51/50/18/353515018.db2.gz XXLIVSILZMTXHS-ZDUSSCGKSA-N 1 2 215.296 1.759 20 30 BDEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000191861997 353515019 /nfs/dbraw/zinc/51/50/19/353515019.db2.gz XXLIVSILZMTXHS-ZDUSSCGKSA-N 1 2 215.296 1.759 20 30 BDEDLO C=CC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000284747420 353520969 /nfs/dbraw/zinc/52/09/69/353520969.db2.gz FATSZEPJJAOFHZ-MNOVXSKESA-N 1 2 248.330 1.630 20 30 BDEDLO C=CC[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000284747420 353520972 /nfs/dbraw/zinc/52/09/72/353520972.db2.gz FATSZEPJJAOFHZ-MNOVXSKESA-N 1 2 248.330 1.630 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000192223064 353537546 /nfs/dbraw/zinc/53/75/46/353537546.db2.gz SAGZTWYHTPAGAX-GFCCVEGCSA-N 1 2 240.310 1.893 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000192223064 353537547 /nfs/dbraw/zinc/53/75/47/353537547.db2.gz SAGZTWYHTPAGAX-GFCCVEGCSA-N 1 2 240.310 1.893 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ncnn1C(C)C ZINC000286325173 353558249 /nfs/dbraw/zinc/55/82/49/353558249.db2.gz WTIQRNKNPCARJC-UHFFFAOYSA-N 1 2 220.320 1.703 20 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C=C[C@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000291068837 353679025 /nfs/dbraw/zinc/67/90/25/353679025.db2.gz GUSQOGNYPMHOLE-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO C=C[C@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000291068837 353679026 /nfs/dbraw/zinc/67/90/26/353679026.db2.gz GUSQOGNYPMHOLE-LLVKDONJSA-N 1 2 248.330 1.426 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000343322038 353685872 /nfs/dbraw/zinc/68/58/72/353685872.db2.gz QBKGFVDJATXJMA-DTWKUNHWSA-N 1 2 248.248 1.678 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000343322038 353685875 /nfs/dbraw/zinc/68/58/75/353685875.db2.gz QBKGFVDJATXJMA-DTWKUNHWSA-N 1 2 248.248 1.678 20 30 BDEDLO Cc1nc(NCC#CCO)c2c([nH+]1)CCCC2 ZINC000291105567 353689378 /nfs/dbraw/zinc/68/93/78/353689378.db2.gz KXLKBESAZFIGHN-UHFFFAOYSA-N 1 2 231.299 1.071 20 30 BDEDLO C=CCOCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000293082987 353732806 /nfs/dbraw/zinc/73/28/06/353732806.db2.gz MPMZFYLBHVCOHB-UHFFFAOYSA-N 1 2 229.320 1.463 20 30 BDEDLO C=CCOCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000293082987 353732808 /nfs/dbraw/zinc/73/28/08/353732808.db2.gz MPMZFYLBHVCOHB-UHFFFAOYSA-N 1 2 229.320 1.463 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1occc1C ZINC000292388778 353712892 /nfs/dbraw/zinc/71/28/92/353712892.db2.gz SDGRZBBECVWDBU-UHFFFAOYSA-N 1 2 222.288 1.322 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1occc1C ZINC000292388778 353712895 /nfs/dbraw/zinc/71/28/95/353712895.db2.gz SDGRZBBECVWDBU-UHFFFAOYSA-N 1 2 222.288 1.322 20 30 BDEDLO C=C(C)COCCNc1nc[nH+]c(N)c1Cl ZINC000232481480 353726997 /nfs/dbraw/zinc/72/69/97/353726997.db2.gz DGVJNQWSEDTELP-UHFFFAOYSA-N 1 2 242.710 1.717 20 30 BDEDLO C=C(C)COCCNc1[nH+]cnc(N)c1Cl ZINC000232481480 353727000 /nfs/dbraw/zinc/72/70/00/353727000.db2.gz DGVJNQWSEDTELP-UHFFFAOYSA-N 1 2 242.710 1.717 20 30 BDEDLO C=CCOCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000292895334 353727536 /nfs/dbraw/zinc/72/75/36/353727536.db2.gz VMUKJWWHHADFPL-LLVKDONJSA-N 1 2 229.320 1.461 20 30 BDEDLO C=CCOCC[N@H+](C)[C@H](C)C(=O)OC(C)C 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/nfs/dbraw/zinc/80/35/79/353803579.db2.gz ZQGCNGBVTJCXSX-UHFFFAOYSA-N 1 2 208.309 1.983 20 30 BDEDLO C=CCCCCC[N@H+](C)Cc1cnn[nH]1 ZINC000295142028 353803581 /nfs/dbraw/zinc/80/35/81/353803581.db2.gz ZQGCNGBVTJCXSX-UHFFFAOYSA-N 1 2 208.309 1.983 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cc1c[nH]nn1 ZINC000295142028 353803584 /nfs/dbraw/zinc/80/35/84/353803584.db2.gz ZQGCNGBVTJCXSX-UHFFFAOYSA-N 1 2 208.309 1.983 20 30 BDEDLO C=CCCCCC[N@H+](C)Cc1c[nH]nn1 ZINC000295142028 353803586 /nfs/dbraw/zinc/80/35/86/353803586.db2.gz ZQGCNGBVTJCXSX-UHFFFAOYSA-N 1 2 208.309 1.983 20 30 BDEDLO C=CCCCCC[N@@H+](C)Cc1cn[nH]n1 ZINC000295142028 353803589 /nfs/dbraw/zinc/80/35/89/353803589.db2.gz ZQGCNGBVTJCXSX-UHFFFAOYSA-N 1 2 208.309 1.983 20 30 BDEDLO C=CCCCCC[N@H+](C)Cc1cn[nH]n1 ZINC000295142028 353803591 /nfs/dbraw/zinc/80/35/91/353803591.db2.gz ZQGCNGBVTJCXSX-UHFFFAOYSA-N 1 2 208.309 1.983 20 30 BDEDLO CCCC[C@@H](C(=O)OC)[NH+]1CCC(C#N)CC1 ZINC000067227387 353834901 /nfs/dbraw/zinc/83/49/01/353834901.db2.gz 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CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346443796 354940798 /nfs/dbraw/zinc/94/07/98/354940798.db2.gz YNPDFOVQIRXGFS-NSHDSACASA-N 1 2 248.330 1.173 20 30 BDEDLO C=C(CC)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413325156 191367638 /nfs/dbraw/zinc/36/76/38/191367638.db2.gz UKWPRLKVCCVOBG-JTQLQIEISA-N 1 2 236.319 1.069 20 30 BDEDLO C=C(CC)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413325156 191367640 /nfs/dbraw/zinc/36/76/40/191367640.db2.gz UKWPRLKVCCVOBG-JTQLQIEISA-N 1 2 236.319 1.069 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ns1 ZINC000399093054 355358643 /nfs/dbraw/zinc/35/86/43/355358643.db2.gz BUXIVVQPHUYANC-MRVPVSSYSA-N 1 2 225.317 1.934 20 30 BDEDLO CC#CCN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335792754 355445912 /nfs/dbraw/zinc/44/59/12/355445912.db2.gz QTCBYKMGGMKYSO-JTQLQIEISA-N 1 2 231.299 1.311 20 30 BDEDLO C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329629780 355949667 /nfs/dbraw/zinc/94/96/67/355949667.db2.gz VFSIGNYTYFOUFO-ZJUUUORDSA-N 1 2 248.330 1.665 20 30 BDEDLO C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329629780 355949672 /nfs/dbraw/zinc/94/96/72/355949672.db2.gz VFSIGNYTYFOUFO-ZJUUUORDSA-N 1 2 248.330 1.665 20 30 BDEDLO C=CC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257027 356025227 /nfs/dbraw/zinc/02/52/27/356025227.db2.gz AFVSKXJEGZOSIR-SECBINFHSA-N 1 2 219.288 1.136 20 30 BDEDLO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000329810046 356121125 /nfs/dbraw/zinc/12/11/25/356121125.db2.gz BGDKWZKFLADZKC-ZYHUDNBSSA-N 1 2 248.330 1.318 20 30 BDEDLO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000329810046 356121126 /nfs/dbraw/zinc/12/11/26/356121126.db2.gz BGDKWZKFLADZKC-ZYHUDNBSSA-N 1 2 248.330 1.318 20 30 BDEDLO Cn1c[nH+]cc1CCC(=O)NCC1(O)CCC1 ZINC000330078138 356168542 /nfs/dbraw/zinc/16/85/42/356168542.db2.gz HWJFCBGLJADMNE-UHFFFAOYSA-N 1 2 237.303 1.224 20 30 BDEDLO C=CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000617619527 356190380 /nfs/dbraw/zinc/19/03/80/356190380.db2.gz ZBYDYARAKRKVKP-SECBINFHSA-N 1 2 219.288 1.207 20 30 BDEDLO C=CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000617619527 356190382 /nfs/dbraw/zinc/19/03/82/356190382.db2.gz ZBYDYARAKRKVKP-SECBINFHSA-N 1 2 219.288 1.207 20 30 BDEDLO N#CCC1(O)C[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000190980019 358501091 /nfs/dbraw/zinc/50/10/91/358501091.db2.gz ZFPJJFKTHDZIFZ-UHFFFAOYSA-N 1 2 241.294 1.628 20 30 BDEDLO N#CCSCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623037 356403480 /nfs/dbraw/zinc/40/34/80/356403480.db2.gz GEGKHCPEUUNHKD-UHFFFAOYSA-N 1 2 246.295 1.530 20 30 BDEDLO C[C@@H]1OCC[N@H+](CC2(C#N)CCC2)[C@H]1C ZINC000336195790 134125492 /nfs/dbraw/zinc/12/54/92/134125492.db2.gz DSYIHPVVZDMRRK-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C[C@@H]1OCC[N@@H+](CC2(C#N)CCC2)[C@H]1C ZINC000336195790 134125493 /nfs/dbraw/zinc/12/54/93/134125493.db2.gz DSYIHPVVZDMRRK-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000639664170 356578441 /nfs/dbraw/zinc/57/84/41/356578441.db2.gz GQMPGEAVAIRNCC-MNOVXSKESA-N 1 2 249.314 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CC[C@H](CC#N)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000583153525 357496876 /nfs/dbraw/zinc/49/68/76/357496876.db2.gz MCQDGXFMVISYIB-SNVBAGLBSA-N 1 2 223.320 1.137 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H](CC)C(C)C)C(=O)OC ZINC000361109561 134203555 /nfs/dbraw/zinc/20/35/55/134203555.db2.gz NGPSRWRRCCOWGT-NEPJUHHUSA-N 1 2 243.347 1.755 20 30 BDEDLO Cc1cnccc1CC[N@H+](C)CCC#N ZINC000397634091 357617891 /nfs/dbraw/zinc/61/78/91/357617891.db2.gz HXZKYSSDHHYJJR-UHFFFAOYSA-N 1 2 203.289 1.778 20 30 BDEDLO Cc1cnccc1CC[N@@H+](C)CCC#N ZINC000397634091 357617895 /nfs/dbraw/zinc/61/78/95/357617895.db2.gz HXZKYSSDHHYJJR-UHFFFAOYSA-N 1 2 203.289 1.778 20 30 BDEDLO CCN(CC[N@@H+]1CCOC[C@@H]1C)C[C@@H](C)C#N ZINC000191467708 357772015 /nfs/dbraw/zinc/77/20/15/357772015.db2.gz UEHPKZZDOWBBTR-STQMWFEESA-N 1 2 239.363 1.189 20 30 BDEDLO CCN(CC[N@H+]1CCOC[C@@H]1C)C[C@@H](C)C#N ZINC000191467708 357772019 /nfs/dbraw/zinc/77/20/19/357772019.db2.gz UEHPKZZDOWBBTR-STQMWFEESA-N 1 2 239.363 1.189 20 30 BDEDLO 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N#CCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000049752166 358699349 /nfs/dbraw/zinc/69/93/49/358699349.db2.gz BJINAHONEKTIDQ-UHFFFAOYSA-N 1 2 235.331 1.234 20 30 BDEDLO CC[N@@H+](Cc1cccnc1N)C[C@H](C)C#N ZINC000052729644 358791672 /nfs/dbraw/zinc/79/16/72/358791672.db2.gz ZTEVHHOTNCFIHM-SNVBAGLBSA-N 1 2 218.304 1.645 20 30 BDEDLO CC[N@H+](Cc1cccnc1N)C[C@H](C)C#N ZINC000052729644 358791673 /nfs/dbraw/zinc/79/16/73/358791673.db2.gz ZTEVHHOTNCFIHM-SNVBAGLBSA-N 1 2 218.304 1.645 20 30 BDEDLO CC[C@](C)(C#N)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000136260607 358870843 /nfs/dbraw/zinc/87/08/43/358870843.db2.gz NMSCBTMDWFSSBH-LLVKDONJSA-N 1 2 220.276 1.308 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057982 358880500 /nfs/dbraw/zinc/88/05/00/358880500.db2.gz WOXOXXXIBCHJCM-JTQLQIEISA-N 1 2 236.315 1.711 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057982 358880502 /nfs/dbraw/zinc/88/05/02/358880502.db2.gz WOXOXXXIBCHJCM-JTQLQIEISA-N 1 2 236.315 1.711 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171625 358924627 /nfs/dbraw/zinc/92/46/27/358924627.db2.gz OAZANPYAALIMIV-MNOVXSKESA-N 1 2 244.360 1.045 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171625 358924629 /nfs/dbraw/zinc/92/46/29/358924629.db2.gz OAZANPYAALIMIV-MNOVXSKESA-N 1 2 244.360 1.045 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccn1 ZINC000611181103 358928901 /nfs/dbraw/zinc/92/89/01/358928901.db2.gz HKZNNPBBRRFELF-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccn1 ZINC000611181103 358928903 /nfs/dbraw/zinc/92/89/03/358928903.db2.gz HKZNNPBBRRFELF-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccccc1C#N ZINC000611191187 359100472 /nfs/dbraw/zinc/10/04/72/359100472.db2.gz ZBKBGMNTFWELAL-UHFFFAOYSA-N 1 2 226.283 1.913 20 30 BDEDLO CCc1nn(C)cc1C[N@H+](CC)CCC#N ZINC000611410510 359360726 /nfs/dbraw/zinc/36/07/26/359360726.db2.gz AGUCZDOCJZVDOL-UHFFFAOYSA-N 1 2 220.320 1.718 20 30 BDEDLO CCc1nn(C)cc1C[N@@H+](CC)CCC#N ZINC000611410510 359360727 /nfs/dbraw/zinc/36/07/27/359360727.db2.gz AGUCZDOCJZVDOL-UHFFFAOYSA-N 1 2 220.320 1.718 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(F)c1)C1CC1 ZINC000274119327 359510826 /nfs/dbraw/zinc/51/08/26/359510826.db2.gz GOOBOWHCIDBSKF-UHFFFAOYSA-N 1 2 246.285 1.862 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1cccc(F)c1)C1CC1 ZINC000274119327 359510831 /nfs/dbraw/zinc/51/08/31/359510831.db2.gz GOOBOWHCIDBSKF-UHFFFAOYSA-N 1 2 246.285 1.862 20 30 BDEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162988 359714326 /nfs/dbraw/zinc/71/43/26/359714326.db2.gz MGYMUIXJVQJMGV-ZWNOBZJWSA-N 1 2 235.331 1.279 20 30 BDEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162988 359714329 /nfs/dbraw/zinc/71/43/29/359714329.db2.gz MGYMUIXJVQJMGV-ZWNOBZJWSA-N 1 2 235.331 1.279 20 30 BDEDLO C=CCC[N@@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450822827 202274701 /nfs/dbraw/zinc/27/47/01/202274701.db2.gz UHTILLKHLHDIQS-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO C=CCC[N@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450822827 202274704 /nfs/dbraw/zinc/27/47/04/202274704.db2.gz UHTILLKHLHDIQS-UHFFFAOYSA-N 1 2 240.328 1.938 20 30 BDEDLO C=C[C@H](O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000612226157 359740424 /nfs/dbraw/zinc/74/04/24/359740424.db2.gz IBLZKJOMGYHKJG-JTQLQIEISA-N 1 2 206.245 1.184 20 30 BDEDLO CCn1cc(C[NH2+]Cc2cccc(C#N)c2)nn1 ZINC000404460640 359832314 /nfs/dbraw/zinc/83/23/14/359832314.db2.gz KEHUKBMMZPEWNB-UHFFFAOYSA-N 1 2 241.298 1.459 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000612585048 359898038 /nfs/dbraw/zinc/89/80/38/359898038.db2.gz MAFTVLZDLSYWOO-QMMMGPOBSA-N 1 2 237.234 1.983 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451183306 202373980 /nfs/dbraw/zinc/37/39/80/202373980.db2.gz IRXDSUPSRNKTBW-NSHDSACASA-N 1 2 228.311 1.455 20 30 BDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451183306 202373984 /nfs/dbraw/zinc/37/39/84/202373984.db2.gz IRXDSUPSRNKTBW-NSHDSACASA-N 1 2 228.311 1.455 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000612585025 359896992 /nfs/dbraw/zinc/89/69/92/359896992.db2.gz JKUBACSLFAJJAV-SECBINFHSA-N 1 2 232.262 1.723 20 30 BDEDLO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]CC#N ZINC000614199865 363740918 /nfs/dbraw/zinc/74/09/18/363740918.db2.gz BHMQUUQWAKYSDP-PWSUYJOCSA-N 1 2 235.331 1.137 20 30 BDEDLO C=CCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614209028 363744406 /nfs/dbraw/zinc/74/44/06/363744406.db2.gz FAMJYAVKHDBLLE-JTQLQIEISA-N 1 2 233.315 1.597 20 30 BDEDLO C=CCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614209028 363744411 /nfs/dbraw/zinc/74/44/11/363744411.db2.gz FAMJYAVKHDBLLE-JTQLQIEISA-N 1 2 233.315 1.597 20 30 BDEDLO C[C@H](CNc1ncccc1C#N)Cn1cc[nH+]c1 ZINC000060380076 360454972 /nfs/dbraw/zinc/45/49/72/360454972.db2.gz FGDDPIFYDDOGHL-LLVKDONJSA-N 1 2 241.298 1.898 20 30 BDEDLO N#CCCNCc1c[nH+]c2n1CCCC2 ZINC000572476835 360633211 /nfs/dbraw/zinc/63/32/11/360633211.db2.gz NFLWAXZVVXCAIR-UHFFFAOYSA-N 1 2 204.277 1.223 20 30 BDEDLO N#CCC[NH2+]Cc1cnc2n1CCCC2 ZINC000572476835 360633215 /nfs/dbraw/zinc/63/32/15/360633215.db2.gz NFLWAXZVVXCAIR-UHFFFAOYSA-N 1 2 204.277 1.223 20 30 BDEDLO O[C@@]12C[C@@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000640482812 361269212 /nfs/dbraw/zinc/26/92/12/361269212.db2.gz TYOASIYKPYAZIE-TZMCWYRMSA-N 1 2 247.725 1.758 20 30 BDEDLO O[C@@]12C[C@@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000640482812 361269218 /nfs/dbraw/zinc/26/92/18/361269218.db2.gz TYOASIYKPYAZIE-TZMCWYRMSA-N 1 2 247.725 1.758 20 30 BDEDLO C[C@@H](C#N)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579014428 366697074 /nfs/dbraw/zinc/69/70/74/366697074.db2.gz BFXVAISELLRYLH-VHSXEESVSA-N 1 2 220.276 1.110 20 30 BDEDLO C[C@H](CC(=O)NC[C@H](C)C#N)n1cc[nH+]c1 ZINC000579014426 366697148 /nfs/dbraw/zinc/69/71/48/366697148.db2.gz BFXVAISELLRYLH-NXEZZACHSA-N 1 2 220.276 1.110 20 30 BDEDLO C=C(C)CN(CC)C(=O)COc1cc[nH+]cc1 ZINC000431490216 192918122 /nfs/dbraw/zinc/91/81/22/192918122.db2.gz XXAQJUOALYQGGO-UHFFFAOYSA-N 1 2 234.299 1.885 20 30 BDEDLO C[C@@H]([NH2+]CCC#N)C(=O)N1CCCC[C@H]1C ZINC000579344685 366762516 /nfs/dbraw/zinc/76/25/16/366762516.db2.gz HFIKFRWXCSBQIW-GHMZBOCLSA-N 1 2 223.320 1.279 20 30 BDEDLO C[C@H]([NH2+]CCC#N)C(=O)N1CCCC[C@@H]1C ZINC000579344687 366762930 /nfs/dbraw/zinc/76/29/30/366762930.db2.gz HFIKFRWXCSBQIW-QWRGUYRKSA-N 1 2 223.320 1.279 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000429837094 201133724 /nfs/dbraw/zinc/13/37/24/201133724.db2.gz DHFADEATNZTQFO-NSHDSACASA-N 1 2 235.331 1.990 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)ncn1 ZINC000579430223 366782129 /nfs/dbraw/zinc/78/21/29/366782129.db2.gz MTQIZEOSYQZMFO-SNVBAGLBSA-N 1 2 204.277 1.567 20 30 BDEDLO C[N@H+](CC(=O)NC1CCCC1)CC(C)(C)C#N ZINC000433302777 201178519 /nfs/dbraw/zinc/17/85/19/201178519.db2.gz JEXOHAUDLBKHRZ-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO C[N@@H+](CC(=O)NC1CCCC1)CC(C)(C)C#N ZINC000433302777 201178525 /nfs/dbraw/zinc/17/85/25/201178525.db2.gz JEXOHAUDLBKHRZ-UHFFFAOYSA-N 1 2 237.347 1.527 20 30 BDEDLO C[C@@H]1C[N@H+](CCN(C)CC(C)(C)C#N)CCO1 ZINC000433311715 201180459 /nfs/dbraw/zinc/18/04/59/201180459.db2.gz IOLYISVCXWQAMJ-GFCCVEGCSA-N 1 2 239.363 1.189 20 30 BDEDLO C[C@@H]1C[N@@H+](CCN(C)CC(C)(C)C#N)CCO1 ZINC000433311715 201180462 /nfs/dbraw/zinc/18/04/62/201180462.db2.gz IOLYISVCXWQAMJ-GFCCVEGCSA-N 1 2 239.363 1.189 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433299815 201176246 /nfs/dbraw/zinc/17/62/46/201176246.db2.gz CEWWRKWFWWHOGS-NSHDSACASA-N 1 2 239.363 1.629 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433299815 201176248 /nfs/dbraw/zinc/17/62/48/201176248.db2.gz CEWWRKWFWWHOGS-NSHDSACASA-N 1 2 239.363 1.629 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433287110 201177321 /nfs/dbraw/zinc/17/73/21/201177321.db2.gz KVGDWHFAVYWNOR-NSHDSACASA-N 1 2 239.363 1.723 20 30 BDEDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433287110 201177323 /nfs/dbraw/zinc/17/73/23/201177323.db2.gz KVGDWHFAVYWNOR-NSHDSACASA-N 1 2 239.363 1.723 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000619720472 363924868 /nfs/dbraw/zinc/92/48/68/363924868.db2.gz HOOUCWKDPVWCFF-QJPTWQEYSA-N 1 2 241.331 1.197 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000619720472 363924869 /nfs/dbraw/zinc/92/48/69/363924869.db2.gz HOOUCWKDPVWCFF-QJPTWQEYSA-N 1 2 241.331 1.197 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nncn1C ZINC000542773705 364090620 /nfs/dbraw/zinc/09/06/20/364090620.db2.gz WWTOSJSRVCSDSO-UHFFFAOYSA-N 1 2 246.314 1.639 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)Cc1nncn1C ZINC000542773705 364090625 /nfs/dbraw/zinc/09/06/25/364090625.db2.gz WWTOSJSRVCSDSO-UHFFFAOYSA-N 1 2 246.314 1.639 20 30 BDEDLO C=CCCOCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134596960 541358326 /nfs/dbraw/zinc/35/83/26/541358326.db2.gz KAZGEQXMZLDJQW-JTQLQIEISA-N 1 2 223.320 1.961 20 30 BDEDLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC1=O ZINC000330093854 541366518 /nfs/dbraw/zinc/36/65/18/541366518.db2.gz SCBOYZGDMQPGLH-VIFPVBQESA-N 1 2 235.287 1.668 20 30 BDEDLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC1=O ZINC000330093854 541366522 /nfs/dbraw/zinc/36/65/22/541366522.db2.gz SCBOYZGDMQPGLH-VIFPVBQESA-N 1 2 235.287 1.668 20 30 BDEDLO COc1cnccc1[C@@H](C)[NH2+]CCC#N ZINC000573480050 364842894 /nfs/dbraw/zinc/84/28/94/364842894.db2.gz DYAWIHUVBYVWBK-SECBINFHSA-N 1 2 205.261 1.654 20 30 BDEDLO N#C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000332848113 541397431 /nfs/dbraw/zinc/39/74/31/541397431.db2.gz SSMWNSRKJOWMKH-MWLCHTKSSA-N 1 2 232.287 1.151 20 30 BDEDLO N#C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000332848113 541397435 /nfs/dbraw/zinc/39/74/35/541397435.db2.gz SSMWNSRKJOWMKH-MWLCHTKSSA-N 1 2 232.287 1.151 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000574364249 365045299 /nfs/dbraw/zinc/04/52/99/365045299.db2.gz KLXSVIZEYKLBDW-NEPJUHHUSA-N 1 2 232.283 1.342 20 30 BDEDLO CC[C@@H](CC#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574815741 365145326 /nfs/dbraw/zinc/14/53/26/365145326.db2.gz DEQGTQXGZSEPAX-QWRGUYRKSA-N 1 2 234.303 1.643 20 30 BDEDLO C=CC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171942781 365260322 /nfs/dbraw/zinc/26/03/22/365260322.db2.gz RFSXKPWZQDKYGD-UHFFFAOYSA-N 1 2 243.314 1.766 20 30 BDEDLO C[N@H+](C[C@@H]1CCCC[C@H]1O)C(C)(C)C#N ZINC000336137938 365312394 /nfs/dbraw/zinc/31/23/94/365312394.db2.gz YCKIUOJXMUPTBV-WDEREUQCSA-N 1 2 210.321 1.771 20 30 BDEDLO C[N@@H+](C[C@@H]1CCCC[C@H]1O)C(C)(C)C#N ZINC000336137938 365312399 /nfs/dbraw/zinc/31/23/99/365312399.db2.gz YCKIUOJXMUPTBV-WDEREUQCSA-N 1 2 210.321 1.771 20 30 BDEDLO COC(=O)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000194541390 367303237 /nfs/dbraw/zinc/30/32/37/367303237.db2.gz VRLZRCXQBZNDOP-SNVBAGLBSA-N 1 2 232.283 1.724 20 30 BDEDLO COC(=O)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000194541390 367303244 /nfs/dbraw/zinc/30/32/44/367303244.db2.gz VRLZRCXQBZNDOP-SNVBAGLBSA-N 1 2 232.283 1.724 20 30 BDEDLO CC(C)[C@@H]([NH2+]CCC#N)c1nncn1C ZINC000581365697 367396840 /nfs/dbraw/zinc/39/68/40/367396840.db2.gz CFZCQCFHMNYAHA-SECBINFHSA-N 1 2 207.281 1.015 20 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CC[N@@H+](CC(=O)N(C)CC1CC1)C[C@@H](C)C#N ZINC000064249098 368603133 /nfs/dbraw/zinc/60/31/33/368603133.db2.gz GVTJWOMSOFDKRS-NSHDSACASA-N 1 2 237.347 1.336 20 30 BDEDLO CC[N@H+](CC(=O)N(C)CC1CC1)C[C@@H](C)C#N ZINC000064249098 368603139 /nfs/dbraw/zinc/60/31/39/368603139.db2.gz GVTJWOMSOFDKRS-NSHDSACASA-N 1 2 237.347 1.336 20 30 BDEDLO C=C[C@@](C)(O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000616115339 368960252 /nfs/dbraw/zinc/96/02/52/368960252.db2.gz JDMLTABYNKUHKR-CYBMUJFWSA-N 1 2 234.299 1.252 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000618903965 369237039 /nfs/dbraw/zinc/23/70/39/369237039.db2.gz YLHCHPZBFCAWJX-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000618903965 369237043 /nfs/dbraw/zinc/23/70/43/369237043.db2.gz YLHCHPZBFCAWJX-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO C=CCC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC000619110633 369285844 /nfs/dbraw/zinc/28/58/44/369285844.db2.gz HQJKIMAPUUJMTJ-UHFFFAOYSA-N 1 2 247.342 1.968 20 30 BDEDLO CC[C@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1O ZINC000400068351 369342138 /nfs/dbraw/zinc/34/21/38/369342138.db2.gz FOYSVSFQXRRLFG-GXFFZTMASA-N 1 2 231.299 1.469 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC000619433894 369352580 /nfs/dbraw/zinc/35/25/80/369352580.db2.gz LISLBTKGEOFIGD-LLVKDONJSA-N 1 2 234.303 1.397 20 30 BDEDLO CC(C)C[C@H](C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC000619433894 369352586 /nfs/dbraw/zinc/35/25/86/369352586.db2.gz LISLBTKGEOFIGD-LLVKDONJSA-N 1 2 234.303 1.397 20 30 BDEDLO COC(=O)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405080289 369444979 /nfs/dbraw/zinc/44/49/79/369444979.db2.gz FSVCIOXZOSERCH-UHFFFAOYSA-N 1 2 244.294 1.827 20 30 BDEDLO COC(=O)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405080289 369444983 /nfs/dbraw/zinc/44/49/83/369444983.db2.gz FSVCIOXZOSERCH-UHFFFAOYSA-N 1 2 244.294 1.827 20 30 BDEDLO CCOC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405076881 369444111 /nfs/dbraw/zinc/44/41/11/369444111.db2.gz BZCJMLAQHNPVMJ-UHFFFAOYSA-N 1 2 244.294 1.827 20 30 BDEDLO CCOC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405076881 369444119 /nfs/dbraw/zinc/44/41/19/369444119.db2.gz BZCJMLAQHNPVMJ-UHFFFAOYSA-N 1 2 244.294 1.827 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000619703050 369535601 /nfs/dbraw/zinc/53/56/01/369535601.db2.gz CZZQKQGOBHWVRY-QWRGUYRKSA-N 1 2 239.315 1.405 20 30 BDEDLO C=C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000619703047 369535673 /nfs/dbraw/zinc/53/56/73/369535673.db2.gz CZZQKQGOBHWVRY-GHMZBOCLSA-N 1 2 239.315 1.405 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](COCC)C1 ZINC000619718021 369546963 /nfs/dbraw/zinc/54/69/63/369546963.db2.gz LZCAXOFCEQRYGI-VXGBXAGGSA-N 1 2 241.331 1.463 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](COCC)C1 ZINC000619718021 369546970 /nfs/dbraw/zinc/54/69/70/369546970.db2.gz LZCAXOFCEQRYGI-VXGBXAGGSA-N 1 2 241.331 1.463 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000619717806 369547128 /nfs/dbraw/zinc/54/71/28/369547128.db2.gz LWAJTTQNDCJCGK-QWRGUYRKSA-N 1 2 235.283 1.797 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000619717806 369547131 /nfs/dbraw/zinc/54/71/31/369547131.db2.gz LWAJTTQNDCJCGK-QWRGUYRKSA-N 1 2 235.283 1.797 20 30 BDEDLO C=C[C@H](C(=O)OC)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619717375 369547607 /nfs/dbraw/zinc/54/76/07/369547607.db2.gz FKLHAQGAOBJTDW-NWDGAFQWSA-N 1 2 249.314 1.248 20 30 BDEDLO Cc1cc(NCC[C@@H](O)C(F)F)c(C#N)c[nH+]1 ZINC000601222735 369609703 /nfs/dbraw/zinc/60/97/03/369609703.db2.gz OOOSZDMUIHADKU-SNVBAGLBSA-N 1 2 241.241 1.112 20 30 BDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435181 369788016 /nfs/dbraw/zinc/78/80/16/369788016.db2.gz RPEXOORIBUYNLT-JTQLQIEISA-N 1 2 217.272 1.174 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602435181 369788024 /nfs/dbraw/zinc/78/80/24/369788024.db2.gz RPEXOORIBUYNLT-JTQLQIEISA-N 1 2 217.272 1.174 20 30 BDEDLO C[C@H]1C[NH+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602431459 369788413 /nfs/dbraw/zinc/78/84/13/369788413.db2.gz MZYPDAYCZYWJIG-QWRGUYRKSA-N 1 2 231.299 1.562 20 30 BDEDLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602446356 369788677 /nfs/dbraw/zinc/78/86/77/369788677.db2.gz CXEAVEWFGDOSHA-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO CC[C@@H]1COCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602446356 369788678 /nfs/dbraw/zinc/78/86/78/369788678.db2.gz CXEAVEWFGDOSHA-CYBMUJFWSA-N 1 2 231.299 1.564 20 30 BDEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000602469808 369790970 /nfs/dbraw/zinc/79/09/70/369790970.db2.gz FCGYARIIJKCLRY-BETUJISGSA-N 1 2 229.283 1.316 20 30 BDEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000602469808 369790976 /nfs/dbraw/zinc/79/09/76/369790976.db2.gz FCGYARIIJKCLRY-BETUJISGSA-N 1 2 229.283 1.316 20 30 BDEDLO N#Cc1c(F)cccc1C[NH+]1CC(CCO)C1 ZINC000602691627 369842789 /nfs/dbraw/zinc/84/27/89/369842789.db2.gz XSPILEHEVDEVST-UHFFFAOYSA-N 1 2 234.274 1.512 20 30 BDEDLO C=CCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620593986 369946746 /nfs/dbraw/zinc/94/67/46/369946746.db2.gz AHFWMIDOBQPFMV-VIFPVBQESA-N 1 2 207.277 1.564 20 30 BDEDLO CC#CC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621355706 370291926 /nfs/dbraw/zinc/29/19/26/370291926.db2.gz UZEXQWIAQULWLZ-ZDUSSCGKSA-N 1 2 249.335 1.269 20 30 BDEDLO COCC[N@H+](CCC#N)Cc1cccc(O)c1 ZINC000094680057 370448514 /nfs/dbraw/zinc/44/85/14/370448514.db2.gz JHOFCMXWEDVYRA-UHFFFAOYSA-N 1 2 234.299 1.754 20 30 BDEDLO COCC[N@@H+](CCC#N)Cc1cccc(O)c1 ZINC000094680057 370448520 /nfs/dbraw/zinc/44/85/20/370448520.db2.gz JHOFCMXWEDVYRA-UHFFFAOYSA-N 1 2 234.299 1.754 20 30 BDEDLO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000161865634 371574839 /nfs/dbraw/zinc/57/48/39/371574839.db2.gz DOWQUEABKRJWBM-UWVGGRQHSA-N 1 2 211.309 1.039 20 30 BDEDLO N#Cc1csc(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000162096665 371610225 /nfs/dbraw/zinc/61/02/25/371610225.db2.gz LFZYUFUOXPSFLT-NSHDSACASA-N 1 2 249.339 1.460 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000162096665 371610230 /nfs/dbraw/zinc/61/02/30/371610230.db2.gz LFZYUFUOXPSFLT-NSHDSACASA-N 1 2 249.339 1.460 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2cc(C)no2)nn1 ZINC000631163671 372213685 /nfs/dbraw/zinc/21/36/85/372213685.db2.gz RXNDATUCAOQEJE-UHFFFAOYSA-N 1 2 233.275 1.050 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633021355 373254323 /nfs/dbraw/zinc/25/43/23/373254323.db2.gz ZXONRYOLDWKAJZ-SECBINFHSA-N 1 2 222.292 1.516 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C#N)c(F)c1 ZINC000192051189 259580800 /nfs/dbraw/zinc/58/08/00/259580800.db2.gz AJQFSFGUVVKLMF-UHFFFAOYSA-N 1 2 226.254 1.766 20 30 BDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCCC(C)C ZINC000042454415 169815614 /nfs/dbraw/zinc/81/56/14/169815614.db2.gz VQNIKLOEXIIZIU-GFCCVEGCSA-N 1 2 239.363 1.773 20 30 BDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCCC(C)C ZINC000042454415 169815616 /nfs/dbraw/zinc/81/56/16/169815616.db2.gz VQNIKLOEXIIZIU-GFCCVEGCSA-N 1 2 239.363 1.773 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000293001802 532982558 /nfs/dbraw/zinc/98/25/58/532982558.db2.gz ZEZYPSZKIBMNKS-UHFFFAOYSA-N 1 2 220.320 1.772 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000293001802 532982561 /nfs/dbraw/zinc/98/25/61/532982561.db2.gz ZEZYPSZKIBMNKS-UHFFFAOYSA-N 1 2 220.320 1.772 20 30 BDEDLO C#CCC(C)(C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000373348813 532992285 /nfs/dbraw/zinc/99/22/85/532992285.db2.gz PTGOWCIKNRYDIA-UHFFFAOYSA-N 1 2 245.326 1.583 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccnc(N)c1 ZINC000052727914 134386215 /nfs/dbraw/zinc/38/62/15/134386215.db2.gz GIUVRKDPRSSAMS-UHFFFAOYSA-N 1 2 204.277 1.399 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccnc(N)c1 ZINC000052727914 134386217 /nfs/dbraw/zinc/38/62/17/134386217.db2.gz GIUVRKDPRSSAMS-UHFFFAOYSA-N 1 2 204.277 1.399 20 30 BDEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1nnnn1C ZINC000188670651 384107914 /nfs/dbraw/zinc/10/79/14/384107914.db2.gz OAZBZJCZZGLFFI-VIFPVBQESA-N 1 2 209.297 1.169 20 30 BDEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1nnnn1C ZINC000188670651 384107917 /nfs/dbraw/zinc/10/79/17/384107917.db2.gz OAZBZJCZZGLFFI-VIFPVBQESA-N 1 2 209.297 1.169 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185956525 134396980 /nfs/dbraw/zinc/39/69/80/134396980.db2.gz CEISVZWBVVLNAM-JTQLQIEISA-N 1 2 216.712 1.469 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185956525 134396981 /nfs/dbraw/zinc/39/69/81/134396981.db2.gz CEISVZWBVVLNAM-JTQLQIEISA-N 1 2 216.712 1.469 20 30 BDEDLO N#CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082275226 384220400 /nfs/dbraw/zinc/22/04/00/384220400.db2.gz TXXWLKFHERGVKL-VIFPVBQESA-N 1 2 218.260 1.029 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000374306986 533053970 /nfs/dbraw/zinc/05/39/70/533053970.db2.gz GCEAFMGKFCWPLB-GFCCVEGCSA-N 1 2 233.315 1.423 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000374306986 533053973 /nfs/dbraw/zinc/05/39/73/533053973.db2.gz GCEAFMGKFCWPLB-GFCCVEGCSA-N 1 2 233.315 1.423 20 30 BDEDLO CC1(C(N)=O)C[NH+](Cc2ccc(C#N)o2)C1 ZINC000335424923 384283965 /nfs/dbraw/zinc/28/39/65/384283965.db2.gz SROJGBKHGUAEHO-UHFFFAOYSA-N 1 2 219.244 1.508 20 30 BDEDLO Cc1cc(N[C@@H]2CS[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335512211 384296575 /nfs/dbraw/zinc/29/65/75/384296575.db2.gz PZZMAVUZSAPEAY-ONGXEEELSA-N 1 2 233.340 1.990 20 30 BDEDLO Cc1cc(NC[C@H]2C[C@@H]2C)c(C#N)c[nH+]1 ZINC000335509882 384296633 /nfs/dbraw/zinc/29/66/33/384296633.db2.gz IFKSWZCDMPUSDX-WCBMZHEXSA-N 1 2 201.273 1.752 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(F)ccc1OC ZINC000076185380 384362835 /nfs/dbraw/zinc/36/28/35/384362835.db2.gz DQUVXZXOXRKOQP-UHFFFAOYSA-N 1 2 231.270 1.903 20 30 BDEDLO Cn1cc[nH+]c1CNc1ccnc(C#N)c1 ZINC000082425108 384478953 /nfs/dbraw/zinc/47/89/53/384478953.db2.gz YNUMZGPHIQNOJX-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C#CCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277498518 533069015 /nfs/dbraw/zinc/06/90/15/533069015.db2.gz RBLLWEGHGANRGT-UHFFFAOYSA-N 1 2 248.355 1.465 20 30 BDEDLO C#CCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277498518 533069023 /nfs/dbraw/zinc/06/90/23/533069023.db2.gz RBLLWEGHGANRGT-UHFFFAOYSA-N 1 2 248.355 1.465 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000097079330 384493943 /nfs/dbraw/zinc/49/39/43/384493943.db2.gz UHGGRZFIALEVPT-SNVBAGLBSA-N 1 2 231.299 1.519 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000097079330 384493946 /nfs/dbraw/zinc/49/39/46/384493946.db2.gz UHGGRZFIALEVPT-SNVBAGLBSA-N 1 2 231.299 1.519 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000161840478 384533088 /nfs/dbraw/zinc/53/30/88/384533088.db2.gz UMJMXJLBVGIZLH-VIFPVBQESA-N 1 2 237.263 1.025 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000161840478 384533092 /nfs/dbraw/zinc/53/30/92/384533092.db2.gz UMJMXJLBVGIZLH-VIFPVBQESA-N 1 2 237.263 1.025 20 30 BDEDLO C#CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000491752992 384552816 /nfs/dbraw/zinc/55/28/16/384552816.db2.gz NKZOYPLSXGJVNU-LLVKDONJSA-N 1 2 243.310 1.454 20 30 BDEDLO Cc1nc(CC(N)=[NH+]OCC2CC2)cs1 ZINC000124080802 384612483 /nfs/dbraw/zinc/61/24/83/384612483.db2.gz WUPGCRKBWLANNL-UHFFFAOYSA-N 1 2 225.317 1.693 20 30 BDEDLO C#CC[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000154434310 384621754 /nfs/dbraw/zinc/62/17/54/384621754.db2.gz JYPSCGCECHBIMI-UHFFFAOYSA-N 1 2 249.383 1.456 20 30 BDEDLO C=CC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155539431 384734806 /nfs/dbraw/zinc/73/48/06/384734806.db2.gz ZGLAIIBONDACPQ-NSHDSACASA-N 1 2 243.314 1.045 20 30 BDEDLO C=CC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155539431 384734811 /nfs/dbraw/zinc/73/48/11/384734811.db2.gz ZGLAIIBONDACPQ-NSHDSACASA-N 1 2 243.314 1.045 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152113748 384952550 /nfs/dbraw/zinc/95/25/50/384952550.db2.gz ICUPTVSNVNUNPM-LLVKDONJSA-N 1 2 245.330 1.775 20 30 BDEDLO N#CCC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152113748 384952555 /nfs/dbraw/zinc/95/25/55/384952555.db2.gz ICUPTVSNVNUNPM-LLVKDONJSA-N 1 2 245.330 1.775 20 30 BDEDLO N#C[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000106308537 384910513 /nfs/dbraw/zinc/91/05/13/384910513.db2.gz MOFAAQAGDJFJKN-LBPRGKRZSA-N 1 2 242.282 1.059 20 30 BDEDLO C=CCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000165326513 385105163 /nfs/dbraw/zinc/10/51/63/385105163.db2.gz JNRZXUOONXBTCM-UHFFFAOYSA-N 1 2 236.271 1.527 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nncn1C(C)C ZINC000644786176 385220369 /nfs/dbraw/zinc/22/03/69/385220369.db2.gz OJUDCFPWDQJIBI-LLVKDONJSA-N 1 2 238.335 1.228 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nncn1C(C)C ZINC000644786176 385220376 /nfs/dbraw/zinc/22/03/76/385220376.db2.gz OJUDCFPWDQJIBI-LLVKDONJSA-N 1 2 238.335 1.228 20 30 BDEDLO CCCN(CC#N)CCCn1cc[nH+]c1 ZINC000045092748 385242906 /nfs/dbraw/zinc/24/29/06/385242906.db2.gz HGZPKAIVBGYNRG-UHFFFAOYSA-N 1 2 206.293 1.509 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000491639145 385287093 /nfs/dbraw/zinc/28/70/93/385287093.db2.gz YJVAQSIGQVXENE-NWDGAFQWSA-N 1 2 245.326 1.364 20 30 BDEDLO C#CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000302781249 533112108 /nfs/dbraw/zinc/11/21/08/533112108.db2.gz RZAMGBQJMAICEP-UHFFFAOYSA-N 1 2 203.289 1.978 20 30 BDEDLO COC[C@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178308162 385351177 /nfs/dbraw/zinc/35/11/77/385351177.db2.gz UAKHWDKTTAMILI-ZETCQYMHSA-N 1 2 243.332 1.318 20 30 BDEDLO C=CCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492921382 385466389 /nfs/dbraw/zinc/46/63/89/385466389.db2.gz JSEMVIMLZYIVHX-PLNGDYQASA-N 1 2 230.271 1.351 20 30 BDEDLO Cc1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)oc1C ZINC000592152641 385567371 /nfs/dbraw/zinc/56/73/71/385567371.db2.gz ZIDOCDNAWWWLFD-GFCCVEGCSA-N 1 2 235.287 1.142 20 30 BDEDLO Cc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)oc1C ZINC000592152641 385567373 /nfs/dbraw/zinc/56/73/73/385567373.db2.gz ZIDOCDNAWWWLFD-GFCCVEGCSA-N 1 2 235.287 1.142 20 30 BDEDLO Cc1cc(C#N)nc(NCc2[nH+]ccn2C)n1 ZINC000231901458 385865539 /nfs/dbraw/zinc/86/55/39/385865539.db2.gz OUJYXAQUQMRHDT-UHFFFAOYSA-N 1 2 228.259 1.002 20 30 BDEDLO COc1cccc(C[NH2+]C[C@H](C)C#N)n1 ZINC000189431559 385999836 /nfs/dbraw/zinc/99/98/36/385999836.db2.gz OQQMAOAYBFHOIC-SECBINFHSA-N 1 2 205.261 1.339 20 30 BDEDLO C#CC[NH+]1CCN(c2cccs2)CC1 ZINC000121392888 533157342 /nfs/dbraw/zinc/15/73/42/533157342.db2.gz ZPSNWQMONMOOKW-UHFFFAOYSA-N 1 2 206.314 1.503 20 30 BDEDLO Cc1cc(NC[C@@H]2CCCC[C@H]2O)c(C#N)c[nH+]1 ZINC000398948402 386206140 /nfs/dbraw/zinc/20/61/40/386206140.db2.gz APDAAIBFGIQUEP-SMDDNHRTSA-N 1 2 245.326 1.647 20 30 BDEDLO CC#CC[N@@H+]([C@H](C)C(=O)OCC)C1CC1 ZINC000190824647 386314850 /nfs/dbraw/zinc/31/48/50/386314850.db2.gz JBVDFUUMLJIQFD-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO CC#CC[N@H+]([C@H](C)C(=O)OCC)C1CC1 ZINC000190824647 386314857 /nfs/dbraw/zinc/31/48/57/386314857.db2.gz JBVDFUUMLJIQFD-SNVBAGLBSA-N 1 2 209.289 1.426 20 30 BDEDLO C[C@H]([NH2+]CC(F)(F)CO)c1ccc(C#N)cc1 ZINC000184691263 386374377 /nfs/dbraw/zinc/37/43/77/386374377.db2.gz KVYRYCXCSKGXEN-VIFPVBQESA-N 1 2 240.253 1.836 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@H](C)C(C)C)C(=O)OC ZINC000336775187 386384196 /nfs/dbraw/zinc/38/41/96/386384196.db2.gz YHAMYWFASPYHDH-MNOVXSKESA-N 1 2 229.320 1.365 20 30 BDEDLO CCc1ncc(C[NH2+][C@H](CC)CC#N)cn1 ZINC000414428682 386420301 /nfs/dbraw/zinc/42/03/01/386420301.db2.gz GYEKRFJNQLNTSV-LLVKDONJSA-N 1 2 218.304 1.821 20 30 BDEDLO CCc1ncc(C[NH2+][C@@H](CC)CC#N)cn1 ZINC000414428685 386420694 /nfs/dbraw/zinc/42/06/94/386420694.db2.gz GYEKRFJNQLNTSV-NSHDSACASA-N 1 2 218.304 1.821 20 30 BDEDLO CC#CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000277829851 386470146 /nfs/dbraw/zinc/47/01/46/386470146.db2.gz XMDPFKVBBVRDLS-JTQLQIEISA-N 1 2 217.272 1.487 20 30 BDEDLO Cc1cc(N[C@H]2CCC[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000399001948 386504221 /nfs/dbraw/zinc/50/42/21/386504221.db2.gz UAZRJHUVKXFJNX-AAEUAGOBSA-N 1 2 245.326 1.647 20 30 BDEDLO Cc1cc(NCCC[C@H](C)CO)c(C#N)c[nH+]1 ZINC000398998760 386505102 /nfs/dbraw/zinc/50/51/02/386505102.db2.gz RLSQDDCVFUKCQU-JTQLQIEISA-N 1 2 233.315 1.504 20 30 BDEDLO Cc1nc(N2CCC(F)(C#N)CC2)cc[nH+]1 ZINC000343232723 386517365 /nfs/dbraw/zinc/51/73/65/386517365.db2.gz FUIKSRJGTOYJJB-UHFFFAOYSA-N 1 2 220.251 1.617 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000408420927 386566610 /nfs/dbraw/zinc/56/66/10/386566610.db2.gz BRENAIPJZHVZEC-GHMZBOCLSA-N 1 2 246.314 1.064 20 30 BDEDLO CC[C@@H]1C[C@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328615040 386599898 /nfs/dbraw/zinc/59/98/98/386599898.db2.gz RNDQUAOLRCZABV-OUAUKWLOSA-N 1 2 248.330 1.500 20 30 BDEDLO CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000328615040 386599905 /nfs/dbraw/zinc/59/99/05/386599905.db2.gz RNDQUAOLRCZABV-OUAUKWLOSA-N 1 2 248.330 1.500 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cncs1 ZINC000328933312 386654872 /nfs/dbraw/zinc/65/48/72/386654872.db2.gz PPVGNULSCYSASC-SSDOTTSWSA-N 1 2 248.311 1.728 20 30 BDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cncs1 ZINC000328933312 386654877 /nfs/dbraw/zinc/65/48/77/386654877.db2.gz PPVGNULSCYSASC-SSDOTTSWSA-N 1 2 248.311 1.728 20 30 BDEDLO Cc1cnc(C[NH+]2CCC(C#N)CC2)nc1 ZINC000340674955 386660569 /nfs/dbraw/zinc/66/05/69/386660569.db2.gz NFMIHHVOUJLCAZ-UHFFFAOYSA-N 1 2 216.288 1.521 20 30 BDEDLO COCC#CC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000645024277 386675833 /nfs/dbraw/zinc/67/58/33/386675833.db2.gz MFIOVROAXIVJDH-ZDUSSCGKSA-N 1 2 249.314 1.243 20 30 BDEDLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H]1CCCO1 ZINC000330473207 386728419 /nfs/dbraw/zinc/72/84/19/386728419.db2.gz FZYJTAUAUFGTJD-GXSJLCMTSA-N 1 2 237.303 1.980 20 30 BDEDLO C=CCOCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442826270 386729696 /nfs/dbraw/zinc/72/96/96/386729696.db2.gz WVKGYXATJRUEOW-SECBINFHSA-N 1 2 223.276 1.180 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330516375 386747699 /nfs/dbraw/zinc/74/76/99/386747699.db2.gz FGGYKIKMGLATRH-NSHDSACASA-N 1 2 246.314 1.208 20 30 BDEDLO CCn1cc(CNc2cc(C)[nH+]cc2C#N)cn1 ZINC000399370990 386757605 /nfs/dbraw/zinc/75/76/05/386757605.db2.gz DRYXBJCYFNDNIW-UHFFFAOYSA-N 1 2 241.298 1.512 20 30 BDEDLO C=C[C@@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000336668114 386789109 /nfs/dbraw/zinc/78/91/09/386789109.db2.gz ZQYYDXVOPIBQKQ-LURJTMIESA-N 1 2 218.709 1.433 20 30 BDEDLO CC(C)n1c[nH+]cc1CN1CCO[C@@H](C#N)C1 ZINC000425341372 386841648 /nfs/dbraw/zinc/84/16/48/386841648.db2.gz XCWYOIBJNMWPRL-LBPRGKRZSA-N 1 2 234.303 1.188 20 30 BDEDLO Cc1cc(N[C@@H](C)C[C@H](C)O)c(C#N)c[nH+]1 ZINC000399153086 387003174 /nfs/dbraw/zinc/00/31/74/387003174.db2.gz CCUSDFAEKSLLIB-UWVGGRQHSA-N 1 2 219.288 1.255 20 30 BDEDLO CCOC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000088442283 387155571 /nfs/dbraw/zinc/15/55/71/387155571.db2.gz FZEGNOFVZHVNBC-UHFFFAOYSA-N 1 2 232.283 1.553 20 30 BDEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000088442283 387155573 /nfs/dbraw/zinc/15/55/73/387155573.db2.gz FZEGNOFVZHVNBC-UHFFFAOYSA-N 1 2 232.283 1.553 20 30 BDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccoc2)nn1 ZINC000571873488 387183662 /nfs/dbraw/zinc/18/36/62/387183662.db2.gz IGSMODBAQSWCBL-SNVBAGLBSA-N 1 2 232.287 1.908 20 30 BDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514717357 387277306 /nfs/dbraw/zinc/27/73/06/387277306.db2.gz MEZKHBSPYXIEKN-RNCFNFMXSA-N 1 2 240.266 1.823 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000643499164 387279841 /nfs/dbraw/zinc/27/98/41/387279841.db2.gz COSRXKIAKXKQDI-CPCISQLKSA-N 1 2 240.253 1.655 20 30 BDEDLO C[C@@H](CNc1cnccc1C#N)[NH+]1CCOCC1 ZINC000269969644 387295517 /nfs/dbraw/zinc/29/55/17/387295517.db2.gz NXRWBURPTGCSCN-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000572393549 387383953 /nfs/dbraw/zinc/38/39/53/387383953.db2.gz OOISUNAUZPYEKJ-PWSUYJOCSA-N 1 2 243.314 1.300 20 30 BDEDLO Cn1cc(C[N@@H+]2CCOCC2(C)C)cc1C#N ZINC000191268057 387364976 /nfs/dbraw/zinc/36/49/76/387364976.db2.gz VVDQZGWCPCITJY-UHFFFAOYSA-N 1 2 233.315 1.508 20 30 BDEDLO Cn1cc(C[N@H+]2CCOCC2(C)C)cc1C#N ZINC000191268057 387364979 /nfs/dbraw/zinc/36/49/79/387364979.db2.gz VVDQZGWCPCITJY-UHFFFAOYSA-N 1 2 233.315 1.508 20 30 BDEDLO C#CC[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000315232973 387348400 /nfs/dbraw/zinc/34/84/00/387348400.db2.gz WRYYCSJWFOUTSB-SSDOTTSWSA-N 1 2 224.285 1.214 20 30 BDEDLO C=CC[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000265369602 387393724 /nfs/dbraw/zinc/39/37/24/387393724.db2.gz XLMAQQMJWJVFCB-SECBINFHSA-N 1 2 222.292 1.184 20 30 BDEDLO C=CC[C@@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000265450897 387397670 /nfs/dbraw/zinc/39/76/70/387397670.db2.gz SILXFRGJVRGCNC-LLVKDONJSA-N 1 2 248.330 1.757 20 30 BDEDLO CC#CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000266021657 387401431 /nfs/dbraw/zinc/40/14/31/387401431.db2.gz QAGHEURXGFKTEP-UHFFFAOYSA-N 1 2 240.310 1.099 20 30 BDEDLO C#CC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000266009698 387401966 /nfs/dbraw/zinc/40/19/66/387401966.db2.gz RHMQHKASVQBOGL-ZDUSSCGKSA-N 1 2 229.327 1.393 20 30 BDEDLO C=C1CC[NH+]([C@H](C)C(=O)OCCC)CC1 ZINC000266008552 387402378 /nfs/dbraw/zinc/40/23/78/387402378.db2.gz QVSZJIIOXXMEEV-LLVKDONJSA-N 1 2 211.305 1.980 20 30 BDEDLO CCOC(=O)CCCC[NH+]1CC(C)(C#N)C1 ZINC000516385123 387504435 /nfs/dbraw/zinc/50/44/35/387504435.db2.gz BLCSQZALRJWYLV-UHFFFAOYSA-N 1 2 224.304 1.565 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276166949 387519813 /nfs/dbraw/zinc/51/98/13/387519813.db2.gz QPYHCSGJGORXFK-WCQYABFASA-N 1 2 235.331 1.990 20 30 BDEDLO Cc1noc(CCNc2cc(C)[nH+]cc2C#N)n1 ZINC000399489783 387741782 /nfs/dbraw/zinc/74/17/82/387741782.db2.gz HNDPYWTXEFYMPZ-UHFFFAOYSA-N 1 2 243.270 1.030 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000157243827 387776329 /nfs/dbraw/zinc/77/63/29/387776329.db2.gz TXYMDXRZEQRISG-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000157243827 387776339 /nfs/dbraw/zinc/77/63/39/387776339.db2.gz TXYMDXRZEQRISG-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=C[C@@](C)(O)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333483 387804679 /nfs/dbraw/zinc/80/46/79/387804679.db2.gz JIGIJIPDPZPACX-CYBMUJFWSA-N 1 2 249.314 1.485 20 30 BDEDLO C=CCn1cc(C[NH2+]Cc2c(C)noc2C)nn1 ZINC000424171083 387863104 /nfs/dbraw/zinc/86/31/04/387863104.db2.gz LFNFXNDSEFFXCI-UHFFFAOYSA-N 1 2 247.302 1.359 20 30 BDEDLO C=C(C)CNc1[nH+]cnc2c1cnn2C ZINC000153418769 387890556 /nfs/dbraw/zinc/89/05/56/387890556.db2.gz BNUUDPBXGWLANC-UHFFFAOYSA-N 1 2 203.249 1.351 20 30 BDEDLO C=C(C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000452715084 387895118 /nfs/dbraw/zinc/89/51/18/387895118.db2.gz CACKLHRYDAKXOA-UHFFFAOYSA-N 1 2 240.347 1.180 20 30 BDEDLO CC[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH]cc[nH+]1 ZINC000354147238 387931460 /nfs/dbraw/zinc/93/14/60/387931460.db2.gz SGZAUYXKZCTCMF-SNVBAGLBSA-N 1 2 243.270 1.491 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000243757238 387941484 /nfs/dbraw/zinc/94/14/84/387941484.db2.gz PZSAKQIFIMNCCJ-UHFFFAOYSA-N 1 2 225.336 1.298 20 30 BDEDLO Cn1c[nH+]cc1CNc1ccccc1C#N ZINC000085167702 388084725 /nfs/dbraw/zinc/08/47/25/388084725.db2.gz DVXPSFDVQJFATC-UHFFFAOYSA-N 1 2 212.256 1.904 20 30 BDEDLO CC#CCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646257882 388171694 /nfs/dbraw/zinc/17/16/94/388171694.db2.gz OXEQOGOYNAIHES-UHFFFAOYSA-N 1 2 231.299 1.488 20 30 BDEDLO CC#CCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646257882 388171697 /nfs/dbraw/zinc/17/16/97/388171697.db2.gz OXEQOGOYNAIHES-UHFFFAOYSA-N 1 2 231.299 1.488 20 30 BDEDLO N#Cc1ccccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000590601054 388126866 /nfs/dbraw/zinc/12/68/66/388126866.db2.gz PNROMUQYBOPUHC-UHFFFAOYSA-N 1 2 238.294 1.840 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(CC)[nH]1 ZINC000489435303 388213535 /nfs/dbraw/zinc/21/35/35/388213535.db2.gz UAKIXRMPHAFCEV-JTQLQIEISA-N 1 2 220.320 1.908 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(CC)[nH]1 ZINC000489435303 388213536 /nfs/dbraw/zinc/21/35/36/388213536.db2.gz UAKIXRMPHAFCEV-JTQLQIEISA-N 1 2 220.320 1.908 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000489494145 388218837 /nfs/dbraw/zinc/21/88/37/388218837.db2.gz UWUGMTMHWKTDNI-MRVPVSSYSA-N 1 2 208.265 1.051 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000489494145 388218838 /nfs/dbraw/zinc/21/88/38/388218838.db2.gz UWUGMTMHWKTDNI-MRVPVSSYSA-N 1 2 208.265 1.051 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccccc1F ZINC000490687414 388247470 /nfs/dbraw/zinc/24/74/70/388247470.db2.gz BLDDOACUBWWEDG-OAHLLOKOSA-N 1 2 245.297 1.818 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccccc1F ZINC000490687414 388247471 /nfs/dbraw/zinc/24/74/71/388247471.db2.gz BLDDOACUBWWEDG-OAHLLOKOSA-N 1 2 245.297 1.818 20 30 BDEDLO C#C[C@H](CCC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000491287318 388282556 /nfs/dbraw/zinc/28/25/56/388282556.db2.gz LQPUWKUCIXWBCU-IDVQTMNDSA-N 1 2 245.326 1.834 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491294947 388283386 /nfs/dbraw/zinc/28/33/86/388283386.db2.gz FDXLNJPDKXBARP-SECBINFHSA-N 1 2 245.248 1.899 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491294947 388283388 /nfs/dbraw/zinc/28/33/88/388283388.db2.gz FDXLNJPDKXBARP-SECBINFHSA-N 1 2 245.248 1.899 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CCCC)C(=O)OC ZINC000451608604 388283718 /nfs/dbraw/zinc/28/37/18/388283718.db2.gz SQIMDAKZCNCLLO-UTUOFQBUSA-N 1 2 241.331 1.651 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC(C)C)C(=O)OC ZINC000451613816 388284367 /nfs/dbraw/zinc/28/43/67/388284367.db2.gz OMMDYBNFMNRVQD-UTUOFQBUSA-N 1 2 241.331 1.507 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOCC1CCC1 ZINC000491381468 388290596 /nfs/dbraw/zinc/29/05/96/388290596.db2.gz FKJZQIZGJYBHPM-ZDUSSCGKSA-N 1 2 223.316 1.137 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOCC1CCC1 ZINC000491381468 388290597 /nfs/dbraw/zinc/29/05/97/388290597.db2.gz FKJZQIZGJYBHPM-ZDUSSCGKSA-N 1 2 223.316 1.137 20 30 BDEDLO C#CC[N@H+](CC#CC)CCc1cscn1 ZINC000491394943 388291879 /nfs/dbraw/zinc/29/18/79/388291879.db2.gz OWJYRNIQCMXYBU-UHFFFAOYSA-N 1 2 218.325 1.644 20 30 BDEDLO C#CC[N@@H+](CC#CC)CCc1cscn1 ZINC000491394943 388291880 /nfs/dbraw/zinc/29/18/80/388291880.db2.gz OWJYRNIQCMXYBU-UHFFFAOYSA-N 1 2 218.325 1.644 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000491414326 388292947 /nfs/dbraw/zinc/29/29/47/388292947.db2.gz BZKVSNLTKRQLKG-CMPLNLGQSA-N 1 2 247.342 1.752 20 30 BDEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000491414326 388292949 /nfs/dbraw/zinc/29/29/49/388292949.db2.gz BZKVSNLTKRQLKG-CMPLNLGQSA-N 1 2 247.342 1.752 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000491465709 388296919 /nfs/dbraw/zinc/29/69/19/388296919.db2.gz XJODIHJJXFHBGI-VIFPVBQESA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000491465709 388296922 /nfs/dbraw/zinc/29/69/22/388296922.db2.gz XJODIHJJXFHBGI-VIFPVBQESA-N 1 2 231.255 1.783 20 30 BDEDLO C#CC[N@@H+](CC#CC)[C@H]1CCCN(C(C)C)C1=O ZINC000491483607 388297498 /nfs/dbraw/zinc/29/74/98/388297498.db2.gz CQJDJTFLYBERNH-AWEZNQCLSA-N 1 2 246.354 1.344 20 30 BDEDLO C#CC[N@H+](CC#CC)[C@H]1CCCN(C(C)C)C1=O ZINC000491483607 388297499 /nfs/dbraw/zinc/29/74/99/388297499.db2.gz CQJDJTFLYBERNH-AWEZNQCLSA-N 1 2 246.354 1.344 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000491555697 388303713 /nfs/dbraw/zinc/30/37/13/388303713.db2.gz SRPVBOJTSDZMFG-UHFFFAOYSA-N 1 2 205.305 1.772 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000491555697 388303714 /nfs/dbraw/zinc/30/37/14/388303714.db2.gz SRPVBOJTSDZMFG-UHFFFAOYSA-N 1 2 205.305 1.772 20 30 BDEDLO C#CC[NH+](CC#C)[C@@H](C)c1cnc(C)cn1 ZINC000491619536 388304756 /nfs/dbraw/zinc/30/47/56/388304756.db2.gz FIQGVQWCSOSBCZ-LBPRGKRZSA-N 1 2 213.284 1.414 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000491644064 388307631 /nfs/dbraw/zinc/30/76/31/388307631.db2.gz INCRDHGHDCDEAF-KGLIPLIRSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000491644064 388307632 /nfs/dbraw/zinc/30/76/32/388307632.db2.gz INCRDHGHDCDEAF-KGLIPLIRSA-N 1 2 237.343 1.262 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000491699754 388312318 /nfs/dbraw/zinc/31/23/18/388312318.db2.gz SDAXISUAXQARMH-CABCVRRESA-N 1 2 245.322 1.444 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000491699754 388312319 /nfs/dbraw/zinc/31/23/19/388312319.db2.gz SDAXISUAXQARMH-CABCVRRESA-N 1 2 245.322 1.444 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000491710784 388313850 /nfs/dbraw/zinc/31/38/50/388313850.db2.gz YZWSTDRGSKSNTJ-VIFPVBQESA-N 1 2 248.257 1.645 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000491710784 388313851 /nfs/dbraw/zinc/31/38/51/388313851.db2.gz YZWSTDRGSKSNTJ-VIFPVBQESA-N 1 2 248.257 1.645 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000491725854 388314990 /nfs/dbraw/zinc/31/49/90/388314990.db2.gz FHVCAKNVBYHFEE-GFCCVEGCSA-N 1 2 242.322 1.449 20 30 BDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000491725854 388314991 /nfs/dbraw/zinc/31/49/91/388314991.db2.gz FHVCAKNVBYHFEE-GFCCVEGCSA-N 1 2 242.322 1.449 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000491735595 388316179 /nfs/dbraw/zinc/31/61/79/388316179.db2.gz OVKFXOSJGAWFBP-BDAKNGLRSA-N 1 2 224.329 1.650 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000491735595 388316180 /nfs/dbraw/zinc/31/61/80/388316180.db2.gz OVKFXOSJGAWFBP-BDAKNGLRSA-N 1 2 224.329 1.650 20 30 BDEDLO C#C[C@@H](CC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491747353 388317249 /nfs/dbraw/zinc/31/72/49/388317249.db2.gz QDQYHMMUMIQVEK-ZDUSSCGKSA-N 1 2 245.326 1.909 20 30 BDEDLO C#C[C@H](CCC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000491750065 388317613 /nfs/dbraw/zinc/31/76/13/388317613.db2.gz UHQIWEFVNIPYHA-GFCCVEGCSA-N 1 2 241.294 1.866 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nnn1CC ZINC000491752084 388317778 /nfs/dbraw/zinc/31/77/78/388317778.db2.gz VOSWYKWPJFXGFS-SECBINFHSA-N 1 2 206.293 1.060 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1c(C)nnn1CC ZINC000491752084 388317779 /nfs/dbraw/zinc/31/77/79/388317779.db2.gz VOSWYKWPJFXGFS-SECBINFHSA-N 1 2 206.293 1.060 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000491771057 388318951 /nfs/dbraw/zinc/31/89/51/388318951.db2.gz NTNHMYNAONKOOS-MRVPVSSYSA-N 1 2 206.245 1.331 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000491771057 388318952 /nfs/dbraw/zinc/31/89/52/388318952.db2.gz NTNHMYNAONKOOS-MRVPVSSYSA-N 1 2 206.245 1.331 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1occc1C(=O)OC ZINC000491769245 388319091 /nfs/dbraw/zinc/31/90/91/388319091.db2.gz KFFVONNUXCZOTL-SECBINFHSA-N 1 2 221.256 1.520 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1occc1C(=O)OC ZINC000491769245 388319092 /nfs/dbraw/zinc/31/90/92/388319092.db2.gz KFFVONNUXCZOTL-SECBINFHSA-N 1 2 221.256 1.520 20 30 BDEDLO C#CC[N@@H+](CC(=O)OCC(C)C)C1CC1 ZINC000491772605 388319378 /nfs/dbraw/zinc/31/93/78/388319378.db2.gz TZTSXIIRTGMCKI-UHFFFAOYSA-N 1 2 209.289 1.283 20 30 BDEDLO C#CC[N@H+](CC(=O)OCC(C)C)C1CC1 ZINC000491772605 388319379 /nfs/dbraw/zinc/31/93/79/388319379.db2.gz TZTSXIIRTGMCKI-UHFFFAOYSA-N 1 2 209.289 1.283 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000491775560 388319539 /nfs/dbraw/zinc/31/95/39/388319539.db2.gz VCIMLYLZFLYQPT-VIFPVBQESA-N 1 2 207.277 1.647 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000491775560 388319540 /nfs/dbraw/zinc/31/95/40/388319540.db2.gz VCIMLYLZFLYQPT-VIFPVBQESA-N 1 2 207.277 1.647 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491788632 388321159 /nfs/dbraw/zinc/32/11/59/388321159.db2.gz XQLFUJSUVROPOQ-UHFFFAOYSA-N 1 2 249.339 1.135 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491788632 388321160 /nfs/dbraw/zinc/32/11/60/388321160.db2.gz XQLFUJSUVROPOQ-UHFFFAOYSA-N 1 2 249.339 1.135 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000491804209 388321931 /nfs/dbraw/zinc/32/19/31/388321931.db2.gz KVAWXCBVGGQTPU-UHFFFAOYSA-N 1 2 236.359 1.731 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000491804209 388321932 /nfs/dbraw/zinc/32/19/32/388321932.db2.gz KVAWXCBVGGQTPU-UHFFFAOYSA-N 1 2 236.359 1.731 20 30 BDEDLO C=C(Cl)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492323716 388341717 /nfs/dbraw/zinc/34/17/17/388341717.db2.gz VTLQJOGNEJYNAZ-SNAWJCMRSA-N 1 2 239.706 1.785 20 30 BDEDLO C#C[C@H](CC)[NH2+][C@H](CCC)C(=O)OCC ZINC000233295740 388345565 /nfs/dbraw/zinc/34/55/65/388345565.db2.gz FJCDTCNHFFNMLW-GHMZBOCLSA-N 1 2 211.305 1.720 20 30 BDEDLO C[C@@H](CO)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459376304 388354763 /nfs/dbraw/zinc/35/47/63/388354763.db2.gz NZICUIWCNSHYGS-VIFPVBQESA-N 1 2 249.270 1.279 20 30 BDEDLO C[C@@H](CO)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459376304 388354765 /nfs/dbraw/zinc/35/47/65/388354765.db2.gz NZICUIWCNSHYGS-VIFPVBQESA-N 1 2 249.270 1.279 20 30 BDEDLO COc1cccnc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000573111957 388420665 /nfs/dbraw/zinc/42/06/65/388420665.db2.gz XGJOKOVRMSBHKK-LLVKDONJSA-N 1 2 244.298 1.623 20 30 BDEDLO Cc1c[nH+]ccc1CCNc1ccc(C#N)nn1 ZINC000301951920 388617504 /nfs/dbraw/zinc/61/75/04/388617504.db2.gz JFCWSKRQEHQNGM-UHFFFAOYSA-N 1 2 239.282 1.706 20 30 BDEDLO Cn1nccc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000355277040 388602608 /nfs/dbraw/zinc/60/26/08/388602608.db2.gz CEECWIOSEHONGH-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO Cn1nccc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000355277040 388602611 /nfs/dbraw/zinc/60/26/11/388602611.db2.gz CEECWIOSEHONGH-UHFFFAOYSA-N 1 2 246.339 1.985 20 30 BDEDLO C[N@H+](CCn1cccn1)Cc1nc(C#N)cs1 ZINC000356212486 388606467 /nfs/dbraw/zinc/60/64/67/388606467.db2.gz FTQRFSWVQXPUSP-UHFFFAOYSA-N 1 2 247.327 1.343 20 30 BDEDLO C[N@@H+](CCn1cccn1)Cc1nc(C#N)cs1 ZINC000356212486 388606469 /nfs/dbraw/zinc/60/64/69/388606469.db2.gz FTQRFSWVQXPUSP-UHFFFAOYSA-N 1 2 247.327 1.343 20 30 BDEDLO C[C@@H](CNc1ncccc1C#N)[NH+]1CCOCC1 ZINC000298323069 388607299 /nfs/dbraw/zinc/60/72/99/388607299.db2.gz TWUIPLMDLFPFSF-NSHDSACASA-N 1 2 246.314 1.086 20 30 BDEDLO N#Cc1cnc(NCCn2cc[nH+]c2)c(Cl)c1 ZINC000301297000 388611242 /nfs/dbraw/zinc/61/12/42/388611242.db2.gz SOAIRNAXLUTOJM-UHFFFAOYSA-N 1 2 247.689 1.915 20 30 BDEDLO C=CC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128097912 388737261 /nfs/dbraw/zinc/73/72/61/388737261.db2.gz UYCBCGRBOMVOOV-SECBINFHSA-N 1 2 222.254 1.741 20 30 BDEDLO C=CC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128097912 388737262 /nfs/dbraw/zinc/73/72/62/388737262.db2.gz UYCBCGRBOMVOOV-SECBINFHSA-N 1 2 222.254 1.741 20 30 BDEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(CO)o1)C1CC1 ZINC000538763784 388721682 /nfs/dbraw/zinc/72/16/82/388721682.db2.gz UZNOOZYFWQZMRN-JTQLQIEISA-N 1 2 234.299 1.896 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(CO)o1)C1CC1 ZINC000538763784 388721686 /nfs/dbraw/zinc/72/16/86/388721686.db2.gz UZNOOZYFWQZMRN-JTQLQIEISA-N 1 2 234.299 1.896 20 30 BDEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ncn(C)n1 ZINC000391954305 388787167 /nfs/dbraw/zinc/78/71/67/388787167.db2.gz VLYDUKSLZFMIRD-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CCN1CC[C@@H]([NH+]2CC(C(F)(F)F)C2)C1=O ZINC000556218928 388870469 /nfs/dbraw/zinc/87/04/69/388870469.db2.gz WKYHDKFPZMGSHQ-SECBINFHSA-N 1 2 248.248 1.267 20 30 BDEDLO CCCC[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565050635 388910868 /nfs/dbraw/zinc/91/08/68/388910868.db2.gz HLZRYKJMFXKOON-DGCLKSJQSA-N 1 2 239.363 1.773 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565049018 388911034 /nfs/dbraw/zinc/91/10/34/388911034.db2.gz XRKBEAJMNOWAJE-WDEREUQCSA-N 1 2 234.303 1.499 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C1CC1 ZINC000565180939 388923095 /nfs/dbraw/zinc/92/30/95/388923095.db2.gz KHKSZXZXDPZKIY-KWQFWETISA-N 1 2 232.287 1.007 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C1CC1 ZINC000565180939 388923097 /nfs/dbraw/zinc/92/30/97/388923097.db2.gz KHKSZXZXDPZKIY-KWQFWETISA-N 1 2 232.287 1.007 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565182462 388923213 /nfs/dbraw/zinc/92/32/13/388923213.db2.gz PUPBONZGIBQKPY-BXKDBHETSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565182462 388923210 /nfs/dbraw/zinc/92/32/10/388923210.db2.gz PUPBONZGIBQKPY-BXKDBHETSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565182466 388923544 /nfs/dbraw/zinc/92/35/44/388923544.db2.gz PUPBONZGIBQKPY-JOYOIKCWSA-N 1 2 234.303 1.397 20 30 BDEDLO CC[C@](C)(C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565182466 388923542 /nfs/dbraw/zinc/92/35/42/388923542.db2.gz PUPBONZGIBQKPY-JOYOIKCWSA-N 1 2 234.303 1.397 20 30 BDEDLO C[C@H](CCC#N)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000565483775 388948100 /nfs/dbraw/zinc/94/81/00/388948100.db2.gz OUUILGBNCFFGCH-MNOVXSKESA-N 1 2 244.360 1.188 20 30 BDEDLO C[C@H](CCC#N)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000565483775 388948102 /nfs/dbraw/zinc/94/81/02/388948102.db2.gz OUUILGBNCFFGCH-MNOVXSKESA-N 1 2 244.360 1.188 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)OC(C)(C)C ZINC000267372889 388999614 /nfs/dbraw/zinc/99/96/14/388999614.db2.gz YSDYQFJGIXMOSD-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)OC(C)(C)C ZINC000267372889 388999611 /nfs/dbraw/zinc/99/96/11/388999611.db2.gz YSDYQFJGIXMOSD-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO C#C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000373448331 533289312 /nfs/dbraw/zinc/28/93/12/533289312.db2.gz KWBCPOVXJDIINJ-JTQLQIEISA-N 1 2 248.351 1.244 20 30 BDEDLO C#C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000373448331 533289317 /nfs/dbraw/zinc/28/93/17/533289317.db2.gz KWBCPOVXJDIINJ-JTQLQIEISA-N 1 2 248.351 1.244 20 30 BDEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC000181276717 533494264 /nfs/dbraw/zinc/49/42/64/533494264.db2.gz SJMUJWXGHSKLQH-UHFFFAOYSA-N 1 2 223.276 1.429 20 30 BDEDLO C=C(C)C[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC000181276717 533494266 /nfs/dbraw/zinc/49/42/66/533494266.db2.gz SJMUJWXGHSKLQH-UHFFFAOYSA-N 1 2 223.276 1.429 20 30 BDEDLO Cc1cn2c([nH+]1)CN(c1ccc(C#N)cn1)CC2 ZINC000371705490 132285307 /nfs/dbraw/zinc/28/53/07/132285307.db2.gz DDTPVAIHNOFBNR-UHFFFAOYSA-N 1 2 239.282 1.478 20 30 BDEDLO CC#CCN1CCN(C)c2[nH+]cccc21 ZINC000272227907 132305553 /nfs/dbraw/zinc/30/55/53/132305553.db2.gz HCSRMEPXJFHZQN-UHFFFAOYSA-N 1 2 201.273 1.361 20 30 BDEDLO C[C@H]([NH2+]CC#N)C1CCN(CC(F)(F)F)CC1 ZINC000340218667 133565271 /nfs/dbraw/zinc/56/52/71/133565271.db2.gz QAMQWDPFCJZTKI-VIFPVBQESA-N 1 2 249.280 1.762 20 30 BDEDLO Cc1ocnc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330305506 134001130 /nfs/dbraw/zinc/00/11/30/134001130.db2.gz KWXMXWHBKZXFNK-SECBINFHSA-N 1 2 246.270 1.499 20 30 BDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC1(C#N)CC1 ZINC000331773289 134001940 /nfs/dbraw/zinc/00/19/40/134001940.db2.gz QOOLBNGJDASBJG-JTQLQIEISA-N 1 2 237.347 1.525 20 30 BDEDLO CC#CCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000332373942 134004613 /nfs/dbraw/zinc/00/46/13/134004613.db2.gz DOTXKSXBZFCYRI-NEPJUHHUSA-N 1 2 248.330 1.288 20 30 BDEDLO CC#CCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000332373942 134004614 /nfs/dbraw/zinc/00/46/14/134004614.db2.gz DOTXKSXBZFCYRI-NEPJUHHUSA-N 1 2 248.330 1.288 20 30 BDEDLO Cn1c[nH+]cc1CNC(=O)c1sccc1C#N ZINC000336014728 134052517 /nfs/dbraw/zinc/05/25/17/134052517.db2.gz LWARLNUMGYYUIG-UHFFFAOYSA-N 1 2 246.295 1.283 20 30 BDEDLO COCCn1cc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000352097710 134064810 /nfs/dbraw/zinc/06/48/10/134064810.db2.gz VSSREOPLUGOTOO-LLVKDONJSA-N 1 2 236.319 1.121 20 30 BDEDLO COCCn1cc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000352097710 134064811 /nfs/dbraw/zinc/06/48/11/134064811.db2.gz VSSREOPLUGOTOO-LLVKDONJSA-N 1 2 236.319 1.121 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000336088345 134077620 /nfs/dbraw/zinc/07/76/20/134077620.db2.gz JJKMLTLTJZRWLF-ZDUSSCGKSA-N 1 2 232.283 1.762 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000336088345 134077621 /nfs/dbraw/zinc/07/76/21/134077621.db2.gz JJKMLTLTJZRWLF-ZDUSSCGKSA-N 1 2 232.283 1.762 20 30 BDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C)n1C ZINC000336092493 134079056 /nfs/dbraw/zinc/07/90/56/134079056.db2.gz DGAVMNAZAAHXNP-LLVKDONJSA-N 1 2 220.320 1.664 20 30 BDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C)n1C ZINC000336092493 134079057 /nfs/dbraw/zinc/07/90/57/134079057.db2.gz DGAVMNAZAAHXNP-LLVKDONJSA-N 1 2 220.320 1.664 20 30 BDEDLO C=Cn1cc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354017117 134166199 /nfs/dbraw/zinc/16/61/99/134166199.db2.gz HCMJALDKSMLGCY-UHFFFAOYSA-N 1 2 218.304 1.965 20 30 BDEDLO C=Cn1cc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354017117 134166200 /nfs/dbraw/zinc/16/62/00/134166200.db2.gz HCMJALDKSMLGCY-UHFFFAOYSA-N 1 2 218.304 1.965 20 30 BDEDLO COC(=O)c1cc(C[N@H+](C)CC(C)(C)C#N)c[nH]1 ZINC000354019400 134166357 /nfs/dbraw/zinc/16/63/57/134166357.db2.gz YBUODNRVJZVWFY-UHFFFAOYSA-N 1 2 249.314 1.783 20 30 BDEDLO COC(=O)c1cc(C[N@@H+](C)CC(C)(C)C#N)c[nH]1 ZINC000354019400 134166358 /nfs/dbraw/zinc/16/63/58/134166358.db2.gz YBUODNRVJZVWFY-UHFFFAOYSA-N 1 2 249.314 1.783 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357786719 134185143 /nfs/dbraw/zinc/18/51/43/134185143.db2.gz BMLDVUAPXAYVMU-ZJUUUORDSA-N 1 2 248.330 1.531 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357786719 134185144 /nfs/dbraw/zinc/18/51/44/134185144.db2.gz BMLDVUAPXAYVMU-ZJUUUORDSA-N 1 2 248.330 1.531 20 30 BDEDLO C=CCOCCCn1ncc2c1nc[nH+]c2NC ZINC000358578284 134190439 /nfs/dbraw/zinc/19/04/39/134190439.db2.gz IVPOGIOTWBWPLF-UHFFFAOYSA-N 1 2 247.302 1.461 20 30 BDEDLO Cc1cc[nH+]c(C)c1NC(=O)CSCC#N ZINC000362399293 134210853 /nfs/dbraw/zinc/21/08/53/134210853.db2.gz ZTBGZZJPSVZFMJ-UHFFFAOYSA-N 1 2 235.312 1.894 20 30 BDEDLO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC#N)n1 ZINC000368687448 134220294 /nfs/dbraw/zinc/22/02/94/134220294.db2.gz CACFIKSWNMJXQY-LBPRGKRZSA-N 1 2 233.319 1.273 20 30 BDEDLO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCC#N)n1 ZINC000368687448 134220295 /nfs/dbraw/zinc/22/02/95/134220295.db2.gz CACFIKSWNMJXQY-LBPRGKRZSA-N 1 2 233.319 1.273 20 30 BDEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368880997 134220495 /nfs/dbraw/zinc/22/04/95/134220495.db2.gz WKYMZBRAXZHMQC-WDEREUQCSA-N 1 2 246.314 1.206 20 30 BDEDLO N#CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368994039 134221243 /nfs/dbraw/zinc/22/12/43/134221243.db2.gz XHWYCPKSBSFRKB-MXWKQRLJSA-N 1 2 221.304 1.018 20 30 BDEDLO N#CCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368994039 134221244 /nfs/dbraw/zinc/22/12/44/134221244.db2.gz XHWYCPKSBSFRKB-MXWKQRLJSA-N 1 2 221.304 1.018 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(C2CC2)C1=O 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ZINC000375958297 134241303 /nfs/dbraw/zinc/24/13/03/134241303.db2.gz BXSYOPGXFYECPB-CYBMUJFWSA-N 1 2 234.274 1.633 20 30 BDEDLO N#CCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375958297 134241304 /nfs/dbraw/zinc/24/13/04/134241304.db2.gz BXSYOPGXFYECPB-CYBMUJFWSA-N 1 2 234.274 1.633 20 30 BDEDLO Cc1cc([C@@H]2CCC[N@H+](CCC#N)C2)[nH]n1 ZINC000377845304 134245168 /nfs/dbraw/zinc/24/51/68/134245168.db2.gz QHIWNAMNLMTKKJ-LLVKDONJSA-N 1 2 218.304 1.811 20 30 BDEDLO Cc1cc([C@@H]2CCC[N@@H+](CCC#N)C2)[nH]n1 ZINC000377845304 134245169 /nfs/dbraw/zinc/24/51/69/134245169.db2.gz QHIWNAMNLMTKKJ-LLVKDONJSA-N 1 2 218.304 1.811 20 30 BDEDLO Cc1cc([C@@H]2CCC[N@H+](CCC#N)C2)n[nH]1 ZINC000377845304 134245170 /nfs/dbraw/zinc/24/51/70/134245170.db2.gz QHIWNAMNLMTKKJ-LLVKDONJSA-N 1 2 218.304 1.811 20 30 BDEDLO Cc1cc([C@@H]2CCC[N@@H+](CCC#N)C2)n[nH]1 ZINC000377845304 134245171 /nfs/dbraw/zinc/24/51/71/134245171.db2.gz QHIWNAMNLMTKKJ-LLVKDONJSA-N 1 2 218.304 1.811 20 30 BDEDLO CC[C@H](C)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000363425748 134398659 /nfs/dbraw/zinc/39/86/59/134398659.db2.gz GWJWODJZUQGUKZ-WCQYABFASA-N 1 2 221.348 1.705 20 30 BDEDLO CC[C@H](C)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000363425748 134398660 /nfs/dbraw/zinc/39/86/60/134398660.db2.gz GWJWODJZUQGUKZ-WCQYABFASA-N 1 2 221.348 1.705 20 30 BDEDLO CCN(CC[N@@H+]1CCO[C@@H](C)C1)C[C@@H](C)C#N ZINC000249060010 135032256 /nfs/dbraw/zinc/03/22/56/135032256.db2.gz PMSUJROQYFPGJX-STQMWFEESA-N 1 2 239.363 1.189 20 30 BDEDLO CCN(CC[N@H+]1CCO[C@@H](C)C1)C[C@@H](C)C#N ZINC000249060010 135032258 /nfs/dbraw/zinc/03/22/58/135032258.db2.gz PMSUJROQYFPGJX-STQMWFEESA-N 1 2 239.363 1.189 20 30 BDEDLO CC(C)[C@@H](NC(=O)[C@H](C)C#N)c1[nH]cc[nH+]1 ZINC000338883508 135047666 /nfs/dbraw/zinc/04/76/66/135047666.db2.gz PEEBBPOHAFCRCX-RKDXNWHRSA-N 1 2 220.276 1.383 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000339751198 135080279 /nfs/dbraw/zinc/08/02/79/135080279.db2.gz ILZLWEPTXKAJQV-QWHCGFSZSA-N 1 2 236.359 1.636 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000339751198 135080281 /nfs/dbraw/zinc/08/02/81/135080281.db2.gz ILZLWEPTXKAJQV-QWHCGFSZSA-N 1 2 236.359 1.636 20 30 BDEDLO C=CC[N@@H+](CC)[C@H](C)CS(=O)(=O)CC ZINC000113000727 135088305 /nfs/dbraw/zinc/08/83/05/135088305.db2.gz ZDIRRPXPBHWNSX-SNVBAGLBSA-N 1 2 219.350 1.318 20 30 BDEDLO C=CC[N@H+](CC)[C@H](C)CS(=O)(=O)CC ZINC000113000727 135088306 /nfs/dbraw/zinc/08/83/06/135088306.db2.gz ZDIRRPXPBHWNSX-SNVBAGLBSA-N 1 2 219.350 1.318 20 30 BDEDLO C[C@@H](CNC(=O)C(C)(C)C#N)Cn1cc[nH+]c1 ZINC000265796701 135146464 /nfs/dbraw/zinc/14/64/64/135146464.db2.gz VSUJKSLSHGHRNO-JTQLQIEISA-N 1 2 234.303 1.185 20 30 BDEDLO N#CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266909636 135150519 /nfs/dbraw/zinc/15/05/19/135150519.db2.gz INUTUHZJWOONCN-JTQLQIEISA-N 1 2 204.277 1.503 20 30 BDEDLO N#CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266909636 135150521 /nfs/dbraw/zinc/15/05/21/135150521.db2.gz INUTUHZJWOONCN-JTQLQIEISA-N 1 2 204.277 1.503 20 30 BDEDLO CC[N@H+](CCC#N)CCn1cc([N+](=O)[O-])cn1 ZINC000267041409 135150926 /nfs/dbraw/zinc/15/09/26/135150926.db2.gz DHHZZVLDQMOMCO-UHFFFAOYSA-N 1 2 237.263 1.027 20 30 BDEDLO CC[N@@H+](CCC#N)CCn1cc([N+](=O)[O-])cn1 ZINC000267041409 135150928 /nfs/dbraw/zinc/15/09/28/135150928.db2.gz DHHZZVLDQMOMCO-UHFFFAOYSA-N 1 2 237.263 1.027 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)CCc1c[nH+]cn1C ZINC000353208539 135186663 /nfs/dbraw/zinc/18/66/63/135186663.db2.gz UNJPKQWUMXXRAH-UHFFFAOYSA-N 1 2 248.330 1.361 20 30 BDEDLO CCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000299303208 135203470 /nfs/dbraw/zinc/20/34/70/135203470.db2.gz CPJNSQBTVIAXBP-UHFFFAOYSA-N 1 2 248.330 1.729 20 30 BDEDLO C=CCCS(=O)(=O)N(CC)c1cc[nH+]cc1 ZINC000121358622 135222276 /nfs/dbraw/zinc/22/22/76/135222276.db2.gz QCDXFTVLWXMIPR-UHFFFAOYSA-N 1 2 240.328 1.814 20 30 BDEDLO C#CCSCCNC(=O)Nc1cc[nH+]cc1C ZINC000121688540 135224702 /nfs/dbraw/zinc/22/47/02/135224702.db2.gz HNOJYKPDAQUSSA-UHFFFAOYSA-N 1 2 249.339 1.878 20 30 BDEDLO C=CCOCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341721926 135242321 /nfs/dbraw/zinc/24/23/21/135242321.db2.gz UJANPPSBDZNQPT-GFCCVEGCSA-N 1 2 249.314 1.190 20 30 BDEDLO C=CCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341721581 135242564 /nfs/dbraw/zinc/24/25/64/135242564.db2.gz SQXFZZBXEPUWTD-LBPRGKRZSA-N 1 2 233.315 1.954 20 30 BDEDLO Cc1c[nH+]c(CN(C)C[C@@H](C)C#N)n1C ZINC000342796821 135321399 /nfs/dbraw/zinc/32/13/99/135321399.db2.gz ZUMGJKHKPIVZMS-VIFPVBQESA-N 1 2 206.293 1.320 20 30 BDEDLO C=C(C)C[N@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284225241 135371512 /nfs/dbraw/zinc/37/15/12/135371512.db2.gz JZGJBRKKMRRHLP-VIFPVBQESA-N 1 2 221.308 1.110 20 30 BDEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284225241 135371513 /nfs/dbraw/zinc/37/15/13/135371513.db2.gz JZGJBRKKMRRHLP-VIFPVBQESA-N 1 2 221.308 1.110 20 30 BDEDLO C=CCOCC[NH2+][C@](C)(CCC)C(=O)OC ZINC000293072185 135377857 /nfs/dbraw/zinc/37/78/57/135377857.db2.gz LXVLXODOQIQGEB-GFCCVEGCSA-N 1 2 229.320 1.510 20 30 BDEDLO Cc1[nH]c(C(=O)NCC2(C#N)CCC2)c[nH+]1 ZINC000334884748 135848774 /nfs/dbraw/zinc/84/87/74/135848774.db2.gz GNKSVAZWFAUQDJ-UHFFFAOYSA-N 1 2 218.260 1.142 20 30 BDEDLO C[C@H]1OCC[C@@]12C[N@H+](CC1(C#N)CC1)CCO2 ZINC000348225681 136048105 /nfs/dbraw/zinc/04/81/05/136048105.db2.gz HGZPOXVYTZYYHO-DGCLKSJQSA-N 1 2 236.315 1.170 20 30 BDEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC1(C#N)CC1)CCO2 ZINC000348225681 136048106 /nfs/dbraw/zinc/04/81/06/136048106.db2.gz HGZPOXVYTZYYHO-DGCLKSJQSA-N 1 2 236.315 1.170 20 30 BDEDLO C=C(C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335557073 136099916 /nfs/dbraw/zinc/09/99/16/136099916.db2.gz DZJQPANRNGTBKF-JTQLQIEISA-N 1 2 219.288 1.138 20 30 BDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000598595148 398032069 /nfs/dbraw/zinc/03/20/69/398032069.db2.gz CEFZCEVFAFGYRB-LLVKDONJSA-N 1 2 248.330 1.069 20 30 BDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000598595148 398032072 /nfs/dbraw/zinc/03/20/72/398032072.db2.gz CEFZCEVFAFGYRB-LLVKDONJSA-N 1 2 248.330 1.069 20 30 BDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000598595148 398032075 /nfs/dbraw/zinc/03/20/75/398032075.db2.gz CEFZCEVFAFGYRB-LLVKDONJSA-N 1 2 248.330 1.069 20 30 BDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000598595148 398032078 /nfs/dbraw/zinc/03/20/78/398032078.db2.gz CEFZCEVFAFGYRB-LLVKDONJSA-N 1 2 248.330 1.069 20 30 BDEDLO Cc1cc[nH+]cc1N1CCN(CCC#N)CC1 ZINC000340107242 398060824 /nfs/dbraw/zinc/06/08/24/398060824.db2.gz VNETWRJJZISNBI-UHFFFAOYSA-N 1 2 230.315 1.426 20 30 BDEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC#N ZINC000065297622 398086934 /nfs/dbraw/zinc/08/69/34/398086934.db2.gz JHBLNYVGSMVRED-LLVKDONJSA-N 1 2 223.320 1.233 20 30 BDEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC#N ZINC000065297622 398086937 /nfs/dbraw/zinc/08/69/37/398086937.db2.gz JHBLNYVGSMVRED-LLVKDONJSA-N 1 2 223.320 1.233 20 30 BDEDLO C#CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000219400389 398091381 /nfs/dbraw/zinc/09/13/81/398091381.db2.gz YXYPAEAOSVIZLL-CQSZACIVSA-N 1 2 214.312 1.608 20 30 BDEDLO C#CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000219400389 398091383 /nfs/dbraw/zinc/09/13/83/398091383.db2.gz YXYPAEAOSVIZLL-CQSZACIVSA-N 1 2 214.312 1.608 20 30 BDEDLO C#CC[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CC1 ZINC000491667462 398057253 /nfs/dbraw/zinc/05/72/53/398057253.db2.gz VBCTXHSONQCCJL-UHFFFAOYSA-N 1 2 232.331 1.631 20 30 BDEDLO C#CC[N@H+](Cc1cn(C(C)(C)C)nn1)C1CC1 ZINC000491667462 398057256 /nfs/dbraw/zinc/05/72/56/398057256.db2.gz VBCTXHSONQCCJL-UHFFFAOYSA-N 1 2 232.331 1.631 20 30 BDEDLO C#CCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000270677501 166134732 /nfs/dbraw/zinc/13/47/32/166134732.db2.gz YFZLRRGOPGOKQR-SECBINFHSA-N 1 2 223.276 1.232 20 30 BDEDLO C#CCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000270677501 166134735 /nfs/dbraw/zinc/13/47/35/166134735.db2.gz YFZLRRGOPGOKQR-SECBINFHSA-N 1 2 223.276 1.232 20 30 BDEDLO C=CC[N@H+](Cc1nccn1C)[C@H](C)COC ZINC000661240662 410403152 /nfs/dbraw/zinc/40/31/52/410403152.db2.gz PRPMGJKDPLGXCS-LLVKDONJSA-N 1 2 223.320 1.443 20 30 BDEDLO C=CC[N@@H+](Cc1nccn1C)[C@H](C)COC ZINC000661240662 410403158 /nfs/dbraw/zinc/40/31/58/410403158.db2.gz PRPMGJKDPLGXCS-LLVKDONJSA-N 1 2 223.320 1.443 20 30 BDEDLO C#CC[N@@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000266946320 166169054 /nfs/dbraw/zinc/16/90/54/166169054.db2.gz SKQWVUMBDKVKDO-LBPRGKRZSA-N 1 2 234.274 1.307 20 30 BDEDLO C#CC[N@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000266946320 166169055 /nfs/dbraw/zinc/16/90/55/166169055.db2.gz SKQWVUMBDKVKDO-LBPRGKRZSA-N 1 2 234.274 1.307 20 30 BDEDLO C=CCCO[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237412691 166289455 /nfs/dbraw/zinc/28/94/55/166289455.db2.gz FBRCAYZSSQVBKZ-SECBINFHSA-N 1 2 235.287 1.584 20 30 BDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000123863261 166303642 /nfs/dbraw/zinc/30/36/42/166303642.db2.gz IINZWHJADAPZKQ-NSHDSACASA-N 1 2 226.345 1.902 20 30 BDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000123863261 166303643 /nfs/dbraw/zinc/30/36/43/166303643.db2.gz IINZWHJADAPZKQ-NSHDSACASA-N 1 2 226.345 1.902 20 30 BDEDLO C=CCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000275108405 166316040 /nfs/dbraw/zinc/31/60/40/166316040.db2.gz RFZPFTUZBXALRJ-JTQLQIEISA-N 1 2 222.292 1.099 20 30 BDEDLO C=CC[N@H+](CC(=O)Nc1nncs1)C1CC1 ZINC000271396217 166326375 /nfs/dbraw/zinc/32/63/75/166326375.db2.gz KSIBBWXQHLJAKB-UHFFFAOYSA-N 1 2 238.316 1.127 20 30 BDEDLO C=CC[N@@H+](CC(=O)Nc1nncs1)C1CC1 ZINC000271396217 166326377 /nfs/dbraw/zinc/32/63/77/166326377.db2.gz KSIBBWXQHLJAKB-UHFFFAOYSA-N 1 2 238.316 1.127 20 30 BDEDLO C=CC[N@@H+](CCC#CC)[C@H]1CCS(=O)(=O)C1 ZINC000156628105 166339955 /nfs/dbraw/zinc/33/99/55/166339955.db2.gz PFNUHPOJQDQEFF-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C=CC[N@H+](CCC#CC)[C@H]1CCS(=O)(=O)C1 ZINC000156628105 166339958 /nfs/dbraw/zinc/33/99/58/166339958.db2.gz PFNUHPOJQDQEFF-LBPRGKRZSA-N 1 2 241.356 1.075 20 30 BDEDLO C=CCN(c1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000278727087 166348289 /nfs/dbraw/zinc/34/82/89/166348289.db2.gz KONVDMYGAHDZCV-UHFFFAOYSA-N 1 2 244.302 1.100 20 30 BDEDLO Cn1nccc1[C@H]1COCC[N@@H+]1CCCCC#N ZINC000593111843 411138274 /nfs/dbraw/zinc/13/82/74/411138274.db2.gz WDFSQWFLTYDHRP-CYBMUJFWSA-N 1 2 248.330 1.487 20 30 BDEDLO Cn1nccc1[C@H]1COCC[N@H+]1CCCCC#N ZINC000593111843 411138275 /nfs/dbraw/zinc/13/82/75/411138275.db2.gz WDFSQWFLTYDHRP-CYBMUJFWSA-N 1 2 248.330 1.487 20 30 BDEDLO C=CC[C@@H](CO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000364920932 411123531 /nfs/dbraw/zinc/12/35/31/411123531.db2.gz ATKACPHLZIDJLV-NSHDSACASA-N 1 2 244.298 1.038 20 30 BDEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159210 411272317 /nfs/dbraw/zinc/27/23/17/411272317.db2.gz NRJHYVLTIHFPSW-NXEZZACHSA-N 1 2 238.335 1.641 20 30 BDEDLO C=C(CC)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000654376643 411382030 /nfs/dbraw/zinc/38/20/30/411382030.db2.gz QJYUOZSFUJCPLO-NSHDSACASA-N 1 2 233.315 1.528 20 30 BDEDLO C=C1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000659909092 411495073 /nfs/dbraw/zinc/49/50/73/411495073.db2.gz CRPGVBNHERHKAE-UHFFFAOYSA-N 1 2 232.287 1.067 20 30 BDEDLO C=C(CC)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657485232 411530194 /nfs/dbraw/zinc/53/01/94/411530194.db2.gz VYBULSLTIMRIKP-UHFFFAOYSA-N 1 2 223.324 1.484 20 30 BDEDLO C=CC[N@@H+](CCOC)Cc1cn(C)cn1 ZINC000660404379 411580054 /nfs/dbraw/zinc/58/00/54/411580054.db2.gz ZCCSYARNGPJARK-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C=CC[N@H+](CCOC)Cc1cn(C)cn1 ZINC000660404379 411580056 /nfs/dbraw/zinc/58/00/56/411580056.db2.gz ZCCSYARNGPJARK-UHFFFAOYSA-N 1 2 209.293 1.055 20 30 BDEDLO C=CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000660688083 411617647 /nfs/dbraw/zinc/61/76/47/411617647.db2.gz GGUKORFITPTPDL-UHFFFAOYSA-N 1 2 248.330 1.759 20 30 BDEDLO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000661114676 411713045 /nfs/dbraw/zinc/71/30/45/411713045.db2.gz JQTOJAQWBAGNCR-NXEZZACHSA-N 1 2 236.319 1.735 20 30 BDEDLO C=CC[N@H+](Cc1nnc(C)s1)[C@H](C)COC ZINC000661241198 411740300 /nfs/dbraw/zinc/74/03/00/411740300.db2.gz YAOADMCIFAMEFD-SECBINFHSA-N 1 2 241.360 1.869 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(C)s1)[C@H](C)COC ZINC000661241198 411740306 /nfs/dbraw/zinc/74/03/06/411740306.db2.gz YAOADMCIFAMEFD-SECBINFHSA-N 1 2 241.360 1.869 20 30 BDEDLO C=C(C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661267713 411746343 /nfs/dbraw/zinc/74/63/43/411746343.db2.gz UOUXGHDLXGLBPP-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO C=C(C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661267713 411746345 /nfs/dbraw/zinc/74/63/45/411746345.db2.gz UOUXGHDLXGLBPP-UHFFFAOYSA-N 1 2 222.292 1.517 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCc2nccnc2C1 ZINC000662121674 411992256 /nfs/dbraw/zinc/99/22/56/411992256.db2.gz DXZHFUHXMHNVEM-LLVKDONJSA-N 1 2 215.300 1.637 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCc2nccnc2C1 ZINC000662121674 411992257 /nfs/dbraw/zinc/99/22/57/411992257.db2.gz DXZHFUHXMHNVEM-LLVKDONJSA-N 1 2 215.300 1.637 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nc(CCCC)no1 ZINC000662163774 412014790 /nfs/dbraw/zinc/01/47/90/412014790.db2.gz JPWIOZMCPAOKNG-SECBINFHSA-N 1 2 225.292 1.049 20 30 BDEDLO C#C[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC000491349845 412053955 /nfs/dbraw/zinc/05/39/55/412053955.db2.gz KPWSYNGACHNBSU-JTQLQIEISA-N 1 2 233.319 1.316 20 30 BDEDLO C#C[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000491349845 412053962 /nfs/dbraw/zinc/05/39/62/412053962.db2.gz KPWSYNGACHNBSU-JTQLQIEISA-N 1 2 233.319 1.316 20 30 BDEDLO CC(C)(CNc1cc(C#N)cnn1)n1cc[nH+]c1 ZINC000601198285 412256832 /nfs/dbraw/zinc/25/68/32/412256832.db2.gz UCRVXZFPIWCICJ-UHFFFAOYSA-N 1 2 242.286 1.392 20 30 BDEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000289962481 172052034 /nfs/dbraw/zinc/05/20/34/172052034.db2.gz YIBAYAANTIZLMR-UHFFFAOYSA-N 1 2 248.311 1.855 20 30 BDEDLO COCC1(C#N)CC[NH+](CC2(C#N)CC2)CC1 ZINC000341987780 174084032 /nfs/dbraw/zinc/08/40/32/174084032.db2.gz IJMYKRVNRABBCO-UHFFFAOYSA-N 1 2 233.315 1.542 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000119342661 176012702 /nfs/dbraw/zinc/01/27/02/176012702.db2.gz FBJXKALMKNRVSH-NSHDSACASA-N 1 2 243.310 1.393 20 30 BDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)C(=O)C1 ZINC000119342661 176012704 /nfs/dbraw/zinc/01/27/04/176012704.db2.gz FBJXKALMKNRVSH-NSHDSACASA-N 1 2 243.310 1.393 20 30 BDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC000168883506 177262398 /nfs/dbraw/zinc/26/23/98/177262398.db2.gz INGAJFMQXBHDJC-NSHDSACASA-N 1 2 228.295 1.969 20 30 BDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC000168883506 177262400 /nfs/dbraw/zinc/26/24/00/177262400.db2.gz INGAJFMQXBHDJC-NSHDSACASA-N 1 2 228.295 1.969 20 30 BDEDLO C[C@H]1OCC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C ZINC000191365357 177397987 /nfs/dbraw/zinc/39/79/87/177397987.db2.gz AWTDQTHXZDWUMO-GHMZBOCLSA-N 1 2 233.315 1.506 20 30 BDEDLO C[C@H]1OCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C ZINC000191365357 177397989 /nfs/dbraw/zinc/39/79/89/177397989.db2.gz AWTDQTHXZDWUMO-GHMZBOCLSA-N 1 2 233.315 1.506 20 30 BDEDLO N#Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)s1 ZINC000487244267 225294566 /nfs/dbraw/zinc/29/45/66/225294566.db2.gz CXBVHONBCVUHPP-UHFFFAOYSA-N 1 2 246.295 1.315 20 30 BDEDLO C=C1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000675294498 487693535 /nfs/dbraw/zinc/69/35/35/487693535.db2.gz AMAKAGNLTCXIGV-UHFFFAOYSA-N 1 2 231.361 1.463 20 30 BDEDLO CC[N@@H+](CC[C@@H]1CCOC1=O)[C@H](C)C#N ZINC000852638438 588693508 /nfs/dbraw/zinc/69/35/08/588693508.db2.gz BZUNQMSIGXCXSY-NXEZZACHSA-N 1 2 210.277 1.174 20 30 BDEDLO C=C[C@@H]([NH2+][C@H](C)CCSC)C(=O)OC ZINC000301051144 592527590 /nfs/dbraw/zinc/52/75/90/592527590.db2.gz TZNABEIEQDUSLB-RKDXNWHRSA-N 1 2 217.334 1.445 20 30 BDEDLO COCC#CC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000669941687 487947962 /nfs/dbraw/zinc/94/79/62/487947962.db2.gz YPFSMBFVCLIUIJ-UHFFFAOYSA-N 1 2 249.285 1.670 20 30 BDEDLO COCC#CC[N@H+]1CCOc2cccc(F)c2C1 ZINC000669941687 487947970 /nfs/dbraw/zinc/94/79/70/487947970.db2.gz YPFSMBFVCLIUIJ-UHFFFAOYSA-N 1 2 249.285 1.670 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccncc1C#N ZINC000562535981 323023349 /nfs/dbraw/zinc/02/33/49/323023349.db2.gz RGUMVWIDGBUSGC-SNVBAGLBSA-N 1 2 241.298 1.765 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000569707109 323037904 /nfs/dbraw/zinc/03/79/04/323037904.db2.gz USBPHRXLWLPDLI-GXSJLCMTSA-N 1 2 234.303 1.253 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000569707109 323037905 /nfs/dbraw/zinc/03/79/05/323037905.db2.gz USBPHRXLWLPDLI-GXSJLCMTSA-N 1 2 234.303 1.253 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000570644502 323065892 /nfs/dbraw/zinc/06/58/92/323065892.db2.gz GFJXVWRDZDIHEW-SSDOTTSWSA-N 1 2 244.254 1.674 20 30 BDEDLO C[C@@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000570696365 323067586 /nfs/dbraw/zinc/06/75/86/323067586.db2.gz LBIQFPVVSRKBGT-RNSXUZJQSA-N 1 2 218.260 1.137 20 30 BDEDLO C=CC(C)(C)CNc1nc[nH+]c(N)c1OC ZINC000570866492 323072887 /nfs/dbraw/zinc/07/28/87/323072887.db2.gz LEXVMNCCIGUWIO-UHFFFAOYSA-N 1 2 222.292 1.113 20 30 BDEDLO C=CC(C)(C)CNc1[nH+]cnc(N)c1OC ZINC000570866492 323072888 /nfs/dbraw/zinc/07/28/88/323072888.db2.gz LEXVMNCCIGUWIO-UHFFFAOYSA-N 1 2 222.292 1.113 20 30 BDEDLO Cc1csc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000562985990 323077987 /nfs/dbraw/zinc/07/79/87/323077987.db2.gz NKEZWOUQMCFQRX-SNVBAGLBSA-N 1 2 234.328 1.985 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000571177930 323137223 /nfs/dbraw/zinc/13/72/23/323137223.db2.gz UOGHVFQLESMROP-ZANVPECISA-N 1 2 246.314 1.397 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000571177930 323137224 /nfs/dbraw/zinc/13/72/24/323137224.db2.gz UOGHVFQLESMROP-ZANVPECISA-N 1 2 246.314 1.397 20 30 BDEDLO C=CCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571567777 323148810 /nfs/dbraw/zinc/14/88/10/323148810.db2.gz CFPQFKMPJFIYKD-GFCCVEGCSA-N 1 2 223.320 1.303 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC000571653472 323151212 /nfs/dbraw/zinc/15/12/12/323151212.db2.gz IOLIKAGRENWJHD-NSHDSACASA-N 1 2 247.298 1.650 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245417 323245309 /nfs/dbraw/zinc/24/53/09/323245309.db2.gz OILRDZDIRRWDKB-GFCCVEGCSA-N 1 2 240.347 1.132 20 30 BDEDLO CCC(=O)N1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000537210647 324038242 /nfs/dbraw/zinc/03/82/42/324038242.db2.gz NXTGINCBIDTUPE-UHFFFAOYSA-N 1 2 235.331 1.234 20 30 BDEDLO CCC(=O)N1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000537210647 324038244 /nfs/dbraw/zinc/03/82/44/324038244.db2.gz NXTGINCBIDTUPE-UHFFFAOYSA-N 1 2 235.331 1.234 20 30 BDEDLO C#C[C@H](CC)NC(=O)NCc1c[nH+]ccc1OC ZINC000491737308 324158789 /nfs/dbraw/zinc/15/87/89/324158789.db2.gz BMWCGOJOLDDLSX-LLVKDONJSA-N 1 2 247.298 1.301 20 30 BDEDLO Cc1ccnc(N2CC(n3cc[nH+]c3)C2)c1C#N ZINC000542204581 325015006 /nfs/dbraw/zinc/01/50/06/325015006.db2.gz ITFTYNPRNPYAGR-UHFFFAOYSA-N 1 2 239.282 1.520 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000542693883 325041731 /nfs/dbraw/zinc/04/17/31/325041731.db2.gz CKHKTBAPHHDVAY-NSHDSACASA-N 1 2 245.330 1.326 20 30 BDEDLO CC#CCCCC(=O)NCCCCn1cc[nH+]c1 ZINC000545939679 325249280 /nfs/dbraw/zinc/24/92/80/325249280.db2.gz BCZXHEBFAHIKCH-UHFFFAOYSA-N 1 2 247.342 1.973 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000134877622 325380739 /nfs/dbraw/zinc/38/07/39/325380739.db2.gz MZIRIAGHKQVFFO-CYBMUJFWSA-N 1 2 235.331 1.981 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2nccs2)o1 ZINC000135482397 325414359 /nfs/dbraw/zinc/41/43/59/325414359.db2.gz SWWYAPREDJCNCS-UHFFFAOYSA-N 1 2 219.269 1.898 20 30 BDEDLO C=CC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000564335512 325414500 /nfs/dbraw/zinc/41/45/00/325414500.db2.gz QVOOHWOUDNRXLR-WOPDTQHZSA-N 1 2 241.331 1.509 20 30 BDEDLO C[C@H](CC(=O)N[C@@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC000564336357 325417006 /nfs/dbraw/zinc/41/70/06/325417006.db2.gz YCYXZVWRLLXNQI-ZWNOBZJWSA-N 1 2 246.314 1.643 20 30 BDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)CC#N ZINC000566467733 326052038 /nfs/dbraw/zinc/05/20/38/326052038.db2.gz XEDORKMDKBKAKP-SNVBAGLBSA-N 1 2 248.330 1.644 20 30 BDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)CC#N ZINC000566467733 326052039 /nfs/dbraw/zinc/05/20/39/326052039.db2.gz XEDORKMDKBKAKP-SNVBAGLBSA-N 1 2 248.330 1.644 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000567161704 326126710 /nfs/dbraw/zinc/12/67/10/326126710.db2.gz MEGIIVJZZKMHDR-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO C#CC[N@@H+](Cc1nnc(C)o1)C1CCCC1 ZINC000155788618 326212253 /nfs/dbraw/zinc/21/22/53/326212253.db2.gz NLQMHKVMUCQWTL-UHFFFAOYSA-N 1 2 219.288 1.756 20 30 BDEDLO C#CC[N@H+](Cc1nnc(C)o1)C1CCCC1 ZINC000155788618 326212254 /nfs/dbraw/zinc/21/22/54/326212254.db2.gz NLQMHKVMUCQWTL-UHFFFAOYSA-N 1 2 219.288 1.756 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000567592662 326225384 /nfs/dbraw/zinc/22/53/84/326225384.db2.gz BEMQTLCPOBKMQB-OWTLIXCDSA-N 1 2 249.358 1.383 20 30 BDEDLO C[C@@H](CCC#N)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000567995610 326293855 /nfs/dbraw/zinc/29/38/55/326293855.db2.gz PWHXIDVJRBJQBS-VIFPVBQESA-N 1 2 249.318 1.382 20 30 BDEDLO CC[C@H](CC#N)[NH2+]C[C@H](C#N)CCC#N ZINC000568181108 326320999 /nfs/dbraw/zinc/32/09/99/326320999.db2.gz KUAVEMHERBHNDX-WDEREUQCSA-N 1 2 204.277 1.712 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568531165 326364132 /nfs/dbraw/zinc/36/41/32/326364132.db2.gz WUDHRUZELXPVDC-DTWKUNHWSA-N 1 2 220.276 1.007 20 30 BDEDLO CC[C@H](C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568531165 326364133 /nfs/dbraw/zinc/36/41/33/326364133.db2.gz WUDHRUZELXPVDC-DTWKUNHWSA-N 1 2 220.276 1.007 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682512481 487972852 /nfs/dbraw/zinc/97/28/52/487972852.db2.gz UFWOZCPFCACFJX-VHSXEESVSA-N 1 2 219.288 1.136 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](CC(C)C)OC ZINC000491704347 488038205 /nfs/dbraw/zinc/03/82/05/488038205.db2.gz IPGHHSIQNFYXBI-CHWSQXEVSA-N 1 2 225.332 1.382 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](CC(C)C)OC ZINC000491704347 488038208 /nfs/dbraw/zinc/03/82/08/488038208.db2.gz IPGHHSIQNFYXBI-CHWSQXEVSA-N 1 2 225.332 1.382 20 30 BDEDLO CN(Cc1[nH+]ccn1C)c1ccnc(C#N)c1 ZINC000062255556 488067851 /nfs/dbraw/zinc/06/78/51/488067851.db2.gz JEOJBEQCTSWWLD-UHFFFAOYSA-N 1 2 227.271 1.323 20 30 BDEDLO C=CCC[C@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000321153134 488128867 /nfs/dbraw/zinc/12/88/67/488128867.db2.gz VOPCMRMNVKGMQI-LLVKDONJSA-N 1 2 221.304 1.778 20 30 BDEDLO C=CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000680115318 487538425 /nfs/dbraw/zinc/53/84/25/487538425.db2.gz DFROLRCRDHGFAD-ZDUSSCGKSA-N 1 2 248.301 1.875 20 30 BDEDLO C=CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000680115318 487538429 /nfs/dbraw/zinc/53/84/29/487538429.db2.gz DFROLRCRDHGFAD-ZDUSSCGKSA-N 1 2 248.301 1.875 20 30 BDEDLO CCC[C@@H]1C[N@H+](CC#CCOC)CCO1 ZINC000677819620 487515598 /nfs/dbraw/zinc/51/55/98/487515598.db2.gz GECREGMCVHPCEP-GFCCVEGCSA-N 1 2 211.305 1.137 20 30 BDEDLO CCC[C@@H]1C[N@@H+](CC#CCOC)CCO1 ZINC000677819620 487515601 /nfs/dbraw/zinc/51/56/01/487515601.db2.gz GECREGMCVHPCEP-GFCCVEGCSA-N 1 2 211.305 1.137 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220549349 487516735 /nfs/dbraw/zinc/51/67/35/487516735.db2.gz QMPDFMKKDIXFMW-LLVKDONJSA-N 1 2 245.326 1.715 20 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C#C[C@@H](CCC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000491792705 490119684 /nfs/dbraw/zinc/11/96/84/490119684.db2.gz HAZVUJDAZHXKPU-NEPJUHHUSA-N 1 2 245.326 1.364 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](C(C)C)CC1=O ZINC000491743405 491080426 /nfs/dbraw/zinc/08/04/26/491080426.db2.gz WBTJJFCYOKHPDR-RYUDHWBXSA-N 1 2 222.332 1.402 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](C(C)C)CC1=O ZINC000491743405 491080427 /nfs/dbraw/zinc/08/04/27/491080427.db2.gz WBTJJFCYOKHPDR-RYUDHWBXSA-N 1 2 222.332 1.402 20 30 BDEDLO CC#CCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000563895420 491123434 /nfs/dbraw/zinc/12/34/34/491123434.db2.gz RYOCKVMKSOLBSR-UHFFFAOYSA-N 1 2 228.295 1.854 20 30 BDEDLO CC#CCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000563895420 491123435 /nfs/dbraw/zinc/12/34/35/491123435.db2.gz RYOCKVMKSOLBSR-UHFFFAOYSA-N 1 2 228.295 1.854 20 30 BDEDLO C=C(Cl)C[N@H+]1CCOC[C@H]1CCOC ZINC000365850144 534437040 /nfs/dbraw/zinc/43/70/40/534437040.db2.gz UYSKIMDCGWLJRO-SNVBAGLBSA-N 1 2 219.712 1.476 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCOC[C@H]1CCOC ZINC000365850144 534437046 /nfs/dbraw/zinc/43/70/46/534437046.db2.gz UYSKIMDCGWLJRO-SNVBAGLBSA-N 1 2 219.712 1.476 20 30 BDEDLO C=CCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000293761334 534540561 /nfs/dbraw/zinc/54/05/61/534540561.db2.gz OZMHLICJMSFCMM-UHFFFAOYSA-N 1 2 207.277 1.628 20 30 BDEDLO C=CCCC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000355984580 534636652 /nfs/dbraw/zinc/63/66/52/534636652.db2.gz KGUUZKKBOOFTDU-UHFFFAOYSA-N 1 2 233.315 1.815 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000348017286 534806249 /nfs/dbraw/zinc/80/62/49/534806249.db2.gz VJSFFWUEJJFJRB-WOPDTQHZSA-N 1 2 243.347 1.491 20 30 BDEDLO C=CCN(CC)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366079276 534821134 /nfs/dbraw/zinc/82/11/34/534821134.db2.gz MZLRZIQJWXHTMZ-JTQLQIEISA-N 1 2 233.315 1.864 20 30 BDEDLO C=CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000119040569 534860572 /nfs/dbraw/zinc/86/05/72/534860572.db2.gz HDJYLLKOHAVAOK-LBPRGKRZSA-N 1 2 247.298 1.430 20 30 BDEDLO C=CCOC[C@H]([NH2+][C@@H](C)CC1CC1)C(=O)OC ZINC000361114193 534880409 /nfs/dbraw/zinc/88/04/09/534880409.db2.gz RLDJWEHCZGNBMZ-JQWIXIFHSA-N 1 2 241.331 1.509 20 30 BDEDLO C=CC[N@@H+](CN1CC(C)(C)OC1=O)C1CC1 ZINC000495684719 526330267 /nfs/dbraw/zinc/33/02/67/526330267.db2.gz DVKKVMWWIXOBEV-UHFFFAOYSA-N 1 2 224.304 1.825 20 30 BDEDLO C=CC[N@H+](CN1CC(C)(C)OC1=O)C1CC1 ZINC000495684719 526330269 /nfs/dbraw/zinc/33/02/69/526330269.db2.gz DVKKVMWWIXOBEV-UHFFFAOYSA-N 1 2 224.304 1.825 20 30 BDEDLO C=C(C)CN(CC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493751369 526510095 /nfs/dbraw/zinc/51/00/95/526510095.db2.gz VKZVYMCVHXNRHD-AATRIKPKSA-N 1 2 219.288 1.848 20 30 BDEDLO C=C(C)CONC(=O)/C=C\c1[nH+]ccn1CC ZINC000493619294 526659487 /nfs/dbraw/zinc/65/94/87/526659487.db2.gz NKRZIGJOUPSZRJ-WAYWQWQTSA-N 1 2 235.287 1.540 20 30 BDEDLO C=CCOCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000174763398 526739199 /nfs/dbraw/zinc/73/91/99/526739199.db2.gz RUZHDXXJULZVFV-UHFFFAOYSA-N 1 2 237.303 1.051 20 30 BDEDLO C=CCONC(=O)/C=C/c1[nH+]ccn1CC ZINC000493580733 526818111 /nfs/dbraw/zinc/81/81/11/526818111.db2.gz HNROHKAUCIYSPI-AATRIKPKSA-N 1 2 221.260 1.150 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C#N)o1 ZINC000490914781 526863844 /nfs/dbraw/zinc/86/38/44/526863844.db2.gz JLJQRAGXLFUTQE-UHFFFAOYSA-N 1 2 212.252 1.610 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C#N)o1 ZINC000490914781 526863848 /nfs/dbraw/zinc/86/38/48/526863848.db2.gz JLJQRAGXLFUTQE-UHFFFAOYSA-N 1 2 212.252 1.610 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1cccc(F)c1 ZINC000490677626 526864767 /nfs/dbraw/zinc/86/47/67/526864767.db2.gz LIPVPNGXGJORIC-OAHLLOKOSA-N 1 2 245.297 1.818 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1cccc(F)c1 ZINC000490677626 526864771 /nfs/dbraw/zinc/86/47/71/526864771.db2.gz LIPVPNGXGJORIC-OAHLLOKOSA-N 1 2 245.297 1.818 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1cccc(O)c1OC ZINC000490922472 526864897 /nfs/dbraw/zinc/86/48/97/526864897.db2.gz DTTABUCJHPKJRW-UHFFFAOYSA-N 1 2 243.306 1.859 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(O)c1OC ZINC000490922472 526864906 /nfs/dbraw/zinc/86/49/06/526864906.db2.gz DTTABUCJHPKJRW-UHFFFAOYSA-N 1 2 243.306 1.859 20 30 BDEDLO COCCOCC[N@H+](CC#N)C1CCCC1 ZINC000080215547 536496591 /nfs/dbraw/zinc/49/65/91/536496591.db2.gz NLSWEPAYZGFNSD-UHFFFAOYSA-N 1 2 226.320 1.418 20 30 BDEDLO COCCOCC[N@@H+](CC#N)C1CCCC1 ZINC000080215547 536496598 /nfs/dbraw/zinc/49/65/98/536496598.db2.gz NLSWEPAYZGFNSD-UHFFFAOYSA-N 1 2 226.320 1.418 20 30 BDEDLO C=CCSCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493107512 526979710 /nfs/dbraw/zinc/97/97/10/526979710.db2.gz QCJQYMMQKGCGIA-ONEGZZNKSA-N 1 2 237.328 1.458 20 30 BDEDLO C#C[C@@H]([NH2+][C@@H](CCC)C(=O)OCC)C(C)C ZINC000300900823 527294101 /nfs/dbraw/zinc/29/41/01/527294101.db2.gz KXSRBEFFUCJFBV-NEPJUHHUSA-N 1 2 225.332 1.966 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493771273 527466257 /nfs/dbraw/zinc/46/62/57/527466257.db2.gz MFWORFKARAWHQJ-PVTPVBHGSA-N 1 2 247.298 1.273 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493680997 527489632 /nfs/dbraw/zinc/48/96/32/527489632.db2.gz ZBNYOINGHKYDCF-SEUFLZDSSA-N 1 2 247.298 1.130 20 30 BDEDLO C=C[C@H](C)ONC(=O)/C=C/c1[nH+]ccn1CC ZINC000493151041 527572387 /nfs/dbraw/zinc/57/23/87/527572387.db2.gz LXYAVYGVNARETA-FGEFZZPRSA-N 1 2 235.287 1.539 20 30 BDEDLO CC[N@@H+](Cc1conc1C)C[C@H](C)C#N ZINC000507583457 528880954 /nfs/dbraw/zinc/88/09/54/528880954.db2.gz PHKMQCGHSKBVRA-SECBINFHSA-N 1 2 207.277 1.965 20 30 BDEDLO CC[N@H+](Cc1conc1C)C[C@H](C)C#N ZINC000507583457 528880957 /nfs/dbraw/zinc/88/09/57/528880957.db2.gz PHKMQCGHSKBVRA-SECBINFHSA-N 1 2 207.277 1.965 20 30 BDEDLO CC[C@@H](C#N)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492641517 529266358 /nfs/dbraw/zinc/26/63/58/529266358.db2.gz CXIMSGHXSBGDFY-PORFMDCZSA-N 1 2 232.287 1.335 20 30 BDEDLO CC(C)(C#N)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000359652472 534997652 /nfs/dbraw/zinc/99/76/52/534997652.db2.gz SXCBUNJXFFEYKK-JTQLQIEISA-N 1 2 246.314 1.111 20 30 BDEDLO CCCCN(C)C(=O)NCc1[nH+]ccn1C ZINC000330566826 535192514 /nfs/dbraw/zinc/19/25/14/535192514.db2.gz KZKMGJSWHWWFPX-UHFFFAOYSA-N 1 2 224.308 1.566 20 30 BDEDLO CCOC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000227352764 535623653 /nfs/dbraw/zinc/62/36/53/535623653.db2.gz UNTKRQRVGKIIHQ-JTQLQIEISA-N 1 2 224.304 1.564 20 30 BDEDLO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000087595202 536314934 /nfs/dbraw/zinc/31/49/34/536314934.db2.gz WSBCAXGJTCPIBA-SNVBAGLBSA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000087595202 536314936 /nfs/dbraw/zinc/31/49/36/536314936.db2.gz WSBCAXGJTCPIBA-SNVBAGLBSA-N 1 2 244.360 1.045 20 30 BDEDLO COc1ccc2c(c1)C[N@@H+](CCC#N)CC2 ZINC000299172487 536982773 /nfs/dbraw/zinc/98/27/73/536982773.db2.gz TVCQNTMYCXCQMU-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO COc1ccc2c(c1)C[N@H+](CCC#N)CC2 ZINC000299172487 536982777 /nfs/dbraw/zinc/98/27/77/536982777.db2.gz TVCQNTMYCXCQMU-UHFFFAOYSA-N 1 2 216.284 1.967 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnnn1CCCC ZINC000852096642 583000968 /nfs/dbraw/zinc/00/09/68/583000968.db2.gz DKCZLFBLFBZWPZ-LBPRGKRZSA-N 1 2 235.335 1.365 20 30 BDEDLO C=CCNC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853044349 588717570 /nfs/dbraw/zinc/71/75/70/588717570.db2.gz HSDNBQFTRUEEJV-QMMMGPOBSA-N 1 2 224.333 1.131 20 30 BDEDLO Cc1cc(N=NC(C)c2c[nH]c[nH+]2)nc(C)n1 ZINC000853290703 588731118 /nfs/dbraw/zinc/73/11/18/588731118.db2.gz HINZJTJLKSTCLO-UHFFFAOYSA-N 1 2 230.275 1.653 20 30 BDEDLO Cc1cc(N=NC(C)c2c[nH+]c[nH]2)nc(C)n1 ZINC000853290703 588731119 /nfs/dbraw/zinc/73/11/19/588731119.db2.gz HINZJTJLKSTCLO-UHFFFAOYSA-N 1 2 230.275 1.653 20 30 BDEDLO CC(C)n1cc[nH+]c1CN=Nc1cccnn1 ZINC000853308991 588731834 /nfs/dbraw/zinc/73/18/34/588731834.db2.gz DARXURFADZZUNQ-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO CC(C)CNN=Cc1c[nH+]c2n1CCC2 ZINC000853327215 588733342 /nfs/dbraw/zinc/73/33/42/588733342.db2.gz FEVOPFLHBSYDID-UHFFFAOYSA-N 1 2 206.293 1.409 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1cnn2c1CCC2 ZINC000853340466 588735207 /nfs/dbraw/zinc/73/52/07/588735207.db2.gz YWSAZHKYJVQFCW-UHFFFAOYSA-N 1 2 230.275 1.009 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@@H]2CCSC2)n1C ZINC000853345521 588735844 /nfs/dbraw/zinc/73/58/44/588735844.db2.gz BQELBKJDZZFGJN-SECBINFHSA-N 1 2 224.333 1.158 20 30 BDEDLO Cc1[nH+]cc(C=NOC/C=C\Cl)n1C ZINC000853346963 588736210 /nfs/dbraw/zinc/73/62/10/588736210.db2.gz CEXNNWFXEQFKHG-DFMYPLMMSA-N 1 2 213.668 1.832 20 30 BDEDLO Cc1[nH+]cc(C=NOCCOC(C)C)n1C ZINC000853349067 588736586 /nfs/dbraw/zinc/73/65/86/588736586.db2.gz SDHJFNMXNGYCSA-UHFFFAOYSA-N 1 2 225.292 1.504 20 30 BDEDLO Cc1[nH+]cc(C=NN[C@@H](C)c2ccncc2)n1C ZINC000853360136 588738183 /nfs/dbraw/zinc/73/81/83/588738183.db2.gz WIGXJQRDQAWAQZ-JTQLQIEISA-N 1 2 243.314 1.808 20 30 BDEDLO C#CCCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000853386848 588740280 /nfs/dbraw/zinc/74/02/80/588740280.db2.gz CZLAUVISZNUDNT-UHFFFAOYSA-N 1 2 232.283 1.622 20 30 BDEDLO Cc1nnc(N=NCc2c[nH+]cn2C(C)C)n1C ZINC000853430525 588741905 /nfs/dbraw/zinc/74/19/05/588741905.db2.gz CNSNNWGVLTXGJE-UHFFFAOYSA-N 1 2 247.306 1.347 20 30 BDEDLO N#Cc1cnnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000853469404 588744939 /nfs/dbraw/zinc/74/49/39/588744939.db2.gz PHKGEEIBKHVCCY-SNVBAGLBSA-N 1 2 240.270 1.413 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](CN2CCSC2=O)C1 ZINC000853525251 588747505 /nfs/dbraw/zinc/74/75/05/588747505.db2.gz CNGOHACLWNSCQO-JTQLQIEISA-N 1 2 239.344 1.738 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](CN2CCSC2=O)C1 ZINC000853525251 588747506 /nfs/dbraw/zinc/74/75/06/588747506.db2.gz CNGOHACLWNSCQO-JTQLQIEISA-N 1 2 239.344 1.738 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854079020 588773964 /nfs/dbraw/zinc/77/39/64/588773964.db2.gz UHBXJBAHEQSQNN-NXEZZACHSA-N 1 2 232.287 1.039 20 30 BDEDLO C=C[C@@H](C)ONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000855026886 588821070 /nfs/dbraw/zinc/82/10/70/588821070.db2.gz RQWLIJLTZKQRGK-OPRDCNLKSA-N 1 2 235.287 1.146 20 30 BDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000890550234 582472331 /nfs/dbraw/zinc/47/23/31/582472331.db2.gz IPJCZXISYFNYAA-VXGBXAGGSA-N 1 2 245.326 1.623 20 30 BDEDLO C=CC[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000890554862 582476863 /nfs/dbraw/zinc/47/68/63/582476863.db2.gz YMQKUCLQNMYIKS-RYUDHWBXSA-N 1 2 245.326 1.623 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000890658184 582495414 /nfs/dbraw/zinc/49/54/14/582495414.db2.gz HEACSWDXENTPKK-SBDDDAINSA-N 1 2 243.310 1.448 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](CC=C)C1)C(=O)OC ZINC000845980326 582642512 /nfs/dbraw/zinc/64/25/12/582642512.db2.gz DWTSHDJBYTURRA-AVGNSLFASA-N 1 2 235.327 1.886 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000846662707 582663936 /nfs/dbraw/zinc/66/39/36/582663936.db2.gz GDBLIHLUGNEZGD-VHSXEESVSA-N 1 2 235.287 1.068 20 30 BDEDLO C=C(C)CN(CC)c1cc(N(C)C)[nH+]cn1 ZINC000891723672 582714047 /nfs/dbraw/zinc/71/40/47/582714047.db2.gz QZLDLKKLPWXXLI-UHFFFAOYSA-N 1 2 220.320 1.945 20 30 BDEDLO C=C(C)CN(CC)c1cc(N(C)C)nc[nH+]1 ZINC000891723672 582714050 /nfs/dbraw/zinc/71/40/50/582714050.db2.gz QZLDLKKLPWXXLI-UHFFFAOYSA-N 1 2 220.320 1.945 20 30 BDEDLO C=C(C)CN(CC)c1cc(NC)[nH+]cn1 ZINC000891722948 582714374 /nfs/dbraw/zinc/71/43/74/582714374.db2.gz DVIZVEXQTBIXDY-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO C=C(C)CN(CC)c1cc(NC)nc[nH+]1 ZINC000891722948 582714376 /nfs/dbraw/zinc/71/43/76/582714376.db2.gz DVIZVEXQTBIXDY-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000848923570 582815694 /nfs/dbraw/zinc/81/56/94/582815694.db2.gz GOOUITHCKDRHJY-LBPRGKRZSA-N 1 2 246.358 1.878 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000848923570 582815696 /nfs/dbraw/zinc/81/56/96/582815696.db2.gz GOOUITHCKDRHJY-LBPRGKRZSA-N 1 2 246.358 1.878 20 30 BDEDLO C#CCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892526361 582906753 /nfs/dbraw/zinc/90/67/53/582906753.db2.gz IQDCYVDNAIVSHJ-SNVBAGLBSA-N 1 2 234.303 1.095 20 30 BDEDLO C#CCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892526361 582906755 /nfs/dbraw/zinc/90/67/55/582906755.db2.gz IQDCYVDNAIVSHJ-SNVBAGLBSA-N 1 2 234.303 1.095 20 30 BDEDLO C=CCCOCCNc1cc(N(C)C)nc[nH+]1 ZINC000892993700 583026148 /nfs/dbraw/zinc/02/61/48/583026148.db2.gz QZHKWPCMKKAULL-UHFFFAOYSA-N 1 2 236.319 1.547 20 30 BDEDLO C=CCCOCCNc1cc(N(C)C)[nH+]cn1 ZINC000892993700 583026150 /nfs/dbraw/zinc/02/61/50/583026150.db2.gz QZHKWPCMKKAULL-UHFFFAOYSA-N 1 2 236.319 1.547 20 30 BDEDLO C#CCOCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893144719 583057108 /nfs/dbraw/zinc/05/71/08/583057108.db2.gz UMVKNFPWJWAOSG-JTQLQIEISA-N 1 2 220.272 1.197 20 30 BDEDLO C=CC[N@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856735705 588875412 /nfs/dbraw/zinc/87/54/12/588875412.db2.gz BRBZSXGYMJKQAA-UHFFFAOYSA-N 1 2 245.388 1.852 20 30 BDEDLO C=CC[N@@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856735705 588875413 /nfs/dbraw/zinc/87/54/13/588875413.db2.gz BRBZSXGYMJKQAA-UHFFFAOYSA-N 1 2 245.388 1.852 20 30 BDEDLO COc1nccc(C[NH2+]C[C@@H](C)C#N)c1F ZINC000893544542 583160258 /nfs/dbraw/zinc/16/02/58/583160258.db2.gz LQBCMFPZUOJBTB-QMMMGPOBSA-N 1 2 223.251 1.479 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(C)nc1Cl ZINC000857040785 588883612 /nfs/dbraw/zinc/88/36/12/588883612.db2.gz ZFORTEBBHMEDIN-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857040785 588883613 /nfs/dbraw/zinc/88/36/13/588883613.db2.gz ZFORTEBBHMEDIN-QMMMGPOBSA-N 1 2 211.696 1.527 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000893922452 583248232 /nfs/dbraw/zinc/24/82/32/583248232.db2.gz DSWPWNFEZDJNQN-RKDXNWHRSA-N 1 2 246.257 1.276 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000893922452 583248233 /nfs/dbraw/zinc/24/82/33/583248233.db2.gz DSWPWNFEZDJNQN-RKDXNWHRSA-N 1 2 246.257 1.276 20 30 BDEDLO CC(C)c1c[nH]c(CN2CCN(CC#N)CC2)[nH+]1 ZINC000893993403 583267561 /nfs/dbraw/zinc/26/75/61/583267561.db2.gz QUMYPGFXRLYKSD-UHFFFAOYSA-N 1 2 247.346 1.174 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nccn1C1CC1 ZINC000894060805 583292903 /nfs/dbraw/zinc/29/29/03/583292903.db2.gz YWLRWAADKWQDPM-JTQLQIEISA-N 1 2 203.289 1.672 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nccn1C1CC1 ZINC000894060805 583292905 /nfs/dbraw/zinc/29/29/05/583292905.db2.gz YWLRWAADKWQDPM-JTQLQIEISA-N 1 2 203.289 1.672 20 30 BDEDLO C#C[C@H](C)N(C)Cc1[nH+]ccn1C1CC1 ZINC000894060805 583292906 /nfs/dbraw/zinc/29/29/06/583292906.db2.gz YWLRWAADKWQDPM-JTQLQIEISA-N 1 2 203.289 1.672 20 30 BDEDLO COC(=O)c1c[nH]c(C[NH2+]CCC#N)c1C1CC1 ZINC000894084736 583295948 /nfs/dbraw/zinc/29/59/48/583295948.db2.gz VGNCEWXURNFXME-UHFFFAOYSA-N 1 2 247.298 1.682 20 30 BDEDLO CN(C)c1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000894158813 583321301 /nfs/dbraw/zinc/32/13/01/583321301.db2.gz KDOSMGSGSSTBSG-UHFFFAOYSA-N 1 2 233.319 1.894 20 30 BDEDLO CN(C)c1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000894158813 583321304 /nfs/dbraw/zinc/32/13/04/583321304.db2.gz KDOSMGSGSSTBSG-UHFFFAOYSA-N 1 2 233.319 1.894 20 30 BDEDLO CO[C@H](C)CC/[NH+]=C/c1cccc(O)c1O ZINC000726430030 583354709 /nfs/dbraw/zinc/35/47/09/583354709.db2.gz VAWNNPVEAYVHFB-TVNQGELYSA-N 1 2 223.272 1.942 20 30 BDEDLO C#C[C@@H]1CCCN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000894427858 583456280 /nfs/dbraw/zinc/45/62/80/583456280.db2.gz PNOOKEBJTMXRBR-SECBINFHSA-N 1 2 243.314 1.181 20 30 BDEDLO C#C[C@@H]1CCCN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000894427858 583456282 /nfs/dbraw/zinc/45/62/82/583456282.db2.gz PNOOKEBJTMXRBR-SECBINFHSA-N 1 2 243.314 1.181 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1[nH]nc(C)c1C ZINC000894469036 583468412 /nfs/dbraw/zinc/46/84/12/583468412.db2.gz IIRGDFOGDIGYJH-JTQLQIEISA-N 1 2 206.293 1.808 20 30 BDEDLO COCCN(CC#N)Cc1[nH+]ccn1C1CC1 ZINC000894807239 583523509 /nfs/dbraw/zinc/52/35/09/583523509.db2.gz FMNDTVLKRLISLG-UHFFFAOYSA-N 1 2 234.303 1.190 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CSCCC)C(=O)OC ZINC000894859402 583533624 /nfs/dbraw/zinc/53/36/24/583533624.db2.gz UHEJJHHEIYQNCA-MNOVXSKESA-N 1 2 243.372 1.673 20 30 BDEDLO Cc1cc[nH+]c(N)c1CN1CC(C)(C#N)C1 ZINC000894971411 583561485 /nfs/dbraw/zinc/56/14/85/583561485.db2.gz XIAKGEZRUCYOPG-UHFFFAOYSA-N 1 2 216.288 1.318 20 30 BDEDLO C#CC[C@@H](NCc1[nH]cc(C(C)C)[nH+]1)C(=O)OC ZINC000894986351 583564352 /nfs/dbraw/zinc/56/43/52/583564352.db2.gz NORCTAPLFJFALM-SNVBAGLBSA-N 1 2 249.314 1.188 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894988230 583565342 /nfs/dbraw/zinc/56/53/42/583565342.db2.gz YRQCROJELFWKJA-RNJOBUHISA-N 1 2 235.327 1.720 20 30 BDEDLO C#CC[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000895192133 583621923 /nfs/dbraw/zinc/62/19/23/583621923.db2.gz XPCUMCYEGKWSFM-LLVKDONJSA-N 1 2 230.315 1.392 20 30 BDEDLO C#CC[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000895192133 583621924 /nfs/dbraw/zinc/62/19/24/583621924.db2.gz XPCUMCYEGKWSFM-LLVKDONJSA-N 1 2 230.315 1.392 20 30 BDEDLO N#CC1(C[NH2+]Cc2cnc[nH]2)CCCCC1 ZINC000895280229 583635751 /nfs/dbraw/zinc/63/57/51/583635751.db2.gz OXXGMIIIEMATSM-UHFFFAOYSA-N 1 2 218.304 1.973 20 30 BDEDLO N#CCC1C[NH+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895343657 583654936 /nfs/dbraw/zinc/65/49/36/583654936.db2.gz IZAMSVWXNNHYMQ-UHFFFAOYSA-N 1 2 243.266 1.879 20 30 BDEDLO N#CCC1C[NH+](Cc2ccc(O)c(F)c2)C1 ZINC000895344133 583655148 /nfs/dbraw/zinc/65/51/48/583655148.db2.gz MCHKBQWWUGHKAA-UHFFFAOYSA-N 1 2 220.247 1.877 20 30 BDEDLO CCn1cc(C[NH2+]CC2(C#N)CCCCC2)nn1 ZINC000895402469 583665082 /nfs/dbraw/zinc/66/50/82/583665082.db2.gz GKZWKORGIFOQSH-UHFFFAOYSA-N 1 2 247.346 1.862 20 30 BDEDLO C#CCCCCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895399577 583665692 /nfs/dbraw/zinc/66/56/92/583665692.db2.gz QXTSCTXNFCWPQV-UHFFFAOYSA-N 1 2 243.372 1.299 20 30 BDEDLO C#CCCCCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000895399577 583665694 /nfs/dbraw/zinc/66/56/94/583665694.db2.gz QXTSCTXNFCWPQV-UHFFFAOYSA-N 1 2 243.372 1.299 20 30 BDEDLO Cn1nc2c(c1C[N@@H+]1CC[C@@](C)(C#N)C1)CCC2 ZINC000895450175 583676072 /nfs/dbraw/zinc/67/60/72/583676072.db2.gz BQTJGUAJHIMOOC-AWEZNQCLSA-N 1 2 244.342 1.644 20 30 BDEDLO Cn1nc2c(c1C[N@H+]1CC[C@@](C)(C#N)C1)CCC2 ZINC000895450175 583676074 /nfs/dbraw/zinc/67/60/74/583676074.db2.gz BQTJGUAJHIMOOC-AWEZNQCLSA-N 1 2 244.342 1.644 20 30 BDEDLO C[C@]1(C#N)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000895451591 583676782 /nfs/dbraw/zinc/67/67/82/583676782.db2.gz ZPPPMNWNNXFLGZ-CYBMUJFWSA-N 1 2 230.315 1.954 20 30 BDEDLO N#Cc1cc(C[N@H+]2CCCN(C=O)CC2)cs1 ZINC000895473321 583679244 /nfs/dbraw/zinc/67/92/44/583679244.db2.gz MSVTXBUSOAOMCE-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO N#Cc1cc(C[N@@H+]2CCCN(C=O)CC2)cs1 ZINC000895473321 583679245 /nfs/dbraw/zinc/67/92/45/583679245.db2.gz MSVTXBUSOAOMCE-UHFFFAOYSA-N 1 2 249.339 1.284 20 30 BDEDLO N#C[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000895649287 583699516 /nfs/dbraw/zinc/69/95/16/583699516.db2.gz KYDIZOXMHYZAPJ-SNVBAGLBSA-N 1 2 227.271 1.469 20 30 BDEDLO C#CC1([NH2+]Cc2csnn2)CCCC1 ZINC000895674605 583704337 /nfs/dbraw/zinc/70/43/37/583704337.db2.gz ABOABMXYYQNLDI-UHFFFAOYSA-N 1 2 207.302 1.574 20 30 BDEDLO C=C1CC(c2noc(CCn3cc[nH+]c3)n2)C1 ZINC000896885391 583846839 /nfs/dbraw/zinc/84/68/39/583846839.db2.gz QBZDGYRMPIKEOH-UHFFFAOYSA-N 1 2 230.271 1.942 20 30 BDEDLO C#CCN(CC#N)Cc1c[nH+]cn1C(C)C ZINC000897164636 583887959 /nfs/dbraw/zinc/88/79/59/583887959.db2.gz XHAOPXJPSMEEIR-UHFFFAOYSA-N 1 2 216.288 1.423 20 30 BDEDLO CC#CC[N@H+](C)Cc1cnn(C)c1Cl ZINC000897169384 583888558 /nfs/dbraw/zinc/88/85/58/583888558.db2.gz OLYLSOUKUCPJKX-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cnn(C)c1Cl ZINC000897169384 583888559 /nfs/dbraw/zinc/88/85/59/583888559.db2.gz OLYLSOUKUCPJKX-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C=CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897444759 583985252 /nfs/dbraw/zinc/98/52/52/583985252.db2.gz QVKJTLREZAOPFD-UHFFFAOYSA-N 1 2 221.304 1.571 20 30 BDEDLO Cc1nc(NCC#C[C@@H]2CCCCO2)cc[nH+]1 ZINC000897456730 583987448 /nfs/dbraw/zinc/98/74/48/583987448.db2.gz KBIFJIFUFUTTGE-LBPRGKRZSA-N 1 2 231.299 1.769 20 30 BDEDLO Cc1cc(NCC#C[C@@H]2CCCCO2)nc[nH+]1 ZINC000897455636 583987491 /nfs/dbraw/zinc/98/74/91/583987491.db2.gz UJSMGHJFIIDQSN-LBPRGKRZSA-N 1 2 231.299 1.769 20 30 BDEDLO C=CC(C)(C)Nc1[nH+]cnc2c1cnn2C ZINC000897533898 584008702 /nfs/dbraw/zinc/00/87/02/584008702.db2.gz ZVRPJVMIQRYQQQ-UHFFFAOYSA-N 1 2 217.276 1.740 20 30 BDEDLO C[C@@]1(C#N)CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000897588383 584023062 /nfs/dbraw/zinc/02/30/62/584023062.db2.gz ACKBPTVUNATAFG-CYBMUJFWSA-N 1 2 246.314 1.332 20 30 BDEDLO C#CC1(O)C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000898143631 584085722 /nfs/dbraw/zinc/08/57/22/584085722.db2.gz HUGXLEVEXZLIJF-UHFFFAOYSA-N 1 2 226.279 1.348 20 30 BDEDLO CC[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214187 584116491 /nfs/dbraw/zinc/11/64/91/584116491.db2.gz LPJJOWNDAVCTPZ-GXSJLCMTSA-N 1 2 234.299 1.685 20 30 BDEDLO CN(CC(C)(C)C#N)c1cc[nH+]c(CO)c1 ZINC000858554132 588965371 /nfs/dbraw/zinc/96/53/71/588965371.db2.gz BYPINBNCEWEVGC-UHFFFAOYSA-N 1 2 219.288 1.560 20 30 BDEDLO CCn1c[nH+]c(/C=C2/C(=O)c3ncnn3[C@H]2C)c1 ZINC000899380804 584209142 /nfs/dbraw/zinc/20/91/42/584209142.db2.gz KZBMTQPRARKHFQ-JVVDXDAESA-N 1 2 243.270 1.335 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)CNc1cccc[nH+]1 ZINC000900469103 584314596 /nfs/dbraw/zinc/31/45/96/584314596.db2.gz DBDVFZNSUQMVOY-JTQLQIEISA-N 1 2 232.287 1.302 20 30 BDEDLO C#CC[C@H](CCOC)Nc1cc(C)[nH+]cc1C#N ZINC000858858482 588979778 /nfs/dbraw/zinc/97/97/78/588979778.db2.gz IOUFTAPJXGJTGW-CYBMUJFWSA-N 1 2 243.310 1.524 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2ccc(C)nn2)c1 ZINC000901188199 584393318 /nfs/dbraw/zinc/39/33/18/584393318.db2.gz CTUVZUQTBQDFCS-UHFFFAOYSA-N 1 2 230.275 1.447 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2oc(C)nc2C#N)c1 ZINC000901170887 584395299 /nfs/dbraw/zinc/39/52/99/584395299.db2.gz SMNXGBDSZIZZMG-UHFFFAOYSA-N 1 2 244.258 1.517 20 30 BDEDLO Cn1nccc1NN=Cc1c[nH+]c2n1CCC2 ZINC000901221091 584399944 /nfs/dbraw/zinc/39/99/44/584399944.db2.gz VNMWFEUFLTXBEP-UHFFFAOYSA-N 1 2 230.275 1.009 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNc1ccnn1C ZINC000901221458 584410987 /nfs/dbraw/zinc/41/09/87/584410987.db2.gz QICZMVYJZGGYRR-UHFFFAOYSA-N 1 2 232.291 1.644 20 30 BDEDLO CCNN=C(C)C[NH+]1Cc2ccccc2C1 ZINC000901281776 584415289 /nfs/dbraw/zinc/41/52/89/584415289.db2.gz XWKNRNHVXXGVAB-UHFFFAOYSA-N 1 2 217.316 1.988 20 30 BDEDLO C(CC[C@@H]1CCO1)=[NH+]n1nnc2c1CCCC2 ZINC000901328420 584423953 /nfs/dbraw/zinc/42/39/53/584423953.db2.gz CGDHGZHIDVOVAV-SNVBAGLBSA-N 1 2 234.303 1.560 20 30 BDEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C)n(C)n1 ZINC000901505758 584455857 /nfs/dbraw/zinc/45/58/57/584455857.db2.gz GOJZZRBDEHCRML-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO Cn1c[nH+]cc1/C=C1\S/C(=N/C2CC2)NC1=O ZINC000901535823 584460302 /nfs/dbraw/zinc/46/03/02/584460302.db2.gz BAXXWKYCKFQESY-WTKPLQERSA-N 1 2 248.311 1.142 20 30 BDEDLO O=C(C=Cc1cn(C2CC2)c[nH+]1)c1c[nH]cn1 ZINC000901541016 584461008 /nfs/dbraw/zinc/46/10/08/584461008.db2.gz RKKWNOVZNYCBQI-DAFODLJHSA-N 1 2 228.255 1.837 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)OCCC(C)C)CC1 ZINC000859083968 588998641 /nfs/dbraw/zinc/99/86/41/588998641.db2.gz ALRPGWGOSMFNMV-UHFFFAOYSA-N 1 2 238.331 1.420 20 30 BDEDLO C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)c2nccn21 ZINC000903105594 584727896 /nfs/dbraw/zinc/72/78/96/584727896.db2.gz FJQAWTIVZVTDHG-UWVGGRQHSA-N 1 2 216.288 1.782 20 30 BDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nccn1C ZINC000903106898 584728524 /nfs/dbraw/zinc/72/85/24/584728524.db2.gz YDVNGWFIXWPHEK-VIFPVBQESA-N 1 2 204.277 1.374 20 30 BDEDLO C[C@H](NCC1(C#N)CC1)c1[nH+]ccn1C ZINC000903106898 584728525 /nfs/dbraw/zinc/72/85/25/584728525.db2.gz YDVNGWFIXWPHEK-VIFPVBQESA-N 1 2 204.277 1.374 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000754128979 584913773 /nfs/dbraw/zinc/91/37/73/584913773.db2.gz XPEHTROKAPHCHG-MDZLAQPJSA-N 1 2 219.332 1.315 20 30 BDEDLO C[C@@H]1C[C@H]1C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000754128979 584913774 /nfs/dbraw/zinc/91/37/74/584913774.db2.gz XPEHTROKAPHCHG-MDZLAQPJSA-N 1 2 219.332 1.315 20 30 BDEDLO CC[C@H](CC#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000762719021 584915086 /nfs/dbraw/zinc/91/50/86/584915086.db2.gz NTPBJHMTDICLGY-SNVBAGLBSA-N 1 2 242.282 1.756 20 30 BDEDLO Clc1cncc(N=NCc2[nH]cc[nH+]2)n1 ZINC000731152184 584922589 /nfs/dbraw/zinc/92/25/89/584922589.db2.gz XTSGQYANMLBQMR-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO C=CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)C ZINC000731211254 584923826 /nfs/dbraw/zinc/92/38/26/584923826.db2.gz CYGJYFLEWIWPDS-UHFFFAOYSA-N 1 2 246.314 1.419 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C/CCC)CC1 ZINC000733161745 584943837 /nfs/dbraw/zinc/94/38/37/584943837.db2.gz YINRKHUESDUSKH-VOTSOKGWSA-N 1 2 220.316 1.120 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)nc1 ZINC000766751890 584944153 /nfs/dbraw/zinc/94/41/53/584944153.db2.gz NZUNHRXWIYYADE-NSHDSACASA-N 1 2 247.273 1.257 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)nc1 ZINC000766751890 584944154 /nfs/dbraw/zinc/94/41/54/584944154.db2.gz NZUNHRXWIYYADE-NSHDSACASA-N 1 2 247.273 1.257 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1ncccn1 ZINC000755632669 584970586 /nfs/dbraw/zinc/97/05/86/584970586.db2.gz ADBFRUZVFNGOCH-UHFFFAOYSA-N 1 2 216.248 1.139 20 30 BDEDLO CON=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612391 584980306 /nfs/dbraw/zinc/98/03/06/584980306.db2.gz JINCTDKZADOOQI-AWEZNQCLSA-N 1 2 248.326 1.910 20 30 BDEDLO CON=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612391 584980307 /nfs/dbraw/zinc/98/03/07/584980307.db2.gz JINCTDKZADOOQI-AWEZNQCLSA-N 1 2 248.326 1.910 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@H](C)c1ccccc1)C(=O)OC ZINC000839167307 585095383 /nfs/dbraw/zinc/09/53/83/585095383.db2.gz FBIGMQHWYOTFTF-JSGCOSHPSA-N 1 2 245.322 1.945 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OC ZINC000839169436 585096076 /nfs/dbraw/zinc/09/60/76/585096076.db2.gz RHZPBLIXMPRCBK-QWRGUYRKSA-N 1 2 223.316 1.720 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(C)c1O ZINC000839189837 585097140 /nfs/dbraw/zinc/09/71/40/585097140.db2.gz YCKWYTGJZULCKU-ZDUSSCGKSA-N 1 2 231.295 1.535 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000839189837 585097141 /nfs/dbraw/zinc/09/71/41/585097141.db2.gz YCKWYTGJZULCKU-ZDUSSCGKSA-N 1 2 231.295 1.535 20 30 BDEDLO C=C(Br)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000839197060 585098956 /nfs/dbraw/zinc/09/89/56/585098956.db2.gz SVJMJNOPCDGTHU-QMMMGPOBSA-N 1 2 244.136 1.979 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000839198169 585099211 /nfs/dbraw/zinc/09/92/11/585099211.db2.gz VHGKFMYSWNYNHX-CQSZACIVSA-N 1 2 244.338 1.587 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000839198169 585099212 /nfs/dbraw/zinc/09/92/12/585099212.db2.gz VHGKFMYSWNYNHX-CQSZACIVSA-N 1 2 244.338 1.587 20 30 BDEDLO C=CCN(CC(=O)OCC)Cc1cc[nH+]c(N)c1 ZINC000839471906 585105181 /nfs/dbraw/zinc/10/51/81/585105181.db2.gz ZWRLDECWLJBFBX-UHFFFAOYSA-N 1 2 249.314 1.215 20 30 BDEDLO CC[N@H+](C)[C@H](C(=O)OCC#N)c1ccccc1 ZINC000741150354 585110546 /nfs/dbraw/zinc/11/05/46/585110546.db2.gz DOTRDQTXNYNMMS-LBPRGKRZSA-N 1 2 232.283 1.746 20 30 BDEDLO CC[N@@H+](C)[C@H](C(=O)OCC#N)c1ccccc1 ZINC000741150354 585110547 /nfs/dbraw/zinc/11/05/47/585110547.db2.gz DOTRDQTXNYNMMS-LBPRGKRZSA-N 1 2 232.283 1.746 20 30 BDEDLO CC[N@H+](C)[C@@H](C(=O)OCC#N)c1ccccc1 ZINC000741150353 585110557 /nfs/dbraw/zinc/11/05/57/585110557.db2.gz DOTRDQTXNYNMMS-GFCCVEGCSA-N 1 2 232.283 1.746 20 30 BDEDLO CC[N@@H+](C)[C@@H](C(=O)OCC#N)c1ccccc1 ZINC000741150353 585110558 /nfs/dbraw/zinc/11/05/58/585110558.db2.gz DOTRDQTXNYNMMS-GFCCVEGCSA-N 1 2 232.283 1.746 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000747690005 585182573 /nfs/dbraw/zinc/18/25/73/585182573.db2.gz CSXXYFZIBYEGJC-ZDUSSCGKSA-N 1 2 244.294 1.428 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000747690005 585182574 /nfs/dbraw/zinc/18/25/74/585182574.db2.gz CSXXYFZIBYEGJC-ZDUSSCGKSA-N 1 2 244.294 1.428 20 30 BDEDLO C[C@H]1CN(C(=O)c2sccc2C#N)CC[N@@H+]1C ZINC000748351514 585191828 /nfs/dbraw/zinc/19/18/28/585191828.db2.gz WFTPEDDQDZQJEM-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@H]1CN(C(=O)c2sccc2C#N)CC[N@H+]1C ZINC000748351514 585191829 /nfs/dbraw/zinc/19/18/29/585191829.db2.gz WFTPEDDQDZQJEM-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000750863871 585220757 /nfs/dbraw/zinc/22/07/57/585220757.db2.gz HOGZMPUXZPQEIE-GFCCVEGCSA-N 1 2 247.342 1.869 20 30 BDEDLO C[C@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@@H+]1C ZINC000752809923 585250511 /nfs/dbraw/zinc/25/05/11/585250511.db2.gz ZLZWOMQSJYSQKF-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C[C@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@H+]1C ZINC000752809923 585250512 /nfs/dbraw/zinc/25/05/12/585250512.db2.gz ZLZWOMQSJYSQKF-VIFPVBQESA-N 1 2 249.339 1.396 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C2\CC[C@@H](C)C2)CC1 ZINC000753607545 585263775 /nfs/dbraw/zinc/26/37/75/585263775.db2.gz PHZBWVYVISJYDB-MNWMYKRDSA-N 1 2 246.354 1.510 20 30 BDEDLO C1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C1 ZINC000753931575 585272213 /nfs/dbraw/zinc/27/22/13/585272213.db2.gz ZZQLFYUJZVNMBW-GHMZBOCLSA-N 1 2 220.320 1.776 20 30 BDEDLO C#CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000754061359 585276982 /nfs/dbraw/zinc/27/69/82/585276982.db2.gz KEFHYJQPJJAXEX-UHFFFAOYSA-N 1 2 213.240 1.453 20 30 BDEDLO Clc1ccc(N=NCc2c[nH+]c[nH]2)nn1 ZINC000755481670 585300500 /nfs/dbraw/zinc/30/05/00/585300500.db2.gz QLUHJOYWENMDCT-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Clc1ccc(N=NCc2c[nH]c[nH+]2)nn1 ZINC000755481670 585300501 /nfs/dbraw/zinc/30/05/01/585300501.db2.gz QLUHJOYWENMDCT-UHFFFAOYSA-N 1 2 222.639 1.299 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1cncc(Cl)n1 ZINC000755641366 585303041 /nfs/dbraw/zinc/30/30/41/585303041.db2.gz XCSIWDILSJALOH-UHFFFAOYSA-N 1 2 236.666 1.310 20 30 BDEDLO Cc1nc(Cl)cc(N=NCc2c[nH+]c[nH]2)n1 ZINC000755741761 585305376 /nfs/dbraw/zinc/30/53/76/585305376.db2.gz BYBFIODOOSXIED-UHFFFAOYSA-N 1 2 236.666 1.608 20 30 BDEDLO Cc1nc(Cl)cc(N=NCc2c[nH]c[nH+]2)n1 ZINC000755741761 585305377 /nfs/dbraw/zinc/30/53/77/585305377.db2.gz BYBFIODOOSXIED-UHFFFAOYSA-N 1 2 236.666 1.608 20 30 BDEDLO Cn1c[nH+]cc1CN=Nc1ncccc1[N+](=O)[O-] ZINC000755768475 585306364 /nfs/dbraw/zinc/30/63/64/585306364.db2.gz IJLKCAVCRPFDFX-UHFFFAOYSA-N 1 2 246.230 1.169 20 30 BDEDLO Cc1[nH+]c[nH]c1CN=Nc1ncccc1[N+](=O)[O-] ZINC000755769606 585306366 /nfs/dbraw/zinc/30/63/66/585306366.db2.gz PEUCNVVWDZSFII-UHFFFAOYSA-N 1 2 246.230 1.467 20 30 BDEDLO C=C[C@H](C)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000757014083 585326956 /nfs/dbraw/zinc/32/69/56/585326956.db2.gz VYFFPTZIFMXDAY-JTQLQIEISA-N 1 2 242.282 1.572 20 30 BDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000757649285 585343570 /nfs/dbraw/zinc/34/35/70/585343570.db2.gz RATVACQYNJWQOA-LLVKDONJSA-N 1 2 224.304 1.172 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)nc1 ZINC000790299638 585389543 /nfs/dbraw/zinc/38/95/43/585389543.db2.gz GUWMJUCSTZKPPA-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO C#CCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000760848397 585399538 /nfs/dbraw/zinc/39/95/38/585399538.db2.gz YBCBVPKOGCDEGW-OLZOCXBDSA-N 1 2 249.310 1.427 20 30 BDEDLO C#CCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000760848397 585399539 /nfs/dbraw/zinc/39/95/39/585399539.db2.gz YBCBVPKOGCDEGW-OLZOCXBDSA-N 1 2 249.310 1.427 20 30 BDEDLO N#CCCN1CC[NH+](C/C=C/Cl)CC1 ZINC000760945507 585402284 /nfs/dbraw/zinc/40/22/84/585402284.db2.gz ZCVWVBRUTJTUQX-HNQUOIGGSA-N 1 2 213.712 1.270 20 30 BDEDLO Cc1nc(C)c(C=NNc2[nH+]ccn2C)s1 ZINC000790305729 585417535 /nfs/dbraw/zinc/41/75/35/585417535.db2.gz NRNYPLMEZUPPNQ-UHFFFAOYSA-N 1 2 235.316 1.939 20 30 BDEDLO C[C@H]1C[C@H]1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854856 585420596 /nfs/dbraw/zinc/42/05/96/585420596.db2.gz IDSYTUTVEFFKIO-UWVGGRQHSA-N 1 2 242.286 1.716 20 30 BDEDLO Cc1nc(N2CCN(CC#N)CC2)c(C)c(C)[nH+]1 ZINC000761889259 585422279 /nfs/dbraw/zinc/42/22/79/585422279.db2.gz NQAHCQCWBVDSEG-UHFFFAOYSA-N 1 2 245.330 1.047 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702420 585453031 /nfs/dbraw/zinc/45/30/31/585453031.db2.gz YCCZQNSHCQHSQJ-ZJUUUORDSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702420 585453032 /nfs/dbraw/zinc/45/30/32/585453032.db2.gz YCCZQNSHCQHSQJ-ZJUUUORDSA-N 1 2 222.288 1.316 20 30 BDEDLO CC#CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000763953867 585457543 /nfs/dbraw/zinc/45/75/43/585457543.db2.gz VBHCOPGCKRWHIX-UHFFFAOYSA-N 1 2 241.294 1.484 20 30 BDEDLO Nc1ncccc1C=[NH+]Nc1ccncc1Cl ZINC000764696384 585471194 /nfs/dbraw/zinc/47/11/94/585471194.db2.gz KBQUISXUWATKLF-UHFFFAOYSA-N 1 2 247.689 1.580 20 30 BDEDLO C#CCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000765070637 585480556 /nfs/dbraw/zinc/48/05/56/585480556.db2.gz AYDAOYOHZXXHNO-UHFFFAOYSA-N 1 2 242.322 1.749 20 30 BDEDLO C#CCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000765070637 585480557 /nfs/dbraw/zinc/48/05/57/585480557.db2.gz AYDAOYOHZXXHNO-UHFFFAOYSA-N 1 2 242.322 1.749 20 30 BDEDLO C#CCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000766743586 585507883 /nfs/dbraw/zinc/50/78/83/585507883.db2.gz NBZSMDAESQEMPT-UHFFFAOYSA-N 1 2 220.247 1.876 20 30 BDEDLO C#CCC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000767645658 585523564 /nfs/dbraw/zinc/52/35/64/585523564.db2.gz ATCYGIXAXXZOMM-UHFFFAOYSA-N 1 2 220.272 1.476 20 30 BDEDLO CC#CCCO[NH+]=C(N)COC(C)(C)C ZINC000768935127 585546487 /nfs/dbraw/zinc/54/64/87/585546487.db2.gz SIBNZLZUMGALJD-UHFFFAOYSA-N 1 2 212.293 1.713 20 30 BDEDLO C[C@H](CO)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000769894551 585566279 /nfs/dbraw/zinc/56/62/79/585566279.db2.gz UTMXRHKSNCAIIO-QWRGUYRKSA-N 1 2 210.321 1.629 20 30 BDEDLO C[C@H](CO)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000769894551 585566280 /nfs/dbraw/zinc/56/62/80/585566280.db2.gz UTMXRHKSNCAIIO-QWRGUYRKSA-N 1 2 210.321 1.629 20 30 BDEDLO C=CC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000771638719 585598103 /nfs/dbraw/zinc/59/81/03/585598103.db2.gz DRGRQCMWIUWOLD-UHFFFAOYSA-N 1 2 222.248 1.399 20 30 BDEDLO C=CC[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000771638719 585598104 /nfs/dbraw/zinc/59/81/04/585598104.db2.gz DRGRQCMWIUWOLD-UHFFFAOYSA-N 1 2 222.248 1.399 20 30 BDEDLO COc1cccc(O)c1/C=[NH+]/CCC(C)(C)O ZINC000773908018 585646345 /nfs/dbraw/zinc/64/63/45/585646345.db2.gz XWNXVEIAGNEJPJ-NTEUORMPSA-N 1 2 237.299 1.981 20 30 BDEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC1(CC#N)CC1 ZINC000774120218 585650973 /nfs/dbraw/zinc/65/09/73/585650973.db2.gz QKPBTQHNWUIUAZ-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC1(CC#N)CC1 ZINC000774120218 585650974 /nfs/dbraw/zinc/65/09/74/585650974.db2.gz QKPBTQHNWUIUAZ-NSHDSACASA-N 1 2 236.315 1.708 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774154736 585651965 /nfs/dbraw/zinc/65/19/65/585651965.db2.gz BGNVZONBSVQQHU-ZJUUUORDSA-N 1 2 210.277 1.316 20 30 BDEDLO CC[C@H](C#N)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774154736 585651966 /nfs/dbraw/zinc/65/19/66/585651966.db2.gz BGNVZONBSVQQHU-ZJUUUORDSA-N 1 2 210.277 1.316 20 30 BDEDLO Cc1ccc(CCC=NN2CCCC2=O)c[nH+]1 ZINC000774396979 585657373 /nfs/dbraw/zinc/65/73/73/585657373.db2.gz UNFGGNAGBGTMHB-UHFFFAOYSA-N 1 2 231.299 1.931 20 30 BDEDLO C#C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCCO1 ZINC000775789787 585685026 /nfs/dbraw/zinc/68/50/26/585685026.db2.gz NRQWLNNLKANPRI-NWDGAFQWSA-N 1 2 246.310 1.822 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1nccn1C(C)C)[C@@H]1CCCO1 ZINC000775800498 585685503 /nfs/dbraw/zinc/68/55/03/585685503.db2.gz SRPLJADHROYLAH-OLZOCXBDSA-N 1 2 247.342 1.734 20 30 BDEDLO C#CCCN1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000776594033 585702124 /nfs/dbraw/zinc/70/21/24/585702124.db2.gz RPSFUVXKEXFFRH-CQSZACIVSA-N 1 2 243.354 1.784 20 30 BDEDLO N#CCN(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000776859936 585706194 /nfs/dbraw/zinc/70/61/94/585706194.db2.gz MMVLPEDIGFRUCD-UHFFFAOYSA-N 1 2 240.266 1.462 20 30 BDEDLO C#CC[N@@H+](Cc1cncc(OC)n1)C1CC1 ZINC000859252606 589024798 /nfs/dbraw/zinc/02/47/98/589024798.db2.gz PEOUNGMCUVMBQT-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C#CC[N@H+](Cc1cncc(OC)n1)C1CC1 ZINC000859252606 589024800 /nfs/dbraw/zinc/02/48/00/589024800.db2.gz PEOUNGMCUVMBQT-UHFFFAOYSA-N 1 2 217.272 1.083 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000777543980 585714883 /nfs/dbraw/zinc/71/48/83/585714883.db2.gz BBCRSGIEXFDWGA-NEPJUHHUSA-N 1 2 222.332 1.853 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000777543980 585714884 /nfs/dbraw/zinc/71/48/84/585714884.db2.gz BBCRSGIEXFDWGA-NEPJUHHUSA-N 1 2 222.332 1.853 20 30 BDEDLO C#CCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094467 585745058 /nfs/dbraw/zinc/74/50/58/585745058.db2.gz CIXWEZLECCCGCG-LBPRGKRZSA-N 1 2 245.326 1.508 20 30 BDEDLO C#CCCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094405 585745180 /nfs/dbraw/zinc/74/51/80/585745180.db2.gz CIXWEZLECCCGCG-GFCCVEGCSA-N 1 2 245.326 1.508 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)nc1 ZINC000779153060 585745769 /nfs/dbraw/zinc/74/57/69/585745769.db2.gz DUKHODCOTPPFCE-SECBINFHSA-N 1 2 207.252 1.812 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)nc1 ZINC000779153060 585745770 /nfs/dbraw/zinc/74/57/70/585745770.db2.gz DUKHODCOTPPFCE-SECBINFHSA-N 1 2 207.252 1.812 20 30 BDEDLO CC1(C#N)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000779878278 585769416 /nfs/dbraw/zinc/76/94/16/585769416.db2.gz FCCOUUSMHUWHHV-UHFFFAOYSA-N 1 2 249.274 1.374 20 30 BDEDLO C[C@@H](C#N)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780093658 585772393 /nfs/dbraw/zinc/77/23/93/585772393.db2.gz ZGZKAVAUYSLJHP-JQWIXIFHSA-N 1 2 232.283 1.745 20 30 BDEDLO C(=NN[C@H]1CCCOC1)c1cccc2[nH+]ccn21 ZINC000780261374 585775808 /nfs/dbraw/zinc/77/58/08/585775808.db2.gz ILTNGHPIXLPABL-NSHDSACASA-N 1 2 244.298 1.437 20 30 BDEDLO CC[C@@H](C#N)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000781198411 585792929 /nfs/dbraw/zinc/79/29/29/585792929.db2.gz URKOYNDQAOEKII-UWVGGRQHSA-N 1 2 242.344 1.269 20 30 BDEDLO N#CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000781571284 585799121 /nfs/dbraw/zinc/79/91/21/585799121.db2.gz APAYBIQXSIEHQS-UHFFFAOYSA-N 1 2 249.274 1.374 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccnc(N(C)C)c1 ZINC000782173947 585809488 /nfs/dbraw/zinc/80/94/88/585809488.db2.gz ARBRJBCYZFVHBW-UHFFFAOYSA-N 1 2 232.331 1.883 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccnc(N(C)C)c1 ZINC000782173947 585809489 /nfs/dbraw/zinc/80/94/89/585809489.db2.gz ARBRJBCYZFVHBW-UHFFFAOYSA-N 1 2 232.331 1.883 20 30 BDEDLO CC#CCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783151001 585828208 /nfs/dbraw/zinc/82/82/08/585828208.db2.gz HVXNVUBMXFJURQ-UHFFFAOYSA-N 1 2 220.247 1.890 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2=CCCCC2)CC1 ZINC000783624799 585838590 /nfs/dbraw/zinc/83/85/90/585838590.db2.gz GUPYAFLQWVTQFB-UHFFFAOYSA-N 1 2 232.327 1.264 20 30 BDEDLO CC(N=Nc1ncccn1)c1[nH]cc[nH+]1 ZINC000790153199 585958822 /nfs/dbraw/zinc/95/88/22/585958822.db2.gz FELNMLPYCCPRHE-UHFFFAOYSA-N 1 2 202.221 1.036 20 30 BDEDLO CC(N=Nc1nccnc1Cl)c1[nH]cc[nH+]1 ZINC000790164122 585959072 /nfs/dbraw/zinc/95/90/72/585959072.db2.gz LRBVYNRXBKXUIC-UHFFFAOYSA-N 1 2 236.666 1.689 20 30 BDEDLO Cc1ccc(C=NNc2[nH+]ccn2C)cn1 ZINC000790300471 585962654 /nfs/dbraw/zinc/96/26/54/585962654.db2.gz YYUGCBFNPJXEAN-UHFFFAOYSA-N 1 2 215.260 1.570 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1cnc(C)nc1C ZINC000790300604 585962736 /nfs/dbraw/zinc/96/27/36/585962736.db2.gz WHHZPZMAJSYLOE-UHFFFAOYSA-N 1 2 244.302 1.663 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccsc1 ZINC000790301510 585963089 /nfs/dbraw/zinc/96/30/89/585963089.db2.gz DWIFXXAJJRWDIK-UHFFFAOYSA-N 1 2 206.274 1.928 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccncc1 ZINC000790306339 585963360 /nfs/dbraw/zinc/96/33/60/585963360.db2.gz YDHWPGBUMKUVLN-UHFFFAOYSA-N 1 2 201.233 1.261 20 30 BDEDLO C#C[C@H](CCC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000791745189 585987315 /nfs/dbraw/zinc/98/73/15/585987315.db2.gz KFHTWOMNTFIPFX-NWDGAFQWSA-N 1 2 245.326 1.364 20 30 BDEDLO CC(C)(C#N)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792183793 585997124 /nfs/dbraw/zinc/99/71/24/585997124.db2.gz PQRAWNQYLXFGPA-UHFFFAOYSA-N 1 2 233.271 1.647 20 30 BDEDLO CC[C@H]1CC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000793811892 586026923 /nfs/dbraw/zinc/02/69/23/586026923.db2.gz YIONSNCHPPFJML-NSHDSACASA-N 1 2 231.299 1.470 20 30 BDEDLO CC[C@H]1CC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000793811892 586026924 /nfs/dbraw/zinc/02/69/24/586026924.db2.gz YIONSNCHPPFJML-NSHDSACASA-N 1 2 231.299 1.470 20 30 BDEDLO C#C[C@@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000793855388 586027952 /nfs/dbraw/zinc/02/79/52/586027952.db2.gz HSIQQLZDAPTDTK-SECBINFHSA-N 1 2 241.294 1.633 20 30 BDEDLO CC(N=Nc1cncnc1)c1[nH]cc[nH+]1 ZINC000794977055 586060682 /nfs/dbraw/zinc/06/06/82/586060682.db2.gz UIHDNUSDDSVNDZ-UHFFFAOYSA-N 1 2 202.221 1.036 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1ncccc1F ZINC000794985095 586061635 /nfs/dbraw/zinc/06/16/35/586061635.db2.gz PXAGCYAMCQLZNZ-UHFFFAOYSA-N 1 2 233.250 1.883 20 30 BDEDLO Cn1c[nH+]cc1COC(=O)c1ccc(C#N)o1 ZINC000796941492 586117658 /nfs/dbraw/zinc/11/76/58/586117658.db2.gz BYMYGYMIXPQGEN-UHFFFAOYSA-N 1 2 231.211 1.242 20 30 BDEDLO CC1=C[C@H](C)C[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000797416089 586126585 /nfs/dbraw/zinc/12/65/85/586126585.db2.gz GLSJNHCFDSZGLO-NSHDSACASA-N 1 2 243.310 1.575 20 30 BDEDLO CC1=C[C@H](C)C[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000797416089 586126586 /nfs/dbraw/zinc/12/65/86/586126586.db2.gz GLSJNHCFDSZGLO-NSHDSACASA-N 1 2 243.310 1.575 20 30 BDEDLO C#CCn1cc(CNc2cc(C)[nH+]cn2)cn1 ZINC000798214992 586140978 /nfs/dbraw/zinc/14/09/78/586140978.db2.gz RIOFIVROMDBIOV-UHFFFAOYSA-N 1 2 227.271 1.227 20 30 BDEDLO C#C[C@@H](Nc1cc(-n2cc[nH+]c2)ncn1)C(C)C ZINC000798408946 586143383 /nfs/dbraw/zinc/14/33/83/586143383.db2.gz NEOQHXUZHRMKCC-LLVKDONJSA-N 1 2 241.298 1.732 20 30 BDEDLO N#CC1(c2ccccn2)CC[NH+](CCF)CC1 ZINC000800409905 586218421 /nfs/dbraw/zinc/21/84/21/586218421.db2.gz CAXNASRKVXMETB-UHFFFAOYSA-N 1 2 233.290 1.908 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccco2)c1 ZINC000800795079 586229407 /nfs/dbraw/zinc/22/94/07/586229407.db2.gz YBASVFZFDABDHA-SNAWJCMRSA-N 1 2 202.213 1.909 20 30 BDEDLO Cc1[nH+]c(C(C)N=Nc2ncccn2)cn1C ZINC000800810563 586230940 /nfs/dbraw/zinc/23/09/40/586230940.db2.gz UOVDWIFDZPAGNM-UHFFFAOYSA-N 1 2 230.275 1.355 20 30 BDEDLO CC(=NNC1CCOCC1)c1cn(C)c(C)[nH+]1 ZINC000800813922 586231638 /nfs/dbraw/zinc/23/16/38/586231638.db2.gz MMINPRZGKVLWHJ-UHFFFAOYSA-N 1 2 236.319 1.221 20 30 BDEDLO COC(=O)[C@@H]([NH2+]CCO[C@H](C)C#N)C(C)(C)C ZINC000801934881 586278217 /nfs/dbraw/zinc/27/82/17/586278217.db2.gz SYWUAUZQDXWKPW-NXEZZACHSA-N 1 2 242.319 1.092 20 30 BDEDLO CC(C)C[N@H+](CCC#N)CN1CC[C@H](C)C1=O ZINC000839966839 586304975 /nfs/dbraw/zinc/30/49/75/586304975.db2.gz JSMSRNVVNTUPGH-LBPRGKRZSA-N 1 2 237.347 1.684 20 30 BDEDLO CC(C)C[N@@H+](CCC#N)CN1CC[C@H](C)C1=O ZINC000839966839 586304977 /nfs/dbraw/zinc/30/49/77/586304977.db2.gz JSMSRNVVNTUPGH-LBPRGKRZSA-N 1 2 237.347 1.684 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)OCCn1cc[nH+]c1 ZINC000802815148 586316244 /nfs/dbraw/zinc/31/62/44/586316244.db2.gz MTAUOIHGPDYDSD-NSHDSACASA-N 1 2 221.260 1.366 20 30 BDEDLO C=CCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804338207 586392351 /nfs/dbraw/zinc/39/23/51/586392351.db2.gz JBVJHSAJGIBFAA-LLVKDONJSA-N 1 2 233.315 1.670 20 30 BDEDLO C[C@H]1C(=O)N(C[NH+]2CCC(C)(C#N)CC2)C[C@H]1C ZINC000840041787 586393459 /nfs/dbraw/zinc/39/34/59/586393459.db2.gz MBUQMDALRILHCO-VXGBXAGGSA-N 1 2 249.358 1.684 20 30 BDEDLO Cn1cnc(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000808392078 586470983 /nfs/dbraw/zinc/47/09/83/586470983.db2.gz WVUNRNDXKUADDM-UHFFFAOYSA-N 1 2 244.273 1.721 20 30 BDEDLO C=C(C)CNN=Cc1cccc2[nH+]ccn21 ZINC000811650615 586563041 /nfs/dbraw/zinc/56/30/41/586563041.db2.gz IHECJMLJXWGOFY-UHFFFAOYSA-N 1 2 214.272 1.834 20 30 BDEDLO CN(Cc1cc(C#N)cs1)Cc1[nH]cc[nH+]1 ZINC000813328108 586600642 /nfs/dbraw/zinc/60/06/42/586600642.db2.gz NRGLWBIFYUJQOG-UHFFFAOYSA-N 1 2 232.312 1.975 20 30 BDEDLO C#CCCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000813376563 586601540 /nfs/dbraw/zinc/60/15/40/586601540.db2.gz PQHKWDJCQYBKNX-CYBMUJFWSA-N 1 2 235.331 1.140 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(F)(F)F ZINC000813813162 586606808 /nfs/dbraw/zinc/60/68/08/586606808.db2.gz LHPCVPBHAPNDET-BDAKNGLRSA-N 1 2 248.248 1.151 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(F)(F)F ZINC000813813162 586606809 /nfs/dbraw/zinc/60/68/09/586606809.db2.gz LHPCVPBHAPNDET-BDAKNGLRSA-N 1 2 248.248 1.151 20 30 BDEDLO CCC(CC)CN[NH+]=Cc1cn(C)[nH]c1=O ZINC000814226887 586618354 /nfs/dbraw/zinc/61/83/54/586618354.db2.gz MHKRRKABMVGMJK-UHFFFAOYSA-N 1 2 224.308 1.485 20 30 BDEDLO C=C[C@@H](O)C(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000814541994 586624188 /nfs/dbraw/zinc/62/41/88/586624188.db2.gz VKXIDBAGBYTGOC-LLVKDONJSA-N 1 2 246.266 1.233 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(F)cn1 ZINC000814842705 586638298 /nfs/dbraw/zinc/63/82/98/586638298.db2.gz PETQRNJJAFJABI-UHFFFAOYSA-N 1 2 248.265 1.291 20 30 BDEDLO N#CC1(CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000815920230 586697679 /nfs/dbraw/zinc/69/76/79/586697679.db2.gz CLIAVSUBVXVUSU-SNVBAGLBSA-N 1 2 244.298 1.767 20 30 BDEDLO C#CCC(C)(C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000816576038 586742165 /nfs/dbraw/zinc/74/21/65/586742165.db2.gz HFBYJZBWZHVXJS-UHFFFAOYSA-N 1 2 246.314 1.033 20 30 BDEDLO C#Cc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000816838927 586767447 /nfs/dbraw/zinc/76/74/47/586767447.db2.gz OPMPFLBDUXXTHC-UHFFFAOYSA-N 1 2 242.322 1.948 20 30 BDEDLO N#CCc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816841440 586767554 /nfs/dbraw/zinc/76/75/54/586767554.db2.gz FKYLCBYGXBZTAD-UHFFFAOYSA-N 1 2 240.266 1.657 20 30 BDEDLO C#CCNC(=S)NCc1cc(C)[nH+]c(C)c1 ZINC000817562955 586811489 /nfs/dbraw/zinc/81/14/89/586811489.db2.gz RPTVFKRDVHUQIF-UHFFFAOYSA-N 1 2 233.340 1.296 20 30 BDEDLO C#CCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000859962492 589073720 /nfs/dbraw/zinc/07/37/20/589073720.db2.gz BTOGCSMNEGROOD-UHFFFAOYSA-N 1 2 211.305 1.720 20 30 BDEDLO Cc1[nH+]ccn1-c1ccc(CNCCC#N)cn1 ZINC000818967932 586918401 /nfs/dbraw/zinc/91/84/01/586918401.db2.gz FPEOQPSNHNSFJK-UHFFFAOYSA-N 1 2 241.298 1.579 20 30 BDEDLO Nc1cnccc1C=[NH+]OCC(F)(F)F ZINC000819808334 586995955 /nfs/dbraw/zinc/99/59/55/586995955.db2.gz BJEHZCMXVGVPAC-UHFFFAOYSA-N 1 2 219.166 1.577 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820114936 587022743 /nfs/dbraw/zinc/02/27/43/587022743.db2.gz DFYOKGJLKVBQAT-HTQZYQBOSA-N 1 2 225.679 1.382 20 30 BDEDLO C=C(Cl)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820114936 587022745 /nfs/dbraw/zinc/02/27/45/587022745.db2.gz DFYOKGJLKVBQAT-HTQZYQBOSA-N 1 2 225.679 1.382 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820521019 587052390 /nfs/dbraw/zinc/05/23/90/587052390.db2.gz NDFWHSTVDCPXTG-AATRIKPKSA-N 1 2 246.314 1.441 20 30 BDEDLO C#CC[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000820580927 587055720 /nfs/dbraw/zinc/05/57/20/587055720.db2.gz HEXFDMUPDQZCEN-SNVBAGLBSA-N 1 2 219.288 1.396 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2nonc2c1 ZINC000821368624 587112659 /nfs/dbraw/zinc/11/26/59/587112659.db2.gz PMPXQKLUSCROMK-VIFPVBQESA-N 1 2 230.271 1.814 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000821368624 587112660 /nfs/dbraw/zinc/11/26/60/587112660.db2.gz PMPXQKLUSCROMK-VIFPVBQESA-N 1 2 230.271 1.814 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000822472626 587170154 /nfs/dbraw/zinc/17/01/54/587170154.db2.gz MJZIJSPYZDPPCT-LLVKDONJSA-N 1 2 241.294 1.736 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)CC)CC1 ZINC000823305617 587215228 /nfs/dbraw/zinc/21/52/28/587215228.db2.gz KTZZQQMIBSNRDB-VAWYXSNFSA-N 1 2 220.316 1.120 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000823306459 587215344 /nfs/dbraw/zinc/21/53/44/587215344.db2.gz UGRJZFLCXCMLQI-HIFRSBDPSA-N 1 2 248.370 1.590 20 30 BDEDLO C#CCC[NH+]1CCN(C(C)(C)COC)CC1 ZINC000823455620 587223220 /nfs/dbraw/zinc/22/32/20/587223220.db2.gz JZFNOIJIAWKVIK-UHFFFAOYSA-N 1 2 224.348 1.052 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000823793821 587240587 /nfs/dbraw/zinc/24/05/87/587240587.db2.gz TTYJTJRCKLFWQL-ZJUUUORDSA-N 1 2 234.303 1.144 20 30 BDEDLO C#CC1CCN(C(=O)Cc2[nH]cc(CC)[nH+]2)CC1 ZINC000824036081 587250518 /nfs/dbraw/zinc/25/05/18/587250518.db2.gz GSHDTQXKWSXWLC-UHFFFAOYSA-N 1 2 245.326 1.386 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nn(CC)nc1C ZINC000824297218 587265569 /nfs/dbraw/zinc/26/55/69/587265569.db2.gz RKOMDGIUBBOFEW-VIFPVBQESA-N 1 2 206.293 1.060 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nn(CC)nc1C ZINC000824297218 587265571 /nfs/dbraw/zinc/26/55/71/587265571.db2.gz RKOMDGIUBBOFEW-VIFPVBQESA-N 1 2 206.293 1.060 20 30 BDEDLO N#CCC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000825003358 587298183 /nfs/dbraw/zinc/29/81/83/587298183.db2.gz JDWPPYHXYFPGTF-UHFFFAOYSA-N 1 2 240.266 1.549 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000826075086 587350481 /nfs/dbraw/zinc/35/04/81/587350481.db2.gz OTGJUIYNIDOYCT-LLVKDONJSA-N 1 2 247.342 1.938 20 30 BDEDLO C=CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000826075086 587350482 /nfs/dbraw/zinc/35/04/82/587350482.db2.gz OTGJUIYNIDOYCT-LLVKDONJSA-N 1 2 247.342 1.938 20 30 BDEDLO Cc1ccc(-c2nn[nH]n2)c(NCCCC#N)[nH+]1 ZINC000826276060 587351900 /nfs/dbraw/zinc/35/19/00/587351900.db2.gz SOZHMXICQUTKMV-UHFFFAOYSA-N 1 2 243.274 1.286 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000827165534 587371617 /nfs/dbraw/zinc/37/16/17/587371617.db2.gz GOXLHRWHRCPJJB-LLVKDONJSA-N 1 2 232.283 1.097 20 30 BDEDLO CC(C)C#CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000828405729 587440534 /nfs/dbraw/zinc/44/05/34/587440534.db2.gz ZZHZINZSRLJGEL-GFCCVEGCSA-N 1 2 233.315 1.295 20 30 BDEDLO C#CC[C@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000829778411 587515427 /nfs/dbraw/zinc/51/54/27/587515427.db2.gz BWGHIHXYCJUTSE-NSHDSACASA-N 1 2 233.315 1.867 20 30 BDEDLO C#CC[C@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000829778411 587515428 /nfs/dbraw/zinc/51/54/28/587515428.db2.gz BWGHIHXYCJUTSE-NSHDSACASA-N 1 2 233.315 1.867 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000831137503 587587360 /nfs/dbraw/zinc/58/73/60/587587360.db2.gz QDOWXSPSKLDGER-VIFPVBQESA-N 1 2 232.287 1.103 20 30 BDEDLO C#CCC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832384711 587657229 /nfs/dbraw/zinc/65/72/29/587657229.db2.gz QEWHSCSSTFSEBA-UHFFFAOYSA-N 1 2 238.356 1.826 20 30 BDEDLO C#CCC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832384711 587657230 /nfs/dbraw/zinc/65/72/30/587657230.db2.gz QEWHSCSSTFSEBA-UHFFFAOYSA-N 1 2 238.356 1.826 20 30 BDEDLO CCCCCCCN1CC[N@H+](CCO)C[C@H]1C ZINC000832783203 587689509 /nfs/dbraw/zinc/68/95/09/587689509.db2.gz OYAHUVMNGZYVAE-CQSZACIVSA-N 1 2 242.407 1.955 20 30 BDEDLO CCCCCCCN1CC[N@@H+](CCO)C[C@H]1C ZINC000832783203 587689510 /nfs/dbraw/zinc/68/95/10/587689510.db2.gz OYAHUVMNGZYVAE-CQSZACIVSA-N 1 2 242.407 1.955 20 30 BDEDLO CN(C)c1[nH]c(=NNC=C2CC2(F)F)cc[nH+]1 ZINC000834958900 587772488 /nfs/dbraw/zinc/77/24/88/587772488.db2.gz HZUCYAFULPOHGG-SSDOTTSWSA-N 1 2 241.245 1.596 20 30 BDEDLO CCCCON=C(N)C[NH+]1CCSCC1 ZINC000121429281 587816208 /nfs/dbraw/zinc/81/62/08/587816208.db2.gz GSDLLFXGCDNPOW-UHFFFAOYSA-N 1 2 231.365 1.124 20 30 BDEDLO C#CCCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000836950317 587843677 /nfs/dbraw/zinc/84/36/77/587843677.db2.gz SFYRJUWJMJTCJG-LLVKDONJSA-N 1 2 233.315 1.884 20 30 BDEDLO C=CC(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000837865224 587901049 /nfs/dbraw/zinc/90/10/49/587901049.db2.gz WYDTXVJXGXDQJM-UHFFFAOYSA-N 1 2 227.304 1.074 20 30 BDEDLO CC(C)CON=CC(C)(C)[NH+]1CCOCC1 ZINC000841634603 587963440 /nfs/dbraw/zinc/96/34/40/587963440.db2.gz ZYYDKUWVDFQCTB-UHFFFAOYSA-N 1 2 228.336 1.756 20 30 BDEDLO CCn1c[nH+]cc1C=NN[C@H]1CCSC1 ZINC000841638842 587964688 /nfs/dbraw/zinc/96/46/88/587964688.db2.gz ZHYULKMBSFVFGR-VIFPVBQESA-N 1 2 224.333 1.332 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000842154374 588003294 /nfs/dbraw/zinc/00/32/94/588003294.db2.gz SRHLIRDDWRCLEZ-IONNQARKSA-N 1 2 205.286 1.609 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000842154374 588003296 /nfs/dbraw/zinc/00/32/96/588003296.db2.gz SRHLIRDDWRCLEZ-IONNQARKSA-N 1 2 205.286 1.609 20 30 BDEDLO CC[C@@H](C)CO[NH+]=Cc1cnc(N)nc1N ZINC000842532679 588034741 /nfs/dbraw/zinc/03/47/41/588034741.db2.gz AWRRNUHMEPELRL-SSDOTTSWSA-N 1 2 223.280 1.038 20 30 BDEDLO CC[C@@H](C)CON=Cc1c[nH+]c(N)nc1N ZINC000842532679 588034743 /nfs/dbraw/zinc/03/47/43/588034743.db2.gz AWRRNUHMEPELRL-SSDOTTSWSA-N 1 2 223.280 1.038 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNC12CC(C1)C2 ZINC000842544863 588039613 /nfs/dbraw/zinc/03/96/13/588039613.db2.gz LFTXDMYCNFHKCB-UHFFFAOYSA-N 1 2 218.304 1.940 20 30 BDEDLO C=CCC(C)(C)c1noc(C[NH2+]CCOC)n1 ZINC000843234827 588095029 /nfs/dbraw/zinc/09/50/29/588095029.db2.gz JSRSJBBXEIVMEA-UHFFFAOYSA-N 1 2 239.319 1.659 20 30 BDEDLO C#CC[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000844004823 588155126 /nfs/dbraw/zinc/15/51/26/588155126.db2.gz GMEBNIPNRRVKPI-GFCCVEGCSA-N 1 2 245.326 1.523 20 30 BDEDLO C#CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000844138589 588170034 /nfs/dbraw/zinc/17/00/34/588170034.db2.gz IMQMQJLMLBTWMX-LLVKDONJSA-N 1 2 243.310 1.070 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844526250 588200360 /nfs/dbraw/zinc/20/03/60/588200360.db2.gz DIQNYFBCEDHLQH-JTQLQIEISA-N 1 2 245.273 1.158 20 30 BDEDLO CCC/C(C)=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844529127 588200616 /nfs/dbraw/zinc/20/06/16/588200616.db2.gz NTUBQMHHBMZLGD-ZWXCPPHNSA-N 1 2 237.347 1.693 20 30 BDEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CC1 ZINC000844527767 588200676 /nfs/dbraw/zinc/20/06/76/588200676.db2.gz BUWRDJCPAJJDGH-MFKMUULPSA-N 1 2 237.347 1.383 20 30 BDEDLO CC#CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845281817 588225489 /nfs/dbraw/zinc/22/54/89/588225489.db2.gz KZNFLWBUOKYSCU-JTQLQIEISA-N 1 2 206.245 1.401 20 30 BDEDLO C#CCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845287026 588225918 /nfs/dbraw/zinc/22/59/18/588225918.db2.gz ZFUYEOBBBJLYNL-SNVBAGLBSA-N 1 2 206.245 1.401 20 30 BDEDLO C#C[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845479313 588230003 /nfs/dbraw/zinc/23/00/03/588230003.db2.gz JSLWUOJPHREXLL-ZJUUUORDSA-N 1 2 206.245 1.399 20 30 BDEDLO C[C@H](CC(=O)OC(C)(C)C#N)n1cc[nH+]c1 ZINC000845490975 588230446 /nfs/dbraw/zinc/23/04/46/588230446.db2.gz ZXRPFDRJIZSUQY-SECBINFHSA-N 1 2 221.260 1.680 20 30 BDEDLO C[C@@H](CC(=O)NC1=NO[C@H](C)C1)n1cc[nH+]c1 ZINC000845900094 588249764 /nfs/dbraw/zinc/24/97/64/588249764.db2.gz PGYQREPZXRYCFD-DTWKUNHWSA-N 1 2 236.275 1.073 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(CCC=C)nn1 ZINC000846878347 588295054 /nfs/dbraw/zinc/29/50/54/588295054.db2.gz HXZJSDNWLUGKBG-NSHDSACASA-N 1 2 218.304 1.308 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(CCC=C)nn1 ZINC000846878347 588295055 /nfs/dbraw/zinc/29/50/55/588295055.db2.gz HXZJSDNWLUGKBG-NSHDSACASA-N 1 2 218.304 1.308 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000847021776 588302610 /nfs/dbraw/zinc/30/26/10/588302610.db2.gz PBKMOKMPIIPHMB-NSHDSACASA-N 1 2 245.326 1.590 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000847022230 588302985 /nfs/dbraw/zinc/30/29/85/588302985.db2.gz GFSSXRZAARFQQA-JTQLQIEISA-N 1 2 231.299 1.792 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000847022230 588302986 /nfs/dbraw/zinc/30/29/86/588302986.db2.gz GFSSXRZAARFQQA-JTQLQIEISA-N 1 2 231.299 1.792 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(CCC)no2)C1 ZINC000847032881 588304452 /nfs/dbraw/zinc/30/44/52/588304452.db2.gz YUUUXXGXGRZPBL-NSHDSACASA-N 1 2 233.315 1.867 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(CCC)no2)C1 ZINC000847032881 588304453 /nfs/dbraw/zinc/30/44/53/588304453.db2.gz YUUUXXGXGRZPBL-NSHDSACASA-N 1 2 233.315 1.867 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847509218 588314650 /nfs/dbraw/zinc/31/46/50/588314650.db2.gz BVHCHPADFHXCJR-SSDOTTSWSA-N 1 2 227.695 1.457 20 30 BDEDLO C=C(Cl)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847509218 588314652 /nfs/dbraw/zinc/31/46/52/588314652.db2.gz BVHCHPADFHXCJR-SSDOTTSWSA-N 1 2 227.695 1.457 20 30 BDEDLO N#CCCCCC(=O)OCCn1cc[nH+]c1 ZINC000847694742 588326551 /nfs/dbraw/zinc/32/65/51/588326551.db2.gz PTBJRERQYSUFPB-UHFFFAOYSA-N 1 2 221.260 1.510 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000848274726 588369360 /nfs/dbraw/zinc/36/93/60/588369360.db2.gz CNVCVEMVIUPIIO-VXGBXAGGSA-N 1 2 245.326 1.460 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000848274726 588369362 /nfs/dbraw/zinc/36/93/62/588369362.db2.gz CNVCVEMVIUPIIO-VXGBXAGGSA-N 1 2 245.326 1.460 20 30 BDEDLO C[NH+](C)[C@@H](C(=O)NO)c1ccc(Cl)cc1 ZINC000848370669 588374326 /nfs/dbraw/zinc/37/43/26/588374326.db2.gz FWQDVPAUHZILKI-SECBINFHSA-N 1 2 228.679 1.448 20 30 BDEDLO C[C@@H]1OCC(=NNCCCn2cc[nH+]c2)[C@@H]1C ZINC000848416146 588380889 /nfs/dbraw/zinc/38/08/89/588380889.db2.gz ARMQSSMYHNYGII-MNOVXSKESA-N 1 2 236.319 1.274 20 30 BDEDLO c1cn(CCCNN=C2CCCSC2)c[nH+]1 ZINC000848416499 588381381 /nfs/dbraw/zinc/38/13/81/588381381.db2.gz NGIAUVRLFCCUFA-UHFFFAOYSA-N 1 2 238.360 1.746 20 30 BDEDLO CCc1nocc1C=NNCCCn1cc[nH+]c1 ZINC000848417282 588381383 /nfs/dbraw/zinc/38/13/83/588381383.db2.gz SKJPXWLPNGNVCF-UHFFFAOYSA-N 1 2 247.302 1.447 20 30 BDEDLO c1cn(CCCNN=C2CCCC2)c[nH+]1 ZINC000848419657 588382767 /nfs/dbraw/zinc/38/27/67/588382767.db2.gz AFPWZAKKXUXVRX-UHFFFAOYSA-N 1 2 206.293 1.793 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000848494505 588387658 /nfs/dbraw/zinc/38/76/58/588387658.db2.gz XTBVNWXFDRGXMN-JTQLQIEISA-N 1 2 223.707 1.839 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000848494505 588387659 /nfs/dbraw/zinc/38/76/59/588387659.db2.gz XTBVNWXFDRGXMN-JTQLQIEISA-N 1 2 223.707 1.839 20 30 BDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)C(=O)OC ZINC000848916337 588420060 /nfs/dbraw/zinc/42/00/60/588420060.db2.gz GOGTXIQDEMDIMQ-AXFHLTTASA-N 1 2 241.356 1.425 20 30 BDEDLO C=CCC/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000849170429 588458868 /nfs/dbraw/zinc/45/88/68/588458868.db2.gz OYCPIODLDBGNDX-QPEQYQDCSA-N 1 2 220.272 1.583 20 30 BDEDLO N#CCC1C[NH+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000849326191 588472909 /nfs/dbraw/zinc/47/29/09/588472909.db2.gz FSDFFTVHRYAXNR-LBPRGKRZSA-N 1 2 235.262 1.100 20 30 BDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1CCCCO1 ZINC000110055305 588609826 /nfs/dbraw/zinc/60/98/26/588609826.db2.gz KESFKMGWPNCWCH-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H]1CCCCO1 ZINC000110055305 588609827 /nfs/dbraw/zinc/60/98/27/588609827.db2.gz KESFKMGWPNCWCH-LBPRGKRZSA-N 1 2 241.331 1.607 20 30 BDEDLO C=CC[N@@H+](CCOCC)CC(=O)OCC ZINC000110072135 588610139 /nfs/dbraw/zinc/61/01/39/588610139.db2.gz OASLNLPUUSHIMS-UHFFFAOYSA-N 1 2 215.293 1.074 20 30 BDEDLO C=CC[N@H+](CCOCC)CC(=O)OCC ZINC000110072135 588610140 /nfs/dbraw/zinc/61/01/40/588610140.db2.gz OASLNLPUUSHIMS-UHFFFAOYSA-N 1 2 215.293 1.074 20 30 BDEDLO C=CC[N@@H+](CCOC(F)F)CC(=O)OCC ZINC000851738278 588621103 /nfs/dbraw/zinc/62/11/03/588621103.db2.gz YWWVADKKSRFQLE-UHFFFAOYSA-N 1 2 237.246 1.277 20 30 BDEDLO C=CC[N@H+](CCOC(F)F)CC(=O)OCC ZINC000851738278 588621104 /nfs/dbraw/zinc/62/11/04/588621104.db2.gz YWWVADKKSRFQLE-UHFFFAOYSA-N 1 2 237.246 1.277 20 30 BDEDLO N#C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCN1C1CC1 ZINC000851768704 588625569 /nfs/dbraw/zinc/62/55/69/588625569.db2.gz NQDRLFBSBAEUNR-QVHKTLOISA-N 1 2 245.370 1.705 20 30 BDEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCN1C1CC1 ZINC000851768704 588625570 /nfs/dbraw/zinc/62/55/70/588625570.db2.gz NQDRLFBSBAEUNR-QVHKTLOISA-N 1 2 245.370 1.705 20 30 BDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccccn1 ZINC000851785597 588628439 /nfs/dbraw/zinc/62/84/39/588628439.db2.gz QYWHLZMFLJLEIY-AWEZNQCLSA-N 1 2 228.295 1.074 20 30 BDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccccn1 ZINC000851785597 588628440 /nfs/dbraw/zinc/62/84/40/588628440.db2.gz QYWHLZMFLJLEIY-AWEZNQCLSA-N 1 2 228.295 1.074 20 30 BDEDLO CC[N@H+](CCC#N)C[C@@H]1COC(C)(C)O1 ZINC000851797872 588630014 /nfs/dbraw/zinc/63/00/14/588630014.db2.gz MNZYTZXCPJEVGO-SNVBAGLBSA-N 1 2 212.293 1.373 20 30 BDEDLO CC[N@@H+](CCC#N)C[C@@H]1COC(C)(C)O1 ZINC000851797872 588630015 /nfs/dbraw/zinc/63/00/15/588630015.db2.gz MNZYTZXCPJEVGO-SNVBAGLBSA-N 1 2 212.293 1.373 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccccn1)C1CC1 ZINC000851866835 588636651 /nfs/dbraw/zinc/63/66/51/588636651.db2.gz XGDPLVVXSKYWSQ-FZMZJTMJSA-N 1 2 245.326 1.739 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccccn1)C1CC1 ZINC000851866835 588636652 /nfs/dbraw/zinc/63/66/52/588636652.db2.gz XGDPLVVXSKYWSQ-FZMZJTMJSA-N 1 2 245.326 1.739 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC000852101920 588663214 /nfs/dbraw/zinc/66/32/14/588663214.db2.gz IJALGVOQNYDZJQ-BXKDBHETSA-N 1 2 237.303 1.669 20 30 BDEDLO C#C[C@](C)(CC)[NH2+]Cc1nn(C)cc1Cl ZINC000852105301 588664100 /nfs/dbraw/zinc/66/41/00/588664100.db2.gz UWESNHHMRZHOBJ-LLVKDONJSA-N 1 2 225.723 1.965 20 30 BDEDLO C#C[C@H](CC)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852277920 588675638 /nfs/dbraw/zinc/67/56/38/588675638.db2.gz SALDETKZYUHQPM-VHSXEESVSA-N 1 2 234.303 1.192 20 30 BDEDLO C[C@@H](C#N)[N@H+](CC[C@H]1COC(C)(C)O1)C1CC1 ZINC000852481806 588684760 /nfs/dbraw/zinc/68/47/60/588684760.db2.gz QRKHXTMIGFFDPS-JQWIXIFHSA-N 1 2 238.331 1.904 20 30 BDEDLO C[C@@H](C#N)[N@@H+](CC[C@H]1COC(C)(C)O1)C1CC1 ZINC000852481806 588684761 /nfs/dbraw/zinc/68/47/61/588684761.db2.gz QRKHXTMIGFFDPS-JQWIXIFHSA-N 1 2 238.331 1.904 20 30 BDEDLO CC[N@H+](CC[C@@H]1CCOC1=O)[C@H](C)C#N ZINC000852638438 588693507 /nfs/dbraw/zinc/69/35/07/588693507.db2.gz BZUNQMSIGXCXSY-NXEZZACHSA-N 1 2 210.277 1.174 20 30 BDEDLO CC[N@H+](CCC1OCCCO1)[C@H](C)C#N ZINC000852639168 588693929 /nfs/dbraw/zinc/69/39/29/588693929.db2.gz JMOCHJRUPFPROD-SNVBAGLBSA-N 1 2 212.293 1.373 20 30 BDEDLO CC[N@@H+](CCC1OCCCO1)[C@H](C)C#N ZINC000852639168 588693930 /nfs/dbraw/zinc/69/39/30/588693930.db2.gz JMOCHJRUPFPROD-SNVBAGLBSA-N 1 2 212.293 1.373 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000852653737 588693986 /nfs/dbraw/zinc/69/39/86/588693986.db2.gz ZSVRHEKYQXHZIF-SNVBAGLBSA-N 1 2 245.754 1.427 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000852653737 588693987 /nfs/dbraw/zinc/69/39/87/588693987.db2.gz ZSVRHEKYQXHZIF-SNVBAGLBSA-N 1 2 245.754 1.427 20 30 BDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000861340810 589161214 /nfs/dbraw/zinc/16/12/14/589161214.db2.gz KMTWGXYRVQPFJS-VXGBXAGGSA-N 1 2 245.326 1.234 20 30 BDEDLO CC(C)(C)C#CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861761902 589176387 /nfs/dbraw/zinc/17/63/87/589176387.db2.gz BUYYNAOPVQZKHJ-UHFFFAOYSA-N 1 2 231.299 1.344 20 30 BDEDLO CC(C)(C)C#CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861761902 589176388 /nfs/dbraw/zinc/17/63/88/589176388.db2.gz BUYYNAOPVQZKHJ-UHFFFAOYSA-N 1 2 231.299 1.344 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763708 589177120 /nfs/dbraw/zinc/17/71/20/589177120.db2.gz XQVJXAAOWLBAHB-UHFFFAOYSA-N 1 2 241.241 1.506 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763708 589177122 /nfs/dbraw/zinc/17/71/22/589177122.db2.gz XQVJXAAOWLBAHB-UHFFFAOYSA-N 1 2 241.241 1.506 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000862573219 589224842 /nfs/dbraw/zinc/22/48/42/589224842.db2.gz VKLVOKJFVAQWKL-LBPRGKRZSA-N 1 2 245.326 1.225 20 30 BDEDLO CC[C@@H]1CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000119258234 589254728 /nfs/dbraw/zinc/25/47/28/589254728.db2.gz CANOLTSPBVYHQQ-LLVKDONJSA-N 1 2 235.331 1.438 20 30 BDEDLO CS(=O)(=O)[C@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163674 589266047 /nfs/dbraw/zinc/26/60/47/589266047.db2.gz LYAKUVOUEWKLRU-JTQLQIEISA-N 1 2 241.316 1.074 20 30 BDEDLO CCO[C@@H]1CC(=[NH+]n2cccn2)[C@]12CCCO2 ZINC000863163556 589266286 /nfs/dbraw/zinc/26/62/86/589266286.db2.gz ITRBYBCNCYTWAY-VXGBXAGGSA-N 1 2 235.287 1.445 20 30 BDEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H]1C#N ZINC000864079380 589341018 /nfs/dbraw/zinc/34/10/18/589341018.db2.gz XBMCLWAAXDMTHW-MWLCHTKSSA-N 1 2 232.287 1.103 20 30 BDEDLO CC(C)(C)c1cn(CC(=O)NCCC#N)c[nH+]1 ZINC000865375719 589428352 /nfs/dbraw/zinc/42/83/52/589428352.db2.gz LNHOERWHVCHVTH-UHFFFAOYSA-N 1 2 234.303 1.210 20 30 BDEDLO Cc1[nH]nc(NCc2cn(C3CC3)c[nH+]2)c1C#N ZINC000865599173 589449723 /nfs/dbraw/zinc/44/97/23/589449723.db2.gz UNMIFNKNHVPMRP-UHFFFAOYSA-N 1 2 242.286 1.733 20 30 BDEDLO C[C@H](O)c1ccc(NCCCC#N)[nH+]c1 ZINC000865670676 589455466 /nfs/dbraw/zinc/45/54/66/589455466.db2.gz CVKSRKFUUUAUKK-VIFPVBQESA-N 1 2 205.261 1.851 20 30 BDEDLO C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866212569 589481002 /nfs/dbraw/zinc/48/10/02/589481002.db2.gz SYBGSUOEJBYEKA-IUCAKERBSA-N 1 2 220.272 1.295 20 30 BDEDLO CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866239042 589482110 /nfs/dbraw/zinc/48/21/10/589482110.db2.gz TUWOOSPRBWKGFS-JTQLQIEISA-N 1 2 234.299 1.951 20 30 BDEDLO C[C@@H]([NH2+]CC1(O)CCC1)c1cccc(C#N)c1O ZINC000866261992 589483388 /nfs/dbraw/zinc/48/33/88/589483388.db2.gz CYLXBCGIPJBSGV-SNVBAGLBSA-N 1 2 246.310 1.829 20 30 BDEDLO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C#N)c1O ZINC000866259347 589483393 /nfs/dbraw/zinc/48/33/93/589483393.db2.gz LNQGGINFGPMJKR-QWRGUYRKSA-N 1 2 247.342 1.865 20 30 BDEDLO C[C@H]([NH2+]CC(C)(C)CO)c1cccc(C#N)c1O ZINC000866307789 589485413 /nfs/dbraw/zinc/48/54/13/589485413.db2.gz JNBLVVJKLJOSLM-JTQLQIEISA-N 1 2 248.326 1.933 20 30 BDEDLO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866370146 589488409 /nfs/dbraw/zinc/48/84/09/589488409.db2.gz RUBMJBAEXIRIRH-IEBDPFPHSA-N 1 2 232.283 1.438 20 30 BDEDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866370147 589488560 /nfs/dbraw/zinc/48/85/60/589488560.db2.gz RUBMJBAEXIRIRH-INTQDDNPSA-N 1 2 232.283 1.438 20 30 BDEDLO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C#N)c1O ZINC000866393784 589489523 /nfs/dbraw/zinc/48/95/23/589489523.db2.gz RUBMJBAEXIRIRH-LSJOCFKGSA-N 1 2 232.283 1.438 20 30 BDEDLO C=CC[N@H+](CCCF)CC(=O)OCC ZINC000123119509 589662494 /nfs/dbraw/zinc/66/24/94/589662494.db2.gz QFFATWFVNPAUJA-UHFFFAOYSA-N 1 2 203.257 1.397 20 30 BDEDLO C=CC[N@@H+](CCCF)CC(=O)OCC ZINC000123119509 589662492 /nfs/dbraw/zinc/66/24/92/589662492.db2.gz QFFATWFVNPAUJA-UHFFFAOYSA-N 1 2 203.257 1.397 20 30 BDEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[C@H]1C#N ZINC000870669842 589682026 /nfs/dbraw/zinc/68/20/26/589682026.db2.gz CUOUQWJTMFVHBG-UWVGGRQHSA-N 1 2 232.287 1.103 20 30 BDEDLO CCc1noc(C)c1CO[NH+]=C(N)[C@@H](C)OC ZINC000123506833 589740379 /nfs/dbraw/zinc/74/03/79/589740379.db2.gz VADNWZOBPLNAIW-MRVPVSSYSA-N 1 2 241.291 1.369 20 30 BDEDLO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000871936644 589835192 /nfs/dbraw/zinc/83/51/92/589835192.db2.gz LRSYYMAKDDEQET-NWDGAFQWSA-N 1 2 243.314 1.879 20 30 BDEDLO C#C[C@H]1CC[C@H]([NH2+][C@@H](C=C)C(=O)OC)CC1 ZINC000871938691 589835379 /nfs/dbraw/zinc/83/53/79/589835379.db2.gz FHUQJDLZLTWVEW-SRVKXCTJSA-N 1 2 221.300 1.496 20 30 BDEDLO Cc1nc(C#N)c(N=NC(C)c2cn(C)c[nH+]2)o1 ZINC000872344648 589915473 /nfs/dbraw/zinc/91/54/73/589915473.db2.gz MOBSZPFNLPUMEO-UHFFFAOYSA-N 1 2 244.258 1.424 20 30 BDEDLO Cc1cc(N=NC(C)c2cn(C)c[nH+]2)ncn1 ZINC000872351689 589916076 /nfs/dbraw/zinc/91/60/76/589916076.db2.gz MRKXSVSICORRTJ-UHFFFAOYSA-N 1 2 230.275 1.355 20 30 BDEDLO F[C@@H]1CCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000872359832 589918861 /nfs/dbraw/zinc/91/88/61/589918861.db2.gz QJUOBNLTTXVSHK-MIMYLULJSA-N 1 2 238.310 1.724 20 30 BDEDLO Cc1cccnc1N=NC(C)c1cn(C)c[nH+]1 ZINC000872368150 589922682 /nfs/dbraw/zinc/92/26/82/589922682.db2.gz CXVKQVJBLBXLBL-UHFFFAOYSA-N 1 2 229.287 1.960 20 30 BDEDLO CC(=[NH+]N1CCC1)c1cc(N)ccc1F ZINC000872398592 589934845 /nfs/dbraw/zinc/93/48/45/589934845.db2.gz YJETWWQVSACBBM-UHFFFAOYSA-N 1 2 207.252 1.838 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1cc(C(=O)OC)no1 ZINC000877150120 590292566 /nfs/dbraw/zinc/29/25/66/590292566.db2.gz XMNLCBDIJHLVAW-UHFFFAOYSA-N 1 2 230.651 1.303 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000877321120 590315399 /nfs/dbraw/zinc/31/53/99/590315399.db2.gz FISAUIQWIMAEGV-NSHDSACASA-N 1 2 242.326 1.874 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(=O)OCC)no1 ZINC000877480062 590337559 /nfs/dbraw/zinc/33/75/59/590337559.db2.gz IRKDNXFIQAZCET-VIFPVBQESA-N 1 2 236.271 1.305 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(=O)OCC)no1 ZINC000877480062 590337561 /nfs/dbraw/zinc/33/75/61/590337561.db2.gz IRKDNXFIQAZCET-VIFPVBQESA-N 1 2 236.271 1.305 20 30 BDEDLO N#CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000877483586 590337889 /nfs/dbraw/zinc/33/78/89/590337889.db2.gz OMOPQOFBTJDECC-UHFFFAOYSA-N 1 2 217.228 1.537 20 30 BDEDLO C#CCCCCCC[NH+]1CC(S(C)(=O)=O)C1 ZINC000877577048 590363946 /nfs/dbraw/zinc/36/39/46/590363946.db2.gz UASCHDCVTCFRIN-UHFFFAOYSA-N 1 2 243.372 1.299 20 30 BDEDLO C#CCCCCC[NH2+][C@](C)(COC)C(=O)OC ZINC000878332528 590548094 /nfs/dbraw/zinc/54/80/94/590548094.db2.gz FROXBCQUWLUNQR-CYBMUJFWSA-N 1 2 241.331 1.348 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)C(=O)OC ZINC000878412872 590562757 /nfs/dbraw/zinc/56/27/57/590562757.db2.gz ANSHGDVECPXUPE-SDDRHHMPSA-N 1 2 241.331 1.651 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC000878445769 590568481 /nfs/dbraw/zinc/56/84/81/590568481.db2.gz CJHYKCBNWWXMFA-UHFFFAOYSA-N 1 2 234.343 1.366 20 30 BDEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(F)(F)CC1 ZINC000878542521 590589455 /nfs/dbraw/zinc/58/94/55/590589455.db2.gz MCAAMOZHMZDDHU-SECBINFHSA-N 1 2 233.258 1.835 20 30 BDEDLO C[N@H+](CC1(CC#N)CC1)[C@@H]1CC(C)(C)OC1=O ZINC000878644775 590600520 /nfs/dbraw/zinc/60/05/20/590600520.db2.gz BPCNHBUCMMKVEZ-SNVBAGLBSA-N 1 2 236.315 1.706 20 30 BDEDLO C[N@@H+](CC1(CC#N)CC1)[C@@H]1CC(C)(C)OC1=O ZINC000878644775 590600522 /nfs/dbraw/zinc/60/05/22/590600522.db2.gz BPCNHBUCMMKVEZ-SNVBAGLBSA-N 1 2 236.315 1.706 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)OC ZINC000878673144 590607208 /nfs/dbraw/zinc/60/72/08/590607208.db2.gz MYIKQUOBHOAPHX-ZJUUUORDSA-N 1 2 211.305 1.882 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000878705783 590612865 /nfs/dbraw/zinc/61/28/65/590612865.db2.gz IKCYDAKCYCMVPJ-VWYCJHECSA-N 1 2 227.304 1.261 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000878844341 590631008 /nfs/dbraw/zinc/63/10/08/590631008.db2.gz XFJMSHILQBZPGS-LLVKDONJSA-N 1 2 245.326 1.867 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000878844341 590631012 /nfs/dbraw/zinc/63/10/12/590631012.db2.gz XFJMSHILQBZPGS-LLVKDONJSA-N 1 2 245.326 1.867 20 30 BDEDLO C#CC[N@@H+](Cc1cncc(OC)n1)C1CSC1 ZINC000878909091 590645133 /nfs/dbraw/zinc/64/51/33/590645133.db2.gz KGRKHINFKTUTSL-UHFFFAOYSA-N 1 2 249.339 1.036 20 30 BDEDLO C#CC[N@H+](Cc1cncc(OC)n1)C1CSC1 ZINC000878909091 590645138 /nfs/dbraw/zinc/64/51/38/590645138.db2.gz KGRKHINFKTUTSL-UHFFFAOYSA-N 1 2 249.339 1.036 20 30 BDEDLO CC[N@H+](CCc1ccc(C(N)=O)cc1)[C@@H](C)C#N ZINC000878987241 590669589 /nfs/dbraw/zinc/66/95/89/590669589.db2.gz DUAQUIVORRXMML-NSHDSACASA-N 1 2 245.326 1.562 20 30 BDEDLO CC[N@@H+](CCc1ccc(C(N)=O)cc1)[C@@H](C)C#N ZINC000878987241 590669592 /nfs/dbraw/zinc/66/95/92/590669592.db2.gz DUAQUIVORRXMML-NSHDSACASA-N 1 2 245.326 1.562 20 30 BDEDLO COC(=O)/C(C)=C\C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879309095 590735735 /nfs/dbraw/zinc/73/57/35/590735735.db2.gz UIYVBLKUPUNRDQ-DXGKCEBASA-N 1 2 236.315 1.730 20 30 BDEDLO COC(=O)/C(C)=C\C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879309095 590735741 /nfs/dbraw/zinc/73/57/41/590735741.db2.gz UIYVBLKUPUNRDQ-DXGKCEBASA-N 1 2 236.315 1.730 20 30 BDEDLO C#C[C@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000879604539 590826793 /nfs/dbraw/zinc/82/67/93/590826793.db2.gz AUHUMGMANPIVBE-LLVKDONJSA-N 1 2 247.298 1.122 20 30 BDEDLO N#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880190303 590955551 /nfs/dbraw/zinc/95/55/51/590955551.db2.gz AREUAAQDZIDAER-KBPBESRZSA-N 1 2 227.311 1.863 20 30 BDEDLO N#CCC[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880190303 590955554 /nfs/dbraw/zinc/95/55/54/590955554.db2.gz AREUAAQDZIDAER-KBPBESRZSA-N 1 2 227.311 1.863 20 30 BDEDLO N#Cc1csc(C[N@H+]2CC[C@H](CF)C2)n1 ZINC000880299498 590994565 /nfs/dbraw/zinc/99/45/65/590994565.db2.gz HTYZISZUERCIOK-MRVPVSSYSA-N 1 2 225.292 1.806 20 30 BDEDLO N#Cc1csc(C[N@@H+]2CC[C@H](CF)C2)n1 ZINC000880299498 590994570 /nfs/dbraw/zinc/99/45/70/590994570.db2.gz HTYZISZUERCIOK-MRVPVSSYSA-N 1 2 225.292 1.806 20 30 BDEDLO C[C@H]1c2sccc2CC[N@H+]1CC(=O)NCC#N ZINC000880377676 591015755 /nfs/dbraw/zinc/01/57/55/591015755.db2.gz BYCLETPAWFGVGU-VIFPVBQESA-N 1 2 249.339 1.307 20 30 BDEDLO C[C@H]1c2sccc2CC[N@@H+]1CC(=O)NCC#N ZINC000880377676 591015759 /nfs/dbraw/zinc/01/57/59/591015759.db2.gz BYCLETPAWFGVGU-VIFPVBQESA-N 1 2 249.339 1.307 20 30 BDEDLO C#CCC1(O)CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000880482315 591055332 /nfs/dbraw/zinc/05/53/32/591055332.db2.gz FGPKGSZQMYBYBW-JTQLQIEISA-N 1 2 248.330 1.024 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC=C[C@@H]1CO ZINC000880488803 591065785 /nfs/dbraw/zinc/06/57/85/591065785.db2.gz MKKJGXWUBNJRKO-CYBMUJFWSA-N 1 2 248.713 1.944 20 30 BDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880488803 591065790 /nfs/dbraw/zinc/06/57/90/591065790.db2.gz MKKJGXWUBNJRKO-CYBMUJFWSA-N 1 2 248.713 1.944 20 30 BDEDLO C#CC1(F)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000881938509 591280780 /nfs/dbraw/zinc/28/07/80/591280780.db2.gz OUXKVDZBNIHYTA-SNVBAGLBSA-N 1 2 235.262 1.018 20 30 BDEDLO C=CCn1cc(CNc2nc[nH+]c(C)c2C)nn1 ZINC000882481145 591357035 /nfs/dbraw/zinc/35/70/35/591357035.db2.gz PEMSCAOTQIFBID-UHFFFAOYSA-N 1 2 244.302 1.483 20 30 BDEDLO C#CC[C@@H](CCOC)Nc1cc[nH+]cc1F ZINC000882671138 591408982 /nfs/dbraw/zinc/40/89/82/591408982.db2.gz JCYXNCOHBLJOJV-JTQLQIEISA-N 1 2 222.263 1.483 20 30 BDEDLO C#CC1(F)CN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000882886263 591463546 /nfs/dbraw/zinc/46/35/46/591463546.db2.gz MAOUDQGBFLKRAB-UHFFFAOYSA-N 1 2 219.263 1.509 20 30 BDEDLO C[C@H](O[NH+]=C(N)CO)c1ccc(C#N)cc1 ZINC000883012324 591506258 /nfs/dbraw/zinc/50/62/58/591506258.db2.gz BMGHJHPIIGGSBV-QMMMGPOBSA-N 1 2 219.244 1.110 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000883006300 591507759 /nfs/dbraw/zinc/50/77/59/591507759.db2.gz NQQRTIPTQXDUDK-LLVKDONJSA-N 1 2 243.310 1.791 20 30 BDEDLO Cc1c[nH]c(CNc2cccc(CC#N)n2)[nH+]1 ZINC000883357136 591628023 /nfs/dbraw/zinc/62/80/23/591628023.db2.gz DROHRJVQCIYAOS-UHFFFAOYSA-N 1 2 227.271 1.791 20 30 BDEDLO C=CC[N@@H+](CCCSC)CC(=O)OCC ZINC000135400239 592011031 /nfs/dbraw/zinc/01/10/31/592011031.db2.gz SQFZRKRRJLSXTB-UHFFFAOYSA-N 1 2 231.361 1.791 20 30 BDEDLO C=CC[N@H+](CCCSC)CC(=O)OCC ZINC000135400239 592011032 /nfs/dbraw/zinc/01/10/32/592011032.db2.gz SQFZRKRRJLSXTB-UHFFFAOYSA-N 1 2 231.361 1.791 20 30 BDEDLO N#C[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573105 592265132 /nfs/dbraw/zinc/26/51/32/592265132.db2.gz SYBYFMKHBXQOCH-LXTVHRRPSA-N 1 2 242.322 1.954 20 30 BDEDLO N#C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573105 592265135 /nfs/dbraw/zinc/26/51/35/592265135.db2.gz SYBYFMKHBXQOCH-LXTVHRRPSA-N 1 2 242.322 1.954 20 30 BDEDLO C=CCCCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000077239663 592320683 /nfs/dbraw/zinc/32/06/83/592320683.db2.gz VGPRYLSTEAKKMC-UHFFFAOYSA-N 1 2 227.308 1.156 20 30 BDEDLO C#CCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC000886796090 592328709 /nfs/dbraw/zinc/32/87/09/592328709.db2.gz POUJUWFRUOEXJZ-UHFFFAOYSA-N 1 2 231.299 1.323 20 30 BDEDLO C#CCC1(NC(=O)Cc2[nH+]c[nH]c2C)CCC1 ZINC000886796090 592328711 /nfs/dbraw/zinc/32/87/11/592328711.db2.gz POUJUWFRUOEXJZ-UHFFFAOYSA-N 1 2 231.299 1.323 20 30 BDEDLO C=CC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886958634 592399964 /nfs/dbraw/zinc/39/99/64/592399964.db2.gz BHEOBTUEONOXOM-WDEREUQCSA-N 1 2 227.304 1.263 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)C(=O)OC ZINC000887310564 592478980 /nfs/dbraw/zinc/47/89/80/592478980.db2.gz JPVWHTLQWSJMKR-ZMLRMANQSA-N 1 2 241.331 1.507 20 30 BDEDLO C=CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000887310596 592479611 /nfs/dbraw/zinc/47/96/11/592479611.db2.gz KOWXSGVSCFXFLJ-KXUCPTDWSA-N 1 2 215.293 1.117 20 30 BDEDLO C=C[C@H]([NH2+][C@@H](C)CCSC)C(=O)OC ZINC000301051143 592527773 /nfs/dbraw/zinc/52/77/73/592527773.db2.gz TZNABEIEQDUSLB-IUCAKERBSA-N 1 2 217.334 1.445 20 30 BDEDLO C#CCSCC(=O)Nc1cc[nH+]c(C)c1 ZINC000889792774 592654888 /nfs/dbraw/zinc/65/48/88/592654888.db2.gz MNSYWHZBSIWORJ-UHFFFAOYSA-N 1 2 220.297 1.117 20 30 BDEDLO CCc1cc(NCC#CCO)nc(CC)[nH+]1 ZINC000893704274 635515185 /nfs/dbraw/zinc/51/51/85/635515185.db2.gz XOHAUBYYRHDFKV-UHFFFAOYSA-N 1 2 219.288 1.009 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000932158740 635609299 /nfs/dbraw/zinc/60/92/99/635609299.db2.gz BGHSWSPLJXBLFW-LBPRGKRZSA-N 1 2 243.310 1.521 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000932158740 635609301 /nfs/dbraw/zinc/60/93/01/635609301.db2.gz BGHSWSPLJXBLFW-LBPRGKRZSA-N 1 2 243.310 1.521 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C2OCCO2)o1 ZINC000933896762 631544389 /nfs/dbraw/zinc/54/43/89/631544389.db2.gz OVYIFXPUNNGBMC-LBPRGKRZSA-N 1 2 248.282 1.489 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2OCCO2)o1 ZINC000933896762 631544398 /nfs/dbraw/zinc/54/43/98/631544398.db2.gz OVYIFXPUNNGBMC-LBPRGKRZSA-N 1 2 248.282 1.489 20 30 BDEDLO Cc1cc(C#N)nc(NCc2c[nH+]cn2C)c1 ZINC000893897012 635639688 /nfs/dbraw/zinc/63/96/88/635639688.db2.gz BFZAWDYHUUMRMD-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C#CCCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178731948 635674545 /nfs/dbraw/zinc/67/45/45/635674545.db2.gz LMXDGNJZCFIRNC-UHFFFAOYSA-N 1 2 248.330 1.328 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000949609163 631696346 /nfs/dbraw/zinc/69/63/46/631696346.db2.gz ZSLUQCIWKXJAPG-CMPLNLGQSA-N 1 2 222.332 1.361 20 30 BDEDLO CC(=[NH+]NC[C@H](C)C#N)c1csc(N)n1 ZINC000308866543 631697616 /nfs/dbraw/zinc/69/76/16/631697616.db2.gz XETOEGQNPKZRPV-ZCFIWIBFSA-N 1 2 223.305 1.199 20 30 BDEDLO CO[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000308859811 631698890 /nfs/dbraw/zinc/69/88/90/631698890.db2.gz UWUQQXKDDQTTOB-UHFFFAOYSA-N 1 2 209.205 1.547 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)OCC(C)C ZINC000934459567 631850862 /nfs/dbraw/zinc/85/08/62/631850862.db2.gz GHXZPWDLLUKFQL-LLVKDONJSA-N 1 2 211.305 1.836 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)OCC(C)C ZINC000934459567 631850864 /nfs/dbraw/zinc/85/08/64/631850864.db2.gz GHXZPWDLLUKFQL-LLVKDONJSA-N 1 2 211.305 1.836 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC000934514005 631896963 /nfs/dbraw/zinc/89/69/63/631896963.db2.gz DUDURFZXLVHFSK-GFCCVEGCSA-N 1 2 203.289 1.408 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccn(C)n1 ZINC000934514005 631896966 /nfs/dbraw/zinc/89/69/66/631896966.db2.gz DUDURFZXLVHFSK-GFCCVEGCSA-N 1 2 203.289 1.408 20 30 BDEDLO C=CCCc1noc([C@@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000924083435 633057370 /nfs/dbraw/zinc/05/73/70/633057370.db2.gz FJBGPAXKAZEMON-ZJUUUORDSA-N 1 2 237.303 1.580 20 30 BDEDLO C=CCCc1noc([C@@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000924083435 633057374 /nfs/dbraw/zinc/05/73/74/633057374.db2.gz FJBGPAXKAZEMON-ZJUUUORDSA-N 1 2 237.303 1.580 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000408027974 633170564 /nfs/dbraw/zinc/17/05/64/633170564.db2.gz NCRQLMVXYPJPQW-WDEREUQCSA-N 1 2 246.314 1.064 20 30 BDEDLO C=CCC(F)(F)C(=O)NCc1c[nH+]cn1C ZINC000293640972 633204662 /nfs/dbraw/zinc/20/46/62/633204662.db2.gz JQOMOEZHZZLUPR-UHFFFAOYSA-N 1 2 229.230 1.248 20 30 BDEDLO C#CCOc1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000054179797 636045887 /nfs/dbraw/zinc/04/58/87/636045887.db2.gz RWQYLUOMUZVRBO-LBPRGKRZSA-N 1 2 228.295 1.948 20 30 BDEDLO C=C(C)C[C@@H]([NH2+][C@@H](CC)COC)C(=O)OCC ZINC000895598815 636163579 /nfs/dbraw/zinc/16/35/79/636163579.db2.gz VAWJPXIFIXABNF-NWDGAFQWSA-N 1 2 243.347 1.899 20 30 BDEDLO C=CCC[C@@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930876061 634148718 /nfs/dbraw/zinc/14/87/18/634148718.db2.gz MQQPLINMDFJQGD-MFKMUULPSA-N 1 2 241.331 1.387 20 30 BDEDLO Cn1nc2c(c1C[NH2+]CC(C)(C)C#N)COCC2 ZINC000893552187 635150208 /nfs/dbraw/zinc/15/02/08/635150208.db2.gz RJDGDQJWDMHYLD-UHFFFAOYSA-N 1 2 248.330 1.132 20 30 BDEDLO Cc1[nH]c(CNC(=O)[C@H](C)CC#N)[nH+]c1C ZINC000900999337 637225462 /nfs/dbraw/zinc/22/54/62/637225462.db2.gz GAZWUSWAASYETJ-SSDOTTSWSA-N 1 2 220.276 1.193 20 30 BDEDLO Cc1c(C(=O)/C=C\c2c[nH+]cn2C)cnn1C ZINC000901487874 637256455 /nfs/dbraw/zinc/25/64/55/637256455.db2.gz BNKTUHURIBJNKJ-PLNGDYQASA-N 1 2 230.271 1.358 20 30 BDEDLO C[C@H]1/C(=C\c2c[nH+]cn2C)C(=O)c2nccn21 ZINC000901566066 637261402 /nfs/dbraw/zinc/26/14/02/637261402.db2.gz OOYATOBVGKMGIO-SMSHQHMSSA-N 1 2 228.255 1.458 20 30 BDEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ncnn2[C@@H]1C ZINC000905085748 637585330 /nfs/dbraw/zinc/58/53/30/637585330.db2.gz PARWWPSTCNPGKF-YXSUAUNDSA-N 1 2 243.270 1.335 20 30 BDEDLO C=CC[C@@H]([NH2+]CCc1ccsc1)C(=O)OC ZINC000905760368 637913913 /nfs/dbraw/zinc/91/39/13/637913913.db2.gz ASJXGZBQTQVHQK-LLVKDONJSA-N 1 2 239.340 1.998 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000905764283 637918749 /nfs/dbraw/zinc/91/87/49/637918749.db2.gz HEBGDXGOYHZHHC-GHMZBOCLSA-N 1 2 225.288 1.386 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000905769382 637924386 /nfs/dbraw/zinc/92/43/86/637924386.db2.gz DPMMJGXHDJRKBG-WISYIIOYSA-N 1 2 241.331 1.507 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000905769380 637925672 /nfs/dbraw/zinc/92/56/72/637925672.db2.gz DPMMJGXHDJRKBG-USZNOCQGSA-N 1 2 241.331 1.507 20 30 BDEDLO C=CC[C@@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000905773554 637929140 /nfs/dbraw/zinc/92/91/40/637929140.db2.gz JJEBSMSVHQRGAH-SNVBAGLBSA-N 1 2 211.305 1.882 20 30 BDEDLO C#C[C@H](CC)NC(=O)CNc1cccc[nH+]1 ZINC000907714997 638455064 /nfs/dbraw/zinc/45/50/64/638455064.db2.gz MJFGEMYHLUPZAG-SNVBAGLBSA-N 1 2 217.272 1.022 20 30 BDEDLO CC1(C)CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C#N ZINC000907764354 638464214 /nfs/dbraw/zinc/46/42/14/638464214.db2.gz YOQYWHQRCSOQNO-NSHDSACASA-N 1 2 246.314 1.493 20 30 BDEDLO CCN(CCC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930463977 639764298 /nfs/dbraw/zinc/76/42/98/639764298.db2.gz CQSQFWNVJYECHX-UHFFFAOYSA-N 1 2 242.282 1.939 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cncc(C#N)c1 ZINC000930691866 639862911 /nfs/dbraw/zinc/86/29/11/639862911.db2.gz BCXMWFMXSMYUAK-GFCCVEGCSA-N 1 2 214.272 1.735 20 30 BDEDLO C=CC[N@H+](Cc1nn(C)cc1C)[C@H](C)COC ZINC000930932992 639996202 /nfs/dbraw/zinc/99/62/02/639996202.db2.gz QCWFCKFWPSSDHM-GFCCVEGCSA-N 1 2 237.347 1.751 20 30 BDEDLO C=CC[N@@H+](Cc1nn(C)cc1C)[C@H](C)COC ZINC000930932992 639996210 /nfs/dbraw/zinc/99/62/10/639996210.db2.gz QCWFCKFWPSSDHM-GFCCVEGCSA-N 1 2 237.347 1.751 20 30 BDEDLO Cc1nnc(CC[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000931063683 640051200 /nfs/dbraw/zinc/05/12/00/640051200.db2.gz SRZINCJNJVWJBE-LLVKDONJSA-N 1 2 220.276 1.156 20 30 BDEDLO Cc1nnc(CC[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000931063683 640051204 /nfs/dbraw/zinc/05/12/04/640051204.db2.gz SRZINCJNJVWJBE-LLVKDONJSA-N 1 2 220.276 1.156 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000931067347 640056924 /nfs/dbraw/zinc/05/69/24/640056924.db2.gz NFUKWVKDHYALES-SSDOTTSWSA-N 1 2 249.236 1.075 20 30 BDEDLO C#CC1(O)CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC000931145413 640077437 /nfs/dbraw/zinc/07/74/37/640077437.db2.gz RACCREFFJUGMFB-JTQLQIEISA-N 1 2 249.314 1.153 20 30 BDEDLO C[C@H](CC#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613797 640136993 /nfs/dbraw/zinc/13/69/93/640136993.db2.gz CHEYRECVRWMICH-SNVBAGLBSA-N 1 2 234.303 1.284 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000932147802 640441004 /nfs/dbraw/zinc/44/10/04/640441004.db2.gz HIXKXXQRBKRADD-WDEREUQCSA-N 1 2 234.299 1.318 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000932147802 640441008 /nfs/dbraw/zinc/44/10/08/640441008.db2.gz HIXKXXQRBKRADD-WDEREUQCSA-N 1 2 234.299 1.318 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148687 640442049 /nfs/dbraw/zinc/44/20/49/640442049.db2.gz RGNRZNLXDIKAMW-NEPJUHHUSA-N 1 2 248.326 1.708 20 30 BDEDLO N#C[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000932148687 640442052 /nfs/dbraw/zinc/44/20/52/640442052.db2.gz RGNRZNLXDIKAMW-NEPJUHHUSA-N 1 2 248.326 1.708 20 30 BDEDLO C#CC[N@H+](CC(=O)Nc1cc(C)no1)C(C)C ZINC000932391982 640518429 /nfs/dbraw/zinc/51/84/29/640518429.db2.gz VFYULTYPARHCIA-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)no1)C(C)C ZINC000932391982 640518432 /nfs/dbraw/zinc/51/84/32/640518432.db2.gz VFYULTYPARHCIA-UHFFFAOYSA-N 1 2 235.287 1.265 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000932475409 640543838 /nfs/dbraw/zinc/54/38/38/640543838.db2.gz OOCIZCWOCKGAAW-JTQLQIEISA-N 1 2 221.304 1.671 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030060454 640559171 /nfs/dbraw/zinc/55/91/71/640559171.db2.gz QTHOYVOJVOXQFF-UHFFFAOYSA-N 1 2 230.311 1.677 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCCCC2)C1 ZINC001030061178 640561466 /nfs/dbraw/zinc/56/14/66/640561466.db2.gz KRKCAIDKBJRLDQ-UHFFFAOYSA-N 1 2 236.359 1.943 20 30 BDEDLO C[C@@H](C#N)OCC[N@@H+]1CCn2cccc2C1 ZINC000932524654 640563012 /nfs/dbraw/zinc/56/30/12/640563012.db2.gz NCWVKFWRAVBUBC-NSHDSACASA-N 1 2 219.288 1.232 20 30 BDEDLO C[C@@H](C#N)OCC[N@H+]1CCn2cccc2C1 ZINC000932524654 640563015 /nfs/dbraw/zinc/56/30/15/640563015.db2.gz NCWVKFWRAVBUBC-NSHDSACASA-N 1 2 219.288 1.232 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933256906 640691776 /nfs/dbraw/zinc/69/17/76/640691776.db2.gz JIRFESJPPKETLP-CYBMUJFWSA-N 1 2 235.331 1.198 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(ncn2CC)C1 ZINC000933256906 640691779 /nfs/dbraw/zinc/69/17/79/640691779.db2.gz JIRFESJPPKETLP-CYBMUJFWSA-N 1 2 235.331 1.198 20 30 BDEDLO C=C(C)[C@@H](CO)N1CCc2c([nH+]cn2CC)C1 ZINC000933256906 640691781 /nfs/dbraw/zinc/69/17/81/640691781.db2.gz JIRFESJPPKETLP-CYBMUJFWSA-N 1 2 235.331 1.198 20 30 BDEDLO C#CCC1([NH2+]CC(=O)OCC)CCCCC1 ZINC000933265658 640693577 /nfs/dbraw/zinc/69/35/77/640693577.db2.gz IDUOFAOTWOATKH-UHFFFAOYSA-N 1 2 223.316 1.865 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC2(C)C)C1 ZINC001030228136 640696996 /nfs/dbraw/zinc/69/69/96/640696996.db2.gz SNJHBENZDVBSFR-LLVKDONJSA-N 1 2 222.332 1.409 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001030662419 641085464 /nfs/dbraw/zinc/08/54/64/641085464.db2.gz JCKOSHKIKNFTSX-CHWSQXEVSA-N 1 2 248.370 1.492 20 30 BDEDLO C#CC1(O)C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000934449510 641148995 /nfs/dbraw/zinc/14/89/95/641148995.db2.gz ZUSXVTNSVRZBPE-SECBINFHSA-N 1 2 215.243 1.102 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)NCC(F)(F)F ZINC000934463762 641156805 /nfs/dbraw/zinc/15/68/05/641156805.db2.gz ZABAYXCEGMCNFW-MRVPVSSYSA-N 1 2 236.237 1.315 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000934463762 641156810 /nfs/dbraw/zinc/15/68/10/641156810.db2.gz ZABAYXCEGMCNFW-MRVPVSSYSA-N 1 2 236.237 1.315 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000934519781 641186425 /nfs/dbraw/zinc/18/64/25/641186425.db2.gz UJAHAXLWONBWJH-LBPRGKRZSA-N 1 2 245.282 1.978 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000934519781 641186432 /nfs/dbraw/zinc/18/64/32/641186432.db2.gz UJAHAXLWONBWJH-LBPRGKRZSA-N 1 2 245.282 1.978 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001030921884 641424267 /nfs/dbraw/zinc/42/42/67/641424267.db2.gz HAYABQLYAQGGMO-GFCCVEGCSA-N 1 2 248.370 1.636 20 30 BDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923357 641503821 /nfs/dbraw/zinc/50/38/21/641503821.db2.gz QKXSKCQXBUUXSS-NWDGAFQWSA-N 1 2 247.342 1.916 20 30 BDEDLO C#CCNC(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000048576997 641693708 /nfs/dbraw/zinc/69/37/08/641693708.db2.gz SSJGBBYEBKGHLY-UHFFFAOYSA-N 1 2 246.310 1.302 20 30 BDEDLO C#CCNC(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000048576997 641693719 /nfs/dbraw/zinc/69/37/19/641693719.db2.gz SSJGBBYEBKGHLY-UHFFFAOYSA-N 1 2 246.310 1.302 20 30 BDEDLO C=CCC[NH+]1CC(NC(=O)c2ncccc2F)C1 ZINC001031142973 641733011 /nfs/dbraw/zinc/73/30/11/641733011.db2.gz NCWULDWPFPGAMC-UHFFFAOYSA-N 1 2 249.289 1.211 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000949822321 641865282 /nfs/dbraw/zinc/86/52/82/641865282.db2.gz FYMXUXTUMAHFAJ-WDNDVIMCSA-N 1 2 248.370 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc[nH]c2C)C1 ZINC000949861936 641867786 /nfs/dbraw/zinc/86/77/86/641867786.db2.gz ZWBBKBDINSRSEK-UHFFFAOYSA-N 1 2 247.342 1.655 20 30 BDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncc[nH]2)C1 ZINC000950025217 641883431 /nfs/dbraw/zinc/88/34/31/641883431.db2.gz DUPCMVQVODMHKA-UHFFFAOYSA-N 1 2 248.330 1.132 20 30 BDEDLO C[C@@H](C[NH+]1CCOCC1)/N=C\c1ccccc1O ZINC000915979761 641890855 /nfs/dbraw/zinc/89/08/55/641890855.db2.gz SBTWZODHVTYHBV-GQVHDAKQSA-N 1 2 248.326 1.532 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC000950452795 641920690 /nfs/dbraw/zinc/92/06/90/641920690.db2.gz YWZXCALYVOJYEK-GFCCVEGCSA-N 1 2 248.326 1.713 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000847019808 642389002 /nfs/dbraw/zinc/38/90/02/642389002.db2.gz SROWQUIBQBELGK-LBPRGKRZSA-N 1 2 244.342 1.460 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000847019808 642389005 /nfs/dbraw/zinc/38/90/05/642389005.db2.gz SROWQUIBQBELGK-LBPRGKRZSA-N 1 2 244.342 1.460 20 30 BDEDLO C[C@H](C#N)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444664261 642873585 /nfs/dbraw/zinc/87/35/85/642873585.db2.gz QMYOBDOADLKSMH-MNOVXSKESA-N 1 2 246.314 1.286 20 30 BDEDLO CCOCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000181597563 642886128 /nfs/dbraw/zinc/88/61/28/642886128.db2.gz HSLLSIFZLUXNPG-UHFFFAOYSA-N 1 2 240.278 1.808 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001017308829 642968544 /nfs/dbraw/zinc/96/85/44/642968544.db2.gz PWDQFQOHRIKBKI-BETUJISGSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001017308829 642968551 /nfs/dbraw/zinc/96/85/51/642968551.db2.gz PWDQFQOHRIKBKI-BETUJISGSA-N 1 2 234.343 1.341 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001017430378 642973216 /nfs/dbraw/zinc/97/32/16/642973216.db2.gz QVUKOSKERJGLQP-OKILXGFUSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001017430378 642973225 /nfs/dbraw/zinc/97/32/25/642973225.db2.gz QVUKOSKERJGLQP-OKILXGFUSA-N 1 2 244.338 1.261 20 30 BDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)SC ZINC001032287671 643451483 /nfs/dbraw/zinc/45/14/83/643451483.db2.gz NPGWXERXSWOXIV-DCAQKATOSA-N 1 2 240.372 1.209 20 30 BDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)SC ZINC001032287671 643451487 /nfs/dbraw/zinc/45/14/87/643451487.db2.gz NPGWXERXSWOXIV-DCAQKATOSA-N 1 2 240.372 1.209 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C#N)C1CCCC1 ZINC000921545417 643595312 /nfs/dbraw/zinc/59/53/12/643595312.db2.gz FOSNGAIPQAXVNE-LBPRGKRZSA-N 1 2 246.314 1.459 20 30 BDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(C)=O)CC1 ZINC001000345581 643778425 /nfs/dbraw/zinc/77/84/25/643778425.db2.gz LCDINNSPCKKWKQ-UHFFFAOYSA-N 1 2 228.723 1.507 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(C)=O)CC1 ZINC001000345581 643778428 /nfs/dbraw/zinc/77/84/28/643778428.db2.gz LCDINNSPCKKWKQ-UHFFFAOYSA-N 1 2 228.723 1.507 20 30 BDEDLO CCn1cc(C[NH2+]Cc2csc(C#N)c2)nn1 ZINC000922242290 643917836 /nfs/dbraw/zinc/91/78/36/643917836.db2.gz MLULPKVARIMEGJ-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cn(C)nn1 ZINC000922631251 644046351 /nfs/dbraw/zinc/04/63/51/644046351.db2.gz UYEISBVKJNDIGV-QMMMGPOBSA-N 1 2 247.327 1.599 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000951617077 644264371 /nfs/dbraw/zinc/26/43/71/644264371.db2.gz QKWXXXRSPDJTPU-QWHCGFSZSA-N 1 2 234.343 1.363 20 30 BDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)CC)C1 ZINC000923551110 644498150 /nfs/dbraw/zinc/49/81/50/644498150.db2.gz JNRGQWRDSPFWSN-JTQLQIEISA-N 1 2 244.285 1.246 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)CC)C1 ZINC000923551110 644498156 /nfs/dbraw/zinc/49/81/56/644498156.db2.gz JNRGQWRDSPFWSN-JTQLQIEISA-N 1 2 244.285 1.246 20 30 BDEDLO Cc1cnc(CO[NH+]=C(N)Cc2cccnc2)o1 ZINC000092914492 644672104 /nfs/dbraw/zinc/67/21/04/644672104.db2.gz IOZPJZHXUGNCDO-UHFFFAOYSA-N 1 2 246.270 1.410 20 30 BDEDLO CC#CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000801118053 644836674 /nfs/dbraw/zinc/83/66/74/644836674.db2.gz LOBOYWMSBWILOX-UHFFFAOYSA-N 1 2 225.251 1.834 20 30 BDEDLO C#CCO[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459177 644983402 /nfs/dbraw/zinc/98/34/02/644983402.db2.gz RLZOLJYOCMUMAC-GFCCVEGCSA-N 1 2 246.310 1.353 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000825878946 645063464 /nfs/dbraw/zinc/06/34/64/645063464.db2.gz XHOOYQCOZUVBLG-SECBINFHSA-N 1 2 204.277 1.114 20 30 BDEDLO C[C@@H]1COCC[N@H+](Cc2ccncc2C#N)C1 ZINC000828093867 645096466 /nfs/dbraw/zinc/09/64/66/645096466.db2.gz CUQGNBINAIGYPA-NSHDSACASA-N 1 2 231.299 1.422 20 30 BDEDLO C[C@@H]1COCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000828093867 645096468 /nfs/dbraw/zinc/09/64/68/645096468.db2.gz CUQGNBINAIGYPA-NSHDSACASA-N 1 2 231.299 1.422 20 30 BDEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC000847018036 645417292 /nfs/dbraw/zinc/41/72/92/645417292.db2.gz HLLOTMQFPBBMJI-ZJUUUORDSA-N 1 2 221.329 1.944 20 30 BDEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC000847018036 645417302 /nfs/dbraw/zinc/41/73/02/645417302.db2.gz HLLOTMQFPBBMJI-ZJUUUORDSA-N 1 2 221.329 1.944 20 30 BDEDLO N#CC1(C(=O)NCc2ccc(N)[nH+]c2)CCCC1 ZINC000927777148 645655212 /nfs/dbraw/zinc/65/52/12/645655212.db2.gz PSWLCGJFHOKXNR-UHFFFAOYSA-N 1 2 244.298 1.364 20 30 BDEDLO C#CC[N@@H+](Cc1c2c(nn1C)CCCC2)C1CC1 ZINC000877372115 645792985 /nfs/dbraw/zinc/79/29/85/645792985.db2.gz VDUHIOLJVDNGEN-UHFFFAOYSA-N 1 2 243.354 1.897 20 30 BDEDLO C#CC[N@H+](Cc1c2c(nn1C)CCCC2)C1CC1 ZINC000877372115 645792990 /nfs/dbraw/zinc/79/29/90/645792990.db2.gz VDUHIOLJVDNGEN-UHFFFAOYSA-N 1 2 243.354 1.897 20 30 BDEDLO N#CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877484160 645797917 /nfs/dbraw/zinc/79/79/17/645797917.db2.gz WQCZPZKZQIAAKI-UHFFFAOYSA-N 1 2 213.643 1.877 20 30 BDEDLO CC[C@H]([NH2+]C[C@H](C)O)c1cccc(C#N)c1O ZINC000924528399 646047685 /nfs/dbraw/zinc/04/76/85/646047685.db2.gz NEALVWXFZNESFR-CABZTGNLSA-N 1 2 234.299 1.685 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cn(C)cn1)[C@H]1CCCO1 ZINC000926208801 646596014 /nfs/dbraw/zinc/59/60/14/646596014.db2.gz AEQCDVWERHDGLH-NTZNESFSSA-N 1 2 233.315 1.252 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001032854538 711964198 /nfs/dbraw/zinc/96/41/98/711964198.db2.gz TZMOMWTVOLIJMN-NSHDSACASA-N 1 2 242.750 1.682 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001032854538 711964201 /nfs/dbraw/zinc/96/42/01/711964201.db2.gz TZMOMWTVOLIJMN-NSHDSACASA-N 1 2 242.750 1.682 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000708301863 712186139 /nfs/dbraw/zinc/18/61/39/712186139.db2.gz FXMNODJZDRLXAA-LLVKDONJSA-N 1 2 241.331 1.298 20 30 BDEDLO C#CCOCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000708301863 712186142 /nfs/dbraw/zinc/18/61/42/712186142.db2.gz FXMNODJZDRLXAA-LLVKDONJSA-N 1 2 241.331 1.298 20 30 BDEDLO N#CCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710620931 712263833 /nfs/dbraw/zinc/26/38/33/712263833.db2.gz ORZQYBMOESTQFJ-SECBINFHSA-N 1 2 207.302 1.846 20 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C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001038230675 710681342 /nfs/dbraw/zinc/68/13/42/710681342.db2.gz FXNJNZHELJWNRW-LLVKDONJSA-N 1 2 248.351 1.494 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C)C1 ZINC001042433615 710783328 /nfs/dbraw/zinc/78/33/28/710783328.db2.gz AZZICGXJCXLEBX-CMPLNLGQSA-N 1 2 222.332 1.361 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC001042466096 710785809 /nfs/dbraw/zinc/78/58/09/710785809.db2.gz HHNJPZBFRYIBNQ-GFCCVEGCSA-N 1 2 234.343 1.671 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C2=COCCC2)C1 ZINC001042523275 710789935 /nfs/dbraw/zinc/78/99/35/710789935.db2.gz NQGYJUMXBFIYFY-UHFFFAOYSA-N 1 2 236.315 1.009 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@]2(C)CC)C1 ZINC001044116351 710820366 /nfs/dbraw/zinc/82/03/66/710820366.db2.gz JORLLEZRMPISSW-OCCSQVGLSA-N 1 2 236.359 1.751 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038539233 710692016 /nfs/dbraw/zinc/69/20/16/710692016.db2.gz ZMQHJWIVYITOQY-VNHYZAJKSA-N 1 2 246.354 1.390 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038539233 710692020 /nfs/dbraw/zinc/69/20/20/710692020.db2.gz ZMQHJWIVYITOQY-VNHYZAJKSA-N 1 2 246.354 1.390 20 30 BDEDLO Cc1cc(C)[nH+]c(CN2CCOC[C@H]2C#N)c1 ZINC000723620520 711526434 /nfs/dbraw/zinc/52/64/34/711526434.db2.gz MNWFUXSNNVTFTI-CYBMUJFWSA-N 1 2 231.299 1.423 20 30 BDEDLO Cc1cc(C)n(CC[N@@H+]2CCC[C@H](C#N)C2)n1 ZINC000395294936 711693694 /nfs/dbraw/zinc/69/36/94/711693694.db2.gz DILOVGPNZZHEFD-CYBMUJFWSA-N 1 2 232.331 1.736 20 30 BDEDLO Cc1cc(C)n(CC[N@H+]2CCC[C@H](C#N)C2)n1 ZINC000395294936 711693696 /nfs/dbraw/zinc/69/36/96/711693696.db2.gz DILOVGPNZZHEFD-CYBMUJFWSA-N 1 2 232.331 1.736 20 30 BDEDLO N#C[C@]1(F)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893408879 711717268 /nfs/dbraw/zinc/71/72/68/711717268.db2.gz MLZPZTAXVRXVKG-LLVKDONJSA-N 1 2 231.234 1.171 20 30 BDEDLO C=CC[N@H+]1CCCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000980843337 711749516 /nfs/dbraw/zinc/74/95/16/711749516.db2.gz ZPYBYWQHXQCRPX-UHFFFAOYSA-N 1 2 248.330 1.052 20 30 BDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000980843337 711749519 /nfs/dbraw/zinc/74/95/19/711749519.db2.gz ZPYBYWQHXQCRPX-UHFFFAOYSA-N 1 2 248.330 1.052 20 30 BDEDLO C[NH+](C)Cc1csc(CNCCC#N)n1 ZINC000722405767 711754413 /nfs/dbraw/zinc/75/44/13/711754413.db2.gz AHGFOLWJASIXKQ-UHFFFAOYSA-N 1 2 224.333 1.208 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001030098630 711826266 /nfs/dbraw/zinc/82/62/66/711826266.db2.gz LWVFBWWQKHRMKP-GFCCVEGCSA-N 1 2 232.327 1.166 20 30 BDEDLO CC(C)(C#N)CC(=O)OCCCn1cc[nH+]c1 ZINC000785079704 712418768 /nfs/dbraw/zinc/41/87/68/712418768.db2.gz FSFKMSBTHPKWJB-UHFFFAOYSA-N 1 2 235.287 1.756 20 30 BDEDLO C#CCCOC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000859080420 712617525 /nfs/dbraw/zinc/61/75/25/712617525.db2.gz JSXFTWUGXQWKKY-NSHDSACASA-N 1 2 247.298 1.369 20 30 BDEDLO CC#CC[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000930590729 712712883 /nfs/dbraw/zinc/71/28/83/712712883.db2.gz XWGTVDIBRUXWRP-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO CC#CC[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000930590729 712712884 /nfs/dbraw/zinc/71/28/84/712712884.db2.gz XWGTVDIBRUXWRP-UHFFFAOYSA-N 1 2 245.248 1.894 20 30 BDEDLO C=CC[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC001165033097 721864990 /nfs/dbraw/zinc/86/49/90/721864990.db2.gz BNAHSGUXNSAAET-UHFFFAOYSA-N 1 2 242.326 1.570 20 30 BDEDLO CCOC(C[N@@H+]1CCC[C@H](C#N)C1)OCC ZINC000693997797 959668245 /nfs/dbraw/zinc/66/82/45/959668245.db2.gz NQVXCZUMEMHDBC-LLVKDONJSA-N 1 2 226.320 1.621 20 30 BDEDLO CCOC(C[N@H+]1CCC[C@H](C#N)C1)OCC ZINC000693997797 959668252 /nfs/dbraw/zinc/66/82/52/959668252.db2.gz NQVXCZUMEMHDBC-LLVKDONJSA-N 1 2 226.320 1.621 20 30 BDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCC)C1 ZINC001270613324 963024241 /nfs/dbraw/zinc/02/42/41/963024241.db2.gz ZOIDTESUJDOTON-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCC)C1 ZINC001270613324 963024258 /nfs/dbraw/zinc/02/42/58/963024258.db2.gz ZOIDTESUJDOTON-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO CC1(C)OC[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)O1 ZINC000896501112 963467304 /nfs/dbraw/zinc/46/73/04/963467304.db2.gz ORDYVTVCQLVHFQ-QWRGUYRKSA-N 1 2 224.304 1.373 20 30 BDEDLO CC1(C)OC[C@H](C[N@H+]2CCC[C@@H](C#N)C2)O1 ZINC000896501112 963467309 /nfs/dbraw/zinc/46/73/09/963467309.db2.gz ORDYVTVCQLVHFQ-QWRGUYRKSA-N 1 2 224.304 1.373 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001252546789 968783531 /nfs/dbraw/zinc/78/35/31/968783531.db2.gz CDBRSINRZCPZRB-NXEZZACHSA-N 1 2 237.265 1.993 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001252546789 968783540 /nfs/dbraw/zinc/78/35/40/968783540.db2.gz CDBRSINRZCPZRB-NXEZZACHSA-N 1 2 237.265 1.993 20 30 BDEDLO C=C[C@@](C)(O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252546638 968783831 /nfs/dbraw/zinc/78/38/31/968783831.db2.gz BFROVCGFKAXPJZ-JOYOIKCWSA-N 1 2 222.288 1.484 20 30 BDEDLO C=C[C@@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001253571605 969243379 /nfs/dbraw/zinc/24/33/79/969243379.db2.gz HZFSXRQNCNYWFR-LLVKDONJSA-N 1 2 238.287 1.066 20 30 BDEDLO C=C[C@H](O)C[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001253605563 969300933 /nfs/dbraw/zinc/30/09/33/969300933.db2.gz UHNWJWIEGIIJNI-NWDGAFQWSA-N 1 2 241.331 1.245 20 30 BDEDLO C[N@H+](Cc1ncccn1)[C@H]1CC[C@@H](C#N)C1 ZINC001254661507 969772200 /nfs/dbraw/zinc/77/22/00/969772200.db2.gz UTOHNYLUZOAENS-MNOVXSKESA-N 1 2 216.288 1.601 20 30 BDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CC[C@@H](C#N)C1 ZINC001254661507 969772207 /nfs/dbraw/zinc/77/22/07/969772207.db2.gz UTOHNYLUZOAENS-MNOVXSKESA-N 1 2 216.288 1.601 20 30 BDEDLO C=CCCCC(=O)N1CC[NH+](CC#CC)CC1 ZINC001113283185 970398220 /nfs/dbraw/zinc/39/82/20/970398220.db2.gz DQPDUEBOCFBZPX-UHFFFAOYSA-N 1 2 234.343 1.510 20 30 BDEDLO Cc1cc[nH+]c(C)c1OC1CN(CCC#N)C1 ZINC001227263098 975339184 /nfs/dbraw/zinc/33/91/84/975339184.db2.gz BZDVZYSVDVNXOI-UHFFFAOYSA-N 1 2 231.299 1.675 20 30 BDEDLO CC[C@@H](C)[C@H](C[NH+]1CC(O)(CC#N)C1)OC ZINC001332997527 975364049 /nfs/dbraw/zinc/36/40/49/975364049.db2.gz APYAZDIJGAYQCJ-MNOVXSKESA-N 1 2 226.320 1.008 20 30 BDEDLO CCOc1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC001231649235 977661099 /nfs/dbraw/zinc/66/10/99/977661099.db2.gz JIHHFJFCEQGLPV-UHFFFAOYSA-N 1 2 231.299 1.826 20 30 BDEDLO COc1cc[nH+]cc1-n1ccc(C#N)c1N ZINC001176119308 977949348 /nfs/dbraw/zinc/94/93/48/977949348.db2.gz VERDFHFKDBAWMX-UHFFFAOYSA-N 1 2 214.228 1.335 20 30 BDEDLO CCn1c[nH+]cc1CN(CCC#N)CCC#N ZINC001237597327 979955048 /nfs/dbraw/zinc/95/50/48/979955048.db2.gz NCOVTWSGVRFKCT-UHFFFAOYSA-N 1 2 231.303 1.532 20 30 BDEDLO C#CC[N@@H+](C)Cc1ccnn1CC(C)C ZINC001184115630 979955078 /nfs/dbraw/zinc/95/50/78/979955078.db2.gz LLSHYLMLKAADRU-UHFFFAOYSA-N 1 2 205.305 1.604 20 30 BDEDLO C#CC[N@H+](C)Cc1ccnn1CC(C)C ZINC001184115630 979955082 /nfs/dbraw/zinc/95/50/82/979955082.db2.gz LLSHYLMLKAADRU-UHFFFAOYSA-N 1 2 205.305 1.604 20 30 BDEDLO C#C[C@H](NC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001348601299 981405769 /nfs/dbraw/zinc/40/57/69/981405769.db2.gz RGXXKFXIQHZKOM-NSHDSACASA-N 1 2 233.315 1.127 20 30 BDEDLO N#CCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC001349788207 981741619 /nfs/dbraw/zinc/74/16/19/981741619.db2.gz WQXMOROUIRPSAA-UHFFFAOYSA-N 1 2 220.276 1.152 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)/C(C)=C\C)CC1 ZINC001472949515 983415018 /nfs/dbraw/zinc/41/50/18/983415018.db2.gz KGTBZPSBOYUZQC-WZUFQYTHSA-N 1 2 208.305 1.283 20 30 BDEDLO C[C@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866268662 983856486 /nfs/dbraw/zinc/85/64/86/983856486.db2.gz BITAXABYGNGNBU-NXEZZACHSA-N 1 2 234.299 1.685 20 30 BDEDLO C#CC[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OC ZINC001172482903 974784242 /nfs/dbraw/zinc/78/42/42/974784242.db2.gz AVVVSTRFCIYYQP-MNOVXSKESA-N 1 2 222.288 1.223 20 30 BDEDLO CC(C)CC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001256363470 970767186 /nfs/dbraw/zinc/76/71/86/970767186.db2.gz KINSYEBFHGTBOT-VXGBXAGGSA-N 1 2 209.337 1.608 20 30 BDEDLO N#CC1CCC(N2CC[NH2+]CC(F)(F)C2)CC1 ZINC001256964310 971030267 /nfs/dbraw/zinc/03/02/67/971030267.db2.gz UNXZEWBLJCSBJX-UHFFFAOYSA-N 1 2 243.301 1.609 20 30 BDEDLO N#CC1CCC([N@@H+]2CCNCC(F)(F)C2)CC1 ZINC001256964310 971030271 /nfs/dbraw/zinc/03/02/71/971030271.db2.gz UNXZEWBLJCSBJX-UHFFFAOYSA-N 1 2 243.301 1.609 20 30 BDEDLO N#CC1CCC([N@H+]2CCNCC(F)(F)C2)CC1 ZINC001256964310 971030277 /nfs/dbraw/zinc/03/02/77/971030277.db2.gz UNXZEWBLJCSBJX-UHFFFAOYSA-N 1 2 243.301 1.609 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC2(COC2)CC1 ZINC001257904214 971533493 /nfs/dbraw/zinc/53/34/93/971533493.db2.gz CFZDUPFWHCXSLX-LBPRGKRZSA-N 1 2 220.316 1.934 20 30 BDEDLO N#C[C@@H]1CCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257904214 971533503 /nfs/dbraw/zinc/53/35/03/971533503.db2.gz CFZDUPFWHCXSLX-LBPRGKRZSA-N 1 2 220.316 1.934 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnccc1N ZINC001209732194 957529593 /nfs/dbraw/zinc/52/95/93/957529593.db2.gz ZPTJWHSPUFVDKR-UOJUARBOSA-N 1 2 242.326 1.761 20 30 BDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnccc1N ZINC001209732194 957529596 /nfs/dbraw/zinc/52/95/96/957529596.db2.gz ZPTJWHSPUFVDKR-UOJUARBOSA-N 1 2 242.326 1.761 20 30 BDEDLO N#CCc1cc[nH+]c(N2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001167225127 957556856 /nfs/dbraw/zinc/55/68/56/957556856.db2.gz FERAVHQQJPJDIN-CNDDSTCGSA-N 1 2 231.274 1.799 20 30 BDEDLO C#C[C@H](OCC[NH+]1CCOCC1)c1ccncc1 ZINC001210225735 957688391 /nfs/dbraw/zinc/68/83/91/957688391.db2.gz ZLKFYBBVLWRQJU-AWEZNQCLSA-N 1 2 246.310 1.105 20 30 BDEDLO Cc1cccn2c(CN(C)[C@H](C)C#N)c[nH+]c12 ZINC001136966294 972308577 /nfs/dbraw/zinc/30/85/77/972308577.db2.gz YGKINEZBLZAUQO-LLVKDONJSA-N 1 2 228.299 1.987 20 30 BDEDLO C=CC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724742925 959357186 /nfs/dbraw/zinc/35/71/86/959357186.db2.gz CLILFXSBEWDIEO-ZJUUUORDSA-N 1 2 246.301 1.784 20 30 BDEDLO C=CCCCCC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001267635808 960153100 /nfs/dbraw/zinc/15/31/00/960153100.db2.gz JXGGHBZQAFUFQU-UHFFFAOYSA-N 1 2 246.301 1.798 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H](C=C)CC)C1 ZINC001267656660 960179954 /nfs/dbraw/zinc/17/99/54/960179954.db2.gz TYBCGRXJQVYXHJ-GFCCVEGCSA-N 1 2 234.343 1.412 20 30 BDEDLO Cn1cnc2ccc(C[N@H+](C)CCC#N)cc21 ZINC001140735137 960533411 /nfs/dbraw/zinc/53/34/11/960533411.db2.gz UDLCKNZLKIRWBW-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO Cn1cnc2ccc(C[N@@H+](C)CCC#N)cc21 ZINC001140735137 960533422 /nfs/dbraw/zinc/53/34/22/960533422.db2.gz UDLCKNZLKIRWBW-UHFFFAOYSA-N 1 2 228.299 1.919 20 30 BDEDLO C=CCn1cc(-c2ccc[nH+]c2N)cn1 ZINC001222386954 960579349 /nfs/dbraw/zinc/57/93/49/960579349.db2.gz ZELBMSHCLQZERT-UHFFFAOYSA-N 1 2 200.245 1.713 20 30 BDEDLO N#C[C@@H]1COCCN1Cc1ccn2cc[nH+]c2c1 ZINC001141046508 960834569 /nfs/dbraw/zinc/83/45/69/960834569.db2.gz CRUVLLMQQZZPHQ-GFCCVEGCSA-N 1 2 242.282 1.059 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160382 960895769 /nfs/dbraw/zinc/89/57/69/960895769.db2.gz WONIVFDZESXKPH-JTQLQIEISA-N 1 2 232.283 1.833 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160382 960895774 /nfs/dbraw/zinc/89/57/74/960895774.db2.gz WONIVFDZESXKPH-JTQLQIEISA-N 1 2 232.283 1.833 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)[C@@H](C)CC)C1 ZINC001481590553 961278889 /nfs/dbraw/zinc/27/88/89/961278889.db2.gz DLNPWLJYOAWFSG-NWDGAFQWSA-N 1 2 236.359 1.492 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CCc2ccoc2)C1 ZINC001268281391 961531427 /nfs/dbraw/zinc/53/14/27/961531427.db2.gz PJJSUJKHCNMBMJ-UHFFFAOYSA-N 1 2 246.310 1.036 20 30 BDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C(=O)OCC ZINC001167908624 961805253 /nfs/dbraw/zinc/80/52/53/961805253.db2.gz IOPNXXIZKQIABH-CYRBOEJBSA-N 1 2 235.327 1.882 20 30 BDEDLO COC(=O)Cc1ccc(C[N@H+](C)CCC#N)cc1 ZINC001142899138 961819811 /nfs/dbraw/zinc/81/98/11/961819811.db2.gz VQGOKUJZCSGFGV-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO COC(=O)Cc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001142899138 961819815 /nfs/dbraw/zinc/81/98/15/961819815.db2.gz VQGOKUJZCSGFGV-UHFFFAOYSA-N 1 2 246.310 1.748 20 30 BDEDLO Cc1ccc(CN(C)[C@H](C)C#N)c(N)[nH+]1 ZINC001143207463 961944163 /nfs/dbraw/zinc/94/41/63/961944163.db2.gz YDRDIARYQKDWKF-SECBINFHSA-N 1 2 204.277 1.316 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1(C)CC1 ZINC001268978695 962405539 /nfs/dbraw/zinc/40/55/39/962405539.db2.gz GPVWXGUARFFSOW-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1(C)CC1 ZINC001268978695 962405548 /nfs/dbraw/zinc/40/55/48/962405548.db2.gz GPVWXGUARFFSOW-STQMWFEESA-N 1 2 246.354 1.485 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H](C)C2CC2)C1 ZINC001269894038 962818895 /nfs/dbraw/zinc/81/88/95/962818895.db2.gz ZNRIYRLLXHCYFS-LLVKDONJSA-N 1 2 236.359 1.751 20 30 BDEDLO N#CCc1cc[nH+]c(NC[C@@H](O)c2ccco2)c1 ZINC001154877759 962879767 /nfs/dbraw/zinc/87/97/67/962879767.db2.gz GRFQRZRONZUGDV-LLVKDONJSA-N 1 2 243.266 1.886 20 30 BDEDLO Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001155195040 963015457 /nfs/dbraw/zinc/01/54/57/963015457.db2.gz YTXIBAYIOJGQBX-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001155195040 963015469 /nfs/dbraw/zinc/01/54/69/963015469.db2.gz YTXIBAYIOJGQBX-LBPRGKRZSA-N 1 2 246.314 1.004 20 30 BDEDLO Cc1c[nH+]c(NCC2(CO)CCC2)c(/C=N/O)c1 ZINC001156270702 963300449 /nfs/dbraw/zinc/30/04/49/963300449.db2.gz KKBNBHWFNGMCLM-FRKPEAEDSA-N 1 2 249.314 1.773 20 30 BDEDLO N#CCc1cc[nH+]c(NCC2(O)CCOCC2)c1 ZINC001156709431 963442572 /nfs/dbraw/zinc/44/25/72/963442572.db2.gz PFBAPGKUIXJYIJ-UHFFFAOYSA-N 1 2 247.298 1.101 20 30 BDEDLO CN(CCO)c1[nH+]ccc2ccc(C#N)cc21 ZINC001157387093 963592090 /nfs/dbraw/zinc/59/20/90/963592090.db2.gz USWKPAXYIUPSCT-UHFFFAOYSA-N 1 2 227.267 1.535 20 30 BDEDLO CC1(C)OCC(Nc2cc(CC#N)cc[nH+]2)CO1 ZINC001158063514 963800948 /nfs/dbraw/zinc/80/09/48/963800948.db2.gz OROMLKYJGCCIKA-UHFFFAOYSA-N 1 2 247.298 1.711 20 30 BDEDLO N#Cc1cnc(Nc2nccnc2C[NH3+])c(F)c1 ZINC001160245475 964269591 /nfs/dbraw/zinc/26/95/91/964269591.db2.gz CYCBRFJIKICGPW-UHFFFAOYSA-N 1 2 244.233 1.085 20 30 BDEDLO N#CCc1cc[nH+]c(NCCc2nncs2)c1 ZINC001161732819 964719261 /nfs/dbraw/zinc/71/92/61/964719261.db2.gz ZZYVKTTWRYCLFU-UHFFFAOYSA-N 1 2 245.311 1.654 20 30 BDEDLO Cc1cc(=[NH+]c2ccncc2C#N)s[nH]1 ZINC001214004825 964921859 /nfs/dbraw/zinc/92/18/59/964921859.db2.gz UUISLNHMHRCOJC-UHFFFAOYSA-N 1 2 216.269 1.884 20 30 BDEDLO C#CCCCNc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001162434477 964972654 /nfs/dbraw/zinc/97/26/54/964972654.db2.gz UKWUUYIWALFZFK-UHFFFAOYSA-N 1 2 246.314 1.885 20 30 BDEDLO N#CCc1cc[nH+]c(N[C@H]2CCC[C@H]2CO)c1 ZINC001162607639 965077042 /nfs/dbraw/zinc/07/70/42/965077042.db2.gz CVLXDXKLGUPHOS-RYUDHWBXSA-N 1 2 231.299 1.721 20 30 BDEDLO C=C(C)CNc1cc(N(C)CC)nc[nH+]1 ZINC001163374102 965372906 /nfs/dbraw/zinc/37/29/06/965372906.db2.gz JPROCBZEANQZHT-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO C=C(C)CNc1cc(N(C)CC)[nH+]cn1 ZINC001163374102 965372924 /nfs/dbraw/zinc/37/29/24/965372924.db2.gz JPROCBZEANQZHT-UHFFFAOYSA-N 1 2 206.293 1.921 20 30 BDEDLO C[C@@]1(CO)CCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001164146542 965762217 /nfs/dbraw/zinc/76/22/17/965762217.db2.gz BPLIFTHYKQVXJM-CYBMUJFWSA-N 1 2 231.299 1.356 20 30 BDEDLO CC(C)Oc1cccc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164651389 965936619 /nfs/dbraw/zinc/93/66/19/965936619.db2.gz FOHJKBPQVKTVRB-LLVKDONJSA-N 1 2 246.314 1.171 20 30 BDEDLO Cc1nc(N2CC[NH2+]C[C@H]2C#N)ccc1Cl ZINC001164642032 965937221 /nfs/dbraw/zinc/93/72/21/965937221.db2.gz RKTRSRJRSYGJAY-SECBINFHSA-N 1 2 236.706 1.345 20 30 BDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2c(n1)CCCC2 ZINC001164642808 965939568 /nfs/dbraw/zinc/93/95/68/965939568.db2.gz YXJWTLZLYZZQLE-GFCCVEGCSA-N 1 2 242.326 1.262 20 30 BDEDLO C=CCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737218 966778627 /nfs/dbraw/zinc/77/86/27/966778627.db2.gz MOJKULQKJLNLOC-ZETCQYMHSA-N 1 2 242.216 1.169 20 30 BDEDLO C=CCC[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737218 966778651 /nfs/dbraw/zinc/77/86/51/966778651.db2.gz MOJKULQKJLNLOC-ZETCQYMHSA-N 1 2 242.216 1.169 20 30 BDEDLO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC ZINC001203906913 966819379 /nfs/dbraw/zinc/81/93/79/966819379.db2.gz GBKZMUVSSOAFKW-NSHDSACASA-N 1 2 246.310 1.942 20 30 BDEDLO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC ZINC001203906913 966819383 /nfs/dbraw/zinc/81/93/83/966819383.db2.gz GBKZMUVSSOAFKW-NSHDSACASA-N 1 2 246.310 1.942 20 30 BDEDLO CC[C@@H](CO)Nc1cc(CC#N)cc[nH+]1 ZINC001163045976 967986345 /nfs/dbraw/zinc/98/63/45/967986345.db2.gz WCYRIKRRSMYXIC-JTQLQIEISA-N 1 2 205.261 1.330 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)CCCC)C1 ZINC001494342524 968007345 /nfs/dbraw/zinc/00/73/45/968007345.db2.gz YZTYPFZWYBTXNJ-UHFFFAOYSA-N 1 2 210.321 1.553 20 30 BDEDLO CC[C@@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001251784442 968324288 /nfs/dbraw/zinc/32/42/88/968324288.db2.gz MMJBWLJATVWKHR-GFCCVEGCSA-N 1 2 246.310 1.392 20 30 BDEDLO CCOc1cc[nH+]cc1Nc1ccnc(C#N)c1 ZINC001206594035 968407897 /nfs/dbraw/zinc/40/78/97/968407897.db2.gz FWGORNBOQKELOJ-UHFFFAOYSA-N 1 2 240.266 1.912 20 30 BDEDLO CC[N@H+](Cc1csc(C#N)c1)[C@H]1CCNC1=O ZINC001119967090 968487699 /nfs/dbraw/zinc/48/76/99/968487699.db2.gz HOTIOLHPZYWRAV-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO CC[N@@H+](Cc1csc(C#N)c1)[C@H]1CCNC1=O ZINC001119967090 968487707 /nfs/dbraw/zinc/48/77/07/968487707.db2.gz HOTIOLHPZYWRAV-NSHDSACASA-N 1 2 249.339 1.330 20 30 BDEDLO C=CCCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001099956232 968621416 /nfs/dbraw/zinc/62/14/16/968621416.db2.gz OTLKVTHKLNCEAG-UHFFFAOYSA-N 1 2 248.330 1.304 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC001253455321 969183422 /nfs/dbraw/zinc/18/34/22/969183422.db2.gz FULMTZBTSGGTEB-WDEREUQCSA-N 1 2 226.320 1.008 20 30 BDEDLO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC001253455321 969183426 /nfs/dbraw/zinc/18/34/26/969183426.db2.gz FULMTZBTSGGTEB-WDEREUQCSA-N 1 2 226.320 1.008 20 30 BDEDLO C=CC[C@@H]([NH2+]C[C@H](O)CCCCC)C(=O)OC ZINC001253554586 969226322 /nfs/dbraw/zinc/22/63/22/969226322.db2.gz LITVKFNRYPAVCM-VXGBXAGGSA-N 1 2 243.347 1.635 20 30 BDEDLO C=C[C@@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001253568627 969239063 /nfs/dbraw/zinc/23/90/63/969239063.db2.gz JCBNDBRHXQWWEN-SNVBAGLBSA-N 1 2 208.261 1.439 20 30 BDEDLO C=C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001253585986 969264708 /nfs/dbraw/zinc/26/47/08/969264708.db2.gz IBQYZYIZPWDPJF-OLZOCXBDSA-N 1 2 234.299 1.002 20 30 BDEDLO C=C[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001253585986 969264717 /nfs/dbraw/zinc/26/47/17/969264717.db2.gz IBQYZYIZPWDPJF-OLZOCXBDSA-N 1 2 234.299 1.002 20 30 BDEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979251 969299068 /nfs/dbraw/zinc/29/90/68/969299068.db2.gz XUCZYFDCRMDBQQ-HBNTYKKESA-N 1 2 225.292 1.714 20 30 BDEDLO N#CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168978290 969299174 /nfs/dbraw/zinc/29/91/74/969299174.db2.gz QSQCYGSEWDCLDS-MNOVXSKESA-N 1 2 237.303 1.858 20 30 BDEDLO C=CC[C@@](C)([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC001253748248 969365812 /nfs/dbraw/zinc/36/58/12/969365812.db2.gz DPZLDVZDZSLQIA-GXFFZTMASA-N 1 2 243.347 1.491 20 30 BDEDLO CC(=O)N1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001254417089 969611622 /nfs/dbraw/zinc/61/16/22/969611622.db2.gz NEABTVXNFSYEAA-UHFFFAOYSA-N 1 2 249.358 1.813 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001254674859 969782263 /nfs/dbraw/zinc/78/22/63/969782263.db2.gz COSJSKUDQJWFNY-QWRGUYRKSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@H]1CC[C@H]([N@H+]2CCn3nccc3C2)C1 ZINC001254674859 969782264 /nfs/dbraw/zinc/78/22/64/969782264.db2.gz COSJSKUDQJWFNY-QWRGUYRKSA-N 1 2 216.288 1.391 20 30 BDEDLO N#C[C@@H]1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001210192376 969824318 /nfs/dbraw/zinc/82/43/18/969824318.db2.gz PLXYUNYRMKDCOU-VXGBXAGGSA-N 1 2 224.304 1.027 20 30 BDEDLO O=C1C=C2C[N@H+](C3CCOCC3)CCC2S1 ZINC001255039474 969862043 /nfs/dbraw/zinc/86/20/43/969862043.db2.gz LJJYPVGCDSRVGP-LLVKDONJSA-N 1 2 239.340 1.440 20 30 BDEDLO O=C1C=C2C[N@@H+](C3CCOCC3)CCC2S1 ZINC001255039474 969862046 /nfs/dbraw/zinc/86/20/46/969862046.db2.gz LJJYPVGCDSRVGP-LLVKDONJSA-N 1 2 239.340 1.440 20 30 BDEDLO O=C1C=C2C[N@H+](C3CCOCC3)CC[C@H]2S1 ZINC001255039474 969862050 /nfs/dbraw/zinc/86/20/50/969862050.db2.gz LJJYPVGCDSRVGP-LLVKDONJSA-N 1 2 239.340 1.440 20 30 BDEDLO 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O=C1C=C2C[N@H+]([C@@H]3CCSC3)CCC2S1 ZINC001255283815 970041359 /nfs/dbraw/zinc/04/13/59/970041359.db2.gz CDIVEVZIZVGIFH-ZJUUUORDSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCSC3)CCC2S1 ZINC001255283815 970041361 /nfs/dbraw/zinc/04/13/61/970041361.db2.gz CDIVEVZIZVGIFH-ZJUUUORDSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@H+]([C@@H]3CCSC3)CC[C@@H]2S1 ZINC001255283815 970041376 /nfs/dbraw/zinc/04/13/76/970041376.db2.gz CDIVEVZIZVGIFH-ZJUUUORDSA-N 1 2 241.381 1.766 20 30 BDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCSC3)CC[C@@H]2S1 ZINC001255283815 970041382 /nfs/dbraw/zinc/04/13/82/970041382.db2.gz CDIVEVZIZVGIFH-ZJUUUORDSA-N 1 2 241.381 1.766 20 30 BDEDLO C#Cc1cc(Nc2ccc(O)cc2OC)cc[nH+]1 ZINC001213092944 970270358 /nfs/dbraw/zinc/27/03/58/970270358.db2.gz WCWZVDWHQWLJKQ-UHFFFAOYSA-N 1 2 240.262 1.943 20 30 BDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170105757 970303939 /nfs/dbraw/zinc/30/39/39/970303939.db2.gz SSPIIQZHUMMZEU-VGMNWLOBSA-N 1 2 217.334 1.236 20 30 BDEDLO 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BDEDLO CCCC[N@@H+](CC#N)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178634 974433670 /nfs/dbraw/zinc/43/36/70/974433670.db2.gz GUNFRBFQFYIRSS-QWHCGFSZSA-N 1 2 249.358 1.765 20 30 BDEDLO N#CCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001331479322 974737411 /nfs/dbraw/zinc/73/74/11/974737411.db2.gz SWBCIYJYSQTSPA-JTQLQIEISA-N 1 2 232.287 1.528 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OCC ZINC001331728949 974805487 /nfs/dbraw/zinc/80/54/87/974805487.db2.gz QNEPAVJGSKEVKS-SDDRHHMPSA-N 1 2 241.331 1.651 20 30 BDEDLO N#CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332347226 975063788 /nfs/dbraw/zinc/06/37/88/975063788.db2.gz AMXCTYWYSBPQFR-NXEZZACHSA-N 1 2 232.287 1.323 20 30 BDEDLO N#CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332347226 975063794 /nfs/dbraw/zinc/06/37/94/975063794.db2.gz AMXCTYWYSBPQFR-NXEZZACHSA-N 1 2 232.287 1.323 20 30 BDEDLO CC1(C#N)C[NH+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173757426 975547342 /nfs/dbraw/zinc/54/73/42/975547342.db2.gz WQMRNWMIDWIGDB-GHMZBOCLSA-N 1 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1.800 20 30 BDEDLO N#C[C@H]1CCC[N@@H+](Cc2ncco2)CC1 ZINC000260283312 977376660 /nfs/dbraw/zinc/37/66/60/977376660.db2.gz YLSBIAUVCOPBOZ-JTQLQIEISA-N 1 2 205.261 1.800 20 30 BDEDLO C#Cc1nccnc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175339137 977387461 /nfs/dbraw/zinc/38/74/61/977387461.db2.gz YEMWKYKNGSEOQM-UHFFFAOYSA-N 1 2 239.282 1.663 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491140 977615014 /nfs/dbraw/zinc/61/50/14/977615014.db2.gz GLLBWPJRYIPIQW-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491140 977615020 /nfs/dbraw/zinc/61/50/20/977615020.db2.gz GLLBWPJRYIPIQW-SNVBAGLBSA-N 1 2 226.283 1.908 20 30 BDEDLO N#Cc1csc(C[N@H+]2C3CCC2(CO)CC3)n1 ZINC001336285974 977615966 /nfs/dbraw/zinc/61/59/66/977615966.db2.gz FGEOZXJKTPEYFQ-UHFFFAOYSA-N 1 2 249.339 1.504 20 30 BDEDLO N#Cc1csc(C[N@@H+]2C3CCC2(CO)CC3)n1 ZINC001336285974 977615970 /nfs/dbraw/zinc/61/59/70/977615970.db2.gz FGEOZXJKTPEYFQ-UHFFFAOYSA-N 1 2 249.339 1.504 20 30 BDEDLO C#CC[N@@H+](C)Cc1cccnc1OCC ZINC001231767853 977741846 /nfs/dbraw/zinc/74/18/46/977741846.db2.gz GFMCSWZLKCSTAG-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO C#CC[N@H+](C)Cc1cccnc1OCC ZINC001231767853 977741856 /nfs/dbraw/zinc/74/18/56/977741856.db2.gz GFMCSWZLKCSTAG-UHFFFAOYSA-N 1 2 204.273 1.545 20 30 BDEDLO N#CCC1C[NH+](Cc2cc3ccncc3[nH]2)C1 ZINC001232088793 977890225 /nfs/dbraw/zinc/89/02/25/977890225.db2.gz JJRABQADENHHEK-UHFFFAOYSA-N 1 2 226.283 1.908 20 30 BDEDLO C=CCC[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001336761231 977930066 /nfs/dbraw/zinc/93/00/66/977930066.db2.gz ZKOFLKMSNUAYKY-LBPRGKRZSA-N 1 2 247.342 1.920 20 30 BDEDLO Cc1[nH+]c(N)ccc1CN1CC(C)(C#N)C1 ZINC001232340732 978017638 /nfs/dbraw/zinc/01/76/38/978017638.db2.gz YVEHRTOZYIMOBL-UHFFFAOYSA-N 1 2 216.288 1.318 20 30 BDEDLO CCCN(CCC#N)Cc1c[nH+]c(C)[nH]1 ZINC001232462876 978096350 /nfs/dbraw/zinc/09/63/50/978096350.db2.gz WWIKCKMPDKTDEV-UHFFFAOYSA-N 1 2 206.293 1.844 20 30 BDEDLO CCCN(CCC#N)Cc1c[nH]c(C)[nH+]1 ZINC001232462876 978096360 /nfs/dbraw/zinc/09/63/60/978096360.db2.gz WWIKCKMPDKTDEV-UHFFFAOYSA-N 1 2 206.293 1.844 20 30 BDEDLO N#Cc1ccnc(C[NH+]2CC3(C2)CCOC3)c1 ZINC001232475628 978128301 /nfs/dbraw/zinc/12/83/01/978128301.db2.gz RHDMGDBFJBEVBS-UHFFFAOYSA-N 1 2 229.283 1.176 20 30 BDEDLO COC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673785 978228694 /nfs/dbraw/zinc/22/86/94/978228694.db2.gz NETZFDXFRHJLAX-CYBMUJFWSA-N 1 2 246.310 1.875 20 30 BDEDLO COC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673785 978228702 /nfs/dbraw/zinc/22/87/02/978228702.db2.gz NETZFDXFRHJLAX-CYBMUJFWSA-N 1 2 246.310 1.875 20 30 BDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232673548 978233069 /nfs/dbraw/zinc/23/30/69/978233069.db2.gz IVFMTKUHGXFZQB-QMTHXVAHSA-N 1 2 246.310 1.467 20 30 BDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1O ZINC001232673548 978233081 /nfs/dbraw/zinc/23/30/81/978233081.db2.gz IVFMTKUHGXFZQB-QMTHXVAHSA-N 1 2 246.310 1.467 20 30 BDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001232675166 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978417505 /nfs/dbraw/zinc/41/75/05/978417505.db2.gz LHCHCEMMNPPPBG-NSHDSACASA-N 1 2 219.288 1.497 20 30 BDEDLO CC(=O)[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047673 978438039 /nfs/dbraw/zinc/43/80/39/978438039.db2.gz IGQYWVYPLHLPQT-GFCCVEGCSA-N 1 2 231.299 1.687 20 30 BDEDLO CC(=O)[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047673 978438054 /nfs/dbraw/zinc/43/80/54/978438054.db2.gz IGQYWVYPLHLPQT-GFCCVEGCSA-N 1 2 231.299 1.687 20 30 BDEDLO CSCC[N@H+](C)Cc1[nH]ccc1C#N ZINC001233048930 978440665 /nfs/dbraw/zinc/44/06/65/978440665.db2.gz RSJHPPNTLIOFKA-UHFFFAOYSA-N 1 2 209.318 1.681 20 30 BDEDLO CSCC[N@@H+](C)Cc1[nH]ccc1C#N ZINC001233048930 978440679 /nfs/dbraw/zinc/44/06/79/978440679.db2.gz RSJHPPNTLIOFKA-UHFFFAOYSA-N 1 2 209.318 1.681 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001233082774 978466630 /nfs/dbraw/zinc/46/66/30/978466630.db2.gz YTGKNMCAKQZXCV-OKILXGFUSA-N 1 2 228.295 1.840 20 30 BDEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001233082774 978466637 /nfs/dbraw/zinc/46/66/37/978466637.db2.gz YTGKNMCAKQZXCV-OKILXGFUSA-N 1 2 228.295 1.840 20 30 BDEDLO N#C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001177995181 978494218 /nfs/dbraw/zinc/49/42/18/978494218.db2.gz UKQDLIMLGSMHDR-SNVBAGLBSA-N 1 2 232.287 1.247 20 30 BDEDLO Cc1coc(NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001177994427 978494718 /nfs/dbraw/zinc/49/47/18/978494718.db2.gz VHHGSCBKWUCHGE-UHFFFAOYSA-N 1 2 244.254 1.754 20 30 BDEDLO CC(=O)/C=C(/C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117716 978505619 /nfs/dbraw/zinc/50/56/19/978505619.db2.gz FHEVSZNJRWKWTQ-GXMKHXEJSA-N 1 2 247.298 1.055 20 30 BDEDLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(C#N)ccn1 ZINC001337821959 978514226 /nfs/dbraw/zinc/51/42/26/978514226.db2.gz PKFGCJZQUSXUCI-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO CN1CCC[N@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383697 978592636 /nfs/dbraw/zinc/59/26/36/978592636.db2.gz RZEHQRGLQYJCNZ-UHFFFAOYSA-N 1 2 245.326 1.401 20 30 BDEDLO CN1CCC[N@@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383697 978592640 /nfs/dbraw/zinc/59/26/40/978592640.db2.gz RZEHQRGLQYJCNZ-UHFFFAOYSA-N 1 2 245.326 1.401 20 30 BDEDLO C[N@@H+]1CCCN(Cc2ccc(C#N)cc2O)CC1 ZINC001233383697 978592644 /nfs/dbraw/zinc/59/26/44/978592644.db2.gz RZEHQRGLQYJCNZ-UHFFFAOYSA-N 1 2 245.326 1.401 20 30 BDEDLO C[N@H+]1CCCN(Cc2ccc(C#N)cc2O)CC1 ZINC001233383697 978592649 /nfs/dbraw/zinc/59/26/49/978592649.db2.gz RZEHQRGLQYJCNZ-UHFFFAOYSA-N 1 2 245.326 1.401 20 30 BDEDLO CC[N@H+](CCC#N)Cc1cc(O)c(O)cc1O ZINC001233485290 978612191 /nfs/dbraw/zinc/61/21/91/978612191.db2.gz POPRDKMWFSCFFI-UHFFFAOYSA-N 1 2 236.271 1.539 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1cc(O)c(O)cc1O ZINC001233485290 978612198 /nfs/dbraw/zinc/61/21/98/978612198.db2.gz POPRDKMWFSCFFI-UHFFFAOYSA-N 1 2 236.271 1.539 20 30 BDEDLO C=C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001338364897 978665304 /nfs/dbraw/zinc/66/53/04/978665304.db2.gz WXBJHFRAFMRPML-VIFPVBQESA-N 1 2 221.304 1.617 20 30 BDEDLO C#CCO[C@@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179092272 978668149 /nfs/dbraw/zinc/66/81/49/978668149.db2.gz LIPTWVOULCKLNS-JTQLQIEISA-N 1 2 249.314 1.188 20 30 BDEDLO C#CCO[C@@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179092272 978668153 /nfs/dbraw/zinc/66/81/53/978668153.db2.gz LIPTWVOULCKLNS-JTQLQIEISA-N 1 2 249.314 1.188 20 30 BDEDLO C[C@H](CC#N)[NH2+]Cc1ccnn1-c1ccccn1 ZINC001179479491 978709745 /nfs/dbraw/zinc/70/97/45/978709745.db2.gz NGUJBUWLXYPQMW-LLVKDONJSA-N 1 2 241.298 1.659 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001181298933 979035609 /nfs/dbraw/zinc/03/56/09/979035609.db2.gz ODTUODYRIVCIBR-LLVKDONJSA-N 1 2 222.332 1.363 20 30 BDEDLO Cc1[nH+]cn(C)c1CN(CCC#N)CCC#N ZINC001235546364 979085164 /nfs/dbraw/zinc/08/51/64/979085164.db2.gz CLRGEJLLJZXENK-UHFFFAOYSA-N 1 2 231.303 1.358 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001602803544 979243584 /nfs/dbraw/zinc/24/35/84/979243584.db2.gz DHIDPDCSSROFIV-IJLUTSLNSA-N 1 2 249.314 1.405 20 30 BDEDLO C=C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001602803544 979243597 /nfs/dbraw/zinc/24/35/97/979243597.db2.gz DHIDPDCSSROFIV-IJLUTSLNSA-N 1 2 249.314 1.405 20 30 BDEDLO C#CC(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001182632314 979567437 /nfs/dbraw/zinc/56/74/37/979567437.db2.gz IHGMCXBKSAGAMU-UHFFFAOYSA-N 1 2 227.267 1.932 20 30 BDEDLO C#CC(C)(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001182635605 979574414 /nfs/dbraw/zinc/57/44/14/979574414.db2.gz CCKCFBKLPUARHA-NSHDSACASA-N 1 2 245.326 1.775 20 30 BDEDLO N#Cc1cc(C[NH+]2CC3(CSC3)C2)ccn1 ZINC001237461564 979905758 /nfs/dbraw/zinc/90/57/58/979905758.db2.gz BPORCKGEPJOMCF-UHFFFAOYSA-N 1 2 231.324 1.502 20 30 BDEDLO CCn1c[nH+]cc1CN1CC[C@H](C#N)C1 ZINC001237592118 979948563 /nfs/dbraw/zinc/94/85/63/979948563.db2.gz BYTABKUWHNNIEL-SNVBAGLBSA-N 1 2 204.277 1.248 20 30 BDEDLO CCn1c[nH+]cc1CN1CCCC[C@@H]1C#N ZINC001237597765 979955937 /nfs/dbraw/zinc/95/59/37/979955937.db2.gz XTJCSTRCTWBTJA-LLVKDONJSA-N 1 2 218.304 1.781 20 30 BDEDLO Cc1cnc(C[N@@H+]2CCC[C@H](C#N)CC2)nc1 ZINC001237808906 980058655 /nfs/dbraw/zinc/05/86/55/980058655.db2.gz SYRRYFUIMUCCJI-LBPRGKRZSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1cnc(C[N@H+]2CCC[C@H](C#N)CC2)nc1 ZINC001237808906 980058663 /nfs/dbraw/zinc/05/86/63/980058663.db2.gz SYRRYFUIMUCCJI-LBPRGKRZSA-N 1 2 230.315 1.911 20 30 BDEDLO C#CC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001344058799 980331844 /nfs/dbraw/zinc/33/18/44/980331844.db2.gz NPUBKKYIUFMUCY-GHMZBOCLSA-N 1 2 220.272 1.789 20 30 BDEDLO Cc1ccc(CC[NH+]2CCOCC2)c(C#N)c1 ZINC001250278044 980649695 /nfs/dbraw/zinc/64/96/95/980649695.db2.gz RKSWFBSDODUMMK-UHFFFAOYSA-N 1 2 230.311 1.741 20 30 BDEDLO Cc1cc(CC[NH+]2CCOCC2)cnc1C#N ZINC001250277662 980650026 /nfs/dbraw/zinc/65/00/26/980650026.db2.gz LGDNIPRBMFYNDY-UHFFFAOYSA-N 1 2 231.299 1.136 20 30 BDEDLO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ncon1 ZINC001346311356 980809404 /nfs/dbraw/zinc/80/94/04/980809404.db2.gz GBWZJWOHMDROJZ-IUCAKERBSA-N 1 2 238.291 1.021 20 30 BDEDLO CN(C)C(=O)OCC[N@H+](C)CC(C)(C)C#N ZINC001347623282 981131466 /nfs/dbraw/zinc/13/14/66/981131466.db2.gz ZRKYLOXTRITILI-UHFFFAOYSA-N 1 2 227.308 1.166 20 30 BDEDLO CN(C)C(=O)OCC[N@@H+](C)CC(C)(C)C#N ZINC001347623282 981131469 /nfs/dbraw/zinc/13/14/69/981131469.db2.gz ZRKYLOXTRITILI-UHFFFAOYSA-N 1 2 227.308 1.166 20 30 BDEDLO C=CCCC(=O)NCCc1[nH+]ccn1C ZINC001348214677 981311819 /nfs/dbraw/zinc/31/18/19/981311819.db2.gz WCNYKGLYANBVKY-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO C=CC[N@@H+](C)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001348470218 981369491 /nfs/dbraw/zinc/36/94/91/981369491.db2.gz KHCOSNNCUVFLPI-AWEZNQCLSA-N 1 2 244.338 1.905 20 30 BDEDLO C=CC[N@H+](C)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001348470218 981369498 /nfs/dbraw/zinc/36/94/98/981369498.db2.gz KHCOSNNCUVFLPI-AWEZNQCLSA-N 1 2 244.338 1.905 20 30 BDEDLO C=CCOC(=O)N(CC)CCn1cc[nH+]c1 ZINC001194311324 981649385 /nfs/dbraw/zinc/64/93/85/981649385.db2.gz NFNUQIYAGDMOLZ-UHFFFAOYSA-N 1 2 223.276 1.528 20 30 BDEDLO N#CCc1ccncc1-c1cc[nH+]c(N)c1 ZINC001241170926 982323409 /nfs/dbraw/zinc/32/34/09/982323409.db2.gz YBTHVMQDTXJUJX-UHFFFAOYSA-N 1 2 210.240 1.792 20 30 BDEDLO C#C[C@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC001352021897 982440369 /nfs/dbraw/zinc/44/03/69/982440369.db2.gz IWZFTLZJDKCHIU-SNVBAGLBSA-N 1 2 219.288 1.007 20 30 BDEDLO Cn1cc[nH+]c1CCNC(=O)CC(C)(C)C#N ZINC001352867391 982615004 /nfs/dbraw/zinc/61/50/04/982615004.db2.gz GUPVZGARNBIVLS-UHFFFAOYSA-N 1 2 234.303 1.019 20 30 BDEDLO Cn1ncc(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201278761 983178509 /nfs/dbraw/zinc/17/85/09/983178509.db2.gz FPSJOGMLYCPZBJ-UHFFFAOYSA-N 1 2 214.232 1.013 20 30 BDEDLO Cc1cc(N)[nH+]cc1-c1ncc(C#N)nc1C ZINC001242079136 983327502 /nfs/dbraw/zinc/32/75/02/983327502.db2.gz ZIVZAOQHXLSMRB-UHFFFAOYSA-N 1 2 225.255 1.609 20 30 BDEDLO N#Cc1ncccc1-c1[nH+]ccc2c1CCN2 ZINC001242308503 983531609 /nfs/dbraw/zinc/53/16/09/983531609.db2.gz GSQKAICAXWWKAK-UHFFFAOYSA-N 1 2 222.251 1.983 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](O)CCCC)C(=O)OC ZINC001252111611 983691019 /nfs/dbraw/zinc/69/10/19/983691019.db2.gz YMAZQZGSCIYNCE-MNOVXSKESA-N 1 2 229.320 1.245 20 30 BDEDLO C=C[C@@](C)(O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001252556484 983816178 /nfs/dbraw/zinc/81/61/78/983816178.db2.gz CEZYDQLAWJXCOD-RKDXNWHRSA-N 1 2 239.237 1.187 20 30 BDEDLO C=C[C@@](C)(O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001252556484 983816179 /nfs/dbraw/zinc/81/61/79/983816179.db2.gz CEZYDQLAWJXCOD-RKDXNWHRSA-N 1 2 239.237 1.187 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001588732019 984015246 /nfs/dbraw/zinc/01/52/46/984015246.db2.gz UHWQVCDUZSIIPB-TUAOUCFPSA-N 1 2 238.331 1.184 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001588732019 984015251 /nfs/dbraw/zinc/01/52/51/984015251.db2.gz UHWQVCDUZSIIPB-TUAOUCFPSA-N 1 2 238.331 1.184 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001588732019 984015260 /nfs/dbraw/zinc/01/52/60/984015260.db2.gz UHWQVCDUZSIIPB-TUAOUCFPSA-N 1 2 238.331 1.184 20 30 BDEDLO C=CC[C@@H](C(=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001588732019 984015270 /nfs/dbraw/zinc/01/52/70/984015270.db2.gz UHWQVCDUZSIIPB-TUAOUCFPSA-N 1 2 238.331 1.184 20 30 BDEDLO C=CCC1(O)CC[NH+](Cc2nc(C)no2)CC1 ZINC000717398944 984189780 /nfs/dbraw/zinc/18/97/80/984189780.db2.gz QPGYEQGYNFXPFM-UHFFFAOYSA-N 1 2 237.303 1.281 20 30 BDEDLO CCc1[nH]c(CNC(=O)[C@H](C)CC#N)c[nH+]1 ZINC001456146481 985118666 /nfs/dbraw/zinc/11/86/66/985118666.db2.gz YJJQYVVYDRXDGA-MRVPVSSYSA-N 1 2 220.276 1.138 20 30 BDEDLO CCc1[nH]cc(CNC(=O)[C@H](C)CC#N)[nH+]1 ZINC001456146481 985118671 /nfs/dbraw/zinc/11/86/71/985118671.db2.gz YJJQYVVYDRXDGA-MRVPVSSYSA-N 1 2 220.276 1.138 20 30 BDEDLO N#Cc1cnccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001244334217 985975131 /nfs/dbraw/zinc/97/51/31/985975131.db2.gz KCZZDBOBLMDCKM-UHFFFAOYSA-N 1 2 235.250 1.850 20 30 BDEDLO C=C[C@H](O)CNc1ccc[nH+]c1N1CCCC1 ZINC001253569359 986079676 /nfs/dbraw/zinc/07/96/76/986079676.db2.gz WXVQECZUUZNMQM-NSHDSACASA-N 1 2 233.315 1.641 20 30 BDEDLO C=C[C@@H](O)CNc1cccc2[nH+]c[nH]c21 ZINC001253588768 986183661 /nfs/dbraw/zinc/18/36/61/986183661.db2.gz HYTMZDWTHZNHKH-MRVPVSSYSA-N 1 2 203.245 1.522 20 30 BDEDLO COc1ccc(-c2c[nH+]cn2C)cc1C#N ZINC001244708117 986316935 /nfs/dbraw/zinc/31/69/35/986316935.db2.gz FAWRAQHFAWNSKS-UHFFFAOYSA-N 1 2 213.240 1.967 20 30 BDEDLO C#Cc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000393757287 986321300 /nfs/dbraw/zinc/32/13/00/986321300.db2.gz XUSUXNNQKGWUDN-UHFFFAOYSA-N 1 2 212.252 1.946 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001472021502 987160622 /nfs/dbraw/zinc/16/06/22/987160622.db2.gz YDOMVCLDIOARFI-MNOVXSKESA-N 1 2 249.314 1.179 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001472021502 987160638 /nfs/dbraw/zinc/16/06/38/987160638.db2.gz YDOMVCLDIOARFI-MNOVXSKESA-N 1 2 249.314 1.179 20 30 BDEDLO C=C[C@](C)(O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472094165 987172986 /nfs/dbraw/zinc/17/29/86/987172986.db2.gz LXKCWMQVDONQSZ-LBPRGKRZSA-N 1 2 237.303 1.086 20 30 BDEDLO C=C[C@](C)(O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472094165 987172994 /nfs/dbraw/zinc/17/29/94/987172994.db2.gz LXKCWMQVDONQSZ-LBPRGKRZSA-N 1 2 237.303 1.086 20 30 BDEDLO C[C@H](C#N)OCC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000699972398 987380626 /nfs/dbraw/zinc/38/06/26/987380626.db2.gz YXAIWSUXLLLRDD-GMTAPVOTSA-N 1 2 224.304 1.072 20 30 BDEDLO N#Cc1ccc(C[NH2+]Cc2cnsc2)nc1 ZINC001474168096 987653071 /nfs/dbraw/zinc/65/30/71/987653071.db2.gz VQTCNCALEDRZPQ-UHFFFAOYSA-N 1 2 230.296 1.700 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001480097331 987942054 /nfs/dbraw/zinc/94/20/54/987942054.db2.gz BIRPKYPMIQJOIJ-TXEJJXNPSA-N 1 2 238.306 1.045 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001480097331 987942060 /nfs/dbraw/zinc/94/20/60/987942060.db2.gz BIRPKYPMIQJOIJ-TXEJJXNPSA-N 1 2 238.306 1.045 20 30 BDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)C ZINC001322115992 988122017 /nfs/dbraw/zinc/12/20/17/988122017.db2.gz DNEVBRQZUBXXNL-JTQLQIEISA-N 1 2 232.755 1.831 20 30 BDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)C ZINC001322115992 988122030 /nfs/dbraw/zinc/12/20/30/988122030.db2.gz DNEVBRQZUBXXNL-JTQLQIEISA-N 1 2 232.755 1.831 20 30 BDEDLO C#CCNC(=O)C[N@@H+](CC)Cc1ccccc1F ZINC001322119418 988123008 /nfs/dbraw/zinc/12/30/08/988123008.db2.gz CYGWITUYVSUZDF-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO C#CCNC(=O)C[N@H+](CC)Cc1ccccc1F ZINC001322119418 988123021 /nfs/dbraw/zinc/12/30/21/988123021.db2.gz CYGWITUYVSUZDF-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO C#CCN(CC1CC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001118226843 988128878 /nfs/dbraw/zinc/12/88/78/988128878.db2.gz GSWDCHSGPKOBMV-GFCCVEGCSA-N 1 2 245.326 1.706 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C2(CC)CCCC2)C1 ZINC001494474352 988151558 /nfs/dbraw/zinc/15/15/58/988151558.db2.gz ZIOOPZLSADTKNH-UHFFFAOYSA-N 1 2 248.370 1.781 20 30 BDEDLO CCN(CCC#N)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001322857058 988391660 /nfs/dbraw/zinc/39/16/60/988391660.db2.gz NLCZECZSNMZZGB-JTQLQIEISA-N 1 2 220.276 1.206 20 30 BDEDLO C#CC[N@@H+](CCS(=O)(=O)C(C)C)CC1CC1 ZINC001322948288 988410924 /nfs/dbraw/zinc/41/09/24/988410924.db2.gz GZANCNNVVORCGI-UHFFFAOYSA-N 1 2 243.372 1.155 20 30 BDEDLO C#CC[N@H+](CCS(=O)(=O)C(C)C)CC1CC1 ZINC001322948288 988410939 /nfs/dbraw/zinc/41/09/39/988410939.db2.gz GZANCNNVVORCGI-UHFFFAOYSA-N 1 2 243.372 1.155 20 30 BDEDLO C[C@@H](C#N)CN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001322966517 988416683 /nfs/dbraw/zinc/41/66/83/988416683.db2.gz LNZNLUNCCFDHRD-WDEREUQCSA-N 1 2 246.314 1.595 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](CC)OC)C1 ZINC001499641152 988552002 /nfs/dbraw/zinc/55/20/02/988552002.db2.gz HHFAHBAHRHWXGC-LBPRGKRZSA-N 1 2 240.347 1.130 20 30 BDEDLO C=CCO[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001324533055 988864451 /nfs/dbraw/zinc/86/44/51/988864451.db2.gz LYWPWUDFSRGTML-NSHDSACASA-N 1 2 219.288 1.254 20 30 BDEDLO C=CCO[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001324533055 988864452 /nfs/dbraw/zinc/86/44/52/988864452.db2.gz LYWPWUDFSRGTML-NSHDSACASA-N 1 2 219.288 1.254 20 30 BDEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC1(C#N)CC1 ZINC001119270725 988874893 /nfs/dbraw/zinc/87/48/93/988874893.db2.gz OCOKMSYYWQVUSK-JTQLQIEISA-N 1 2 223.320 1.122 20 30 BDEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC1(C#N)CC1 ZINC001119270725 988874900 /nfs/dbraw/zinc/87/49/00/988874900.db2.gz OCOKMSYYWQVUSK-JTQLQIEISA-N 1 2 223.320 1.122 20 30 BDEDLO C#CCOCC[N@@H+](C)Cc1ncc(C)s1 ZINC001324823050 988997059 /nfs/dbraw/zinc/99/70/59/988997059.db2.gz OQJDIHXKWRRYDS-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO C#CCOCC[N@H+](C)Cc1ncc(C)s1 ZINC001324823050 988997069 /nfs/dbraw/zinc/99/70/69/988997069.db2.gz OQJDIHXKWRRYDS-UHFFFAOYSA-N 1 2 224.329 1.533 20 30 BDEDLO COC[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001248188363 989083450 /nfs/dbraw/zinc/08/34/50/989083450.db2.gz VKTAJWYSIUYTBA-JTQLQIEISA-N 1 2 244.254 1.254 20 30 BDEDLO CCc1cc(C#N)ccc1C[NH+]1CC(O)C1 ZINC001248748631 989141883 /nfs/dbraw/zinc/14/18/83/989141883.db2.gz QCZOIAVDLAOISA-UHFFFAOYSA-N 1 2 216.284 1.297 20 30 BDEDLO C=CCCC(=O)NCCc1cn(C)c[nH+]1 ZINC001524816093 990017604 /nfs/dbraw/zinc/01/76/04/990017604.db2.gz QVSAPSOFRQWZAS-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO C=CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001537785525 990516187 /nfs/dbraw/zinc/51/61/87/990516187.db2.gz KCSRCVDJHBKBKC-UHFFFAOYSA-N 1 2 229.283 1.901 20 30 BDEDLO C=CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001538785645 990545853 /nfs/dbraw/zinc/54/58/53/990545853.db2.gz JHSVJUYNFRVVNW-UHFFFAOYSA-N 1 2 215.256 1.559 20 30 BDEDLO C=C(Cl)CNC(=O)CCc1[nH+]ccn1C ZINC001123673911 990644487 /nfs/dbraw/zinc/64/44/87/990644487.db2.gz SFWUANNWNRDFIC-UHFFFAOYSA-N 1 2 227.695 1.221 20 30 BDEDLO C=C(CC)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC001123882577 990692110 /nfs/dbraw/zinc/69/21/10/990692110.db2.gz WKPYKZLMPNEGBB-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C=C(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC001123882577 990692114 /nfs/dbraw/zinc/69/21/14/990692114.db2.gz WKPYKZLMPNEGBB-GFCCVEGCSA-N 1 2 240.347 1.180 20 30 BDEDLO C#C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001123983992 990723126 /nfs/dbraw/zinc/72/31/26/990723126.db2.gz QMWGFOICNMYJON-LBPRGKRZSA-N 1 2 245.326 1.367 20 30 BDEDLO N#CC1CC[NH+](Cc2cncnc2)CC1 ZINC001137663481 990833947 /nfs/dbraw/zinc/83/39/47/990833947.db2.gz FGSFAQAMSLISIF-UHFFFAOYSA-N 1 2 202.261 1.212 20 30 BDEDLO N#C[C@H]1CC[N@@H+](Cc2ncccc2O)C1 ZINC001138394515 990936203 /nfs/dbraw/zinc/93/62/03/990936203.db2.gz UUVNJVLAOLMNCS-SECBINFHSA-N 1 2 203.245 1.133 20 30 BDEDLO N#C[C@H]1CC[N@H+](Cc2ncccc2O)C1 ZINC001138394515 990936207 /nfs/dbraw/zinc/93/62/07/990936207.db2.gz UUVNJVLAOLMNCS-SECBINFHSA-N 1 2 203.245 1.133 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001558497673 990956378 /nfs/dbraw/zinc/95/63/78/990956378.db2.gz YTWKWLJJDIXCBF-UHFFFAOYSA-N 1 2 221.304 1.801 20 30 BDEDLO C=CC(C)(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001558497673 990956390 /nfs/dbraw/zinc/95/63/90/990956390.db2.gz YTWKWLJJDIXCBF-UHFFFAOYSA-N 1 2 221.304 1.801 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC001559491337 991120024 /nfs/dbraw/zinc/12/00/24/991120024.db2.gz FUDMNXMNOUWANN-LBPRGKRZSA-N 1 2 242.326 1.960 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC001559491337 991120028 /nfs/dbraw/zinc/12/00/28/991120028.db2.gz FUDMNXMNOUWANN-LBPRGKRZSA-N 1 2 242.326 1.960 20 30 BDEDLO C#CC[NH+]1CCN(Cc2cnn(CCC)c2)CC1 ZINC001139040002 991128703 /nfs/dbraw/zinc/12/87/03/991128703.db2.gz LZYBTTRJGZKBOI-UHFFFAOYSA-N 1 2 246.358 1.044 20 30 BDEDLO C#CC[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC001308963360 991235273 /nfs/dbraw/zinc/23/52/73/991235273.db2.gz JTOSOJQQWWJCHO-UHFFFAOYSA-N 1 2 217.316 1.839 20 30 BDEDLO C#CC[N@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC001308963360 991235283 /nfs/dbraw/zinc/23/52/83/991235283.db2.gz JTOSOJQQWWJCHO-UHFFFAOYSA-N 1 2 217.316 1.839 20 30 BDEDLO C#CC[N@@H+](C)Cc1cn2c(cccc2F)n1 ZINC001139570244 991273343 /nfs/dbraw/zinc/27/33/43/991273343.db2.gz URJUVOMHIIZEAT-UHFFFAOYSA-N 1 2 217.247 1.538 20 30 BDEDLO C#CC[N@H+](C)Cc1cn2c(cccc2F)n1 ZINC001139570244 991273354 /nfs/dbraw/zinc/27/33/54/991273354.db2.gz URJUVOMHIIZEAT-UHFFFAOYSA-N 1 2 217.247 1.538 20 30 BDEDLO C[C@](CO)([NH2+]CC1(C#N)CC1)c1cccc(O)c1 ZINC001559876218 991302028 /nfs/dbraw/zinc/30/20/28/991302028.db2.gz QYVAFHMPQCROAY-CYBMUJFWSA-N 1 2 246.310 1.493 20 30 BDEDLO N#Cc1ccc(F)c(C[NH+]2CC3(C2)CCOC3)c1 ZINC001139646871 991308363 /nfs/dbraw/zinc/30/83/63/991308363.db2.gz QGGUUKVBSAFMLO-UHFFFAOYSA-N 1 2 246.285 1.920 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCCC(=O)[C@H](C)C2)cn1 ZINC001139765726 991358227 /nfs/dbraw/zinc/35/82/27/991358227.db2.gz DVUYXYZDZLPDJK-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCCC(=O)[C@H](C)C2)cn1 ZINC001139765726 991358230 /nfs/dbraw/zinc/35/82/30/991358230.db2.gz DVUYXYZDZLPDJK-GFCCVEGCSA-N 1 2 247.342 1.870 20 30 BDEDLO C=CCn1cc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC001139768603 991361534 /nfs/dbraw/zinc/36/15/34/991361534.db2.gz QLGDNLLVWJTRNA-NSHDSACASA-N 1 2 209.268 1.613 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC001139768603 991361543 /nfs/dbraw/zinc/36/15/43/991361543.db2.gz QLGDNLLVWJTRNA-NSHDSACASA-N 1 2 209.268 1.613 20 30 BDEDLO C=CCn1cc(C[N@@H+]2CCCCC23COC3)cn1 ZINC001139770103 991363453 /nfs/dbraw/zinc/36/34/53/991363453.db2.gz COQZALJDZVWMEB-UHFFFAOYSA-N 1 2 247.342 1.824 20 30 BDEDLO C=CCn1cc(C[N@H+]2CCCCC23COC3)cn1 ZINC001139770103 991363462 /nfs/dbraw/zinc/36/34/62/991363462.db2.gz COQZALJDZVWMEB-UHFFFAOYSA-N 1 2 247.342 1.824 20 30 BDEDLO C=CCn1cc(C[NH+]2CC(C(F)F)C2)cn1 ZINC001139774622 991368283 /nfs/dbraw/zinc/36/82/83/991368283.db2.gz PDFKZVGQEPCVJH-UHFFFAOYSA-N 1 2 227.258 1.766 20 30 BDEDLO C[N@H+](Cc1cc(F)cc(C#N)c1)C1COC1 ZINC001139875541 991406496 /nfs/dbraw/zinc/40/64/96/991406496.db2.gz SYVVLBFBEZRSTL-UHFFFAOYSA-N 1 2 220.247 1.528 20 30 BDEDLO C[N@@H+](Cc1cc(F)cc(C#N)c1)C1COC1 ZINC001139875541 991406498 /nfs/dbraw/zinc/40/64/98/991406498.db2.gz SYVVLBFBEZRSTL-UHFFFAOYSA-N 1 2 220.247 1.528 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCOC ZINC001317438221 991507603 /nfs/dbraw/zinc/50/76/03/991507603.db2.gz DBTUNMIVRDEMIT-UHFFFAOYSA-N 1 2 248.754 1.214 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCOC ZINC001317438221 991507611 /nfs/dbraw/zinc/50/76/11/991507611.db2.gz DBTUNMIVRDEMIT-UHFFFAOYSA-N 1 2 248.754 1.214 20 30 BDEDLO CN(C)C(=O)C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001203008026 991546900 /nfs/dbraw/zinc/54/69/00/991546900.db2.gz RKOWPBLPMZEQQH-UHFFFAOYSA-N 1 2 243.310 1.005 20 30 BDEDLO CN(C)C(=O)C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001203008026 991546908 /nfs/dbraw/zinc/54/69/08/991546908.db2.gz RKOWPBLPMZEQQH-UHFFFAOYSA-N 1 2 243.310 1.005 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)CCCCC)C1 ZINC001318001856 991609433 /nfs/dbraw/zinc/60/94/33/991609433.db2.gz HYPXYOBZCQAVAW-UHFFFAOYSA-N 1 2 222.332 1.390 20 30 BDEDLO C=CCC[C@@H](C)[NH+]1CC(O)(C(F)(F)F)C1 ZINC001258725348 991663103 /nfs/dbraw/zinc/66/31/03/991663103.db2.gz KIOKKTDKPHZNNO-MRVPVSSYSA-N 1 2 223.238 1.950 20 30 BDEDLO N#Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001565871085 991813467 /nfs/dbraw/zinc/81/34/67/991813467.db2.gz VXZCEVYSMVKVNF-UHFFFAOYSA-N 1 2 240.266 1.140 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001261280786 992243606 /nfs/dbraw/zinc/24/36/06/992243606.db2.gz WSOKCVDHWVZCKU-UHFFFAOYSA-N 1 2 244.285 1.362 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001569370354 992374940 /nfs/dbraw/zinc/37/49/40/992374940.db2.gz OKTJBCJAALNJBX-LLVKDONJSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001569370354 992374949 /nfs/dbraw/zinc/37/49/49/992374949.db2.gz OKTJBCJAALNJBX-LLVKDONJSA-N 1 2 220.316 1.000 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CCC)CCC1 ZINC001569370268 992376761 /nfs/dbraw/zinc/37/67/61/992376761.db2.gz NORJGHWXKAMLBG-CYBMUJFWSA-N 1 2 248.370 1.781 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CCC)CCC1 ZINC001569370268 992376774 /nfs/dbraw/zinc/37/67/74/992376774.db2.gz NORJGHWXKAMLBG-CYBMUJFWSA-N 1 2 248.370 1.781 20 30 BDEDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC001570305101 992460557 /nfs/dbraw/zinc/46/05/57/992460557.db2.gz CYKXDYUEYUEMTN-ZDUSSCGKSA-N 1 2 243.310 1.899 20 30 BDEDLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC001570305101 992460567 /nfs/dbraw/zinc/46/05/67/992460567.db2.gz CYKXDYUEYUEMTN-ZDUSSCGKSA-N 1 2 243.310 1.899 20 30 BDEDLO C=CCOC(=O)NCCCn1cc[nH+]c1 ZINC000586476453 993374425 /nfs/dbraw/zinc/37/44/25/993374425.db2.gz OAHIOXVLQDQMRG-UHFFFAOYSA-N 1 2 209.249 1.185 20 30 BDEDLO C[C@@H](CC#N)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263542382 993376156 /nfs/dbraw/zinc/37/61/56/993376156.db2.gz HGPUVBRLCIEBMO-JTQLQIEISA-N 1 2 235.287 1.711 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1cccnc1N(C)C ZINC000381230389 993380536 /nfs/dbraw/zinc/38/05/36/993380536.db2.gz KUJXCCNMPYHPEV-SNVBAGLBSA-N 1 2 218.304 1.397 20 30 BDEDLO C#CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001290034220 994515810 /nfs/dbraw/zinc/51/58/10/994515810.db2.gz APEYSDLOEDPGPG-UHFFFAOYSA-N 1 2 213.240 1.006 20 30 BDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCC ZINC001492182941 995023713 /nfs/dbraw/zinc/02/37/13/995023713.db2.gz BTLTZFVAOAZKNQ-UHFFFAOYSA-N 1 2 218.728 1.587 20 30 BDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCC ZINC001492182941 995023727 /nfs/dbraw/zinc/02/37/27/995023727.db2.gz BTLTZFVAOAZKNQ-UHFFFAOYSA-N 1 2 218.728 1.587 20 30 BDEDLO C=C(C)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC001336799233 995109772 /nfs/dbraw/zinc/10/97/72/995109772.db2.gz VWWXDZNPWDIRSQ-UHFFFAOYSA-N 1 2 206.293 1.555 20 30 BDEDLO C=C(C)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC001336799233 995109781 /nfs/dbraw/zinc/10/97/81/995109781.db2.gz VWWXDZNPWDIRSQ-UHFFFAOYSA-N 1 2 206.293 1.555 20 30 BDEDLO C[C@H](CC(=O)N[C@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC000564336356 398135471 /nfs/dbraw/zinc/13/54/71/398135471.db2.gz YCYXZVWRLLXNQI-MFKMUULPSA-N 1 2 246.314 1.643 20 30 BDEDLO C#CC[NH+](CC#C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000299241099 136209177 /nfs/dbraw/zinc/20/91/77/136209177.db2.gz KBBHUSWZFGJSPK-LLVKDONJSA-N 1 2 245.278 1.696 20 30 BDEDLO CC[C@](C)(CNc1cc(C)[nH+]cc1C#N)OC ZINC000399474587 262784574 /nfs/dbraw/zinc/78/45/74/262784574.db2.gz WTLPAGLILSEEGA-CYBMUJFWSA-N 1 2 233.315 1.911 20 30 BDEDLO C=C[C@H]([NH2+][C@H]1CCC[C@H]1SCC)C(=O)OC ZINC000300939312 349453312 /nfs/dbraw/zinc/45/33/12/349453312.db2.gz DCSKKLHOMCCVRW-GARJFASQSA-N 1 2 243.372 1.978 20 30 BDEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H]1SCC)C(=O)OC ZINC000300939314 349453332 /nfs/dbraw/zinc/45/33/32/349453332.db2.gz DCSKKLHOMCCVRW-HBNTYKKESA-N 1 2 243.372 1.978 20 30 BDEDLO C=CCSCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264854398 398139018 /nfs/dbraw/zinc/13/90/18/398139018.db2.gz NUMLBPWFYSPGNY-UHFFFAOYSA-N 1 2 225.317 1.367 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000602177524 349461241 /nfs/dbraw/zinc/46/12/41/349461241.db2.gz BCLYZQHXZQSSDJ-FBIMIBRVSA-N 1 2 244.298 1.416 20 30 BDEDLO C[C@H](C#N)N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000602177524 349461245 /nfs/dbraw/zinc/46/12/45/349461245.db2.gz BCLYZQHXZQSSDJ-FBIMIBRVSA-N 1 2 244.298 1.416 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCCCS(C)(=O)=O ZINC000119383833 343983696 /nfs/dbraw/zinc/98/36/96/343983696.db2.gz ILTAKKJXNBDXLH-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCCCS(C)(=O)=O ZINC000119383833 343983700 /nfs/dbraw/zinc/98/37/00/343983700.db2.gz ILTAKKJXNBDXLH-JTQLQIEISA-N 1 2 232.349 1.045 20 30 BDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)C ZINC000173552317 168349830 /nfs/dbraw/zinc/34/98/30/168349830.db2.gz FCSYILJHAJHMKD-UHFFFAOYSA-N 1 2 239.363 1.726 20 30 BDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)C ZINC000173552317 168349832 /nfs/dbraw/zinc/34/98/32/168349832.db2.gz FCSYILJHAJHMKD-UHFFFAOYSA-N 1 2 239.363 1.726 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N1CCCC[C@@H]1CC ZINC000076185728 398226301 /nfs/dbraw/zinc/22/63/01/398226301.db2.gz ZUJTVPZWQOMPDK-AWEZNQCLSA-N 1 2 246.354 1.346 20 30 BDEDLO C#CC[NH+](CC#C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000076185333 398226656 /nfs/dbraw/zinc/22/66/56/398226656.db2.gz PPODPPWAFKAHBW-ZIAGYGMSSA-N 1 2 246.354 1.344 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(C(=O)OC)n1C ZINC000602436978 349523444 /nfs/dbraw/zinc/52/34/44/349523444.db2.gz BTCAZNOJUOXLHR-UHFFFAOYSA-N 1 2 249.314 1.547 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(C(=O)OC)n1C ZINC000602436978 349523448 /nfs/dbraw/zinc/52/34/48/349523448.db2.gz BTCAZNOJUOXLHR-UHFFFAOYSA-N 1 2 249.314 1.547 20 30 BDEDLO CCNC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000331321603 136226376 /nfs/dbraw/zinc/22/63/76/136226376.db2.gz KXTKRCQYZMWOQR-QMMMGPOBSA-N 1 2 210.281 1.630 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281567568 538939060 /nfs/dbraw/zinc/93/90/60/538939060.db2.gz AMYMVEYQYRVVOI-SNVBAGLBSA-N 1 2 221.304 1.813 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281567568 538939061 /nfs/dbraw/zinc/93/90/61/538939061.db2.gz AMYMVEYQYRVVOI-SNVBAGLBSA-N 1 2 221.304 1.813 20 30 BDEDLO CC[C@]1(C)C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576706920 365665658 /nfs/dbraw/zinc/66/56/58/365665658.db2.gz FAKUYBAVNDWDQM-UHTWSYAYSA-N 1 2 237.347 1.383 20 30 BDEDLO C=CCOCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290933742 398254354 /nfs/dbraw/zinc/25/43/54/398254354.db2.gz MZBLUPQZOVSLBV-UHFFFAOYSA-N 1 2 249.314 1.208 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291184249 538947300 /nfs/dbraw/zinc/94/73/00/538947300.db2.gz KBBDZIVVZGQCST-SNVBAGLBSA-N 1 2 237.303 1.018 20 30 BDEDLO C[C@@H](C#N)CN(C)CC(C)(C)[NH+]1CCOCC1 ZINC000602448425 349549798 /nfs/dbraw/zinc/54/97/98/349549798.db2.gz TUUWJQGPNNHGQZ-LBPRGKRZSA-N 1 2 239.363 1.189 20 30 BDEDLO COC(=O)c1ccc(C[N@H+](C)C[C@H](C)C#N)n1C ZINC000602449350 349550802 /nfs/dbraw/zinc/55/08/02/349550802.db2.gz ZGDFHRSHGGFQCP-SNVBAGLBSA-N 1 2 249.314 1.403 20 30 BDEDLO COC(=O)c1ccc(C[N@@H+](C)C[C@H](C)C#N)n1C ZINC000602449350 349550805 /nfs/dbraw/zinc/55/08/05/349550805.db2.gz ZGDFHRSHGGFQCP-SNVBAGLBSA-N 1 2 249.314 1.403 20 30 BDEDLO CCOC(=O)c1ccc(C[N@H+](C)[C@H](C)CC#N)[nH]1 ZINC000602461952 349556610 /nfs/dbraw/zinc/55/66/10/349556610.db2.gz JFWDWNAJZVJFIY-SNVBAGLBSA-N 1 2 249.314 1.925 20 30 BDEDLO CCOC(=O)c1ccc(C[N@@H+](C)[C@H](C)CC#N)[nH]1 ZINC000602461952 349556612 /nfs/dbraw/zinc/55/66/12/349556612.db2.gz JFWDWNAJZVJFIY-SNVBAGLBSA-N 1 2 249.314 1.925 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCc1cnccn1 ZINC000402609835 342743776 /nfs/dbraw/zinc/74/37/76/342743776.db2.gz OQEVRFDKGUVUKX-SNVBAGLBSA-N 1 2 204.277 1.111 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCc1cnccn1 ZINC000402609835 342743778 /nfs/dbraw/zinc/74/37/78/342743778.db2.gz OQEVRFDKGUVUKX-SNVBAGLBSA-N 1 2 204.277 1.111 20 30 BDEDLO CCC(CC)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324315 168382558 /nfs/dbraw/zinc/38/25/58/168382558.db2.gz CUPJXXGPPIKVMV-QWRGUYRKSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324315 168382559 /nfs/dbraw/zinc/38/25/59/168382559.db2.gz CUPJXXGPPIKVMV-QWRGUYRKSA-N 1 2 239.363 1.771 20 30 BDEDLO N#CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281603508 342796381 /nfs/dbraw/zinc/79/63/81/342796381.db2.gz GLFQWUGGPRBNLY-CHWSQXEVSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281603508 342796382 /nfs/dbraw/zinc/79/63/82/342796382.db2.gz GLFQWUGGPRBNLY-CHWSQXEVSA-N 1 2 234.274 1.847 20 30 BDEDLO C=C(C)C[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000348776161 136238623 /nfs/dbraw/zinc/23/86/23/136238623.db2.gz PBPSOGIDMMWYEK-GFCCVEGCSA-N 1 2 241.331 1.510 20 30 BDEDLO N#Cc1cccc(C[NH2+]CC2(C#N)CC2)n1 ZINC000602644149 349656181 /nfs/dbraw/zinc/65/61/81/349656181.db2.gz VRBZYEUERGUGMY-UHFFFAOYSA-N 1 2 212.256 1.347 20 30 BDEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@@](F)(C#N)C1 ZINC000602627437 349664219 /nfs/dbraw/zinc/66/42/19/349664219.db2.gz CAHZIFMYAXWEBA-WCQYABFASA-N 1 2 248.305 1.809 20 30 BDEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@@](F)(C#N)C1 ZINC000602627435 349664415 /nfs/dbraw/zinc/66/44/15/349664415.db2.gz CAHZIFMYAXWEBA-DGCLKSJQSA-N 1 2 248.305 1.809 20 30 BDEDLO C=CCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OCC ZINC000602679140 349671598 /nfs/dbraw/zinc/67/15/98/349671598.db2.gz CDMMPZCOXRFJRM-UTUOFQBUSA-N 1 2 243.347 1.897 20 30 BDEDLO CO[C@@](C)(C[NH+]1CC(C)(C#N)C1)C1CC1 ZINC000602690989 349688449 /nfs/dbraw/zinc/68/84/49/349688449.db2.gz UCNAWEIRMLCLMS-LBPRGKRZSA-N 1 2 208.305 1.647 20 30 BDEDLO Cc1cc(C[NH+]2CC(CC#N)C2)sn1 ZINC000602710696 349703237 /nfs/dbraw/zinc/70/32/37/349703237.db2.gz XIGVYQCZOXTDDR-UHFFFAOYSA-N 1 2 207.302 1.797 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000562640763 323026052 /nfs/dbraw/zinc/02/60/52/323026052.db2.gz RTDZCJLNTVCZGV-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000562640763 323026053 /nfs/dbraw/zinc/02/60/53/323026053.db2.gz RTDZCJLNTVCZGV-NSHDSACASA-N 1 2 240.347 1.036 20 30 BDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C#N)C1CC1 ZINC000492537399 529560391 /nfs/dbraw/zinc/56/03/91/529560391.db2.gz QOWUCHWNXLVFSW-ISALQUGTSA-N 1 2 244.298 1.335 20 30 BDEDLO Cc1nc(C[N@@H+](C)C[C@@H](C)CCC#N)no1 ZINC000602714964 349706291 /nfs/dbraw/zinc/70/62/91/349706291.db2.gz KUQBRAQQCURSHI-VIFPVBQESA-N 1 2 222.292 1.750 20 30 BDEDLO Cc1nc(C[N@H+](C)C[C@@H](C)CCC#N)no1 ZINC000602714964 349706292 /nfs/dbraw/zinc/70/62/92/349706292.db2.gz KUQBRAQQCURSHI-VIFPVBQESA-N 1 2 222.292 1.750 20 30 BDEDLO N#CCCN1CC[NH+](CC2(F)CC2)CC1 ZINC000602748878 349711530 /nfs/dbraw/zinc/71/15/30/349711530.db2.gz UUCMSTYQPPVYSR-UHFFFAOYSA-N 1 2 211.284 1.020 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC000602780453 349746444 /nfs/dbraw/zinc/74/64/44/349746444.db2.gz UVQWINYSSMFNKS-LBPRGKRZSA-N 1 2 240.347 1.664 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC000602780453 349746445 /nfs/dbraw/zinc/74/64/45/349746445.db2.gz UVQWINYSSMFNKS-LBPRGKRZSA-N 1 2 240.347 1.664 20 30 BDEDLO C[C@H]1C[NH+](CC2(CC#N)CC2)C[C@H](C)S1=O ZINC000602827710 349765063 /nfs/dbraw/zinc/76/50/63/349765063.db2.gz MZRWMRIUPMLABY-QWRGUYRKSA-N 1 2 240.372 1.522 20 30 BDEDLO CC1(C)C[S@](=O)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602812694 349756027 /nfs/dbraw/zinc/75/60/27/349756027.db2.gz CAFDHJALCSKMTH-MRXNPFEDSA-N 1 2 240.372 1.523 20 30 BDEDLO CC1(C)C[S@](=O)CC[N@H+]1CC1(CC#N)CC1 ZINC000602812694 349756030 /nfs/dbraw/zinc/75/60/30/349756030.db2.gz CAFDHJALCSKMTH-MRXNPFEDSA-N 1 2 240.372 1.523 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000602861204 349772734 /nfs/dbraw/zinc/77/27/34/349772734.db2.gz FQTJSOVJJPOTMK-MNOVXSKESA-N 1 2 223.320 1.137 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000602863264 349781009 /nfs/dbraw/zinc/78/10/09/349781009.db2.gz OJFQJLGAYHXERN-LLVKDONJSA-N 1 2 249.358 1.812 20 30 BDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCCCCC1 ZINC000602863282 349781350 /nfs/dbraw/zinc/78/13/50/349781350.db2.gz MJURCUMJQYGZSJ-NSHDSACASA-N 1 2 223.320 1.281 20 30 BDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000602847806 349784047 /nfs/dbraw/zinc/78/40/47/349784047.db2.gz KPQBRZIJSRTFGO-OUAUKWLOSA-N 1 2 235.331 1.230 20 30 BDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CC1(C#N)CC1 ZINC000602847806 349784050 /nfs/dbraw/zinc/78/40/50/349784050.db2.gz KPQBRZIJSRTFGO-OUAUKWLOSA-N 1 2 235.331 1.230 20 30 BDEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602860619 349771628 /nfs/dbraw/zinc/77/16/28/349771628.db2.gz DRMWTZJPXIDQNK-NWDGAFQWSA-N 1 2 239.363 1.771 20 30 BDEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602860621 349771698 /nfs/dbraw/zinc/77/16/98/349771698.db2.gz DRMWTZJPXIDQNK-VXGBXAGGSA-N 1 2 239.363 1.771 20 30 BDEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602860620 349771947 /nfs/dbraw/zinc/77/19/47/349771947.db2.gz DRMWTZJPXIDQNK-RYUDHWBXSA-N 1 2 239.363 1.771 20 30 BDEDLO C=C(C)C[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000602880596 349790842 /nfs/dbraw/zinc/79/08/42/349790842.db2.gz IAXDFOHMUYIYBJ-CYBMUJFWSA-N 1 2 233.311 1.936 20 30 BDEDLO Cc1ccc(C#N)c(NCC[NH+]2CCOCC2)n1 ZINC000043395414 343062634 /nfs/dbraw/zinc/06/26/34/343062634.db2.gz KIEPJJNCYMXNMI-UHFFFAOYSA-N 1 2 246.314 1.006 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602865386 349797026 /nfs/dbraw/zinc/79/70/26/349797026.db2.gz XTOCFRGOYNDSPY-NEPJUHHUSA-N 1 2 237.347 1.691 20 30 BDEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)on1 ZINC000602864599 349797158 /nfs/dbraw/zinc/79/71/58/349797158.db2.gz SYKVGPDDAOTMJI-CBAPKCEASA-N 1 2 236.275 1.202 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602865121 349797202 /nfs/dbraw/zinc/79/72/02/349797202.db2.gz WKCYJGDPBCPRLZ-NEPJUHHUSA-N 1 2 235.331 1.467 20 30 BDEDLO C=CCCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000640938807 362075903 /nfs/dbraw/zinc/07/59/03/362075903.db2.gz DXWXEILGQPKVMA-UHFFFAOYSA-N 1 2 238.335 1.059 20 30 BDEDLO C=CCCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000640938807 362075905 /nfs/dbraw/zinc/07/59/05/362075905.db2.gz DXWXEILGQPKVMA-UHFFFAOYSA-N 1 2 238.335 1.059 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCCC(C)C)nn1 ZINC000640940344 362087208 /nfs/dbraw/zinc/08/72/08/362087208.db2.gz RRIWNQXUUWGTBH-UHFFFAOYSA-N 1 2 234.347 1.827 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H]2C=CCCC2)nn1 ZINC000640944238 362089472 /nfs/dbraw/zinc/08/94/72/362089472.db2.gz ATZYLDXGOBUGAU-ZDUSSCGKSA-N 1 2 230.315 1.672 20 30 BDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000339084401 136271152 /nfs/dbraw/zinc/27/11/52/136271152.db2.gz IAIYRVDGJOZQKG-MNOVXSKESA-N 1 2 229.320 1.366 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602865818 349797955 /nfs/dbraw/zinc/79/79/55/349797955.db2.gz ZJDRBLSLPXTCJX-AXFHLTTASA-N 1 2 225.336 1.571 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000602865460 349798035 /nfs/dbraw/zinc/79/80/35/349798035.db2.gz VMQRUPFCXLJLDX-UTUOFQBUSA-N 1 2 237.347 1.668 20 30 BDEDLO CC#CC[NH2+]Cc1cn(CCC2CCCC2)nn1 ZINC000641000710 362116628 /nfs/dbraw/zinc/11/66/28/362116628.db2.gz ZDRKOCCPDKJUIV-UHFFFAOYSA-N 1 2 246.358 1.971 20 30 BDEDLO C=CCC[C@H](CCC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000249077838 136273917 /nfs/dbraw/zinc/27/39/17/136273917.db2.gz MBDFTWMXDXLYFU-SDDRHHMPSA-N 1 2 243.347 1.633 20 30 BDEDLO COC(=O)c1coc(C[NH2+]C[C@H](C)C#N)c1 ZINC000126924057 343171530 /nfs/dbraw/zinc/17/15/30/343171530.db2.gz VAGFQCLUKYBVBW-MRVPVSSYSA-N 1 2 222.244 1.315 20 30 BDEDLO N#CCSCCC[N@@H+](CCO)CC(F)F ZINC000194865860 136276234 /nfs/dbraw/zinc/27/62/34/136276234.db2.gz OMAKOBXTBQNLCU-UHFFFAOYSA-N 1 2 238.303 1.193 20 30 BDEDLO N#CCSCCC[N@H+](CCO)CC(F)F ZINC000194865860 136276235 /nfs/dbraw/zinc/27/62/35/136276235.db2.gz OMAKOBXTBQNLCU-UHFFFAOYSA-N 1 2 238.303 1.193 20 30 BDEDLO CC[N@H+](CCC#N)Cc1ccc(C(N)=O)cc1 ZINC000266965619 136281697 /nfs/dbraw/zinc/28/16/97/136281697.db2.gz XZRDDNKXXKYUMX-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO CC[N@@H+](CCC#N)Cc1ccc(C(N)=O)cc1 ZINC000266965619 136281698 /nfs/dbraw/zinc/28/16/98/136281698.db2.gz XZRDDNKXXKYUMX-UHFFFAOYSA-N 1 2 231.299 1.521 20 30 BDEDLO Oc1cccc(/C=[NH+]/C[C@H]2CCCOC2)c1O ZINC000298768970 136291657 /nfs/dbraw/zinc/29/16/57/136291657.db2.gz GZPGRHVMUMFRPF-WWNSAXIVSA-N 1 2 235.283 1.943 20 30 BDEDLO N#CCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277718806 136285773 /nfs/dbraw/zinc/28/57/73/136285773.db2.gz HRJLVJSNKSSMHA-UHFFFAOYSA-N 1 2 231.303 1.792 20 30 BDEDLO N#CCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277718806 136285774 /nfs/dbraw/zinc/28/57/74/136285774.db2.gz HRJLVJSNKSSMHA-UHFFFAOYSA-N 1 2 231.303 1.792 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283507775 136286991 /nfs/dbraw/zinc/28/69/91/136286991.db2.gz PMMYADUCEBGEGZ-CDAZIORVSA-N 1 2 218.260 1.041 20 30 BDEDLO C[C@@H](CC#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609169639 343325174 /nfs/dbraw/zinc/32/51/74/343325174.db2.gz FKQCTNWZCABSFR-JTQLQIEISA-N 1 2 220.276 1.082 20 30 BDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584056365 343308216 /nfs/dbraw/zinc/30/82/16/343308216.db2.gz NMVSKOSXDBHNEL-WCQYABFASA-N 1 2 248.330 1.889 20 30 BDEDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(C#N)cs1 ZINC000335675414 136318174 /nfs/dbraw/zinc/31/81/74/136318174.db2.gz MNKCHRTTYLABQS-HTQZYQBOSA-N 1 2 207.302 1.997 20 30 BDEDLO N#CC1(CSCC[NH+]2CCOCC2)CC1 ZINC000349140878 136323765 /nfs/dbraw/zinc/32/37/65/136323765.db2.gz AXJIMICFZBKBQS-UHFFFAOYSA-N 1 2 226.345 1.356 20 30 BDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329016346 136364691 /nfs/dbraw/zinc/36/46/91/136364691.db2.gz KEOWIXBDMIVPOH-UMNHJUIQSA-N 1 2 249.314 1.579 20 30 BDEDLO C=C(C)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000351097961 136367399 /nfs/dbraw/zinc/36/73/99/136367399.db2.gz JQUQVQFBHUXFFC-UHFFFAOYSA-N 1 2 224.264 1.336 20 30 BDEDLO C=C(C)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000351097961 136367400 /nfs/dbraw/zinc/36/74/00/136367400.db2.gz JQUQVQFBHUXFFC-UHFFFAOYSA-N 1 2 224.264 1.336 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cn1)CC(C)(C)C#N ZINC000577002771 365752869 /nfs/dbraw/zinc/75/28/69/365752869.db2.gz JGEHYHJBTRXSMQ-UHFFFAOYSA-N 1 2 228.299 1.935 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cn1)CC(C)(C)C#N ZINC000577002771 365752872 /nfs/dbraw/zinc/75/28/72/365752872.db2.gz JGEHYHJBTRXSMQ-UHFFFAOYSA-N 1 2 228.299 1.935 20 30 BDEDLO C#CCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047816300 343592878 /nfs/dbraw/zinc/59/28/78/343592878.db2.gz FLEXAYRASSNDQZ-LBPRGKRZSA-N 1 2 243.310 1.047 20 30 BDEDLO Cc1[nH]ncc1C[N@H+](C)CCCSCC#N ZINC000602945259 349818508 /nfs/dbraw/zinc/81/85/08/349818508.db2.gz ZCFJNDGYEYXFKW-UHFFFAOYSA-N 1 2 238.360 1.797 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+](C)CCCSCC#N ZINC000602945259 349818511 /nfs/dbraw/zinc/81/85/11/349818511.db2.gz ZCFJNDGYEYXFKW-UHFFFAOYSA-N 1 2 238.360 1.797 20 30 BDEDLO CCN(C#N)CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982257 349833572 /nfs/dbraw/zinc/83/35/72/349833572.db2.gz PVAPABXBVMMPLS-RYUDHWBXSA-N 1 2 220.320 1.413 20 30 BDEDLO CCN(C#N)CC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982257 349833574 /nfs/dbraw/zinc/83/35/74/349833574.db2.gz PVAPABXBVMMPLS-RYUDHWBXSA-N 1 2 220.320 1.413 20 30 BDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000311198053 343663987 /nfs/dbraw/zinc/66/39/87/343663987.db2.gz GMPUERBHAYPNSO-LLVKDONJSA-N 1 2 245.330 1.646 20 30 BDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000311198053 343663989 /nfs/dbraw/zinc/66/39/89/343663989.db2.gz GMPUERBHAYPNSO-LLVKDONJSA-N 1 2 245.330 1.646 20 30 BDEDLO C=CCC(C)(C)C[NH2+][C@H](C=C)C(=O)OC ZINC000380023972 343670842 /nfs/dbraw/zinc/67/08/42/343670842.db2.gz NGDZKUZLSJVQIH-SNVBAGLBSA-N 1 2 211.305 1.906 20 30 BDEDLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602977023 349842335 /nfs/dbraw/zinc/84/23/35/349842335.db2.gz WRMFSWASIWHJRQ-WDEREUQCSA-N 1 2 237.347 1.525 20 30 BDEDLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602977023 349842338 /nfs/dbraw/zinc/84/23/38/349842338.db2.gz WRMFSWASIWHJRQ-WDEREUQCSA-N 1 2 237.347 1.525 20 30 BDEDLO CN(Cc1c[nH+]cn1C)[C@@H]1CCC[C@@H]1C#N ZINC000602978501 349842907 /nfs/dbraw/zinc/84/29/07/349842907.db2.gz RVPKQOLMWMDYSZ-ZYHUDNBSSA-N 1 2 218.304 1.544 20 30 BDEDLO C[N@H+](CCCS(C)(=O)=O)[C@H]1CCC[C@@H]1C#N ZINC000602975669 349840448 /nfs/dbraw/zinc/84/04/48/349840448.db2.gz FOFNXVHQPKZBTG-MNOVXSKESA-N 1 2 244.360 1.045 20 30 BDEDLO C[N@@H+](CCCS(C)(=O)=O)[C@H]1CCC[C@@H]1C#N ZINC000602975669 349840453 /nfs/dbraw/zinc/84/04/53/349840453.db2.gz FOFNXVHQPKZBTG-MNOVXSKESA-N 1 2 244.360 1.045 20 30 BDEDLO COc1cccc(C[NH2+][C@@H](C)CC#N)n1 ZINC000380250491 343711605 /nfs/dbraw/zinc/71/16/05/343711605.db2.gz PCROWQZOABKJQG-VIFPVBQESA-N 1 2 205.261 1.482 20 30 BDEDLO C[N@H+](Cc1cn[nH]c1)[C@@H]1CCC[C@H]1C#N ZINC000602980004 349845140 /nfs/dbraw/zinc/84/51/40/349845140.db2.gz KKQYODWKSXEJCT-WDEREUQCSA-N 1 2 204.277 1.534 20 30 BDEDLO C[N@@H+](Cc1cn[nH]c1)[C@@H]1CCC[C@H]1C#N ZINC000602980004 349845143 /nfs/dbraw/zinc/84/51/43/349845143.db2.gz KKQYODWKSXEJCT-WDEREUQCSA-N 1 2 204.277 1.534 20 30 BDEDLO C=CC[N@@H+](Cc1nc(C2CC2)nn1C)C1CC1 ZINC000584170401 343768167 /nfs/dbraw/zinc/76/81/67/343768167.db2.gz NVWOIRSMWWQZKE-UHFFFAOYSA-N 1 2 232.331 1.843 20 30 BDEDLO C=CC[N@H+](Cc1nc(C2CC2)nn1C)C1CC1 ZINC000584170401 343768169 /nfs/dbraw/zinc/76/81/69/343768169.db2.gz NVWOIRSMWWQZKE-UHFFFAOYSA-N 1 2 232.331 1.843 20 30 BDEDLO CC#CC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128221837 343764261 /nfs/dbraw/zinc/76/42/61/343764261.db2.gz YHTWCLHLFSYDDI-SNVBAGLBSA-N 1 2 234.265 1.578 20 30 BDEDLO CC#CC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128221837 343764263 /nfs/dbraw/zinc/76/42/63/343764263.db2.gz YHTWCLHLFSYDDI-SNVBAGLBSA-N 1 2 234.265 1.578 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000165575079 343921288 /nfs/dbraw/zinc/92/12/88/343921288.db2.gz IHZAVDCUILBOFQ-NSHDSACASA-N 1 2 232.331 1.882 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000165575079 343921290 /nfs/dbraw/zinc/92/12/90/343921290.db2.gz IHZAVDCUILBOFQ-NSHDSACASA-N 1 2 232.331 1.882 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000625698400 344042729 /nfs/dbraw/zinc/04/27/29/344042729.db2.gz BBZCMNLFDWRCSU-CMPLNLGQSA-N 1 2 247.342 1.835 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000625702116 344053510 /nfs/dbraw/zinc/05/35/10/344053510.db2.gz NFQVLNOSVYYVGR-LLVKDONJSA-N 1 2 249.362 1.826 20 30 BDEDLO C=CC[C@@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000625702116 344053512 /nfs/dbraw/zinc/05/35/12/344053512.db2.gz NFQVLNOSVYYVGR-LLVKDONJSA-N 1 2 249.362 1.826 20 30 BDEDLO COc1cc[nH+]cc1Cn1cc(CCC#N)nn1 ZINC000603252115 349900135 /nfs/dbraw/zinc/90/01/35/349900135.db2.gz OKMIFJBKKXFETR-UHFFFAOYSA-N 1 2 243.270 1.186 20 30 BDEDLO C=C(Cl)C[N@@H+](CCC)CC(=O)N(C)C ZINC000056510676 344330248 /nfs/dbraw/zinc/33/02/48/344330248.db2.gz OCYYYYVHFYNCGG-UHFFFAOYSA-N 1 2 218.728 1.539 20 30 BDEDLO C=C(Cl)C[N@H+](CCC)CC(=O)N(C)C ZINC000056510676 344330249 /nfs/dbraw/zinc/33/02/49/344330249.db2.gz OCYYYYVHFYNCGG-UHFFFAOYSA-N 1 2 218.728 1.539 20 30 BDEDLO CC1=C(C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCC1 ZINC000577067089 365801279 /nfs/dbraw/zinc/80/12/79/365801279.db2.gz WJYYWMUZNIHGGP-ZDUSSCGKSA-N 1 2 235.331 1.447 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000069052309 344543210 /nfs/dbraw/zinc/54/32/10/344543210.db2.gz VZPFHQRPAGZSLT-JTQLQIEISA-N 1 2 214.272 1.687 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000069052309 344543212 /nfs/dbraw/zinc/54/32/12/344543212.db2.gz VZPFHQRPAGZSLT-JTQLQIEISA-N 1 2 214.272 1.687 20 30 BDEDLO CCC[C@@H](C#N)NC(=O)CCn1cc[nH+]c1 ZINC000309407963 347058443 /nfs/dbraw/zinc/05/84/43/347058443.db2.gz VEPJKYFIJHSVHN-JTQLQIEISA-N 1 2 220.276 1.082 20 30 BDEDLO C=CCOC[C@H]([NH2+]CC1(C)CC1)C(=O)OC ZINC000309483222 347074415 /nfs/dbraw/zinc/07/44/15/347074415.db2.gz UKKHDDNPPAVADZ-JTQLQIEISA-N 1 2 227.304 1.120 20 30 BDEDLO Cc1cccc2[nH+]c(CN(C)CC#N)cn21 ZINC000075828595 344792345 /nfs/dbraw/zinc/79/23/45/344792345.db2.gz JMYDSOFSNLMLPX-UHFFFAOYSA-N 1 2 214.272 1.598 20 30 BDEDLO N#CC1(C(=O)NCCNc2cccc[nH+]2)CCC1 ZINC000076990124 344811616 /nfs/dbraw/zinc/81/16/16/344811616.db2.gz BGGAISJFKGHBBS-UHFFFAOYSA-N 1 2 244.298 1.304 20 30 BDEDLO COCc1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000380312613 344844928 /nfs/dbraw/zinc/84/49/28/344844928.db2.gz HRHQNDYLTQWSQU-VIFPVBQESA-N 1 2 208.261 1.675 20 30 BDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000078320858 344845015 /nfs/dbraw/zinc/84/50/15/344845015.db2.gz MOKIWPKUBVWVPE-CYBMUJFWSA-N 1 2 248.326 1.580 20 30 BDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000078320858 344845018 /nfs/dbraw/zinc/84/50/18/344845018.db2.gz MOKIWPKUBVWVPE-CYBMUJFWSA-N 1 2 248.326 1.580 20 30 BDEDLO Cc1cc(NC(=O)N[C@H](C)CC#N)cc[nH+]1 ZINC000120462477 344891632 /nfs/dbraw/zinc/89/16/32/344891632.db2.gz PIWAJZRUGKTKSL-MRVPVSSYSA-N 1 2 218.260 1.814 20 30 BDEDLO COC(=O)C1(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425238229 192084847 /nfs/dbraw/zinc/08/48/47/192084847.db2.gz IOQULBLHOVZLPM-UHFFFAOYSA-N 1 2 245.282 1.049 20 30 BDEDLO Cc1cc(N(C)C[C@H]2CCC[C@H]2O)c(C#N)c[nH+]1 ZINC000425241985 192084944 /nfs/dbraw/zinc/08/49/44/192084944.db2.gz BIUPDSPORJCDAR-BXUZGUMPSA-N 1 2 245.326 1.859 20 30 BDEDLO Cc1cc(NC[C@H]2CCOC[C@@H]2C)c(C#N)c[nH+]1 ZINC000425252800 192085068 /nfs/dbraw/zinc/08/50/68/192085068.db2.gz JJPUBTGMYSCWBN-CMPLNLGQSA-N 1 2 245.326 1.768 20 30 BDEDLO Cc1cc(N(C)C[C@@H]2CCC[C@H]2O)c(C#N)c[nH+]1 ZINC000425241988 192085477 /nfs/dbraw/zinc/08/54/77/192085477.db2.gz BIUPDSPORJCDAR-SMDDNHRTSA-N 1 2 245.326 1.859 20 30 BDEDLO Cc1cc(N(C)CC2(CO)CC2)c(C#N)c[nH+]1 ZINC000425258274 192086268 /nfs/dbraw/zinc/08/62/68/192086268.db2.gz SFTPRRCFEWAEPP-UHFFFAOYSA-N 1 2 231.299 1.470 20 30 BDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC1 ZINC000328661461 537892411 /nfs/dbraw/zinc/89/24/11/537892411.db2.gz WRQRTJKTKKKBDJ-UHFFFAOYSA-N 1 2 248.330 1.382 20 30 BDEDLO Cc1ccc(C[NH+]2CCOCC2)cc1C#N ZINC000260801904 345453870 /nfs/dbraw/zinc/45/38/70/345453870.db2.gz LVUOXQPWXKUQSK-UHFFFAOYSA-N 1 2 216.284 1.699 20 30 BDEDLO C[N@@H+](CCC#N)CCOC[C@@H]1CCCO1 ZINC000083218623 345505001 /nfs/dbraw/zinc/50/50/01/345505001.db2.gz ZDQRKURUQYJDAH-NSHDSACASA-N 1 2 212.293 1.027 20 30 BDEDLO C[N@H+](CCC#N)CCOC[C@@H]1CCCO1 ZINC000083218623 345505002 /nfs/dbraw/zinc/50/50/02/345505002.db2.gz ZDQRKURUQYJDAH-NSHDSACASA-N 1 2 212.293 1.027 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)NCCCn1cc[nH+]c1 ZINC000136185101 345485882 /nfs/dbraw/zinc/48/58/82/345485882.db2.gz FCJZXVYEBKNUGS-LBPRGKRZSA-N 1 2 234.303 1.329 20 30 BDEDLO Cc1cc(N2CCC(CCO)CC2)c(C#N)c[nH+]1 ZINC000400844069 345826889 /nfs/dbraw/zinc/82/68/89/345826889.db2.gz MKPQKXWNYKOEGH-UHFFFAOYSA-N 1 2 245.326 1.861 20 30 BDEDLO C=CC[C@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635575825 345836960 /nfs/dbraw/zinc/83/69/60/345836960.db2.gz JLMILUCFLFYOBS-VIFPVBQESA-N 1 2 221.304 1.595 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587051390 346179058 /nfs/dbraw/zinc/17/90/58/346179058.db2.gz MXOQCVHYNNOXTN-GWCFXTLKSA-N 1 2 246.314 1.254 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000052710321 346368747 /nfs/dbraw/zinc/36/87/47/346368747.db2.gz NCEJVFBDPUAZNR-UHFFFAOYSA-N 1 2 243.310 1.469 20 30 BDEDLO C=CC[C@H]1CCN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000636251419 346368830 /nfs/dbraw/zinc/36/88/30/346368830.db2.gz HASYNDSPUNNLNP-NSHDSACASA-N 1 2 247.342 1.939 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000291522672 346391664 /nfs/dbraw/zinc/39/16/64/346391664.db2.gz JJQNOBJRBCDAIC-SECBINFHSA-N 1 2 227.691 1.682 20 30 BDEDLO CC(C)[NH+]1CC(NC(=O)C2(C#N)CCCC2)C1 ZINC000334181043 346438704 /nfs/dbraw/zinc/43/87/04/346438704.db2.gz DUKGQVBOECDXDG-UHFFFAOYSA-N 1 2 235.331 1.279 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCSC ZINC000301052857 346572410 /nfs/dbraw/zinc/57/24/10/346572410.db2.gz WZPBYPMIVSKSHF-SECBINFHSA-N 1 2 217.334 1.399 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCSC ZINC000301052857 346572416 /nfs/dbraw/zinc/57/24/16/346572416.db2.gz WZPBYPMIVSKSHF-SECBINFHSA-N 1 2 217.334 1.399 20 30 BDEDLO CSC1(C[N@@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000589175129 346673201 /nfs/dbraw/zinc/67/32/01/346673201.db2.gz SNFXPLZPWGDBMX-VIFPVBQESA-N 1 2 214.309 1.820 20 30 BDEDLO CSC1(C[N@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000589175129 346673204 /nfs/dbraw/zinc/67/32/04/346673204.db2.gz SNFXPLZPWGDBMX-VIFPVBQESA-N 1 2 214.309 1.820 20 30 BDEDLO Cc1ccc(NC(=O)N2CC(C#N)C2)c(C)[nH+]1 ZINC000590122742 346776272 /nfs/dbraw/zinc/77/62/72/346776272.db2.gz JIVCVVQZMMTNBY-UHFFFAOYSA-N 1 2 230.271 1.686 20 30 BDEDLO CC1(C)C[C@@]1(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000589812187 346740453 /nfs/dbraw/zinc/74/04/53/346740453.db2.gz RLGCAGUVBAFHTG-ZDUSSCGKSA-N 1 2 246.314 1.472 20 30 BDEDLO COCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000183247724 347123231 /nfs/dbraw/zinc/12/32/31/347123231.db2.gz QEMRHUIBEJRGJH-UHFFFAOYSA-N 1 2 240.278 1.808 20 30 BDEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1[nH]cc[nH+]1 ZINC000577201647 365875845 /nfs/dbraw/zinc/87/58/45/365875845.db2.gz YSGJPCBWZNWCFU-SSDOTTSWSA-N 1 2 229.243 1.100 20 30 BDEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCC#N ZINC000363923852 347185079 /nfs/dbraw/zinc/18/50/79/347185079.db2.gz SRQHSMNKYYPVDK-LBPRGKRZSA-N 1 2 218.304 1.779 20 30 BDEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC#N ZINC000363923852 347185080 /nfs/dbraw/zinc/18/50/80/347185080.db2.gz SRQHSMNKYYPVDK-LBPRGKRZSA-N 1 2 218.304 1.779 20 30 BDEDLO C=C(C)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187099252 347249268 /nfs/dbraw/zinc/24/92/68/347249268.db2.gz OJSKTXFMWFDFBK-UHFFFAOYSA-N 1 2 210.321 1.363 20 30 BDEDLO C=C(C)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187099252 347249272 /nfs/dbraw/zinc/24/92/72/347249272.db2.gz OJSKTXFMWFDFBK-UHFFFAOYSA-N 1 2 210.321 1.363 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924772 347455607 /nfs/dbraw/zinc/45/56/07/347455607.db2.gz VSFIZXUKWOVSMT-SNVBAGLBSA-N 1 2 237.303 1.349 20 30 BDEDLO C=CCCO[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924772 347455609 /nfs/dbraw/zinc/45/56/09/347455609.db2.gz VSFIZXUKWOVSMT-SNVBAGLBSA-N 1 2 237.303 1.349 20 30 BDEDLO CC[N@@H+](CC#N)CCCc1cnn(C)c1 ZINC000121037127 347444436 /nfs/dbraw/zinc/44/44/36/347444436.db2.gz MITWDVYGZWEHQY-UHFFFAOYSA-N 1 2 206.293 1.198 20 30 BDEDLO CC[N@H+](CC#N)CCCc1cnn(C)c1 ZINC000121037127 347444437 /nfs/dbraw/zinc/44/44/37/347444437.db2.gz MITWDVYGZWEHQY-UHFFFAOYSA-N 1 2 206.293 1.198 20 30 BDEDLO 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C[C@H]1C[N@@H+](Cc2ccncc2C#N)CCCO1 ZINC000592067035 347726914 /nfs/dbraw/zinc/72/69/14/347726914.db2.gz NKNRAFPTQATWOW-NSHDSACASA-N 1 2 231.299 1.564 20 30 BDEDLO CN(Cc1[nH+]ccn1C)Cc1ccncc1C#N ZINC000592087219 347730680 /nfs/dbraw/zinc/73/06/80/347730680.db2.gz XDLFQGXXZIIGLL-UHFFFAOYSA-N 1 2 241.298 1.319 20 30 BDEDLO N#Cc1cnccc1C[NH+]1CCC(CO)CC1 ZINC000592060479 347732230 /nfs/dbraw/zinc/73/22/30/347732230.db2.gz OSUMSSXFNCJSAF-UHFFFAOYSA-N 1 2 231.299 1.158 20 30 BDEDLO N#Cc1cnccc1C[NH+]1CCSCC1 ZINC000592060178 347732377 /nfs/dbraw/zinc/73/23/77/347732377.db2.gz CYWRCNQSUFNSCD-UHFFFAOYSA-N 1 2 219.313 1.502 20 30 BDEDLO CC(C)Cn1nccc1C[NH2+]C[C@@H](C)C#N ZINC000592506613 347792382 /nfs/dbraw/zinc/79/23/82/347792382.db2.gz BYLOEAPUUYJSFU-NSHDSACASA-N 1 2 220.320 1.788 20 30 BDEDLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC000593100329 347856573 /nfs/dbraw/zinc/85/65/73/347856573.db2.gz OJIDFTKXYZKQFA-GRDNDAEWSA-N 1 2 245.347 1.243 20 30 BDEDLO 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C[N@H+](CCC(C)(C)C#N)Cc1c[nH]cn1 ZINC000595593686 348278881 /nfs/dbraw/zinc/27/88/81/348278881.db2.gz YHDSJWUGYVJSDW-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO C[N@@H+](CCC(C)(C)C#N)Cc1c[nH]cn1 ZINC000595593686 348278882 /nfs/dbraw/zinc/27/88/82/348278882.db2.gz YHDSJWUGYVJSDW-UHFFFAOYSA-N 1 2 206.293 1.781 20 30 BDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(CC#N)CC1 ZINC000595601336 348295360 /nfs/dbraw/zinc/29/53/60/348295360.db2.gz BBQINXZHAXTPDX-UHFFFAOYSA-N 1 2 247.302 1.245 20 30 BDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(CC#N)CC1 ZINC000595601336 348295361 /nfs/dbraw/zinc/29/53/61/348295361.db2.gz BBQINXZHAXTPDX-UHFFFAOYSA-N 1 2 247.302 1.245 20 30 BDEDLO CC#CC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595707294 348319931 /nfs/dbraw/zinc/31/99/31/348319931.db2.gz LTHHYPBJHAJOIP-AULYBMBSSA-N 1 2 223.316 1.721 20 30 BDEDLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000595766936 348334902 /nfs/dbraw/zinc/33/49/02/348334902.db2.gz SPYAUUCZCWYNNT-PSASIEDQSA-N 1 2 237.328 1.360 20 30 BDEDLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000595766936 348334903 /nfs/dbraw/zinc/33/49/03/348334903.db2.gz SPYAUUCZCWYNNT-PSASIEDQSA-N 1 2 237.328 1.360 20 30 BDEDLO C#CC[N@@H+](CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000066538580 323183430 /nfs/dbraw/zinc/18/34/30/323183430.db2.gz BUIONGXKNLKAFL-LBPRGKRZSA-N 1 2 243.372 1.155 20 30 BDEDLO C#CC[N@H+](CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000066538580 323183431 /nfs/dbraw/zinc/18/34/31/323183431.db2.gz BUIONGXKNLKAFL-LBPRGKRZSA-N 1 2 243.372 1.155 20 30 BDEDLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835343 348369211 /nfs/dbraw/zinc/36/92/11/348369211.db2.gz QSVIZMKLAFYWPD-JSGCOSHPSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835343 348369213 /nfs/dbraw/zinc/36/92/13/348369213.db2.gz QSVIZMKLAFYWPD-JSGCOSHPSA-N 1 2 249.358 1.623 20 30 BDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835218 348369485 /nfs/dbraw/zinc/36/94/85/348369485.db2.gz PUXXULANEAXYAL-GXFFZTMASA-N 1 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/nfs/dbraw/zinc/65/78/79/348657879.db2.gz IPUYSOBWMUCADF-CQSZACIVSA-N 1 2 244.342 1.955 20 30 BDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000597079862 348657880 /nfs/dbraw/zinc/65/78/80/348657880.db2.gz IPUYSOBWMUCADF-CQSZACIVSA-N 1 2 244.342 1.955 20 30 BDEDLO CC(C)(C#N)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000597082023 348658875 /nfs/dbraw/zinc/65/88/75/348658875.db2.gz FKJIEZMLZJDCOZ-UHFFFAOYSA-N 1 2 233.319 1.642 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596893779 348630049 /nfs/dbraw/zinc/63/00/49/348630049.db2.gz JWFKPZJKOCQMDG-HBNTYKKESA-N 1 2 246.314 1.142 20 30 BDEDLO C[C@@H](CNC(=O)[C@@H](C)CC#N)Cn1cc[nH+]c1 ZINC000597282823 348712551 /nfs/dbraw/zinc/71/25/51/348712551.db2.gz SUJSDFVPCUEMSO-QWRGUYRKSA-N 1 2 234.303 1.185 20 30 BDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)CC#N ZINC000597291402 348713041 /nfs/dbraw/zinc/71/30/41/348713041.db2.gz YRABDXOIQVGUNH-LLVKDONJSA-N 1 2 248.330 1.705 20 30 BDEDLO N#CC1(CC(=O)NCc2[nH]cc[nH+]2)CCCCC1 ZINC000597212068 348680053 /nfs/dbraw/zinc/68/00/53/348680053.db2.gz RLFQJTDWDSHABF-UHFFFAOYSA-N 1 2 246.314 1.890 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597189237 348685083 /nfs/dbraw/zinc/68/50/83/348685083.db2.gz RTGJHSGZWBCBBJ-GMTAPVOTSA-N 1 2 246.314 1.188 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597189453 348685781 /nfs/dbraw/zinc/68/57/81/348685781.db2.gz UQUSJFBCQWMHLL-CMPLNLGQSA-N 1 2 246.314 1.110 20 30 BDEDLO Cc1cnn(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231047 348698549 /nfs/dbraw/zinc/69/85/49/348698549.db2.gz KQFNBFVVUQSCLV-GFCCVEGCSA-N 1 2 218.304 1.464 20 30 BDEDLO Cc1cnn(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231047 348698551 /nfs/dbraw/zinc/69/85/51/348698551.db2.gz KQFNBFVVUQSCLV-GFCCVEGCSA-N 1 2 218.304 1.464 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597858970 348829565 /nfs/dbraw/zinc/82/95/65/348829565.db2.gz XUWSHKSTJMWABS-NSHDSACASA-N 1 2 220.276 1.308 20 30 BDEDLO CC[C@@](C)(C#N)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597858970 348829567 /nfs/dbraw/zinc/82/95/67/348829567.db2.gz XUWSHKSTJMWABS-NSHDSACASA-N 1 2 220.276 1.308 20 30 BDEDLO C[C@H](C#N)N(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000598129441 348890275 /nfs/dbraw/zinc/89/02/75/348890275.db2.gz IBSXTJPQCHQYSC-SNVBAGLBSA-N 1 2 232.287 1.176 20 30 BDEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)cc1O ZINC000054179018 348890484 /nfs/dbraw/zinc/89/04/84/348890484.db2.gz JOSNULOKKQVONY-VIFPVBQESA-N 1 2 220.272 1.650 20 30 BDEDLO CCN(C(=O)CCn1cc[nH+]c1)[C@@H](C)C#N ZINC000598355256 348939708 /nfs/dbraw/zinc/93/97/08/348939708.db2.gz AZEGKQLNIGAAPE-JTQLQIEISA-N 1 2 220.276 1.034 20 30 BDEDLO C[C@H](C#N)N(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000598137689 348904945 /nfs/dbraw/zinc/90/49/45/348904945.db2.gz MJNXPGIERNNICW-SNVBAGLBSA-N 1 2 246.314 1.256 20 30 BDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598419649 348956731 /nfs/dbraw/zinc/95/67/31/348956731.db2.gz JMFYUWFWHSHNAX-GXFFZTMASA-N 1 2 246.314 1.350 20 30 BDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598419649 348956734 /nfs/dbraw/zinc/95/67/34/348956734.db2.gz JMFYUWFWHSHNAX-GXFFZTMASA-N 1 2 246.314 1.350 20 30 BDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000598600022 349005316 /nfs/dbraw/zinc/00/53/16/349005316.db2.gz BPEYIJRERDCVNL-VIFPVBQESA-N 1 2 232.274 1.628 20 30 BDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000598600022 349005320 /nfs/dbraw/zinc/00/53/20/349005320.db2.gz BPEYIJRERDCVNL-VIFPVBQESA-N 1 2 232.274 1.628 20 30 BDEDLO Cc1nccnc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000598674278 349019682 /nfs/dbraw/zinc/01/96/82/349019682.db2.gz OMXCFWMCKFWKOM-ZDUSSCGKSA-N 1 2 230.315 1.911 20 30 BDEDLO Cc1nccnc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000598674278 349019683 /nfs/dbraw/zinc/01/96/83/349019683.db2.gz OMXCFWMCKFWKOM-ZDUSSCGKSA-N 1 2 230.315 1.911 20 30 BDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CC1(C#N)CC1 ZINC000598738528 349036023 /nfs/dbraw/zinc/03/60/23/349036023.db2.gz ODFIRLUQGKFBEX-JTQLQIEISA-N 1 2 246.314 1.774 20 30 BDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1F ZINC000599159862 349109090 /nfs/dbraw/zinc/10/90/90/349109090.db2.gz DSJIKSPIDXNXMF-LLVKDONJSA-N 1 2 249.289 1.440 20 30 BDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1F ZINC000599159862 349109092 /nfs/dbraw/zinc/10/90/92/349109092.db2.gz DSJIKSPIDXNXMF-LLVKDONJSA-N 1 2 249.289 1.440 20 30 BDEDLO Cc1[nH+]c2ccc(C(=O)NO)cc2n1C ZINC000220706063 490227468 /nfs/dbraw/zinc/22/74/68/490227468.db2.gz AODZIGGVGLVCNN-UHFFFAOYSA-N 1 2 205.217 1.001 20 30 BDEDLO Cc1cc(N[C@H]2CO[C@@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000599180277 349122330 /nfs/dbraw/zinc/12/23/30/349122330.db2.gz KEEVOBGKUAMSMR-TZMCWYRMSA-N 1 2 243.310 1.663 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C(=O)OC)cn1 ZINC000599437315 349177212 /nfs/dbraw/zinc/17/72/12/349177212.db2.gz NUJKNXQSDJRBTC-SECBINFHSA-N 1 2 248.286 1.045 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000599601946 349232668 /nfs/dbraw/zinc/23/26/68/349232668.db2.gz KVTHDXLHSZYBHI-UTUOFQBUSA-N 1 2 239.315 1.051 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000599601946 349232670 /nfs/dbraw/zinc/23/26/70/349232670.db2.gz KVTHDXLHSZYBHI-UTUOFQBUSA-N 1 2 239.315 1.051 20 30 BDEDLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H]1C#N ZINC000601815233 349349514 /nfs/dbraw/zinc/34/95/14/349349514.db2.gz JNFDTJAHLZAUFZ-GHMZBOCLSA-N 1 2 246.314 1.493 20 30 BDEDLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H]1C#N ZINC000601815238 349349595 /nfs/dbraw/zinc/34/95/95/349349595.db2.gz JNFDTJAHLZAUFZ-WDEREUQCSA-N 1 2 246.314 1.493 20 30 BDEDLO CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCC[C@@H]1C#N ZINC000601815765 349350229 /nfs/dbraw/zinc/35/02/29/349350229.db2.gz JYZAKBGHBGIABR-NEPJUHHUSA-N 1 2 249.358 1.479 20 30 BDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601815815 349350578 /nfs/dbraw/zinc/35/05/78/349350578.db2.gz KHDVMYNUQOZNKD-CMPLNLGQSA-N 1 2 246.314 1.411 20 30 BDEDLO COCC1(C2CC2)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000601962676 349402344 /nfs/dbraw/zinc/40/23/44/349402344.db2.gz 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MYLDLPIHIFSXKS-JTQLQIEISA-N 1 2 232.331 1.853 20 30 BDEDLO C=CC[N@@H+](CC=C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000171748283 166327327 /nfs/dbraw/zinc/32/73/27/166327327.db2.gz FHNULKUORKKQBM-GFCCVEGCSA-N 1 2 243.372 1.628 20 30 BDEDLO C=CC[N@H+](CC=C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000171748283 166327331 /nfs/dbraw/zinc/32/73/31/166327331.db2.gz FHNULKUORKKQBM-GFCCVEGCSA-N 1 2 243.372 1.628 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000304220802 350754278 /nfs/dbraw/zinc/75/42/78/350754278.db2.gz MEPXEXGNOAFWFJ-ZDUSSCGKSA-N 1 2 231.295 1.772 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000304220802 350754283 /nfs/dbraw/zinc/75/42/83/350754283.db2.gz MEPXEXGNOAFWFJ-ZDUSSCGKSA-N 1 2 231.295 1.772 20 30 BDEDLO C=CCCOCC(=O)Nc1c[nH+]ccc1OC ZINC000623084375 350834827 /nfs/dbraw/zinc/83/48/27/350834827.db2.gz JUNKSIXUDLBTGI-UHFFFAOYSA-N 1 2 236.271 1.621 20 30 BDEDLO C=CCC[C@H](O)C[NH2+][C@](C)(CC)C(=O)OC ZINC000293253348 350863715 /nfs/dbraw/zinc/86/37/15/350863715.db2.gz ROSYGKQVIWQDPX-CMPLNLGQSA-N 1 2 229.320 1.245 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000343684641 350988370 /nfs/dbraw/zinc/98/83/70/350988370.db2.gz ZMNLNINDROKCJI-MNOVXSKESA-N 1 2 246.314 1.110 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000052660213 351064686 /nfs/dbraw/zinc/06/46/86/351064686.db2.gz JKZJZQJLXRYJEJ-SNVBAGLBSA-N 1 2 222.288 1.402 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000052660213 351064691 /nfs/dbraw/zinc/06/46/91/351064691.db2.gz JKZJZQJLXRYJEJ-SNVBAGLBSA-N 1 2 222.288 1.402 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](SC)C1 ZINC000382981905 351121336 /nfs/dbraw/zinc/12/13/36/351121336.db2.gz UOWAVYUGQDYXMW-RKDXNWHRSA-N 1 2 215.318 1.151 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](SC)C1 ZINC000382981905 351121337 /nfs/dbraw/zinc/12/13/37/351121337.db2.gz UOWAVYUGQDYXMW-RKDXNWHRSA-N 1 2 215.318 1.151 20 30 BDEDLO CC1(C#N)CC[NH+](Cc2nccc(N)n2)CC1 ZINC000272543363 351485033 /nfs/dbraw/zinc/48/50/33/351485033.db2.gz JTNDQXJCAUOBFN-UHFFFAOYSA-N 1 2 231.303 1.184 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)CCc1cscn1 ZINC000283921935 351986535 /nfs/dbraw/zinc/98/65/35/351986535.db2.gz KDRTVVDXIZFGTJ-SECBINFHSA-N 1 2 209.318 1.920 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)CCc1cscn1 ZINC000283921935 351986539 /nfs/dbraw/zinc/98/65/39/351986539.db2.gz KDRTVVDXIZFGTJ-SECBINFHSA-N 1 2 209.318 1.920 20 30 BDEDLO N#Cc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284373746 351996574 /nfs/dbraw/zinc/99/65/74/351996574.db2.gz LRENMBFITWMSNP-LBPRGKRZSA-N 1 2 245.282 1.526 20 30 BDEDLO N#Cc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284373743 351996673 /nfs/dbraw/zinc/99/66/73/351996673.db2.gz LRENMBFITWMSNP-GFCCVEGCSA-N 1 2 245.282 1.526 20 30 BDEDLO CC(C)[C@@H](C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC000286336000 352085839 /nfs/dbraw/zinc/08/58/39/352085839.db2.gz LTXMTNWFMZWGGQ-SECBINFHSA-N 1 2 220.276 1.007 20 30 BDEDLO COc1cccc(C[NH2+]CCC#N)c1OC ZINC000020199922 352141536 /nfs/dbraw/zinc/14/15/36/352141536.db2.gz KYKJLWVSUCFROQ-UHFFFAOYSA-N 1 2 220.272 1.707 20 30 BDEDLO N#CCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340359836 352245507 /nfs/dbraw/zinc/24/55/07/352245507.db2.gz IWTIKXTXTFHMRV-JTQLQIEISA-N 1 2 247.327 1.849 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCc1cnn(C)c1 ZINC000292062102 352300607 /nfs/dbraw/zinc/30/06/07/352300607.db2.gz CBEUCUZZPCRSGN-UHFFFAOYSA-N 1 2 218.304 1.364 20 30 BDEDLO C=CC[N@H+](CCC#N)CCc1cnn(C)c1 ZINC000292062102 352300611 /nfs/dbraw/zinc/30/06/11/352300611.db2.gz CBEUCUZZPCRSGN-UHFFFAOYSA-N 1 2 218.304 1.364 20 30 BDEDLO CCN(CC#N)CC[C@@H](C)[N@H+](CC)CC#N ZINC000411218732 191172190 /nfs/dbraw/zinc/17/21/90/191172190.db2.gz ZROORFDFHKXIQB-GFCCVEGCSA-N 1 2 222.336 1.456 20 30 BDEDLO CCN(CC#N)CC[C@@H](C)[N@@H+](CC)CC#N ZINC000411218732 191172191 /nfs/dbraw/zinc/17/21/91/191172191.db2.gz ZROORFDFHKXIQB-GFCCVEGCSA-N 1 2 222.336 1.456 20 30 BDEDLO CC[C@@H](C)[C@H]1CN(CCC#N)CC[N@@H+]1CCC#N ZINC000411403411 191185122 /nfs/dbraw/zinc/18/51/22/191185122.db2.gz UPIRMAWCPBMECE-ZIAGYGMSSA-N 1 2 248.374 1.846 20 30 BDEDLO CC[C@@H](C)[C@H]1CN(CCC#N)CC[N@H+]1CCC#N ZINC000411403411 191185123 /nfs/dbraw/zinc/18/51/23/191185123.db2.gz UPIRMAWCPBMECE-ZIAGYGMSSA-N 1 2 248.374 1.846 20 30 BDEDLO C=CCN(Cc1[nH+]ccn1C)CC(F)(F)F ZINC000264866876 166349767 /nfs/dbraw/zinc/34/97/67/166349767.db2.gz QHVHPLVLHSONGK-UHFFFAOYSA-N 1 2 233.237 1.970 20 30 BDEDLO CC[N@@H+](CC(=O)NC1CCCC1)C[C@H](C)C#N ZINC000042287613 352617915 /nfs/dbraw/zinc/61/79/15/352617915.db2.gz NSKAYQVRYHKKIC-LLVKDONJSA-N 1 2 237.347 1.527 20 30 BDEDLO CC[N@H+](CC(=O)NC1CCCC1)C[C@H](C)C#N ZINC000042287613 352617918 /nfs/dbraw/zinc/61/79/18/352617918.db2.gz NSKAYQVRYHKKIC-LLVKDONJSA-N 1 2 237.347 1.527 20 30 BDEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccn1 ZINC000342859928 352878710 /nfs/dbraw/zinc/87/87/10/352878710.db2.gz LOVRPGSLZPTAGR-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccn1 ZINC000342859928 352878713 /nfs/dbraw/zinc/87/87/13/352878713.db2.gz LOVRPGSLZPTAGR-SNVBAGLBSA-N 1 2 219.288 1.824 20 30 BDEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccn1 ZINC000342864895 352881475 /nfs/dbraw/zinc/88/14/75/352881475.db2.gz QZFCFLKKCXECJN-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccn1 ZINC000342864895 352881479 /nfs/dbraw/zinc/88/14/79/352881479.db2.gz QZFCFLKKCXECJN-SNVBAGLBSA-N 1 2 219.288 1.682 20 30 BDEDLO C[C@@H](O)[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000412096043 191260657 /nfs/dbraw/zinc/26/06/57/191260657.db2.gz SHORCLQBEZWABN-HIFRSBDPSA-N 1 2 245.322 1.120 20 30 BDEDLO C[C@@H](O)[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000412096043 191260659 /nfs/dbraw/zinc/26/06/59/191260659.db2.gz SHORCLQBEZWABN-HIFRSBDPSA-N 1 2 245.322 1.120 20 30 BDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000048812653 166366125 /nfs/dbraw/zinc/36/61/25/166366125.db2.gz MENLGSXZKLMZJJ-UHFFFAOYSA-N 1 2 236.290 1.560 20 30 BDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccccc1F ZINC000048812653 166366129 /nfs/dbraw/zinc/36/61/29/166366129.db2.gz MENLGSXZKLMZJJ-UHFFFAOYSA-N 1 2 236.290 1.560 20 30 BDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000329296144 538108781 /nfs/dbraw/zinc/10/87/81/538108781.db2.gz SSMWNSRKJOWMKH-ONGXEEELSA-N 1 2 232.287 1.991 20 30 BDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000329296144 538108782 /nfs/dbraw/zinc/10/87/82/538108782.db2.gz SSMWNSRKJOWMKH-ONGXEEELSA-N 1 2 232.287 1.991 20 30 BDEDLO CC(C)[C@H](C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609522527 353163798 /nfs/dbraw/zinc/16/37/98/353163798.db2.gz VPXWQOATBRWSTP-NSHDSACASA-N 1 2 234.303 1.328 20 30 BDEDLO Cc1nn(C)c(NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000329458717 538109093 /nfs/dbraw/zinc/10/90/93/538109093.db2.gz RGXUZQBXMGDIIL-UHFFFAOYSA-N 1 2 247.302 1.981 20 30 BDEDLO Cc1nn(C)c(NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000329458717 538109094 /nfs/dbraw/zinc/10/90/94/538109094.db2.gz RGXUZQBXMGDIIL-UHFFFAOYSA-N 1 2 247.302 1.981 20 30 BDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330875832 353189869 /nfs/dbraw/zinc/18/98/69/353189869.db2.gz JJESVEGYAMCSFE-GHMZBOCLSA-N 1 2 246.314 1.254 20 30 BDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CC#N ZINC000331061753 353214326 /nfs/dbraw/zinc/21/43/26/353214326.db2.gz NPOVUIAFBMGQPK-UHFFFAOYSA-N 1 2 220.276 1.069 20 30 BDEDLO CCN(CC#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000330951673 353203150 /nfs/dbraw/zinc/20/31/50/353203150.db2.gz KTPDBGQIPWUENN-UHFFFAOYSA-N 1 2 220.276 1.059 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)on1 ZINC000331182161 353227207 /nfs/dbraw/zinc/22/72/07/353227207.db2.gz XOGUINDOSLYEDI-NSHDSACASA-N 1 2 249.314 1.384 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)on1 ZINC000331182161 353227210 /nfs/dbraw/zinc/22/72/10/353227210.db2.gz XOGUINDOSLYEDI-NSHDSACASA-N 1 2 249.314 1.384 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000071088652 353262937 /nfs/dbraw/zinc/26/29/37/353262937.db2.gz XMRDRLMCFGLLIB-QMMMGPOBSA-N 1 2 202.685 1.079 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000071088652 353262940 /nfs/dbraw/zinc/26/29/40/353262940.db2.gz XMRDRLMCFGLLIB-QMMMGPOBSA-N 1 2 202.685 1.079 20 30 BDEDLO C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCOC1 ZINC000330007743 538114346 /nfs/dbraw/zinc/11/43/46/538114346.db2.gz GCKRCTHMJJCIGU-GFCCVEGCSA-N 1 2 237.303 1.868 20 30 BDEDLO C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCOC1 ZINC000330007743 538114347 /nfs/dbraw/zinc/11/43/47/538114347.db2.gz GCKRCTHMJJCIGU-GFCCVEGCSA-N 1 2 237.303 1.868 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000128642652 353297995 /nfs/dbraw/zinc/29/79/95/353297995.db2.gz QZBLIOJBYZTTQP-OAHLLOKOSA-N 1 2 229.323 1.953 20 30 BDEDLO CC#CC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000128642652 353297998 /nfs/dbraw/zinc/29/79/98/353297998.db2.gz QZBLIOJBYZTTQP-OAHLLOKOSA-N 1 2 229.323 1.953 20 30 BDEDLO CC#CCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334504478 353355036 /nfs/dbraw/zinc/35/50/36/353355036.db2.gz HZXFZBWCRSCFDE-VHSXEESVSA-N 1 2 232.287 1.211 20 30 BDEDLO COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054825481 353346977 /nfs/dbraw/zinc/34/69/77/353346977.db2.gz GGWQPUOQYLCAOO-CMPLNLGQSA-N 1 2 231.299 1.872 20 30 BDEDLO Cc1cc(N2CCC[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000398977331 353400818 /nfs/dbraw/zinc/40/08/18/353400818.db2.gz ZLUKGUJODYVXDY-NSHDSACASA-N 1 2 231.299 1.470 20 30 BDEDLO C=C(C)CNC(=O)CCc1c[nH+]cn1C ZINC000281668067 353455949 /nfs/dbraw/zinc/45/59/49/353455949.db2.gz SVRFTNQTPFXMPR-UHFFFAOYSA-N 1 2 207.277 1.045 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(CC)o1 ZINC000093461463 353486781 /nfs/dbraw/zinc/48/67/81/353486781.db2.gz IWAPWIHOCOVMHV-UHFFFAOYSA-N 1 2 201.269 1.910 20 30 BDEDLO C#CC[NH+](CC#C)Cc1ccc(C#N)c(OC)c1 ZINC000282205071 353466790 /nfs/dbraw/zinc/46/67/90/353466790.db2.gz GZZCGTNBPIVNGY-UHFFFAOYSA-N 1 2 238.290 1.635 20 30 BDEDLO N#CC1(C(=O)NCCc2[nH]cc[nH+]2)CCCCC1 ZINC000135071515 353529676 /nfs/dbraw/zinc/52/96/76/353529676.db2.gz PWIRLWBOHDLVFR-UHFFFAOYSA-N 1 2 246.314 1.542 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000192230246 353538374 /nfs/dbraw/zinc/53/83/74/353538374.db2.gz LAQVBBXEVXCFMC-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000192230246 353538375 /nfs/dbraw/zinc/53/83/75/353538375.db2.gz LAQVBBXEVXCFMC-UHFFFAOYSA-N 1 2 230.311 1.807 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000192237743 353538380 /nfs/dbraw/zinc/53/83/80/353538380.db2.gz IYXOSCGJEOPGTG-UHFFFAOYSA-N 1 2 210.321 1.197 20 30 BDEDLO C#CC[N@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000192237743 353538381 /nfs/dbraw/zinc/53/83/81/353538381.db2.gz IYXOSCGJEOPGTG-UHFFFAOYSA-N 1 2 210.321 1.197 20 30 BDEDLO C#CCN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287603619 353580070 /nfs/dbraw/zinc/58/00/70/353580070.db2.gz SHFMOCJPOPBZFX-UHFFFAOYSA-N 1 2 217.272 1.795 20 30 BDEDLO C#C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC000288211261 353603476 /nfs/dbraw/zinc/60/34/76/353603476.db2.gz MXFXGLPESUIEQW-LLVKDONJSA-N 1 2 233.315 1.437 20 30 BDEDLO C=CC[C@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000183444532 353551412 /nfs/dbraw/zinc/55/14/12/353551412.db2.gz BWOSWGSFMGFRFJ-SNVBAGLBSA-N 1 2 235.287 1.449 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)[C@H](C)C(=O)OCCC ZINC000286134817 353557469 /nfs/dbraw/zinc/55/74/69/353557469.db2.gz MVHKVNFAURBQPK-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO C#CC(C)(C)[N@H+](C)[C@H](C)C(=O)OCCC ZINC000286134817 353557472 /nfs/dbraw/zinc/55/74/72/353557472.db2.gz MVHKVNFAURBQPK-SNVBAGLBSA-N 1 2 211.305 1.672 20 30 BDEDLO OC[C@@]1(F)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000287031848 353568651 /nfs/dbraw/zinc/56/86/51/353568651.db2.gz SKXTVTRDXHCYQH-OAHLLOKOSA-N 1 2 247.313 1.835 20 30 BDEDLO OC[C@@]1(F)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000287031848 353568653 /nfs/dbraw/zinc/56/86/53/353568653.db2.gz SKXTVTRDXHCYQH-OAHLLOKOSA-N 1 2 247.313 1.835 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)cc1 ZINC000289473518 353629249 /nfs/dbraw/zinc/62/92/49/353629249.db2.gz ZEKBKCPCURWRLS-AWEZNQCLSA-N 1 2 242.322 1.378 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC)cc1 ZINC000289473518 353629253 /nfs/dbraw/zinc/62/92/53/353629253.db2.gz ZEKBKCPCURWRLS-AWEZNQCLSA-N 1 2 242.322 1.378 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cnc([C@@H](C)O)s1 ZINC000289342958 353614290 /nfs/dbraw/zinc/61/42/90/353614290.db2.gz MAZCKTYGNYCSIA-SECBINFHSA-N 1 2 224.329 1.652 20 30 BDEDLO C#CC[N@H+](CC)Cc1cnc([C@@H](C)O)s1 ZINC000289342958 353614294 /nfs/dbraw/zinc/61/42/94/353614294.db2.gz MAZCKTYGNYCSIA-SECBINFHSA-N 1 2 224.329 1.652 20 30 BDEDLO C#C[C@H](NC(=O)NCCn1cc[nH+]c1)C(C)(C)C ZINC000288932918 353615739 /nfs/dbraw/zinc/61/57/39/353615739.db2.gz UFDJPOKNNFRUIN-NSHDSACASA-N 1 2 248.330 1.230 20 30 BDEDLO C=C[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000291223002 353682608 /nfs/dbraw/zinc/68/26/08/353682608.db2.gz WBKNVMGIHXQULN-JTQLQIEISA-N 1 2 233.315 1.623 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 ZINC000343322035 353686222 /nfs/dbraw/zinc/68/62/22/353686222.db2.gz QBKGFVDJATXJMA-BDAKNGLRSA-N 1 2 248.248 1.678 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 ZINC000343322035 353686224 /nfs/dbraw/zinc/68/62/24/353686224.db2.gz QBKGFVDJATXJMA-BDAKNGLRSA-N 1 2 248.248 1.678 20 30 BDEDLO C#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000291690888 353697517 /nfs/dbraw/zinc/69/75/17/353697517.db2.gz JAWXDHFLADJDLR-MLRMMBSGSA-N 1 2 231.299 1.587 20 30 BDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000293074423 353732236 /nfs/dbraw/zinc/73/22/36/353732236.db2.gz JCOZOPJCDBNVLX-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000293074423 353732238 /nfs/dbraw/zinc/73/22/38/353732238.db2.gz JCOZOPJCDBNVLX-UHFFFAOYSA-N 1 2 248.301 1.397 20 30 BDEDLO C#CC[N@@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000294937803 353793737 /nfs/dbraw/zinc/79/37/37/353793737.db2.gz CMEVEFVNXGFUHV-UHFFFAOYSA-N 1 2 222.238 1.957 20 30 BDEDLO C#CC[N@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000294937803 353793738 /nfs/dbraw/zinc/79/37/38/353793738.db2.gz CMEVEFVNXGFUHV-UHFFFAOYSA-N 1 2 222.238 1.957 20 30 BDEDLO N#CC1(C[N@H+]2C[C@@H](F)C[C@@H]2CO)CCC1 ZINC000336256333 181028946 /nfs/dbraw/zinc/02/89/46/181028946.db2.gz ZNQQAJCYBXURGE-VHSXEESVSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CC1(C[N@@H+]2C[C@@H](F)C[C@@H]2CO)CCC1 ZINC000336256333 181028948 /nfs/dbraw/zinc/02/89/48/181028948.db2.gz ZNQQAJCYBXURGE-VHSXEESVSA-N 1 2 212.268 1.085 20 30 BDEDLO O=C(N[C@H]1CCCOC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329434956 353852334 /nfs/dbraw/zinc/85/23/34/353852334.db2.gz IQRSNWMIOFEDQH-QWRGUYRKSA-N 1 2 249.314 1.581 20 30 BDEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000053441778 363291918 /nfs/dbraw/zinc/29/19/18/363291918.db2.gz QDYAHTCKLWKZKR-UHFFFAOYSA-N 1 2 221.256 1.440 20 30 BDEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000053441778 363291925 /nfs/dbraw/zinc/29/19/25/363291925.db2.gz QDYAHTCKLWKZKR-UHFFFAOYSA-N 1 2 221.256 1.440 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCS[C@H](CC)C1 ZINC000301015547 363295376 /nfs/dbraw/zinc/29/53/76/363295376.db2.gz HZYHTCSBDGIBAA-ZJUUUORDSA-N 1 2 229.345 1.541 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCS[C@H](CC)C1 ZINC000301015547 363295378 /nfs/dbraw/zinc/29/53/78/363295378.db2.gz HZYHTCSBDGIBAA-ZJUUUORDSA-N 1 2 229.345 1.541 20 30 BDEDLO CC#CCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000343910472 354039043 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/nfs/dbraw/zinc/09/99/61/181099961.db2.gz BUEBIJXTIFPJBD-UHFFFAOYSA-N 1 2 232.268 1.273 20 30 BDEDLO C=C[C@H]([NH2+]C[C@H]1CCSC1)C(=O)OC ZINC000301043574 363369886 /nfs/dbraw/zinc/36/98/86/363369886.db2.gz LOUVSADQPVZGCD-BDAKNGLRSA-N 1 2 215.318 1.057 20 30 BDEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCOC3)c(F)c1 ZINC000294041897 181102239 /nfs/dbraw/zinc/10/22/39/181102239.db2.gz OWUHDXLPUSQJEZ-UHFFFAOYSA-N 1 2 246.285 1.920 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)o1 ZINC000093640159 181104126 /nfs/dbraw/zinc/10/41/26/181104126.db2.gz MVXMJLRGJZEZHA-UHFFFAOYSA-N 1 2 232.283 1.906 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)o1 ZINC000093640159 181104128 /nfs/dbraw/zinc/10/41/28/181104128.db2.gz MVXMJLRGJZEZHA-UHFFFAOYSA-N 1 2 232.283 1.906 20 30 BDEDLO N#Cc1ccc(NCc2ccc(N)[nH+]c2)nc1 ZINC000302782917 181123504 /nfs/dbraw/zinc/12/35/04/181123504.db2.gz SYIFLGHINSFTOM-UHFFFAOYSA-N 1 2 225.255 1.543 20 30 BDEDLO Cc1cc(C)c(CNC(=O)[C@]2(C#N)C[C@@H]2C)c[nH+]1 ZINC000334743553 354546600 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/nfs/dbraw/zinc/37/75/12/191377512.db2.gz HCXWTBYGZGWBAJ-UHFFFAOYSA-N 1 2 241.298 1.072 20 30 BDEDLO N#CCC1(O)C[NH+](Cc2cccc3ccoc32)C1 ZINC000583545755 355522375 /nfs/dbraw/zinc/52/23/75/355522375.db2.gz WSNGRCWUTJKPOH-UHFFFAOYSA-N 1 2 242.278 1.893 20 30 BDEDLO COc1cc(C[NH2+]C[C@@H](C)C#N)sn1 ZINC000399136480 355760729 /nfs/dbraw/zinc/76/07/29/355760729.db2.gz AHFVRARXUVZJBI-ZETCQYMHSA-N 1 2 211.290 1.401 20 30 BDEDLO C[C@@H](CO)C[N@H+](CCC#N)Cc1ccccn1 ZINC000121149226 355791256 /nfs/dbraw/zinc/79/12/56/355791256.db2.gz KTGIFYOGHYQKMF-GFCCVEGCSA-N 1 2 233.315 1.426 20 30 BDEDLO C[C@@H](CO)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000121149226 355791258 /nfs/dbraw/zinc/79/12/58/355791258.db2.gz KTGIFYOGHYQKMF-GFCCVEGCSA-N 1 2 233.315 1.426 20 30 BDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251691 355877769 /nfs/dbraw/zinc/87/77/69/355877769.db2.gz FOWZRHZNNMPMIN-CYBMUJFWSA-N 1 2 228.295 1.357 20 30 BDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251691 355877772 /nfs/dbraw/zinc/87/77/72/355877772.db2.gz FOWZRHZNNMPMIN-CYBMUJFWSA-N 1 2 228.295 1.357 20 30 BDEDLO O=C(CN1CCn2cc[nH+]c2C1)NCC1CCC1 ZINC000329187501 355902391 /nfs/dbraw/zinc/90/23/91/355902391.db2.gz GVLQKCOPDURMOI-UHFFFAOYSA-N 1 2 248.330 1.455 20 30 BDEDLO CC[N@@H+](Cc1cnc(N(C)C)nc1)C[C@@H](C)C#N ZINC000352095986 134062280 /nfs/dbraw/zinc/06/22/80/134062280.db2.gz CPENKZFEZTWLIC-NSHDSACASA-N 1 2 247.346 1.524 20 30 BDEDLO CC[N@H+](Cc1cnc(N(C)C)nc1)C[C@@H](C)C#N ZINC000352095986 134062281 /nfs/dbraw/zinc/06/22/81/134062281.db2.gz CPENKZFEZTWLIC-NSHDSACASA-N 1 2 247.346 1.524 20 30 BDEDLO O=C(NCC1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000329692154 356031618 /nfs/dbraw/zinc/03/16/18/356031618.db2.gz GTUVSSABKDGVAE-UHFFFAOYSA-N 1 2 248.330 1.803 20 30 BDEDLO [O-]C(=[NH+]CC1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000329692154 356031624 /nfs/dbraw/zinc/03/16/24/356031624.db2.gz GTUVSSABKDGVAE-UHFFFAOYSA-N 1 2 248.330 1.803 20 30 BDEDLO [O-]C(NCC1CCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330174631 356176769 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/nfs/dbraw/zinc/50/36/15/356503615.db2.gz XTWVKLOZVRHHAW-NSHDSACASA-N 1 2 228.295 1.853 20 30 BDEDLO CC#CC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623290840 356503619 /nfs/dbraw/zinc/50/36/19/356503619.db2.gz XTWVKLOZVRHHAW-NSHDSACASA-N 1 2 228.295 1.853 20 30 BDEDLO CC#CC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623290839 356504034 /nfs/dbraw/zinc/50/40/34/356504034.db2.gz XTWVKLOZVRHHAW-LLVKDONJSA-N 1 2 228.295 1.853 20 30 BDEDLO CC#CC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623290839 356504036 /nfs/dbraw/zinc/50/40/36/356504036.db2.gz XTWVKLOZVRHHAW-LLVKDONJSA-N 1 2 228.295 1.853 20 30 BDEDLO C[C@@H](CCC#N)[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984272 192289930 /nfs/dbraw/zinc/28/99/30/192289930.db2.gz FEODVVFNHHEOCV-JTQLQIEISA-N 1 2 221.304 1.190 20 30 BDEDLO C[C@@H](CCC#N)[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984272 192289932 /nfs/dbraw/zinc/28/99/32/192289932.db2.gz FEODVVFNHHEOCV-JTQLQIEISA-N 1 2 221.304 1.190 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303177 356581360 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/nfs/dbraw/zinc/15/23/06/134152306.db2.gz CYAJASOGHKZCAJ-WDAIWFPHSA-N 1 2 214.334 1.131 20 30 BDEDLO C[C@@H]1C[N@H+](CCCC#N)C[C@H](C)[S@@]1=O ZINC000336627626 134152307 /nfs/dbraw/zinc/15/23/07/134152307.db2.gz CYAJASOGHKZCAJ-WDAIWFPHSA-N 1 2 214.334 1.131 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)NC[C@H](C)C#N ZINC000179874062 366327907 /nfs/dbraw/zinc/32/79/07/366327907.db2.gz HZOZYMZKMKOLHO-MRVPVSSYSA-N 1 2 218.260 1.671 20 30 BDEDLO Cc1cc(NC(=O)NC[C@@H](C)C#N)cc[nH+]1 ZINC000179834562 366320550 /nfs/dbraw/zinc/32/05/50/366320550.db2.gz BFYXQLRMAOYWSH-QMMMGPOBSA-N 1 2 218.260 1.671 20 30 BDEDLO N#CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334151861 134154688 /nfs/dbraw/zinc/15/46/88/134154688.db2.gz LMJFMLBDJQFPGV-CHWSQXEVSA-N 1 2 234.274 1.847 20 30 BDEDLO N#CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334151861 134154689 /nfs/dbraw/zinc/15/46/89/134154689.db2.gz LMJFMLBDJQFPGV-CHWSQXEVSA-N 1 2 234.274 1.847 20 30 BDEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114126312 134161507 /nfs/dbraw/zinc/16/15/07/134161507.db2.gz WJDAWXJHOSZIIN-VIFPVBQESA-N 1 2 223.276 1.007 20 30 BDEDLO COc1cc[nH+]cc1NC(=O)[C@H](C)C#N ZINC000353781055 134165066 /nfs/dbraw/zinc/16/50/66/134165066.db2.gz ONQLVGQNRCDIBG-SSDOTTSWSA-N 1 2 205.217 1.188 20 30 BDEDLO CN(CC(C)(C)C#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000353177881 134162396 /nfs/dbraw/zinc/16/23/96/134162396.db2.gz ZAVFZWCYEPILEH-UHFFFAOYSA-N 1 2 248.330 1.695 20 30 BDEDLO CCN(CCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC000354464371 134168384 /nfs/dbraw/zinc/16/83/84/134168384.db2.gz LFJLPLHGCRTKLC-UHFFFAOYSA-N 1 2 220.276 1.104 20 30 BDEDLO C[C@@H](C#N)CN(Cc1c[nH+]c[nH]1)C1CC1 ZINC000354032653 134166100 /nfs/dbraw/zinc/16/61/00/134166100.db2.gz CRKFMCFIMRPYDJ-VIFPVBQESA-N 1 2 204.277 1.534 20 30 BDEDLO C[C@@H](C#N)CN(Cc1c[nH]c[nH+]1)C1CC1 ZINC000354032653 134166101 /nfs/dbraw/zinc/16/61/01/134166101.db2.gz CRKFMCFIMRPYDJ-VIFPVBQESA-N 1 2 204.277 1.534 20 30 BDEDLO C=C(C)COCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000354955058 134170878 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BDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccccc1 ZINC000619716499 363913202 /nfs/dbraw/zinc/91/32/02/363913202.db2.gz MJONABMNAOOWGM-CYBMUJFWSA-N 1 2 249.310 1.725 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccccc1 ZINC000619716499 363913206 /nfs/dbraw/zinc/91/32/06/363913206.db2.gz MJONABMNAOOWGM-CYBMUJFWSA-N 1 2 249.310 1.725 20 30 BDEDLO CC#CC[NH2+]Cc1cn([C@H]2CC[C@H](C)C2)nn1 ZINC000630602960 364324371 /nfs/dbraw/zinc/32/43/71/364324371.db2.gz KEXIYRWSWCRDTG-AAEUAGOBSA-N 1 2 232.331 1.752 20 30 BDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000134401687 364403346 /nfs/dbraw/zinc/40/33/46/364403346.db2.gz MQKHCZVSUSRAOG-MRVPVSSYSA-N 1 2 225.317 1.096 20 30 BDEDLO CCC[N@H+](CC#N)C[C@@H]1CCCC[C@@H]1O ZINC000328529343 364866208 /nfs/dbraw/zinc/86/62/08/364866208.db2.gz WLCMVXQMUNYHTQ-RYUDHWBXSA-N 1 2 210.321 1.773 20 30 BDEDLO CCC[N@@H+](CC#N)C[C@@H]1CCCC[C@@H]1O ZINC000328529343 364866210 /nfs/dbraw/zinc/86/62/10/364866210.db2.gz WLCMVXQMUNYHTQ-RYUDHWBXSA-N 1 2 210.321 1.773 20 30 BDEDLO C=CCCn1cc(C[N@@H+](C)C[C@H](C)OC)nn1 ZINC000653674700 541442771 /nfs/dbraw/zinc/44/27/71/541442771.db2.gz TXPRPEIBZUGGKP-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C=CCCn1cc(C[N@H+](C)C[C@H](C)OC)nn1 ZINC000653674700 541442775 /nfs/dbraw/zinc/44/27/75/541442775.db2.gz TXPRPEIBZUGGKP-NSHDSACASA-N 1 2 238.335 1.321 20 30 BDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1CCCCC1 ZINC000068615344 370820954 /nfs/dbraw/zinc/82/09/54/370820954.db2.gz FZPWMRPPZJSCDG-SNVBAGLBSA-N 1 2 223.320 1.327 20 30 BDEDLO CNC(=O)c1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000068611318 370821217 /nfs/dbraw/zinc/82/12/17/370821217.db2.gz GFRDSYVQCOCYHN-SNVBAGLBSA-N 1 2 231.299 1.438 20 30 BDEDLO C[C@H]1C[NH+](Cc2ncc(C#N)cn2)C[C@H](C)S1 ZINC000581419351 367462156 /nfs/dbraw/zinc/46/21/56/367462156.db2.gz KEMIPJWAUKFTRJ-UWVGGRQHSA-N 1 2 248.355 1.674 20 30 BDEDLO CCn1cc[nH+]c1CNC(=O)[C@](C)(C#N)CC ZINC000385239575 367812207 /nfs/dbraw/zinc/81/22/07/367812207.db2.gz PSELSOMRCORUIF-LBPRGKRZSA-N 1 2 234.303 1.459 20 30 BDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000069036543 370876810 /nfs/dbraw/zinc/87/68/10/370876810.db2.gz OZFULRVUOLIDRC-DGCLKSJQSA-N 1 2 243.310 1.684 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](CC2(O)CCCC2)C1 ZINC000615640462 368183385 /nfs/dbraw/zinc/18/33/85/368183385.db2.gz XMCHJBMFAHEPBD-JTQLQIEISA-N 1 2 212.268 1.229 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](CC2(O)CCCC2)C1 ZINC000615640462 368183387 /nfs/dbraw/zinc/18/33/87/368183387.db2.gz XMCHJBMFAHEPBD-JTQLQIEISA-N 1 2 212.268 1.229 20 30 BDEDLO COC(=O)c1ccoc1C[NH+]1CCC(C#N)CC1 ZINC000057878785 368503305 /nfs/dbraw/zinc/50/33/05/368503305.db2.gz UDKVJOXEFRENJT-UHFFFAOYSA-N 1 2 248.282 1.802 20 30 BDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000566805287 326084958 /nfs/dbraw/zinc/08/49/58/326084958.db2.gz OQZBUBGVIJTJST-UWVGGRQHSA-N 1 2 234.303 1.834 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000066866906 368664114 /nfs/dbraw/zinc/66/41/14/368664114.db2.gz SQSOZCMVQUPZHU-UHFFFAOYSA-N 1 2 234.343 1.344 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000064795393 368612573 /nfs/dbraw/zinc/61/25/73/368612573.db2.gz JCEICVKSVGKPKL-GXFFZTMASA-N 1 2 236.290 1.951 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000064795393 368612577 /nfs/dbraw/zinc/61/25/77/368612577.db2.gz JCEICVKSVGKPKL-GXFFZTMASA-N 1 2 236.290 1.951 20 30 BDEDLO C=CCCC1(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000457855279 203113000 /nfs/dbraw/zinc/11/30/00/203113000.db2.gz KRAWPTSTKJSBAG-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO N#C[C@@]1(F)CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000618820836 369221659 /nfs/dbraw/zinc/22/16/59/369221659.db2.gz JEXJWWWHZKRTJT-UWVGGRQHSA-N 1 2 214.309 1.677 20 30 BDEDLO N#C[C@@]1(F)CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000618820836 369221662 /nfs/dbraw/zinc/22/16/62/369221662.db2.gz JEXJWWWHZKRTJT-UWVGGRQHSA-N 1 2 214.309 1.677 20 30 BDEDLO CC#CC[N@@H+](C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459489558 203292024 /nfs/dbraw/zinc/29/20/24/203292024.db2.gz QSZCRKSCNGJKKS-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO CC#CC[N@H+](C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459489558 203292028 /nfs/dbraw/zinc/29/20/28/203292028.db2.gz QSZCRKSCNGJKKS-NSHDSACASA-N 1 2 239.315 1.052 20 30 BDEDLO CCNC(=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000459603887 203313260 /nfs/dbraw/zinc/31/32/60/203313260.db2.gz ISEUHVAWGDQXFN-UHFFFAOYSA-N 1 2 249.339 1.188 20 30 BDEDLO Cn1c[nH+]cc1COc1ccccc1C#N ZINC000091278502 369367068 /nfs/dbraw/zinc/36/70/68/369367068.db2.gz VZJBIAYBNKDKPD-UHFFFAOYSA-N 1 2 213.240 1.871 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404506732 369431808 /nfs/dbraw/zinc/43/18/08/369431808.db2.gz HNVYNYBXOIEUCS-RYUDHWBXSA-N 1 2 241.331 1.603 20 30 BDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404506732 369431811 /nfs/dbraw/zinc/43/18/11/369431811.db2.gz HNVYNYBXOIEUCS-RYUDHWBXSA-N 1 2 241.331 1.603 20 30 BDEDLO COCC[N@H+](CCC#N)C[C@@H](O)CCC(C)C ZINC000619510950 369452218 /nfs/dbraw/zinc/45/22/18/369452218.db2.gz BTPVHIZLOSHKBK-ZDUSSCGKSA-N 1 2 242.363 1.646 20 30 BDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CCC(C)C ZINC000619510950 369452220 /nfs/dbraw/zinc/45/22/20/369452220.db2.gz BTPVHIZLOSHKBK-ZDUSSCGKSA-N 1 2 242.363 1.646 20 30 BDEDLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000259972208 370960790 /nfs/dbraw/zinc/96/07/90/370960790.db2.gz KAHXQRVZBAAKIX-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000259972208 370960797 /nfs/dbraw/zinc/96/07/97/370960797.db2.gz KAHXQRVZBAAKIX-NSHDSACASA-N 1 2 218.304 1.844 20 30 BDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000259989813 370962346 /nfs/dbraw/zinc/96/23/46/370962346.db2.gz LCZWYXQVHJXSCV-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000259989813 370962351 /nfs/dbraw/zinc/96/23/51/370962351.db2.gz LCZWYXQVHJXSCV-JTQLQIEISA-N 1 2 204.277 1.535 20 30 BDEDLO C=C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)C(=O)OC ZINC000619703015 369535944 /nfs/dbraw/zinc/53/59/44/369535944.db2.gz CXYOTAFARLWXNM-UTUOFQBUSA-N 1 2 241.331 1.509 20 30 BDEDLO CC(C)(F)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000601927486 369718821 /nfs/dbraw/zinc/71/88/21/369718821.db2.gz DXKFGYNXLGPTBR-NSHDSACASA-N 1 2 249.289 1.422 20 30 BDEDLO C=CCCOCC(=O)Nc1cc[nH+]c(C)c1 ZINC000620167752 369756300 /nfs/dbraw/zinc/75/63/00/369756300.db2.gz BELHVGXRFLXKKL-UHFFFAOYSA-N 1 2 220.272 1.343 20 30 BDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000602445878 369790103 /nfs/dbraw/zinc/79/01/03/369790103.db2.gz XLHABOCOUVLYSW-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000602445878 369790106 /nfs/dbraw/zinc/79/01/06/369790106.db2.gz XLHABOCOUVLYSW-WDEREUQCSA-N 1 2 231.299 1.562 20 30 BDEDLO CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000602900160 369861286 /nfs/dbraw/zinc/86/12/86/369861286.db2.gz SUIXPRKLBLCLJK-CQSZACIVSA-N 1 2 246.310 1.671 20 30 BDEDLO CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000602900160 369861289 /nfs/dbraw/zinc/86/12/89/369861289.db2.gz SUIXPRKLBLCLJK-CQSZACIVSA-N 1 2 246.310 1.671 20 30 BDEDLO C=C[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621909885 370593998 /nfs/dbraw/zinc/59/39/98/370593998.db2.gz OYIHECKKEIAAFT-QMMMGPOBSA-N 1 2 207.277 1.378 20 30 BDEDLO C=C[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633106383 373295814 /nfs/dbraw/zinc/29/58/14/373295814.db2.gz IQBNDKMXPNZQHU-MRVPVSSYSA-N 1 2 208.265 1.126 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2[nH+]ccn2CC)C1 ZINC000633286140 373450299 /nfs/dbraw/zinc/45/02/99/373450299.db2.gz SGIREUBEIMETGD-UHFFFAOYSA-N 1 2 233.315 1.876 20 30 BDEDLO CCCNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480443 169245676 /nfs/dbraw/zinc/24/56/76/169245676.db2.gz CBCPPINSFPZCDC-JTQLQIEISA-N 1 2 241.310 1.229 20 30 BDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454420 169368500 /nfs/dbraw/zinc/36/85/00/169368500.db2.gz FVFXGANCQMTVJY-NEPJUHHUSA-N 1 2 239.363 1.915 20 30 BDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454420 169368502 /nfs/dbraw/zinc/36/85/02/169368502.db2.gz FVFXGANCQMTVJY-NEPJUHHUSA-N 1 2 239.363 1.915 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000372089798 532995678 /nfs/dbraw/zinc/99/56/78/532995678.db2.gz XOWHCEKBPFFALB-JTQLQIEISA-N 1 2 245.326 1.433 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000372089798 532995686 /nfs/dbraw/zinc/99/56/86/532995686.db2.gz XOWHCEKBPFFALB-JTQLQIEISA-N 1 2 245.326 1.433 20 30 BDEDLO C=CCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000560011956 383840575 /nfs/dbraw/zinc/84/05/75/383840575.db2.gz VBQOCKLLYSPNRV-UHFFFAOYSA-N 1 2 228.299 1.842 20 30 BDEDLO C#CCCCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000372866358 533020633 /nfs/dbraw/zinc/02/06/33/533020633.db2.gz PHPNKFTXDCOSDZ-GFCCVEGCSA-N 1 2 245.326 1.426 20 30 BDEDLO Cc1ccc(C#N)c(N2CC(n3cc[nH+]c3)C2)n1 ZINC000557608024 383899725 /nfs/dbraw/zinc/89/97/25/383899725.db2.gz ZHXKDVYMUAFCCS-UHFFFAOYSA-N 1 2 239.282 1.520 20 30 BDEDLO COC[C@@H]1CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000339281150 383946023 /nfs/dbraw/zinc/94/60/23/383946023.db2.gz IXGXUKAGERIIRE-NSHDSACASA-N 1 2 234.274 1.918 20 30 BDEDLO COC[C@@H]1CC[N@H+]1Cc1cccc(F)c1C#N ZINC000339281150 383946032 /nfs/dbraw/zinc/94/60/32/383946032.db2.gz IXGXUKAGERIIRE-NSHDSACASA-N 1 2 234.274 1.918 20 30 BDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000298856519 384024664 /nfs/dbraw/zinc/02/46/64/384024664.db2.gz IVNJGUNXLHCTNV-PRHODGIISA-N 1 2 209.742 1.438 20 30 BDEDLO C=C(Cl)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000298856519 384024668 /nfs/dbraw/zinc/02/46/68/384024668.db2.gz IVNJGUNXLHCTNV-PRHODGIISA-N 1 2 209.742 1.438 20 30 BDEDLO Cn1c[nH+]cc1CNc1cnccc1C#N ZINC000309603155 384046902 /nfs/dbraw/zinc/04/69/02/384046902.db2.gz XFNYEBNDJZEOGA-UHFFFAOYSA-N 1 2 213.244 1.299 20 30 BDEDLO C=CCCN(C)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000299147710 384118948 /nfs/dbraw/zinc/11/89/48/384118948.db2.gz YPTMKYACTTXRQX-SNVBAGLBSA-N 1 2 236.319 1.282 20 30 BDEDLO C=CCCN(C)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000299147710 384118951 /nfs/dbraw/zinc/11/89/51/384118951.db2.gz YPTMKYACTTXRQX-SNVBAGLBSA-N 1 2 236.319 1.282 20 30 BDEDLO COCC[N@H+](CC#N)CC1Cc2ccccc2C1 ZINC000560362260 384092996 /nfs/dbraw/zinc/09/29/96/384092996.db2.gz YSMUWNZSRYLJRE-UHFFFAOYSA-N 1 2 244.338 1.873 20 30 BDEDLO COCC[N@@H+](CC#N)CC1Cc2ccccc2C1 ZINC000560362260 384093002 /nfs/dbraw/zinc/09/30/02/384093002.db2.gz YSMUWNZSRYLJRE-UHFFFAOYSA-N 1 2 244.338 1.873 20 30 BDEDLO Cc1cc(N[C@H]2CC[C@@H]2C)c(C#N)c[nH+]1 ZINC000335512001 384295984 /nfs/dbraw/zinc/29/59/84/384295984.db2.gz PTVULOCFMSHGCD-KWQFWETISA-N 1 2 201.273 1.894 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047028423 384441120 /nfs/dbraw/zinc/44/11/20/384441120.db2.gz SGLAQIUTHDTGJZ-MNOVXSKESA-N 1 2 249.318 1.073 20 30 BDEDLO N#CCC[N@@H+](CCO)Cc1ccccc1 ZINC000047979865 384471343 /nfs/dbraw/zinc/47/13/43/384471343.db2.gz RTYAMSREUVGFKV-UHFFFAOYSA-N 1 2 204.273 1.395 20 30 BDEDLO N#CCC[N@H+](CCO)Cc1ccccc1 ZINC000047979865 384471347 /nfs/dbraw/zinc/47/13/47/384471347.db2.gz RTYAMSREUVGFKV-UHFFFAOYSA-N 1 2 204.273 1.395 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135729585 384587704 /nfs/dbraw/zinc/58/77/04/384587704.db2.gz YXNIYGVXSBWILU-AAEUAGOBSA-N 1 2 240.347 1.178 20 30 BDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135729585 384587710 /nfs/dbraw/zinc/58/77/10/384587710.db2.gz YXNIYGVXSBWILU-AAEUAGOBSA-N 1 2 240.347 1.178 20 30 BDEDLO C#C[C@H]1COCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000491381359 384606039 /nfs/dbraw/zinc/60/60/39/384606039.db2.gz DIGMITCGUBXLRI-JTQLQIEISA-N 1 2 242.282 1.105 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000565157678 384614423 /nfs/dbraw/zinc/61/44/23/384614423.db2.gz OOFWEDRNJFZKEY-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000565157678 384614431 /nfs/dbraw/zinc/61/44/31/384614431.db2.gz OOFWEDRNJFZKEY-AWEZNQCLSA-N 1 2 243.310 1.564 20 30 BDEDLO C[N@H+](C[C@@H]1CCCC[C@@H]1O)C(C)(C)C#N ZINC000162499626 384633533 /nfs/dbraw/zinc/63/35/33/384633533.db2.gz YCKIUOJXMUPTBV-QWRGUYRKSA-N 1 2 210.321 1.771 20 30 BDEDLO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C(C)(C)C#N ZINC000162499626 384633535 /nfs/dbraw/zinc/63/35/35/384633535.db2.gz YCKIUOJXMUPTBV-QWRGUYRKSA-N 1 2 210.321 1.771 20 30 BDEDLO C#CC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000306481086 384763632 /nfs/dbraw/zinc/76/36/32/384763632.db2.gz FSRKCFPIVZLUQK-SSDOTTSWSA-N 1 2 240.104 1.523 20 30 BDEDLO COCCN(CC#N)Cc1cn2ccccc2[nH+]1 ZINC000317203884 384818401 /nfs/dbraw/zinc/81/84/01/384818401.db2.gz VEAVCAKKSZZZGC-UHFFFAOYSA-N 1 2 244.298 1.306 20 30 BDEDLO C=CC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309776732 384828777 /nfs/dbraw/zinc/82/87/77/384828777.db2.gz PWNQMOGUUNMEAT-QMMMGPOBSA-N 1 2 221.308 1.623 20 30 BDEDLO C=CC[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309776732 384828782 /nfs/dbraw/zinc/82/87/82/384828782.db2.gz PWNQMOGUUNMEAT-QMMMGPOBSA-N 1 2 221.308 1.623 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)CCn1cc(Cl)cn1 ZINC000312887518 384842837 /nfs/dbraw/zinc/84/28/37/384842837.db2.gz FGFSMJANMLEXHP-SECBINFHSA-N 1 2 226.711 1.628 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)CCn1cc(Cl)cn1 ZINC000312887518 384842846 /nfs/dbraw/zinc/84/28/46/384842846.db2.gz FGFSMJANMLEXHP-SECBINFHSA-N 1 2 226.711 1.628 20 30 BDEDLO CC[N@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000312891560 384853474 /nfs/dbraw/zinc/85/34/74/384853474.db2.gz MKMCYWAMWJYLSJ-UHFFFAOYSA-N 1 2 226.711 1.772 20 30 BDEDLO CC[N@@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000312891560 384853482 /nfs/dbraw/zinc/85/34/82/384853482.db2.gz MKMCYWAMWJYLSJ-UHFFFAOYSA-N 1 2 226.711 1.772 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000250640732 384908829 /nfs/dbraw/zinc/90/88/29/384908829.db2.gz TYDJSURCMUNTKF-MNOVXSKESA-N 1 2 225.336 1.383 20 30 BDEDLO CC[C@H](C)NC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000250640732 384908834 /nfs/dbraw/zinc/90/88/34/384908834.db2.gz TYDJSURCMUNTKF-MNOVXSKESA-N 1 2 225.336 1.383 20 30 BDEDLO CC#CCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000297767275 384918743 /nfs/dbraw/zinc/91/87/43/384918743.db2.gz MRWRAGCHDGSGIW-UHFFFAOYSA-N 1 2 217.272 1.877 20 30 BDEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(COC)no1 ZINC000297973050 385012228 /nfs/dbraw/zinc/01/22/28/385012228.db2.gz VNOPUHMGIKJYBO-JTQLQIEISA-N 1 2 237.303 1.951 20 30 BDEDLO CC[N@H+](CCCO)Cc1nc(C#N)cs1 ZINC000356120020 385073705 /nfs/dbraw/zinc/07/37/05/385073705.db2.gz DBJBDHADBAXEKB-UHFFFAOYSA-N 1 2 225.317 1.219 20 30 BDEDLO CC[N@@H+](CCCO)Cc1nc(C#N)cs1 ZINC000356120020 385073709 /nfs/dbraw/zinc/07/37/09/385073709.db2.gz DBJBDHADBAXEKB-UHFFFAOYSA-N 1 2 225.317 1.219 20 30 BDEDLO Cn1cc[nH+]c1CNc1nccc(C#N)c1Cl ZINC000236062199 385023990 /nfs/dbraw/zinc/02/39/90/385023990.db2.gz ITVKSLBBYNVDCK-UHFFFAOYSA-N 1 2 247.689 1.952 20 30 BDEDLO C#CC[N@@H+](CC#CC)Cc1c(C)cnn1C ZINC000491537039 385117360 /nfs/dbraw/zinc/11/73/60/385117360.db2.gz NTYRVRLRZVCNSE-UHFFFAOYSA-N 1 2 215.300 1.187 20 30 BDEDLO C#CC[N@H+](CC#CC)Cc1c(C)cnn1C ZINC000491537039 385117366 /nfs/dbraw/zinc/11/73/66/385117366.db2.gz NTYRVRLRZVCNSE-UHFFFAOYSA-N 1 2 215.300 1.187 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491542780 385125314 /nfs/dbraw/zinc/12/53/14/385125314.db2.gz BYVCBQAKCNBNGI-UWVGGRQHSA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@@H](CC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491542780 385125320 /nfs/dbraw/zinc/12/53/20/385125320.db2.gz BYVCBQAKCNBNGI-UWVGGRQHSA-N 1 2 219.288 1.116 20 30 BDEDLO N#Cc1ncccc1NCCn1cc[nH+]c1 ZINC000129915256 385202555 /nfs/dbraw/zinc/20/25/55/385202555.db2.gz LEZMIBUEWUYBBS-UHFFFAOYSA-N 1 2 213.244 1.262 20 30 BDEDLO C[C@@H](N1CC[NH+](CCCC#N)CC1)C(F)(F)F ZINC000178239327 385219721 /nfs/dbraw/zinc/21/97/21/385219721.db2.gz ZCPFNHACNVXQMY-SNVBAGLBSA-N 1 2 249.280 1.859 20 30 BDEDLO Cc1c(C#N)cccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000338192834 385221320 /nfs/dbraw/zinc/22/13/20/385221320.db2.gz HOAZSFLKBZYWEI-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO Cc1c(C#N)cccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000338192834 385221322 /nfs/dbraw/zinc/22/13/22/385221322.db2.gz HOAZSFLKBZYWEI-UHFFFAOYSA-N 1 2 240.266 1.520 20 30 BDEDLO C#C[C@@H](CCC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000491287322 385304633 /nfs/dbraw/zinc/30/46/33/385304633.db2.gz LQPUWKUCIXWBCU-LAUAKBEESA-N 1 2 245.326 1.834 20 30 BDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000189989918 385352754 /nfs/dbraw/zinc/35/27/54/385352754.db2.gz DWWAAHXDRPMZEF-ZDUSSCGKSA-N 1 2 248.282 1.679 20 30 BDEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000189989918 385352759 /nfs/dbraw/zinc/35/27/59/385352759.db2.gz DWWAAHXDRPMZEF-ZDUSSCGKSA-N 1 2 248.282 1.679 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cn[nH]c3C2)C1 ZINC000590166956 385429850 /nfs/dbraw/zinc/42/98/50/385429850.db2.gz IZNNWNDBNQNVCT-GXSJLCMTSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3cn[nH]c3C2)C1 ZINC000590166956 385429852 /nfs/dbraw/zinc/42/98/52/385429852.db2.gz IZNNWNDBNQNVCT-GXSJLCMTSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c[nH]nc3C2)C1 ZINC000590166956 385429855 /nfs/dbraw/zinc/42/98/55/385429855.db2.gz IZNNWNDBNQNVCT-GXSJLCMTSA-N 1 2 216.288 1.460 20 30 BDEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c[nH]nc3C2)C1 ZINC000590166956 385429858 /nfs/dbraw/zinc/42/98/58/385429858.db2.gz IZNNWNDBNQNVCT-GXSJLCMTSA-N 1 2 216.288 1.460 20 30 BDEDLO Cn1cc(C[NH+]2CC(n3cccn3)C2)cc1C#N ZINC000364829764 385524070 /nfs/dbraw/zinc/52/40/70/385524070.db2.gz FHGJGTLVINVHMJ-UHFFFAOYSA-N 1 2 241.298 1.150 20 30 BDEDLO CC[C@H](CC#N)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493328769 385564061 /nfs/dbraw/zinc/56/40/61/385564061.db2.gz DAJIBNQDXMATRJ-ZBJFTSOASA-N 1 2 218.260 1.231 20 30 BDEDLO C[C@@H](C#N)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492901770 533132074 /nfs/dbraw/zinc/13/20/74/533132074.db2.gz PMMYADUCEBGEGZ-TYRPZCRBSA-N 1 2 218.260 1.041 20 30 BDEDLO CC[N@H+](CCCSCCOC)[C@@H](C)C#N ZINC000595821652 385638922 /nfs/dbraw/zinc/63/89/22/385638922.db2.gz YOHHCTPNMWGUJK-NSHDSACASA-N 1 2 230.377 1.990 20 30 BDEDLO CC[N@@H+](CCCSCCOC)[C@@H](C)C#N ZINC000595821652 385638930 /nfs/dbraw/zinc/63/89/30/385638930.db2.gz YOHHCTPNMWGUJK-NSHDSACASA-N 1 2 230.377 1.990 20 30 BDEDLO C[C@@H]([NH2+]Cc1ncnn1C)c1cccc(C#N)c1 ZINC000181985982 385968495 /nfs/dbraw/zinc/96/84/95/385968495.db2.gz IGQFUAYBGVTIHT-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C#CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024201815 533157051 /nfs/dbraw/zinc/15/70/51/533157051.db2.gz IIIJHMSMDPVAQT-UHFFFAOYSA-N 1 2 245.282 1.350 20 30 BDEDLO C=C(C)C(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000424891347 386117279 /nfs/dbraw/zinc/11/72/79/386117279.db2.gz JQPRNGJQBVVUEK-UHFFFAOYSA-N 1 2 235.331 1.681 20 30 BDEDLO Cc1cc(NC[C@@H](O)C2CCC2)c(C#N)c[nH+]1 ZINC000398971021 386280941 /nfs/dbraw/zinc/28/09/41/386280941.db2.gz ACJJSIGNAUDSMB-CYBMUJFWSA-N 1 2 231.299 1.257 20 30 BDEDLO Cc1cc(N2CC[C@@H](O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000398977246 386281533 /nfs/dbraw/zinc/28/15/33/386281533.db2.gz ZJKUDNSQNKHRSC-NOZJJQNGSA-N 1 2 231.299 1.469 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000343205527 386283162 /nfs/dbraw/zinc/28/31/62/386283162.db2.gz RBVUGKYNVBXNOG-SNVBAGLBSA-N 1 2 247.342 1.986 20 30 BDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000343205527 386283165 /nfs/dbraw/zinc/28/31/65/386283165.db2.gz RBVUGKYNVBXNOG-SNVBAGLBSA-N 1 2 247.342 1.986 20 30 BDEDLO C=CCNC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181329281 386349947 /nfs/dbraw/zinc/34/99/47/386349947.db2.gz XUCPRVLLQXBEHD-UHFFFAOYSA-N 1 2 245.326 1.348 20 30 BDEDLO C=CCNC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181329281 386349951 /nfs/dbraw/zinc/34/99/51/386349951.db2.gz XUCPRVLLQXBEHD-UHFFFAOYSA-N 1 2 245.326 1.348 20 30 BDEDLO C=CC[NH+](CC=C)CC(=O)OCC(C)C ZINC000181432338 386369557 /nfs/dbraw/zinc/36/95/57/386369557.db2.gz BCMPGOAFPSIHFK-UHFFFAOYSA-N 1 2 211.305 1.860 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347372830 386371902 /nfs/dbraw/zinc/37/19/02/386371902.db2.gz KIHLZRAWTUDTBG-ZDUSSCGKSA-N 1 2 240.322 1.621 20 30 BDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347372830 386371907 /nfs/dbraw/zinc/37/19/07/386371907.db2.gz KIHLZRAWTUDTBG-ZDUSSCGKSA-N 1 2 240.322 1.621 20 30 BDEDLO C#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000281953834 386393302 /nfs/dbraw/zinc/39/33/02/386393302.db2.gz IGDVYGSTFMZJMI-NSHDSACASA-N 1 2 219.288 1.116 20 30 BDEDLO C#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000281953834 386393307 /nfs/dbraw/zinc/39/33/07/386393307.db2.gz IGDVYGSTFMZJMI-NSHDSACASA-N 1 2 219.288 1.116 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000192232663 386487243 /nfs/dbraw/zinc/48/72/43/386487243.db2.gz REDSPHSQSWJAKA-ZDUSSCGKSA-N 1 2 230.311 1.381 20 30 BDEDLO C#CC[N@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000192232663 386487248 /nfs/dbraw/zinc/48/72/48/386487248.db2.gz REDSPHSQSWJAKA-ZDUSSCGKSA-N 1 2 230.311 1.381 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000192226760 386487477 /nfs/dbraw/zinc/48/74/77/386487477.db2.gz DVRFSTHKCMRXPS-UHFFFAOYSA-N 1 2 248.351 1.912 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000192226760 386487480 /nfs/dbraw/zinc/48/74/80/386487480.db2.gz DVRFSTHKCMRXPS-UHFFFAOYSA-N 1 2 248.351 1.912 20 30 BDEDLO Cc1cc(N[C@H](C)CCCCO)c(C#N)c[nH+]1 ZINC000399001330 386504731 /nfs/dbraw/zinc/50/47/31/386504731.db2.gz SICQNZMJJLLPJE-SNVBAGLBSA-N 1 2 233.315 1.647 20 30 BDEDLO CCC[C@@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000399004800 386504949 /nfs/dbraw/zinc/50/49/49/386504949.db2.gz WTGNVZXLCPYZEO-CYBMUJFWSA-N 1 2 233.315 1.647 20 30 BDEDLO C=C(C)COCCNc1cc(C)[nH+]cc1C#N ZINC000399351303 386521524 /nfs/dbraw/zinc/52/15/24/386521524.db2.gz DLYARWIIQGEPRE-UHFFFAOYSA-N 1 2 231.299 1.688 20 30 BDEDLO CCN(CCC#N)Cc1c[nH+]cn1CC ZINC000417696712 386566211 /nfs/dbraw/zinc/56/62/11/386566211.db2.gz HEUHMYICCIYFBZ-UHFFFAOYSA-N 1 2 206.293 1.639 20 30 BDEDLO C[C@@H]1C[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328871919 386639229 /nfs/dbraw/zinc/63/92/29/386639229.db2.gz QGPHIPXLGPUXNB-MXWKQRLJSA-N 1 2 248.330 1.532 20 30 BDEDLO CC[C@@H]1C[C@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328615039 386601421 /nfs/dbraw/zinc/60/14/21/386601421.db2.gz RNDQUAOLRCZABV-GMTAPVOTSA-N 1 2 248.330 1.500 20 30 BDEDLO CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328615039 386601426 /nfs/dbraw/zinc/60/14/26/386601426.db2.gz RNDQUAOLRCZABV-GMTAPVOTSA-N 1 2 248.330 1.500 20 30 BDEDLO C#CCOc1ccccc1C[NH+]1CCN(C)CC1 ZINC000112145484 533191614 /nfs/dbraw/zinc/19/16/14/533191614.db2.gz MWDRYMIWHDVXBT-UHFFFAOYSA-N 1 2 244.338 1.446 20 30 BDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366544691 386821044 /nfs/dbraw/zinc/82/10/44/386821044.db2.gz NBHCJAUOLLHTPJ-UONOGXRCSA-N 1 2 213.280 1.641 20 30 BDEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366544691 386821049 /nfs/dbraw/zinc/82/10/49/386821049.db2.gz NBHCJAUOLLHTPJ-UONOGXRCSA-N 1 2 213.280 1.641 20 30 BDEDLO Cc1[nH]c(C(=O)NC[C@@H](CO)C(C)C)c[nH+]1 ZINC000330675851 386853573 /nfs/dbraw/zinc/85/35/73/386853573.db2.gz JSVXOJHRNMJFPW-VIFPVBQESA-N 1 2 225.292 1.287 20 30 BDEDLO C=C(C)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000334787501 386849215 /nfs/dbraw/zinc/84/92/15/386849215.db2.gz JLSNKFDMIZZKQZ-UHFFFAOYSA-N 1 2 234.303 1.375 20 30 BDEDLO C[C@H]1COC[C@H](C)[NH+]1CC1(C#N)CCC1 ZINC000334791301 386855344 /nfs/dbraw/zinc/85/53/44/386855344.db2.gz PHONPWRRXMSKQR-QWRGUYRKSA-N 1 2 208.305 1.789 20 30 BDEDLO COCC1(CNc2cc(C)[nH+]cc2C#N)CCC1 ZINC000399541763 386991023 /nfs/dbraw/zinc/99/10/23/386991023.db2.gz ZCMCDWVNPXMCBN-UHFFFAOYSA-N 1 2 245.326 1.912 20 30 BDEDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c(C#N)cn1 ZINC000399550493 387002896 /nfs/dbraw/zinc/00/28/96/387002896.db2.gz CEFXKTXXUOOICI-LLVKDONJSA-N 1 2 241.298 1.381 20 30 BDEDLO Cc1cc(NCCc2ccn(C)n2)c(C#N)c[nH+]1 ZINC000399635982 387058300 /nfs/dbraw/zinc/05/83/00/387058300.db2.gz IEXXNRHHRHKRDU-UHFFFAOYSA-N 1 2 241.298 1.072 20 30 BDEDLO Cc1cc(NCc2ccn(C)n2)c(C#N)c[nH+]1 ZINC000399650804 387077868 /nfs/dbraw/zinc/07/78/68/387077868.db2.gz MVIFJKPTOSHGDP-UHFFFAOYSA-N 1 2 227.271 1.029 20 30 BDEDLO C=CC[N@@H+](Cc1nnn(C)n1)CC1CCCCC1 ZINC000193369504 387101736 /nfs/dbraw/zinc/10/17/36/387101736.db2.gz TWZGVVXOCHDIHM-UHFFFAOYSA-N 1 2 249.362 1.778 20 30 BDEDLO C=CC[N@H+](Cc1nnn(C)n1)CC1CCCCC1 ZINC000193369504 387101740 /nfs/dbraw/zinc/10/17/40/387101740.db2.gz TWZGVVXOCHDIHM-UHFFFAOYSA-N 1 2 249.362 1.778 20 30 BDEDLO C=C(CC)C[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000157243667 387109220 /nfs/dbraw/zinc/10/92/20/387109220.db2.gz TXYMDXRZEQRISG-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)C[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000157243667 387109225 /nfs/dbraw/zinc/10/92/25/387109225.db2.gz TXYMDXRZEQRISG-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000353170967 387147075 /nfs/dbraw/zinc/14/70/75/387147075.db2.gz REDUCTOVCMGAOS-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000353170967 387147081 /nfs/dbraw/zinc/14/70/81/387147081.db2.gz REDUCTOVCMGAOS-UHFFFAOYSA-N 1 2 246.310 1.942 20 30 BDEDLO C[C@@H](CNc1cnc(C#N)cn1)Cn1cc[nH+]c1 ZINC000121756191 387135433 /nfs/dbraw/zinc/13/54/33/387135433.db2.gz MSLBAESYAHEZHU-JTQLQIEISA-N 1 2 242.286 1.293 20 30 BDEDLO Cc1cc(NCCCCF)c(C#N)c[nH+]1 ZINC000399763029 387204102 /nfs/dbraw/zinc/20/41/02/387204102.db2.gz ZHBRWHYWCRAQSQ-UHFFFAOYSA-N 1 2 207.252 1.845 20 30 BDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nccs1 ZINC000572148939 387243027 /nfs/dbraw/zinc/24/30/27/387243027.db2.gz KRGGXSWFHCAXSA-VIFPVBQESA-N 1 2 220.301 1.676 20 30 BDEDLO C=C[C@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000643499167 387280482 /nfs/dbraw/zinc/28/04/82/387280482.db2.gz COSRXKIAKXKQDI-WRWORJQWSA-N 1 2 240.253 1.655 20 30 BDEDLO CC1(C#N)C[NH+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000515308282 387362659 /nfs/dbraw/zinc/36/26/59/387362659.db2.gz IQQZPIQAPOBQGO-QWRGUYRKSA-N 1 2 208.305 1.383 20 30 BDEDLO C#CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000270470708 387431838 /nfs/dbraw/zinc/43/18/38/387431838.db2.gz BYBZMRHAFUFONF-ZDUSSCGKSA-N 1 2 228.295 1.183 20 30 BDEDLO C#CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000270470708 387431842 /nfs/dbraw/zinc/43/18/42/387431842.db2.gz BYBZMRHAFUFONF-ZDUSSCGKSA-N 1 2 228.295 1.183 20 30 BDEDLO C=CCCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000265468333 387396865 /nfs/dbraw/zinc/39/68/65/387396865.db2.gz AAYCMYVXNAREON-UHFFFAOYSA-N 1 2 221.304 1.698 20 30 BDEDLO C=C1CC[NH+](Cc2cc(=O)c(O)co2)CC1 ZINC000265493721 387398027 /nfs/dbraw/zinc/39/80/27/387398027.db2.gz LASIVPCQYGYSSD-UHFFFAOYSA-N 1 2 221.256 1.497 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276165614 387517111 /nfs/dbraw/zinc/51/71/11/387517111.db2.gz QPYHCSGJGORXFK-DGCLKSJQSA-N 1 2 235.331 1.990 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)NCc1[nH+]ccn1C ZINC000276185022 387520568 /nfs/dbraw/zinc/52/05/68/387520568.db2.gz SWFXIYJLZQVOGR-LBPRGKRZSA-N 1 2 221.304 1.639 20 30 BDEDLO C=C[C@@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422198773 387585973 /nfs/dbraw/zinc/58/59/73/387585973.db2.gz CTCMOJOGYRGXNX-LBPRGKRZSA-N 1 2 249.314 1.045 20 30 BDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(C)C ZINC000042449685 387629356 /nfs/dbraw/zinc/62/93/56/387629356.db2.gz RYIKSIINHIIJBD-RYUDHWBXSA-N 1 2 239.363 1.629 20 30 BDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(C)C ZINC000042449685 387629370 /nfs/dbraw/zinc/62/93/70/387629370.db2.gz RYIKSIINHIIJBD-RYUDHWBXSA-N 1 2 239.363 1.629 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000042324321 387626403 /nfs/dbraw/zinc/62/64/03/387626403.db2.gz GYKKULNYMCGZGC-SDDRHHMPSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000042324321 387626408 /nfs/dbraw/zinc/62/64/08/387626408.db2.gz GYKKULNYMCGZGC-SDDRHHMPSA-N 1 2 239.363 1.771 20 30 BDEDLO C=C(C)CN(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000279229973 387562644 /nfs/dbraw/zinc/56/26/44/387562644.db2.gz OSRZHRGTYVOQGJ-UHFFFAOYSA-N 1 2 221.304 1.767 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000042454421 387627898 /nfs/dbraw/zinc/62/78/98/387627898.db2.gz FVFXGANCQMTVJY-RYUDHWBXSA-N 1 2 239.363 1.915 20 30 BDEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000042454421 387627900 /nfs/dbraw/zinc/62/79/00/387627900.db2.gz FVFXGANCQMTVJY-RYUDHWBXSA-N 1 2 239.363 1.915 20 30 BDEDLO Cn1cc(C[N@H+](C)Cc2ccon2)cc1C#N ZINC000276717005 387655975 /nfs/dbraw/zinc/65/59/75/387655975.db2.gz DSYQRDUDAXXLLX-UHFFFAOYSA-N 1 2 230.271 1.517 20 30 BDEDLO Cn1cc(C[N@@H+](C)Cc2ccon2)cc1C#N ZINC000276717005 387655977 /nfs/dbraw/zinc/65/59/77/387655977.db2.gz DSYQRDUDAXXLLX-UHFFFAOYSA-N 1 2 230.271 1.517 20 30 BDEDLO Cc1cc(NCCC2CC2)c(C#N)c[nH+]1 ZINC000399491043 387743445 /nfs/dbraw/zinc/74/34/45/387743445.db2.gz FSXOBTVXXXQFIB-UHFFFAOYSA-N 1 2 201.273 1.896 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000521457433 387742207 /nfs/dbraw/zinc/74/22/07/387742207.db2.gz SPZDHBNSPCPOIJ-MRVPVSSYSA-N 1 2 237.263 1.110 20 30 BDEDLO CN(CC(C)(C)C#N)c1[nH+]cnc2[nH]ccc21 ZINC000432131544 387761143 /nfs/dbraw/zinc/76/11/43/387761143.db2.gz YSSHGLUHHMFRSK-UHFFFAOYSA-N 1 2 229.287 1.944 20 30 BDEDLO C=CCC1(c2nc(C[NH2+]C)no2)CCOCC1 ZINC000424333128 387976667 /nfs/dbraw/zinc/97/66/67/387976667.db2.gz CUISGTXCEFEKFD-UHFFFAOYSA-N 1 2 237.303 1.413 20 30 BDEDLO Cn1c[nH+]cc1CNc1cccc(C#N)c1 ZINC000085167705 388084458 /nfs/dbraw/zinc/08/44/58/388084458.db2.gz JMGKKCCNCARIKU-UHFFFAOYSA-N 1 2 212.256 1.904 20 30 BDEDLO C[N@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC000056514617 388099464 /nfs/dbraw/zinc/09/94/64/388099464.db2.gz JGXVCQGLBUHRGH-UHFFFAOYSA-N 1 2 217.272 1.131 20 30 BDEDLO C[N@@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC000056514617 388099466 /nfs/dbraw/zinc/09/94/66/388099466.db2.gz JGXVCQGLBUHRGH-UHFFFAOYSA-N 1 2 217.272 1.131 20 30 BDEDLO N#Cc1ccccc1CN1CCn2c[nH+]cc2C1 ZINC000589520543 388114126 /nfs/dbraw/zinc/11/41/26/388114126.db2.gz HGDLFMWLBPFNIE-UHFFFAOYSA-N 1 2 238.294 1.771 20 30 BDEDLO Cc1cc(C)c(CNC(=O)NCCCC#N)c[nH+]1 ZINC000454783378 388133858 /nfs/dbraw/zinc/13/38/58/388133858.db2.gz LDJAKOZDEQPTDZ-UHFFFAOYSA-N 1 2 246.314 1.801 20 30 BDEDLO C=C(Cl)C[NH2+]Cc1ncc(Cl)n1C ZINC000167859420 388256079 /nfs/dbraw/zinc/25/60/79/388256079.db2.gz XWJLVILFQZJRGN-UHFFFAOYSA-N 1 2 220.103 1.916 20 30 BDEDLO C=CCC(C)(C)CNc1nc[nH+]c(N)c1OC ZINC000518562320 256580908 /nfs/dbraw/zinc/58/09/08/256580908.db2.gz GAMIXQIXMBWIEF-UHFFFAOYSA-N 1 2 236.319 1.504 20 30 BDEDLO C=CCC(C)(C)CNc1[nH+]cnc(N)c1OC ZINC000518562320 256580909 /nfs/dbraw/zinc/58/09/09/256580909.db2.gz GAMIXQIXMBWIEF-UHFFFAOYSA-N 1 2 236.319 1.504 20 30 BDEDLO C#CC[N@@H+](CC(=O)NC1CCC(C)CC1)C1CC1 ZINC000491277840 388281839 /nfs/dbraw/zinc/28/18/39/388281839.db2.gz QJLJTSZBEIYNCJ-UHFFFAOYSA-N 1 2 248.370 1.779 20 30 BDEDLO C#CC[N@H+](CC(=O)NC1CCC(C)CC1)C1CC1 ZINC000491277840 388281842 /nfs/dbraw/zinc/28/18/42/388281842.db2.gz QJLJTSZBEIYNCJ-UHFFFAOYSA-N 1 2 248.370 1.779 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000491285310 388282329 /nfs/dbraw/zinc/28/23/29/388282329.db2.gz CFGRPZWCMOWENJ-OCCSQVGLSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000491285310 388282330 /nfs/dbraw/zinc/28/23/30/388282330.db2.gz CFGRPZWCMOWENJ-OCCSQVGLSA-N 1 2 242.322 1.871 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cn1c2ccccc2oc1=O ZINC000491287822 388282514 /nfs/dbraw/zinc/28/25/14/388282514.db2.gz OIKIWPZNNWZXKM-SNVBAGLBSA-N 1 2 230.267 1.506 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000491287822 388282516 /nfs/dbraw/zinc/28/25/16/388282516.db2.gz OIKIWPZNNWZXKM-SNVBAGLBSA-N 1 2 230.267 1.506 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C(=O)OCC ZINC000451603527 388283556 /nfs/dbraw/zinc/28/35/56/388283556.db2.gz DJIBESNVBPARHF-AXFHLTTASA-N 1 2 227.304 1.261 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000491297840 388283856 /nfs/dbraw/zinc/28/38/56/388283856.db2.gz SCPMTCYVEALHDF-CQSZACIVSA-N 1 2 245.322 1.838 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC000491297840 388283858 /nfs/dbraw/zinc/28/38/58/388283858.db2.gz SCPMTCYVEALHDF-CQSZACIVSA-N 1 2 245.322 1.838 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000491325716 388284931 /nfs/dbraw/zinc/28/49/31/388284931.db2.gz GFIAYELLZQQQRP-SNVBAGLBSA-N 1 2 232.327 1.778 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000491325716 388284932 /nfs/dbraw/zinc/28/49/32/388284932.db2.gz GFIAYELLZQQQRP-SNVBAGLBSA-N 1 2 232.327 1.778 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@@H](CC)C1=O ZINC000491338023 388286578 /nfs/dbraw/zinc/28/65/78/388286578.db2.gz FRUZDAUJOUVVHO-WDEREUQCSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@@H](CC)C1=O ZINC000491338023 388286580 /nfs/dbraw/zinc/28/65/80/388286580.db2.gz FRUZDAUJOUVVHO-WDEREUQCSA-N 1 2 208.305 1.156 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCOCC1CCC1 ZINC000491381467 388290121 /nfs/dbraw/zinc/29/01/21/388290121.db2.gz FKJZQIZGJYBHPM-CYBMUJFWSA-N 1 2 223.316 1.137 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCOCC1CCC1 ZINC000491381467 388290123 /nfs/dbraw/zinc/29/01/23/388290123.db2.gz FKJZQIZGJYBHPM-CYBMUJFWSA-N 1 2 223.316 1.137 20 30 BDEDLO C#CC[N@@H+](Cc1nccc(C)n1)C1CC1 ZINC000491536596 388302136 /nfs/dbraw/zinc/30/21/36/388302136.db2.gz KYTIDNUBYSJKDO-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#CC[N@H+](Cc1nccc(C)n1)C1CC1 ZINC000491536596 388302138 /nfs/dbraw/zinc/30/21/38/388302138.db2.gz KYTIDNUBYSJKDO-UHFFFAOYSA-N 1 2 201.273 1.383 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000491536589 388302220 /nfs/dbraw/zinc/30/22/20/388302220.db2.gz KXGUMXFSYFGOAW-XQQFMLRXSA-N 1 2 234.343 1.689 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000491536589 388302222 /nfs/dbraw/zinc/30/22/22/388302222.db2.gz KXGUMXFSYFGOAW-XQQFMLRXSA-N 1 2 234.343 1.689 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CCc1cccc(C)n1 ZINC000491636676 388307238 /nfs/dbraw/zinc/30/72/38/388307238.db2.gz VQWLWLUEZOVEAQ-CQSZACIVSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1cccc(C)n1 ZINC000491636676 388307239 /nfs/dbraw/zinc/30/72/39/388307239.db2.gz VQWLWLUEZOVEAQ-CQSZACIVSA-N 1 2 230.311 1.267 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491676779 388310236 /nfs/dbraw/zinc/31/02/36/388310236.db2.gz XESURVIRHMZIGW-VIFPVBQESA-N 1 2 234.255 1.754 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491676779 388310237 /nfs/dbraw/zinc/31/02/37/388310237.db2.gz XESURVIRHMZIGW-VIFPVBQESA-N 1 2 234.255 1.754 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000491695284 388311636 /nfs/dbraw/zinc/31/16/36/388311636.db2.gz MLPNJLJOBGFNBJ-LSDHHAIUSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000491695284 388311637 /nfs/dbraw/zinc/31/16/37/388311637.db2.gz MLPNJLJOBGFNBJ-LSDHHAIUSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cccn1C ZINC000491694673 388311747 /nfs/dbraw/zinc/31/17/47/388311747.db2.gz GKNZBSOSHXEYGG-SNVBAGLBSA-N 1 2 204.273 1.161 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cccn1C ZINC000491694673 388311748 /nfs/dbraw/zinc/31/17/48/388311748.db2.gz GKNZBSOSHXEYGG-SNVBAGLBSA-N 1 2 204.273 1.161 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000491696146 388311984 /nfs/dbraw/zinc/31/19/84/388311984.db2.gz PLOJKPPTPMBJJE-UHFFFAOYSA-N 1 2 241.294 1.128 20 30 BDEDLO C#CC[N@H+](Cc1cnns1)C1CCCC1 ZINC000491724665 388314885 /nfs/dbraw/zinc/31/48/85/388314885.db2.gz BWHUJSQLWWNKEY-UHFFFAOYSA-N 1 2 221.329 1.916 20 30 BDEDLO C#CC[N@@H+](Cc1cnns1)C1CCCC1 ZINC000491724665 388314886 /nfs/dbraw/zinc/31/48/86/388314886.db2.gz BWHUJSQLWWNKEY-UHFFFAOYSA-N 1 2 221.329 1.916 20 30 BDEDLO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC000491733781 388316205 /nfs/dbraw/zinc/31/62/05/388316205.db2.gz KPIIDUUSMQOLIP-RYUDHWBXSA-N 1 2 247.342 1.998 20 30 BDEDLO C#CCN(C)c1nc(C2CC2)[nH+]c2c1CCC2 ZINC000491738092 388316627 /nfs/dbraw/zinc/31/66/27/388316627.db2.gz ORLKGGCMVZTNGX-UHFFFAOYSA-N 1 2 227.311 1.912 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OC)cc1 ZINC000491740829 388317047 /nfs/dbraw/zinc/31/70/47/388317047.db2.gz KHUNBSFAXMQIQB-CYBMUJFWSA-N 1 2 231.295 1.529 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000491740829 388317048 /nfs/dbraw/zinc/31/70/48/388317048.db2.gz KHUNBSFAXMQIQB-CYBMUJFWSA-N 1 2 231.295 1.529 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491750423 388317685 /nfs/dbraw/zinc/31/76/85/388317685.db2.gz RYJKCYBQPLMLGL-ZJUUUORDSA-N 1 2 219.288 1.068 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491750423 388317686 /nfs/dbraw/zinc/31/76/86/388317686.db2.gz RYJKCYBQPLMLGL-ZJUUUORDSA-N 1 2 219.288 1.068 20 30 BDEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491754946 388318147 /nfs/dbraw/zinc/31/81/47/388318147.db2.gz WSVDTBBRNCZUAY-WDEREUQCSA-N 1 2 248.330 1.627 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ncnn1CC(C)C ZINC000491807298 388322045 /nfs/dbraw/zinc/32/20/45/388322045.db2.gz SUKLJFJVAIYQMP-UHFFFAOYSA-N 1 2 234.347 1.778 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1ncnn1CC(C)C ZINC000491807298 388322046 /nfs/dbraw/zinc/32/20/46/388322046.db2.gz SUKLJFJVAIYQMP-UHFFFAOYSA-N 1 2 234.347 1.778 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000491807698 388322048 /nfs/dbraw/zinc/32/20/48/388322048.db2.gz SSASAKCQDFIZMX-SNVBAGLBSA-N 1 2 222.332 1.544 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000491807698 388322049 /nfs/dbraw/zinc/32/20/49/388322049.db2.gz SSASAKCQDFIZMX-SNVBAGLBSA-N 1 2 222.332 1.544 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1CC[C@@H](O)c1ccccc1 ZINC000491807006 388322210 /nfs/dbraw/zinc/32/22/10/388322210.db2.gz SDAXISUAXQARMH-HUUCEWRRSA-N 1 2 245.322 1.444 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000491807006 388322211 /nfs/dbraw/zinc/32/22/11/388322211.db2.gz SDAXISUAXQARMH-HUUCEWRRSA-N 1 2 245.322 1.444 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000491072627 388267726 /nfs/dbraw/zinc/26/77/26/388267726.db2.gz URJJYBHDTWLPCS-RKDXNWHRSA-N 1 2 230.258 1.011 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000491072627 388267728 /nfs/dbraw/zinc/26/77/28/388267728.db2.gz URJJYBHDTWLPCS-RKDXNWHRSA-N 1 2 230.258 1.011 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnccc1OC ZINC000491181034 388275335 /nfs/dbraw/zinc/27/53/35/388275335.db2.gz PYGLCADHAJCFDS-SNVBAGLBSA-N 1 2 204.273 1.544 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnccc1OC ZINC000491181034 388275336 /nfs/dbraw/zinc/27/53/36/388275336.db2.gz PYGLCADHAJCFDS-SNVBAGLBSA-N 1 2 204.273 1.544 20 30 BDEDLO C#CC(C)(C)[N@H+](C)Cc1ncc(C)cn1 ZINC000491209538 388277197 /nfs/dbraw/zinc/27/71/97/388277197.db2.gz INUQJARWACKHMY-UHFFFAOYSA-N 1 2 203.289 1.629 20 30 BDEDLO C#CC(C)(C)[N@@H+](C)Cc1ncc(C)cn1 ZINC000491209538 388277198 /nfs/dbraw/zinc/27/71/98/388277198.db2.gz INUQJARWACKHMY-UHFFFAOYSA-N 1 2 203.289 1.629 20 30 BDEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C1CC1 ZINC000491232026 388278758 /nfs/dbraw/zinc/27/87/58/388278758.db2.gz XKIWXRWGLFMMLR-LBPRGKRZSA-N 1 2 234.343 1.343 20 30 BDEDLO C#CC[N@H+](CC(=O)N1CCC[C@H](C)C1)C1CC1 ZINC000491232026 388278759 /nfs/dbraw/zinc/27/87/59/388278759.db2.gz XKIWXRWGLFMMLR-LBPRGKRZSA-N 1 2 234.343 1.343 20 30 BDEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CC#N)C1CC1 ZINC000492405879 388343749 /nfs/dbraw/zinc/34/37/49/388343749.db2.gz DWIMYNPIWAHAPL-AATRIKPKSA-N 1 2 244.298 1.431 20 30 BDEDLO Cc1ccc(C#N)nc1NCc1[nH+]ccn1C ZINC000596112326 388404286 /nfs/dbraw/zinc/40/42/86/388404286.db2.gz NSYROSCOSJONIE-UHFFFAOYSA-N 1 2 227.271 1.607 20 30 BDEDLO C[N@@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000177520305 388485579 /nfs/dbraw/zinc/48/55/79/388485579.db2.gz JSKAYRDDGLWMHK-UHFFFAOYSA-N 1 2 227.308 1.357 20 30 BDEDLO C[N@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000177520305 388485580 /nfs/dbraw/zinc/48/55/80/388485580.db2.gz JSKAYRDDGLWMHK-UHFFFAOYSA-N 1 2 227.308 1.357 20 30 BDEDLO C[C@@H](CC#N)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000177523203 388485882 /nfs/dbraw/zinc/48/58/82/388485882.db2.gz AVIDQOVYBVRFDS-JTQLQIEISA-N 1 2 241.335 1.745 20 30 BDEDLO C[C@@H](CC#N)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000177523203 388485884 /nfs/dbraw/zinc/48/58/84/388485884.db2.gz AVIDQOVYBVRFDS-JTQLQIEISA-N 1 2 241.335 1.745 20 30 BDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000106361314 388595460 /nfs/dbraw/zinc/59/54/60/388595460.db2.gz BPXZAAXVUFWRAY-ZDUSSCGKSA-N 1 2 243.310 1.269 20 30 BDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000106361314 388595462 /nfs/dbraw/zinc/59/54/62/388595462.db2.gz BPXZAAXVUFWRAY-ZDUSSCGKSA-N 1 2 243.310 1.269 20 30 BDEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCOC1 ZINC000356218770 388606507 /nfs/dbraw/zinc/60/65/07/388606507.db2.gz NKCMXJUOYJSPKC-SECBINFHSA-N 1 2 223.301 1.235 20 30 BDEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCOC1 ZINC000356218770 388606510 /nfs/dbraw/zinc/60/65/10/388606510.db2.gz NKCMXJUOYJSPKC-SECBINFHSA-N 1 2 223.301 1.235 20 30 BDEDLO C[C@H](CNc1ncccc1C#N)[NH+]1CCOCC1 ZINC000298323064 388607889 /nfs/dbraw/zinc/60/78/89/388607889.db2.gz TWUIPLMDLFPFSF-LLVKDONJSA-N 1 2 246.314 1.086 20 30 BDEDLO Cc1noc(C23CC(C2)C[N@@H+]3CCCC#N)n1 ZINC000528616202 388552307 /nfs/dbraw/zinc/55/23/07/388552307.db2.gz LBGBOGBCVPHLEJ-UHFFFAOYSA-N 1 2 232.287 1.603 20 30 BDEDLO Cc1noc(C23CC(C2)C[N@H+]3CCCC#N)n1 ZINC000528616202 388552309 /nfs/dbraw/zinc/55/23/09/388552309.db2.gz LBGBOGBCVPHLEJ-UHFFFAOYSA-N 1 2 232.287 1.603 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ncccc1O ZINC000517625596 388555555 /nfs/dbraw/zinc/55/55/55/388555555.db2.gz CSVISMVJYSWGCX-SECBINFHSA-N 1 2 205.261 1.521 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ncccc1O ZINC000517625596 388555556 /nfs/dbraw/zinc/55/55/56/388555556.db2.gz CSVISMVJYSWGCX-SECBINFHSA-N 1 2 205.261 1.521 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528791266 388573288 /nfs/dbraw/zinc/57/32/88/388573288.db2.gz CQKWMEMZWQDMSW-NSHDSACASA-N 1 2 244.298 1.623 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528791266 388573291 /nfs/dbraw/zinc/57/32/91/388573291.db2.gz CQKWMEMZWQDMSW-NSHDSACASA-N 1 2 244.298 1.623 20 30 BDEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000125480737 388671661 /nfs/dbraw/zinc/67/16/61/388671661.db2.gz DVBQOBHBXDZIAB-NSHDSACASA-N 1 2 224.304 1.706 20 30 BDEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCCC#N ZINC000125480737 388671663 /nfs/dbraw/zinc/67/16/63/388671663.db2.gz DVBQOBHBXDZIAB-NSHDSACASA-N 1 2 224.304 1.706 20 30 BDEDLO Cn1c[nH+]cc1COc1cccnc1C#N ZINC000358597222 388624132 /nfs/dbraw/zinc/62/41/32/388624132.db2.gz NOJHXWCMDTWHRZ-UHFFFAOYSA-N 1 2 214.228 1.266 20 30 BDEDLO Cc1ccc(CCNc2cc(C#N)ncn2)c[nH+]1 ZINC000526266031 388684935 /nfs/dbraw/zinc/68/49/35/388684935.db2.gz PEEQABPWWZQWMX-UHFFFAOYSA-N 1 2 239.282 1.128 20 30 BDEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ncn(C)n1 ZINC000275870683 388737115 /nfs/dbraw/zinc/73/71/15/388737115.db2.gz VILZHFJXMFPGSD-JTQLQIEISA-N 1 2 241.298 1.538 20 30 BDEDLO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](C#N)CCC#N ZINC000195519443 388712589 /nfs/dbraw/zinc/71/25/89/388712589.db2.gz ODSUTTYSUOPOAG-GFCCVEGCSA-N 1 2 245.330 1.686 20 30 BDEDLO CC[N@H+](Cc1cnn(C)c1)C[C@@H](C#N)CCC#N ZINC000195519443 388712591 /nfs/dbraw/zinc/71/25/91/388712591.db2.gz ODSUTTYSUOPOAG-GFCCVEGCSA-N 1 2 245.330 1.686 20 30 BDEDLO N#Cc1cccc(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000530676433 388714551 /nfs/dbraw/zinc/71/45/51/388714551.db2.gz PARWGNWAAZZDFQ-UHFFFAOYSA-N 1 2 240.266 1.140 20 30 BDEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000068740491 388716191 /nfs/dbraw/zinc/71/61/91/388716191.db2.gz LVEXUQQQJYVBSJ-CYBMUJFWSA-N 1 2 246.310 1.845 20 30 BDEDLO C[C@H](C#N)C[N@H+](Cc1ccc(CO)o1)C1CC1 ZINC000538763785 388721157 /nfs/dbraw/zinc/72/11/57/388721157.db2.gz UZNOOZYFWQZMRN-SNVBAGLBSA-N 1 2 234.299 1.896 20 30 BDEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(CO)o1)C1CC1 ZINC000538763785 388721159 /nfs/dbraw/zinc/72/11/59/388721159.db2.gz UZNOOZYFWQZMRN-SNVBAGLBSA-N 1 2 234.299 1.896 20 30 BDEDLO Cc1oc(C#N)cc1C(=O)NCc1[nH+]ccn1C ZINC000280762235 388787331 /nfs/dbraw/zinc/78/73/31/388787331.db2.gz YTNDAAXRBIVRKJ-UHFFFAOYSA-N 1 2 244.254 1.123 20 30 BDEDLO Cc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000554552266 388821435 /nfs/dbraw/zinc/82/14/35/388821435.db2.gz PEWWSQSFQBFCQO-GFCCVEGCSA-N 1 2 228.299 1.923 20 30 BDEDLO Cn1c[nH+]cc1CN1CCc2c1cccc2C#N ZINC000335437244 388829447 /nfs/dbraw/zinc/82/94/47/388829447.db2.gz PHFCXBNFGXEYQK-UHFFFAOYSA-N 1 2 238.294 1.854 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ncon2)C1 ZINC000555335202 388845016 /nfs/dbraw/zinc/84/50/16/388845016.db2.gz AYWOZTBCPWMGBX-VWYCJHECSA-N 1 2 232.287 1.899 20 30 BDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ncon2)C1 ZINC000555335202 388845020 /nfs/dbraw/zinc/84/50/20/388845020.db2.gz AYWOZTBCPWMGBX-VWYCJHECSA-N 1 2 232.287 1.899 20 30 BDEDLO Cc1nn2c(C[NH2+]C[C@@H](C)C#N)c(C)nc2s1 ZINC000541762368 388867294 /nfs/dbraw/zinc/86/72/94/388867294.db2.gz YBKULAIHYMICBR-ZETCQYMHSA-N 1 2 249.343 1.657 20 30 BDEDLO C[N@H+](Cc1nnc2n1CCC2)[C@@H]1CC[C@@H](C#N)C1 ZINC000555380243 388848089 /nfs/dbraw/zinc/84/80/89/388848089.db2.gz NVCAEXQDDLUZIZ-GHMZBOCLSA-N 1 2 245.330 1.348 20 30 BDEDLO C[N@@H+](Cc1nnc2n1CCC2)[C@@H]1CC[C@@H](C#N)C1 ZINC000555380243 388848091 /nfs/dbraw/zinc/84/80/91/388848091.db2.gz NVCAEXQDDLUZIZ-GHMZBOCLSA-N 1 2 245.330 1.348 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCCC#N ZINC000129503032 388849818 /nfs/dbraw/zinc/84/98/18/388849818.db2.gz XIWDMRGHNSZHFU-JTQLQIEISA-N 1 2 212.293 1.562 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCCC#N ZINC000129503032 388849822 /nfs/dbraw/zinc/84/98/22/388849822.db2.gz XIWDMRGHNSZHFU-JTQLQIEISA-N 1 2 212.293 1.562 20 30 BDEDLO CCCSCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000555480273 388851256 /nfs/dbraw/zinc/85/12/56/388851256.db2.gz MZWXQLXPMNJPRI-NSHDSACASA-N 1 2 243.376 1.090 20 30 BDEDLO CCNC(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000565828351 388971590 /nfs/dbraw/zinc/97/15/90/388971590.db2.gz LJCBXDHUSJGBLU-UHFFFAOYSA-N 1 2 231.299 1.440 20 30 BDEDLO C=C(C)C[N@@H+](C)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000351060038 533494344 /nfs/dbraw/zinc/49/43/44/533494344.db2.gz CTWMARACCGZECO-ZDUSSCGKSA-N 1 2 240.347 1.224 20 30 BDEDLO C=C(C)C[N@H+](C)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000351060038 533494350 /nfs/dbraw/zinc/49/43/50/533494350.db2.gz CTWMARACCGZECO-ZDUSSCGKSA-N 1 2 240.347 1.224 20 30 BDEDLO C=Cn1cc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000278283899 133552392 /nfs/dbraw/zinc/55/23/92/133552392.db2.gz TXIYIWHSVHTKJO-JTQLQIEISA-N 1 2 204.277 1.575 20 30 BDEDLO C=Cn1cc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000278283899 133552393 /nfs/dbraw/zinc/55/23/93/133552393.db2.gz TXIYIWHSVHTKJO-JTQLQIEISA-N 1 2 204.277 1.575 20 30 BDEDLO CC[N@H+](CC#N)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000332413222 134004975 /nfs/dbraw/zinc/00/49/75/134004975.db2.gz PGKIRBBEPSOYGH-WCQYABFASA-N 1 2 248.330 1.343 20 30 BDEDLO CC[N@@H+](CC#N)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000332413222 134004976 /nfs/dbraw/zinc/00/49/76/134004976.db2.gz PGKIRBBEPSOYGH-WCQYABFASA-N 1 2 248.330 1.343 20 30 BDEDLO Cc1ccn2cc(CNC(=O)CC#N)[nH+]c2c1 ZINC000336074211 134072695 /nfs/dbraw/zinc/07/26/95/134072695.db2.gz BYBCNNGPKRNLGX-UHFFFAOYSA-N 1 2 228.255 1.173 20 30 BDEDLO N#CC1(C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000352371995 134141748 /nfs/dbraw/zinc/14/17/48/134141748.db2.gz NUQFAGSEANNPPA-CYBMUJFWSA-N 1 2 236.315 1.172 20 30 BDEDLO N#CC1(C[N@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000352371995 134141749 /nfs/dbraw/zinc/14/17/49/134141749.db2.gz NUQFAGSEANNPPA-CYBMUJFWSA-N 1 2 236.315 1.172 20 30 BDEDLO C[C@@H](C#N)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336286793 134142202 /nfs/dbraw/zinc/14/22/02/134142202.db2.gz JVTAVZAXJIWUSS-VIFPVBQESA-N 1 2 243.270 1.615 20 30 BDEDLO Cc1cnc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000352458371 134146078 /nfs/dbraw/zinc/14/60/78/134146078.db2.gz JSPXOFQDTQNTAQ-UHFFFAOYSA-N 1 2 234.278 1.613 20 30 BDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@H](C2CC2)O1 ZINC000336543114 134149355 /nfs/dbraw/zinc/14/93/55/134149355.db2.gz OLLUSWUEEDBXEB-ZYHUDNBSSA-N 1 2 220.316 1.789 20 30 BDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@H](C2CC2)O1 ZINC000336543114 134149356 /nfs/dbraw/zinc/14/93/56/134149356.db2.gz OLLUSWUEEDBXEB-ZYHUDNBSSA-N 1 2 220.316 1.789 20 30 BDEDLO N#CC1(C[N@@H+]2CCOCC23CCCC3)CC1 ZINC000336573178 134150101 /nfs/dbraw/zinc/15/01/01/134150101.db2.gz LZYRDRTXTUFKMO-UHFFFAOYSA-N 1 2 220.316 1.935 20 30 BDEDLO N#CC1(C[N@H+]2CCOCC23CCCC3)CC1 ZINC000336573178 134150102 /nfs/dbraw/zinc/15/01/02/134150102.db2.gz LZYRDRTXTUFKMO-UHFFFAOYSA-N 1 2 220.316 1.935 20 30 BDEDLO CC#CC[N@H+]1CCCC[C@H]1C(=O)OCC ZINC000116325056 134162104 /nfs/dbraw/zinc/16/21/04/134162104.db2.gz ICSNCJBTVAHZJG-NSHDSACASA-N 1 2 209.289 1.427 20 30 BDEDLO CC#CC[N@@H+]1CCCC[C@H]1C(=O)OCC ZINC000116325056 134162105 /nfs/dbraw/zinc/16/21/05/134162105.db2.gz ICSNCJBTVAHZJG-NSHDSACASA-N 1 2 209.289 1.427 20 30 BDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000353594990 134164588 /nfs/dbraw/zinc/16/45/88/134164588.db2.gz GUMMUAYEJUOOFP-SMDDNHRTSA-N 1 2 247.342 1.916 20 30 BDEDLO C=CCOCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000354787799 134170047 /nfs/dbraw/zinc/17/00/47/134170047.db2.gz QQRQTMMJILQUSO-UHFFFAOYSA-N 1 2 249.314 1.249 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357786716 134185329 /nfs/dbraw/zinc/18/53/29/134185329.db2.gz BMLDVUAPXAYVMU-NXEZZACHSA-N 1 2 248.330 1.531 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357786716 134185330 /nfs/dbraw/zinc/18/53/30/134185330.db2.gz BMLDVUAPXAYVMU-NXEZZACHSA-N 1 2 248.330 1.531 20 30 BDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCCC#N)C1 ZINC000360398599 134200682 /nfs/dbraw/zinc/20/06/82/134200682.db2.gz YHAVAEWSMYPXBF-LLVKDONJSA-N 1 2 246.314 1.430 20 30 BDEDLO N#CCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000368994037 134221230 /nfs/dbraw/zinc/22/12/30/134221230.db2.gz XHWYCPKSBSFRKB-AXFHLTTASA-N 1 2 221.304 1.018 20 30 BDEDLO N#CCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000368994037 134221231 /nfs/dbraw/zinc/22/12/31/134221231.db2.gz XHWYCPKSBSFRKB-AXFHLTTASA-N 1 2 221.304 1.018 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121136283 134231564 /nfs/dbraw/zinc/23/15/64/134231564.db2.gz VWQQCUHDZWQDHP-LBPRGKRZSA-N 1 2 205.257 1.676 20 30 BDEDLO CC#CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121136283 134231565 /nfs/dbraw/zinc/23/15/65/134231565.db2.gz VWQQCUHDZWQDHP-LBPRGKRZSA-N 1 2 205.257 1.676 20 30 BDEDLO C#CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121217828 134232431 /nfs/dbraw/zinc/23/24/31/134232431.db2.gz LZWVZUVMMXYZFN-AWEZNQCLSA-N 1 2 215.296 1.867 20 30 BDEDLO CCn1cnnc1C[NH2+]Cc1cc(C#N)cs1 ZINC000224159252 134342114 /nfs/dbraw/zinc/34/21/14/134342114.db2.gz KYXCWYAFSJJPJR-UHFFFAOYSA-N 1 2 247.327 1.521 20 30 BDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000054183855 134388056 /nfs/dbraw/zinc/38/80/56/134388056.db2.gz HCZYBFCIDLKRCU-VIFPVBQESA-N 1 2 236.271 1.848 20 30 BDEDLO N#CC1(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000408110253 134394955 /nfs/dbraw/zinc/39/49/55/134394955.db2.gz MYNNKEBRTRKBNU-LLVKDONJSA-N 1 2 233.315 1.033 20 30 BDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000408110253 134394958 /nfs/dbraw/zinc/39/49/58/134394958.db2.gz MYNNKEBRTRKBNU-LLVKDONJSA-N 1 2 233.315 1.033 20 30 BDEDLO CN(CC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000068972091 134399217 /nfs/dbraw/zinc/39/92/17/134399217.db2.gz LDUGCVUVFGBYFC-UHFFFAOYSA-N 1 2 240.310 1.887 20 30 BDEDLO C=CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050058 134399877 /nfs/dbraw/zinc/39/98/77/134399877.db2.gz KSFYKIFABLFYQH-UHFFFAOYSA-N 1 2 227.267 1.788 20 30 BDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccncc1 ZINC000191082386 134568189 /nfs/dbraw/zinc/56/81/89/134568189.db2.gz VQIRZZUMJVPCQC-UHFFFAOYSA-N 1 2 249.314 1.155 20 30 BDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccncc1 ZINC000191082386 134568190 /nfs/dbraw/zinc/56/81/90/134568190.db2.gz VQIRZZUMJVPCQC-UHFFFAOYSA-N 1 2 249.314 1.155 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249974496 135047300 /nfs/dbraw/zinc/04/73/00/135047300.db2.gz PQMZOSHCMIPUDQ-GHMZBOCLSA-N 1 2 223.320 1.159 20 30 BDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249974496 135047302 /nfs/dbraw/zinc/04/73/02/135047302.db2.gz PQMZOSHCMIPUDQ-GHMZBOCLSA-N 1 2 223.320 1.159 20 30 BDEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000250378667 135052539 /nfs/dbraw/zinc/05/25/39/135052539.db2.gz CUPJXXGPPIKVMV-GHMZBOCLSA-N 1 2 239.363 1.771 20 30 BDEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000250378667 135052540 /nfs/dbraw/zinc/05/25/40/135052540.db2.gz CUPJXXGPPIKVMV-GHMZBOCLSA-N 1 2 239.363 1.771 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOCCC#N ZINC000339023257 135052574 /nfs/dbraw/zinc/05/25/74/135052574.db2.gz QEORZYJRMASENW-NSHDSACASA-N 1 2 242.319 1.189 20 30 BDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOCCC#N ZINC000339023257 135052577 /nfs/dbraw/zinc/05/25/77/135052577.db2.gz QEORZYJRMASENW-NSHDSACASA-N 1 2 242.319 1.189 20 30 BDEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](C)[S@@]1=O ZINC000339126133 135060289 /nfs/dbraw/zinc/06/02/89/135060289.db2.gz FROBSLWSKWHBGE-DNTKXJSJSA-N 1 2 240.372 1.520 20 30 BDEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](C)[S@@]1=O ZINC000339126133 135060290 /nfs/dbraw/zinc/06/02/90/135060290.db2.gz FROBSLWSKWHBGE-DNTKXJSJSA-N 1 2 240.372 1.520 20 30 BDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000251109584 135064577 /nfs/dbraw/zinc/06/45/77/135064577.db2.gz OVBBUFOJTITBFV-GHMZBOCLSA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+](C)C[C@H](C)C#N ZINC000251109584 135064579 /nfs/dbraw/zinc/06/45/79/135064579.db2.gz OVBBUFOJTITBFV-GHMZBOCLSA-N 1 2 237.347 1.525 20 30 BDEDLO C=CCOCC[N@@H+](C)Cc1nncn1C(C)C ZINC000339220955 135067309 /nfs/dbraw/zinc/06/73/09/135067309.db2.gz SPWAXUYHIBNSEW-UHFFFAOYSA-N 1 2 238.335 1.493 20 30 BDEDLO C=CCOCC[N@H+](C)Cc1nncn1C(C)C ZINC000339220955 135067311 /nfs/dbraw/zinc/06/73/11/135067311.db2.gz SPWAXUYHIBNSEW-UHFFFAOYSA-N 1 2 238.335 1.493 20 30 BDEDLO N#CCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339777237 135081706 /nfs/dbraw/zinc/08/17/06/135081706.db2.gz RKKWPIWYFFNIPB-GFCCVEGCSA-N 1 2 208.305 1.791 20 30 BDEDLO N#CCC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339777237 135081708 /nfs/dbraw/zinc/08/17/08/135081708.db2.gz RKKWPIWYFFNIPB-GFCCVEGCSA-N 1 2 208.305 1.791 20 30 BDEDLO Cc1[nH]ncc1C[NH+]1CCC(CC#N)CC1 ZINC000259989722 135146175 /nfs/dbraw/zinc/14/61/75/135146175.db2.gz LBQJBBVIRDUYKX-UHFFFAOYSA-N 1 2 218.304 1.844 20 30 BDEDLO Cc1cc(C[NH+]2CCOCC2)ccc1C#N ZINC000260741875 135149307 /nfs/dbraw/zinc/14/93/07/135149307.db2.gz FULPZOQHSLUHSC-UHFFFAOYSA-N 1 2 216.284 1.699 20 30 BDEDLO Cn1ccnc1C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293732269 135183514 /nfs/dbraw/zinc/18/35/14/135183514.db2.gz GSVKNPFQEODATH-GHMZBOCLSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293732269 135183515 /nfs/dbraw/zinc/18/35/15/135183515.db2.gz GSVKNPFQEODATH-GHMZBOCLSA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1ccnc1C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293732271 135183527 /nfs/dbraw/zinc/18/35/27/135183527.db2.gz GSVKNPFQEODATH-MNOVXSKESA-N 1 2 218.304 1.544 20 30 BDEDLO Cn1ccnc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293732271 135183528 /nfs/dbraw/zinc/18/35/28/135183528.db2.gz GSVKNPFQEODATH-MNOVXSKESA-N 1 2 218.304 1.544 20 30 BDEDLO C=CCN(CCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC000293914533 135184277 /nfs/dbraw/zinc/18/42/77/135184277.db2.gz SBMFPUYKYKQDBB-UHFFFAOYSA-N 1 2 232.287 1.271 20 30 BDEDLO C=CC[N@H+](CCC#N)CCc1cn[nH]c1 ZINC000298071004 135197384 /nfs/dbraw/zinc/19/73/84/135197384.db2.gz LBUUNNWFUDSXBU-UHFFFAOYSA-N 1 2 204.277 1.354 20 30 BDEDLO C=CC[N@@H+](CCC#N)CCc1cn[nH]c1 ZINC000298071004 135197385 /nfs/dbraw/zinc/19/73/85/135197385.db2.gz LBUUNNWFUDSXBU-UHFFFAOYSA-N 1 2 204.277 1.354 20 30 BDEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCOC2)c1O ZINC000298412579 135199220 /nfs/dbraw/zinc/19/92/20/135199220.db2.gz MFGAJZQIXFIHJZ-CEITULEQSA-N 1 2 235.283 1.856 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299154716 135202090 /nfs/dbraw/zinc/20/20/90/135202090.db2.gz HPFSOVOGHWCROM-OLZOCXBDSA-N 1 2 249.358 1.667 20 30 BDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299154716 135202091 /nfs/dbraw/zinc/20/20/91/135202091.db2.gz HPFSOVOGHWCROM-OLZOCXBDSA-N 1 2 249.358 1.667 20 30 BDEDLO CC#CC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000366718769 135233141 /nfs/dbraw/zinc/23/31/41/135233141.db2.gz GLXZSHPDYQGQJA-LBPRGKRZSA-N 1 2 211.305 1.136 20 30 BDEDLO CC#CC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000366718769 135233142 /nfs/dbraw/zinc/23/31/42/135233142.db2.gz GLXZSHPDYQGQJA-LBPRGKRZSA-N 1 2 211.305 1.136 20 30 BDEDLO C=CCN(Cc1[nH+]cc(C)n1C)C1CC1 ZINC000342780806 135317844 /nfs/dbraw/zinc/31/78/44/135317844.db2.gz DEAOMXFYGKDOKD-UHFFFAOYSA-N 1 2 205.305 1.879 20 30 BDEDLO C=CC[N@@H+](Cc1ncc(C)n1C)C1CC1 ZINC000342780806 135317845 /nfs/dbraw/zinc/31/78/45/135317845.db2.gz DEAOMXFYGKDOKD-UHFFFAOYSA-N 1 2 205.305 1.879 20 30 BDEDLO C=CC[N@H+](Cc1ncc(C)n1C)C1CC1 ZINC000342780806 135317846 /nfs/dbraw/zinc/31/78/46/135317846.db2.gz DEAOMXFYGKDOKD-UHFFFAOYSA-N 1 2 205.305 1.879 20 30 BDEDLO C[C@H]([NH2+]CCC#N)c1nnc2ccccn21 ZINC000267464256 135364187 /nfs/dbraw/zinc/36/41/87/135364187.db2.gz RORKRFRPDOPWJD-VIFPVBQESA-N 1 2 215.260 1.294 20 30 BDEDLO C=C(C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334415756 135394938 /nfs/dbraw/zinc/39/49/38/135394938.db2.gz XDOJHXZMOYKVPY-NSHDSACASA-N 1 2 233.315 1.480 20 30 BDEDLO Cc1ccc(NC(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC000094666169 135616850 /nfs/dbraw/zinc/61/68/50/135616850.db2.gz JFZYFXMLUYFCEA-SSDOTTSWSA-N 1 2 203.245 1.797 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335351456 136069094 /nfs/dbraw/zinc/06/90/94/136069094.db2.gz VMCPLMIRXFSZEN-GHMZBOCLSA-N 1 2 246.314 1.206 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537720 397930495 /nfs/dbraw/zinc/93/04/95/397930495.db2.gz PTVCTHKSDYZLCH-QWRGUYRKSA-N 1 2 249.314 1.757 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649537720 397930501 /nfs/dbraw/zinc/93/05/01/397930501.db2.gz PTVCTHKSDYZLCH-QWRGUYRKSA-N 1 2 249.314 1.757 20 30 BDEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncnn1CCF ZINC000440529045 397931553 /nfs/dbraw/zinc/93/15/53/397931553.db2.gz GKWUVVANLOJYJA-NSHDSACASA-N 1 2 238.310 1.788 20 30 BDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncnn1CCF ZINC000440529045 397931559 /nfs/dbraw/zinc/93/15/59/397931559.db2.gz GKWUVVANLOJYJA-NSHDSACASA-N 1 2 238.310 1.788 20 30 BDEDLO C=CCC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000380085429 397955603 /nfs/dbraw/zinc/95/56/03/397955603.db2.gz FOGAPSARLKPRMY-UHFFFAOYSA-N 1 2 221.308 1.029 20 30 BDEDLO C=CCC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000380085429 397955607 /nfs/dbraw/zinc/95/56/07/397955607.db2.gz FOGAPSARLKPRMY-UHFFFAOYSA-N 1 2 221.308 1.029 20 30 BDEDLO C#CCN(CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000490605606 398026356 /nfs/dbraw/zinc/02/63/56/398026356.db2.gz RRWYPECLOYTWBQ-UHFFFAOYSA-N 1 2 227.267 1.430 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491119150 398032392 /nfs/dbraw/zinc/03/23/92/398032392.db2.gz HKDXXQZAKVHKBY-UHFFFAOYSA-N 1 2 234.255 1.756 20 30 BDEDLO C#CC[N@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491119150 398032395 /nfs/dbraw/zinc/03/23/95/398032395.db2.gz HKDXXQZAKVHKBY-UHFFFAOYSA-N 1 2 234.255 1.756 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000491408193 398040783 /nfs/dbraw/zinc/04/07/83/398040783.db2.gz UKPHLVQPUBMRQZ-LBPRGKRZSA-N 1 2 220.316 1.650 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000491408193 398040786 /nfs/dbraw/zinc/04/07/86/398040786.db2.gz UKPHLVQPUBMRQZ-LBPRGKRZSA-N 1 2 220.316 1.650 20 30 BDEDLO C#C[C@H](C)[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000491715253 398062972 /nfs/dbraw/zinc/06/29/72/398062972.db2.gz PCIYHSKSBOTLKF-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000491715253 398062976 /nfs/dbraw/zinc/06/29/76/398062976.db2.gz PCIYHSKSBOTLKF-LBPRGKRZSA-N 1 2 240.310 1.721 20 30 BDEDLO C#CC[N@@H+](C)Cc1csc(C(=O)OC)c1 ZINC000491669816 398057236 /nfs/dbraw/zinc/05/72/36/398057236.db2.gz UWRDGGDQSSTZRU-UHFFFAOYSA-N 1 2 223.297 1.600 20 30 BDEDLO C#CC[N@H+](C)Cc1csc(C(=O)OC)c1 ZINC000491669816 398057241 /nfs/dbraw/zinc/05/72/41/398057241.db2.gz UWRDGGDQSSTZRU-UHFFFAOYSA-N 1 2 223.297 1.600 20 30 BDEDLO CC[C@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191254189 398102574 /nfs/dbraw/zinc/10/25/74/398102574.db2.gz QEJMGIZNJQNSPY-LBPRGKRZSA-N 1 2 233.315 1.508 20 30 BDEDLO CC[C@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191254189 398102576 /nfs/dbraw/zinc/10/25/76/398102576.db2.gz QEJMGIZNJQNSPY-LBPRGKRZSA-N 1 2 233.315 1.508 20 30 BDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000192236057 398107127 /nfs/dbraw/zinc/10/71/27/398107127.db2.gz ARFLKLBTRWMYLR-UHFFFAOYSA-N 1 2 227.267 1.062 20 30 BDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000192236057 398107131 /nfs/dbraw/zinc/10/71/31/398107131.db2.gz ARFLKLBTRWMYLR-UHFFFAOYSA-N 1 2 227.267 1.062 20 30 BDEDLO C[C@@H](CNc1cccc(C#N)n1)Cn1cc[nH+]c1 ZINC000270014239 398130879 /nfs/dbraw/zinc/13/08/79/398130879.db2.gz BQCJFOGEEHIYFI-NSHDSACASA-N 1 2 241.298 1.898 20 30 BDEDLO C#CCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000277079665 166119902 /nfs/dbraw/zinc/11/99/02/166119902.db2.gz MHXTZRMJNOBOGJ-LLVKDONJSA-N 1 2 219.288 1.191 20 30 BDEDLO C#CCCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000271336424 166123087 /nfs/dbraw/zinc/12/30/87/166123087.db2.gz BNICZIXYDIZDBF-GFCCVEGCSA-N 1 2 233.315 1.581 20 30 BDEDLO C=CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000665944431 487615179 /nfs/dbraw/zinc/61/51/79/487615179.db2.gz OVESKAMKJMGIAY-UHFFFAOYSA-N 1 2 222.292 1.138 20 30 BDEDLO C=CC[N@H+](Cc1cc[nH]n1)[C@@H](C)COC ZINC000661241393 410401787 /nfs/dbraw/zinc/40/17/87/410401787.db2.gz XIXWHWYDANRHFE-JTQLQIEISA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@@H+](Cc1cc[nH]n1)[C@@H](C)COC ZINC000661241393 410401792 /nfs/dbraw/zinc/40/17/92/410401792.db2.gz XIXWHWYDANRHFE-JTQLQIEISA-N 1 2 209.293 1.433 20 30 BDEDLO C=CC[N@H+](Cc1nnc(C)[nH]1)[C@@H](C)COC ZINC000661241329 410402658 /nfs/dbraw/zinc/40/26/58/410402658.db2.gz VVMMKQPNVNRNQT-VIFPVBQESA-N 1 2 224.308 1.136 20 30 BDEDLO C=CC[N@@H+](Cc1nnc(C)[nH]1)[C@@H](C)COC ZINC000661241329 410402661 /nfs/dbraw/zinc/40/26/61/410402661.db2.gz VVMMKQPNVNRNQT-VIFPVBQESA-N 1 2 224.308 1.136 20 30 BDEDLO C#CC[N@@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000192225266 166159792 /nfs/dbraw/zinc/15/97/92/166159792.db2.gz YIWJPEAAPRCAJU-SNVBAGLBSA-N 1 2 242.282 1.758 20 30 BDEDLO C#CC[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000192225266 166159794 /nfs/dbraw/zinc/15/97/94/166159794.db2.gz YIWJPEAAPRCAJU-SNVBAGLBSA-N 1 2 242.282 1.758 20 30 BDEDLO C=CCCCNc1[nH+]cnc2c1cnn2C ZINC000279523503 166244216 /nfs/dbraw/zinc/24/42/16/166244216.db2.gz QYPBHQDLBYVNSA-UHFFFAOYSA-N 1 2 217.276 1.741 20 30 BDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000271046048 166297393 /nfs/dbraw/zinc/29/73/93/166297393.db2.gz VOUVFKUHOZPRRF-LLVKDONJSA-N 1 2 223.320 1.179 20 30 BDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000271046048 166297396 /nfs/dbraw/zinc/29/73/96/166297396.db2.gz VOUVFKUHOZPRRF-LLVKDONJSA-N 1 2 223.320 1.179 20 30 BDEDLO C=CC[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000270526594 166322840 /nfs/dbraw/zinc/32/28/40/166322840.db2.gz NSJRSDIRDXBEJI-UHFFFAOYSA-N 1 2 220.320 1.622 20 30 BDEDLO C=CC[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000270526594 166322843 /nfs/dbraw/zinc/32/28/43/166322843.db2.gz NSJRSDIRDXBEJI-UHFFFAOYSA-N 1 2 220.320 1.622 20 30 BDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)OCC ZINC000272218916 166344137 /nfs/dbraw/zinc/34/41/37/166344137.db2.gz BPKJSCCIEDNITC-UHFFFAOYSA-N 1 2 237.299 1.873 20 30 BDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)OCC ZINC000272218916 166344139 /nfs/dbraw/zinc/34/41/39/166344139.db2.gz BPKJSCCIEDNITC-UHFFFAOYSA-N 1 2 237.299 1.873 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000177747001 166354671 /nfs/dbraw/zinc/35/46/71/166354671.db2.gz DRWPZNBJHWZGRV-UHFFFAOYSA-N 1 2 246.310 1.336 20 30 BDEDLO C=CC[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000079496523 166357222 /nfs/dbraw/zinc/35/72/22/166357222.db2.gz KBLKLKWXFTYELH-SNVBAGLBSA-N 1 2 225.361 1.281 20 30 BDEDLO N#Cc1csc(C[NH+]2CCC(CO)CC2)n1 ZINC000356058860 411162685 /nfs/dbraw/zinc/16/26/85/411162685.db2.gz GJCJXERVQUDHLM-UHFFFAOYSA-N 1 2 237.328 1.219 20 30 BDEDLO C=CCCn1cc(C[N@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000653704750 411195836 /nfs/dbraw/zinc/19/58/36/411195836.db2.gz FTZBSPRAMQDESK-QWRGUYRKSA-N 1 2 220.320 1.694 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000653704750 411195839 /nfs/dbraw/zinc/19/58/39/411195839.db2.gz FTZBSPRAMQDESK-QWRGUYRKSA-N 1 2 220.320 1.694 20 30 BDEDLO C=C(CC)CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000656251607 411217861 /nfs/dbraw/zinc/21/78/61/411217861.db2.gz YKPYCJVNZUCGBA-UHFFFAOYSA-N 1 2 248.330 1.683 20 30 BDEDLO CC(C)(C#N)CNC(=O)NCCCn1cc[nH+]c1 ZINC000611613824 411224539 /nfs/dbraw/zinc/22/45/39/411224539.db2.gz WCKDPKKBBQFABX-UHFFFAOYSA-N 1 2 249.318 1.122 20 30 BDEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000656432051 411249899 /nfs/dbraw/zinc/24/98/99/411249899.db2.gz WQMVCLKKPGRZLQ-UHFFFAOYSA-N 1 2 240.310 1.439 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000662168784 411371830 /nfs/dbraw/zinc/37/18/30/411371830.db2.gz UTHYLPCEIWHWPT-SNVBAGLBSA-N 1 2 248.330 1.127 20 30 BDEDLO C=CCCn1cc(C[NH2+]Cc2c[nH]nc2C)nn1 ZINC000657309977 411459328 /nfs/dbraw/zinc/45/93/28/411459328.db2.gz VBNPMEPKOJEEEU-UHFFFAOYSA-N 1 2 246.318 1.176 20 30 BDEDLO C=CCCn1cc(C[N@H+]2CC=CCC2)nn1 ZINC000653610150 411439784 /nfs/dbraw/zinc/43/97/84/411439784.db2.gz ZFWIRVMDQJIZMS-UHFFFAOYSA-N 1 2 218.304 1.616 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2CC=CCC2)nn1 ZINC000653610150 411439785 /nfs/dbraw/zinc/43/97/85/411439785.db2.gz ZFWIRVMDQJIZMS-UHFFFAOYSA-N 1 2 218.304 1.616 20 30 BDEDLO C=CCCn1cc(C[NH2+]Cc2cnc(C)o2)nn1 ZINC000657491735 411532978 /nfs/dbraw/zinc/53/29/78/411532978.db2.gz JOPKFPQUZVMOQD-UHFFFAOYSA-N 1 2 247.302 1.440 20 30 BDEDLO CCOC(=O)N1CC[NH+](CCCC#N)CC1 ZINC000052872420 170239774 /nfs/dbraw/zinc/23/97/74/170239774.db2.gz AAVCEGPUGMZGHD-UHFFFAOYSA-N 1 2 225.292 1.064 20 30 BDEDLO C=CC[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660680145 411616939 /nfs/dbraw/zinc/61/69/39/411616939.db2.gz BXIZZPRWDRNWBC-NXEZZACHSA-N 1 2 236.319 1.745 20 30 BDEDLO C=CCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000661282392 411747790 /nfs/dbraw/zinc/74/77/90/411747790.db2.gz WLLNTVOARHPCLA-ZJUUUORDSA-N 1 2 234.303 1.764 20 30 BDEDLO C=CC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000661384936 411766162 /nfs/dbraw/zinc/76/61/62/411766162.db2.gz MEPHHWRFMZVRGD-NSHDSACASA-N 1 2 220.320 1.635 20 30 BDEDLO C=CC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000661384936 411766167 /nfs/dbraw/zinc/76/61/67/411766167.db2.gz MEPHHWRFMZVRGD-NSHDSACASA-N 1 2 220.320 1.635 20 30 BDEDLO CC[N@H+](CC1CCC(=O)CC1)[C@@H](C)C#N ZINC000661984860 411935611 /nfs/dbraw/zinc/93/56/11/411935611.db2.gz YYBOOCUMPOOPSA-JTQLQIEISA-N 1 2 208.305 1.980 20 30 BDEDLO CC[N@@H+](CC1CCC(=O)CC1)[C@@H](C)C#N ZINC000661984860 411935614 /nfs/dbraw/zinc/93/56/14/411935614.db2.gz YYBOOCUMPOOPSA-JTQLQIEISA-N 1 2 208.305 1.980 20 30 BDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000042324642 176552371 /nfs/dbraw/zinc/55/23/71/176552371.db2.gz OVBBUFOJTITBFV-MNOVXSKESA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000042324642 176552372 /nfs/dbraw/zinc/55/23/72/176552372.db2.gz OVBBUFOJTITBFV-MNOVXSKESA-N 1 2 237.347 1.525 20 30 BDEDLO C[C@H](CC#N)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492907364 226081269 /nfs/dbraw/zinc/08/12/69/226081269.db2.gz CTLXHQJBXAWAJC-ZBJFTSOASA-N 1 2 218.260 1.183 20 30 BDEDLO N#CCN1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494956118 226272564 /nfs/dbraw/zinc/27/25/64/226272564.db2.gz SYJBKCMTKKMSEA-OWOJBTEDSA-N 1 2 242.326 1.236 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790664 226289251 /nfs/dbraw/zinc/28/92/51/226289251.db2.gz AUHQXAMXQYQLBS-MWLCHTKSSA-N 1 2 237.303 1.061 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@H]1CN(C)C(=O)O1)C1CC1 ZINC000495790664 226289252 /nfs/dbraw/zinc/28/92/52/226289252.db2.gz AUHQXAMXQYQLBS-MWLCHTKSSA-N 1 2 237.303 1.061 20 30 BDEDLO CC[C@@H](O)CCCNc1cc(C)[nH+]cc1C#N ZINC000398987634 262773383 /nfs/dbraw/zinc/77/33/83/262773383.db2.gz IUWKRDXCCNPPDV-GFCCVEGCSA-N 1 2 233.315 1.647 20 30 BDEDLO CCCNC(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000399343562 262782474 /nfs/dbraw/zinc/78/24/74/262782474.db2.gz AIOCBFYFJKMCFF-UHFFFAOYSA-N 1 2 246.314 1.012 20 30 BDEDLO Cc1cc(NC[C@@H]2CC[C@H](C)O2)c(C#N)c[nH+]1 ZINC000399462281 267300582 /nfs/dbraw/zinc/30/05/82/267300582.db2.gz VROPQFFHJOPURD-JQWIXIFHSA-N 1 2 231.299 1.663 20 30 BDEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000681168680 487735527 /nfs/dbraw/zinc/73/55/27/487735527.db2.gz DWSZWWAMZDTILM-ZIAGYGMSSA-N 1 2 239.359 1.914 20 30 BDEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000681168680 487735532 /nfs/dbraw/zinc/73/55/32/487735532.db2.gz DWSZWWAMZDTILM-ZIAGYGMSSA-N 1 2 239.359 1.914 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666259686 487773418 /nfs/dbraw/zinc/77/34/18/487773418.db2.gz NMTHZPFOFYYLQG-NSHDSACASA-N 1 2 247.342 1.939 20 30 BDEDLO C=C(C)CN(CC)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666259686 487773421 /nfs/dbraw/zinc/77/34/21/487773421.db2.gz NMTHZPFOFYYLQG-NSHDSACASA-N 1 2 247.342 1.939 20 30 BDEDLO C=C[C@@](C)(O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668090731 487834440 /nfs/dbraw/zinc/83/44/40/487834440.db2.gz REMMTBDNGSWSNX-ZWNOBZJWSA-N 1 2 249.314 1.053 20 30 BDEDLO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC#N ZINC000564445254 322947041 /nfs/dbraw/zinc/94/70/41/322947041.db2.gz AVOFMVLBXZAZLU-SNVBAGLBSA-N 1 2 204.277 1.301 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1noc(C)n1 ZINC000852103723 588663630 /nfs/dbraw/zinc/66/36/30/588663630.db2.gz POOYAVPATQNSQN-KCJUWKMLSA-N 1 2 207.277 1.831 20 30 BDEDLO COCC[C@H](C)[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615636862 487955527 /nfs/dbraw/zinc/95/55/27/487955527.db2.gz CIIFRGOJOXETEF-UWVGGRQHSA-N 1 2 200.257 1.349 20 30 BDEDLO COCC[C@H](C)[N@H+]1CC[C@](F)(C#N)C1 ZINC000615636862 487955530 /nfs/dbraw/zinc/95/55/30/487955530.db2.gz CIIFRGOJOXETEF-UWVGGRQHSA-N 1 2 200.257 1.349 20 30 BDEDLO C[C@H]1C[C@@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000570927376 323074483 /nfs/dbraw/zinc/07/44/83/323074483.db2.gz MMAQZURMNISSLW-QWRGUYRKSA-N 1 2 208.305 1.647 20 30 BDEDLO CS[C@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220389 323104611 /nfs/dbraw/zinc/10/46/11/323104611.db2.gz MHKHKHGSGDUZII-MWLCHTKSSA-N 1 2 243.376 1.088 20 30 BDEDLO Cc1noc([C@H](C)[N@H+](C)CCOCCC#N)n1 ZINC000563358200 323119554 /nfs/dbraw/zinc/11/95/54/323119554.db2.gz OIFCRMQUEBJQHH-VIFPVBQESA-N 1 2 238.291 1.301 20 30 BDEDLO Cc1noc([C@H](C)[N@@H+](C)CCOCCC#N)n1 ZINC000563358200 323119555 /nfs/dbraw/zinc/11/95/55/323119555.db2.gz OIFCRMQUEBJQHH-VIFPVBQESA-N 1 2 238.291 1.301 20 30 BDEDLO C=CC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000571179737 323137779 /nfs/dbraw/zinc/13/77/79/323137779.db2.gz VZNLMIYCTBRZMS-ZDUSSCGKSA-N 1 2 230.311 1.654 20 30 BDEDLO C=CC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000571179737 323137780 /nfs/dbraw/zinc/13/77/80/323137780.db2.gz VZNLMIYCTBRZMS-ZDUSSCGKSA-N 1 2 230.311 1.654 20 30 BDEDLO C#CC[NH+](CC#C)Cc1c(C)nc2ccccn21 ZINC000160907704 323138896 /nfs/dbraw/zinc/13/88/96/323138896.db2.gz LIPYHOGQMZBIPO-UHFFFAOYSA-N 1 2 237.306 1.711 20 30 BDEDLO Cc1cccnc1C[NH2+]C[C@H](C#N)CCC#N ZINC000571307821 323141045 /nfs/dbraw/zinc/14/10/45/323141045.db2.gz XADOPKBJWJBVBD-LBPRGKRZSA-N 1 2 228.299 1.923 20 30 BDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000563725761 323175979 /nfs/dbraw/zinc/17/59/79/323175979.db2.gz NFGHHYNERNZAOS-YPMHNXCESA-N 1 2 248.330 1.077 20 30 BDEDLO C=CCCC[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653558255 487964423 /nfs/dbraw/zinc/96/44/23/487964423.db2.gz YXHPNOGHOKUDBP-UHFFFAOYSA-N 1 2 237.351 1.826 20 30 BDEDLO C=CCCC[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653558255 487964424 /nfs/dbraw/zinc/96/44/24/487964424.db2.gz YXHPNOGHOKUDBP-UHFFFAOYSA-N 1 2 237.351 1.826 20 30 BDEDLO CCC[N@@H+](CC#N)CCC(=O)N(C)CC ZINC000130462911 325053984 /nfs/dbraw/zinc/05/39/84/325053984.db2.gz IUBUSGUGKYYOLG-UHFFFAOYSA-N 1 2 211.309 1.090 20 30 BDEDLO CCC[N@H+](CC#N)CCC(=O)N(C)CC ZINC000130462911 325053986 /nfs/dbraw/zinc/05/39/86/325053986.db2.gz IUBUSGUGKYYOLG-UHFFFAOYSA-N 1 2 211.309 1.090 20 30 BDEDLO CC(C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000542830450 325055806 /nfs/dbraw/zinc/05/58/06/325055806.db2.gz USNJRSSAEWBYAK-UHFFFAOYSA-N 1 2 228.255 1.366 20 30 BDEDLO C=CCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000547994614 325419350 /nfs/dbraw/zinc/41/93/50/325419350.db2.gz INOGJDLKYGAGGM-UHFFFAOYSA-N 1 2 219.288 1.770 20 30 BDEDLO C[C@@H]1C[C@@H](Nc2ccc(C#N)cn2)c2[nH+]ccn21 ZINC000556235503 325786541 /nfs/dbraw/zinc/78/65/41/325786541.db2.gz KWKHAJHNNPLJLG-MWLCHTKSSA-N 1 2 239.282 1.690 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCCC1 ZINC000566537948 326061973 /nfs/dbraw/zinc/06/19/73/326061973.db2.gz YXTKEVQSUSFTGO-CYBMUJFWSA-N 1 2 237.347 1.527 20 30 BDEDLO C[C@H](CC#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000566630104 326070221 /nfs/dbraw/zinc/07/02/21/326070221.db2.gz YYYXSTZPTHMMAP-RKDXNWHRSA-N 1 2 220.276 1.007 20 30 BDEDLO C[C@H](CC#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000566630104 326070224 /nfs/dbraw/zinc/07/02/24/326070224.db2.gz YYYXSTZPTHMMAP-RKDXNWHRSA-N 1 2 220.276 1.007 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccnc(C#N)n1 ZINC000567520998 326209457 /nfs/dbraw/zinc/20/94/57/326209457.db2.gz MJDPDQSVOOKLMS-SECBINFHSA-N 1 2 242.286 1.160 20 30 BDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC12CCCC2 ZINC000567995353 326294149 /nfs/dbraw/zinc/29/41/49/326294149.db2.gz IFATUTVSANUBAR-YPMHNXCESA-N 1 2 249.358 1.527 20 30 BDEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000568906491 326381847 /nfs/dbraw/zinc/38/18/47/326381847.db2.gz RRMVXFLUZVMEFZ-UHFFFAOYSA-N 1 2 228.246 1.607 20 30 BDEDLO C=C(C)C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000568906491 326381849 /nfs/dbraw/zinc/38/18/49/326381849.db2.gz RRMVXFLUZVMEFZ-UHFFFAOYSA-N 1 2 228.246 1.607 20 30 BDEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)n1C ZINC000602709437 487997571 /nfs/dbraw/zinc/99/75/71/487997571.db2.gz RSUHVIXLTPEROW-UHFFFAOYSA-N 1 2 247.298 1.157 20 30 BDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)NCC)CC1 ZINC000677475524 488045774 /nfs/dbraw/zinc/04/57/74/488045774.db2.gz AFMWONVQBQHVOQ-LBPRGKRZSA-N 1 2 237.347 1.135 20 30 BDEDLO C[N@H+](CC#Cc1ccccc1)Cc1cn[nH]c1 ZINC000683018421 488094352 /nfs/dbraw/zinc/09/43/52/488094352.db2.gz YSVOOUVCHDSSIP-UHFFFAOYSA-N 1 2 225.295 1.893 20 30 BDEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cn[nH]c1 ZINC000683018421 488094355 /nfs/dbraw/zinc/09/43/55/488094355.db2.gz YSVOOUVCHDSSIP-UHFFFAOYSA-N 1 2 225.295 1.893 20 30 BDEDLO C=CCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651934821 487870201 /nfs/dbraw/zinc/87/02/01/487870201.db2.gz RWRNILUUVOAEMU-UHFFFAOYSA-N 1 2 247.342 1.844 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153325 488242150 /nfs/dbraw/zinc/24/21/50/488242150.db2.gz VFOOSEDJKRJMFR-FZMZJTMJSA-N 1 2 247.342 1.916 20 30 BDEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343316860 491121372 /nfs/dbraw/zinc/12/13/72/491121372.db2.gz UDBODFYCWSHVHV-GFCCVEGCSA-N 1 2 249.358 1.623 20 30 BDEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343316860 491121373 /nfs/dbraw/zinc/12/13/73/491121373.db2.gz UDBODFYCWSHVHV-GFCCVEGCSA-N 1 2 249.358 1.623 20 30 BDEDLO O=C1OCCN1CCC/[NH+]=C/c1ccccc1O ZINC000077165996 491125726 /nfs/dbraw/zinc/12/57/26/491125726.db2.gz IQLSILZIXHAOHS-GXDHUFHOSA-N 1 2 248.282 1.653 20 30 BDEDLO COC(=O)NCC/[NH+]=C/c1ccccc1O ZINC000496275371 534053127 /nfs/dbraw/zinc/05/31/27/534053127.db2.gz ONVRKYIPUHNGQP-XYOKQWHBSA-N 1 2 222.244 1.167 20 30 BDEDLO C=C(C)[C@H](CC(=O)NCc1c[nH+]c[nH]1)OCC ZINC000339223436 534332295 /nfs/dbraw/zinc/33/22/95/534332295.db2.gz QFPUIPJTSDRGIO-NSHDSACASA-N 1 2 237.303 1.397 20 30 BDEDLO C=C(C)[C@H](CC(=O)NCc1c[nH]c[nH+]1)OCC ZINC000339223436 534332305 /nfs/dbraw/zinc/33/23/05/534332305.db2.gz QFPUIPJTSDRGIO-NSHDSACASA-N 1 2 237.303 1.397 20 30 BDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000298706871 536300132 /nfs/dbraw/zinc/30/01/32/536300132.db2.gz XVLIFEVJNBJYKS-LBPRGKRZSA-N 1 2 234.299 1.272 20 30 BDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000298706871 536300136 /nfs/dbraw/zinc/30/01/36/536300136.db2.gz XVLIFEVJNBJYKS-LBPRGKRZSA-N 1 2 234.299 1.272 20 30 BDEDLO C=CC[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261556511 534344188 /nfs/dbraw/zinc/34/41/88/534344188.db2.gz VZRUYGMIXCXFCV-JGVFFNPUSA-N 1 2 218.247 1.064 20 30 BDEDLO C=CCC(F)(F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000293665409 534577569 /nfs/dbraw/zinc/57/75/69/534577569.db2.gz ZARWGDVXIFQXRY-SECBINFHSA-N 1 2 243.257 1.599 20 30 BDEDLO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)C#N)CC1 ZINC001172800414 974953972 /nfs/dbraw/zinc/95/39/72/974953972.db2.gz RXZIFFDHAHRXRY-MXWKQRLJSA-N 1 2 224.304 1.610 20 30 BDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000353594989 534612267 /nfs/dbraw/zinc/61/22/67/534612267.db2.gz GUMMUAYEJUOOFP-RISCZKNCSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000309360373 534684675 /nfs/dbraw/zinc/68/46/75/534684675.db2.gz AIURDFHRFDEONS-SNVBAGLBSA-N 1 2 221.304 1.867 20 30 BDEDLO C=CCCC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000362319275 534710337 /nfs/dbraw/zinc/71/03/37/534710337.db2.gz LJZQQLABTQARKS-UHFFFAOYSA-N 1 2 237.351 1.826 20 30 BDEDLO C=CCCC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000362319275 534710342 /nfs/dbraw/zinc/71/03/42/534710342.db2.gz LJZQQLABTQARKS-UHFFFAOYSA-N 1 2 237.351 1.826 20 30 BDEDLO C=CCC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000305737212 534806408 /nfs/dbraw/zinc/80/64/08/534806408.db2.gz QDCZKAYVBYPJOR-NSHDSACASA-N 1 2 241.331 1.389 20 30 BDEDLO C=CCN(CC=C)Cc1[nH+]cc(C)n1C ZINC000342790546 534830101 /nfs/dbraw/zinc/83/01/01/534830101.db2.gz AFYGJONMPBHAGM-UHFFFAOYSA-N 1 2 205.305 1.903 20 30 BDEDLO CCn1c[nH+]cc1C=NNC[C@H]1CCSC1 ZINC000841639925 582887671 /nfs/dbraw/zinc/88/76/71/582887671.db2.gz WEIXGPNXXCBKCT-SNVBAGLBSA-N 1 2 238.360 1.580 20 30 BDEDLO C=CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119055433 534860643 /nfs/dbraw/zinc/86/06/43/534860643.db2.gz WLBAMZJFCUZBRN-RYUDHWBXSA-N 1 2 248.330 1.662 20 30 BDEDLO C=CC[C@@H](CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858247 527034254 /nfs/dbraw/zinc/03/42/54/527034254.db2.gz FPBIZHFAUZUIFB-JYESYGNLSA-N 1 2 219.288 1.894 20 30 BDEDLO C=C[C@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000494198367 527599427 /nfs/dbraw/zinc/59/94/27/527599427.db2.gz MXYIQXZVLLWSKZ-LBPRGKRZSA-N 1 2 248.330 1.633 20 30 BDEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC#N ZINC000495679384 528187450 /nfs/dbraw/zinc/18/74/50/528187450.db2.gz JHHVNWXRIJWKGL-LLVKDONJSA-N 1 2 239.319 1.501 20 30 BDEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CCC#N ZINC000495679384 528187456 /nfs/dbraw/zinc/18/74/56/528187456.db2.gz JHHVNWXRIJWKGL-LLVKDONJSA-N 1 2 239.319 1.501 20 30 BDEDLO CC1(C)C[C@]1(C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC000292592773 534937689 /nfs/dbraw/zinc/93/76/89/534937689.db2.gz WDFJOMOWQILRFR-GFCCVEGCSA-N 1 2 232.287 1.151 20 30 BDEDLO CC(C)n1cnnc1C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000339211627 535109891 /nfs/dbraw/zinc/10/98/91/535109891.db2.gz DYEHDZYYUAPQGC-NWDGAFQWSA-N 1 2 247.346 1.983 20 30 BDEDLO CC(C)n1cnnc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000339211627 535109897 /nfs/dbraw/zinc/10/98/97/535109897.db2.gz DYEHDZYYUAPQGC-NWDGAFQWSA-N 1 2 247.346 1.983 20 30 BDEDLO CCOC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000078003413 535696444 /nfs/dbraw/zinc/69/64/44/535696444.db2.gz KWRQKYBWPIOUPU-GFCCVEGCSA-N 1 2 226.320 1.152 20 30 BDEDLO CCOC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000078003413 535696448 /nfs/dbraw/zinc/69/64/48/535696448.db2.gz KWRQKYBWPIOUPU-GFCCVEGCSA-N 1 2 226.320 1.152 20 30 BDEDLO CC[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000177027267 535812373 /nfs/dbraw/zinc/81/23/73/535812373.db2.gz KQOPGXXERFIICJ-LLVKDONJSA-N 1 2 222.288 1.766 20 30 BDEDLO CC[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000177027267 535812374 /nfs/dbraw/zinc/81/23/74/535812374.db2.gz KQOPGXXERFIICJ-LLVKDONJSA-N 1 2 222.288 1.766 20 30 BDEDLO CC[C@H](CC#N)[NH2+]Cc1ccnc(OC)n1 ZINC000295457222 536057048 /nfs/dbraw/zinc/05/70/48/536057048.db2.gz QPGOJWXPHDGAJV-SECBINFHSA-N 1 2 220.276 1.267 20 30 BDEDLO CCc1cc(N)nc(S[C@H](C)C#N)[nH+]1 ZINC000279027196 536143046 /nfs/dbraw/zinc/14/30/46/536143046.db2.gz CTXINTOYQRGTMF-ZCFIWIBFSA-N 1 2 208.290 1.625 20 30 BDEDLO C#CCOCCSc1nc(N)cc(C)[nH+]1 ZINC000853015018 588715657 /nfs/dbraw/zinc/71/56/57/588715657.db2.gz FQZZDTVRYVQHBQ-UHFFFAOYSA-N 1 2 223.301 1.109 20 30 BDEDLO C=C(C)CNC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853045768 588717453 /nfs/dbraw/zinc/71/74/53/588717453.db2.gz XLFCGONIGAYKDY-SECBINFHSA-N 1 2 238.360 1.521 20 30 BDEDLO C(=NOCc1cccnc1)c1c[nH+]c2n1CCC2 ZINC000853322966 588732726 /nfs/dbraw/zinc/73/27/26/588732726.db2.gz JVJMSYKGATTWBV-UHFFFAOYSA-N 1 2 242.282 1.775 20 30 BDEDLO C[C@@H](CC#N)NN=Cc1c[nH+]c2n1CCC2 ZINC000853324095 588732901 /nfs/dbraw/zinc/73/29/01/588732901.db2.gz UQXZDUGXJIDGON-VIFPVBQESA-N 1 2 217.276 1.055 20 30 BDEDLO Fc1cccnc1N=NCc1c[nH+]c2n1CCC2 ZINC000853343334 588735561 /nfs/dbraw/zinc/73/55/61/588735561.db2.gz ADAGEYSOLUGHHN-UHFFFAOYSA-N 1 2 245.261 1.809 20 30 BDEDLO Cc1[nH+]cc(C=NNCCc2ccncc2)n1C ZINC000853342685 588735604 /nfs/dbraw/zinc/73/56/04/588735604.db2.gz ONZOSIPMOFCNDJ-UHFFFAOYSA-N 1 2 243.314 1.290 20 30 BDEDLO Fc1cnccc1N=NCc1c[nH+]c2n1CCC2 ZINC000853403405 588741472 /nfs/dbraw/zinc/74/14/72/588741472.db2.gz WUEVJFYVEHCPBA-UHFFFAOYSA-N 1 2 245.261 1.231 20 30 BDEDLO C#CCC[N@@H+](CCOC)CN1CCSC1=O ZINC000853619851 588750514 /nfs/dbraw/zinc/75/05/14/588750514.db2.gz LSPRWGHDQQQRIX-UHFFFAOYSA-N 1 2 242.344 1.084 20 30 BDEDLO C#CCC[N@H+](CCOC)CN1CCSC1=O ZINC000853619851 588750515 /nfs/dbraw/zinc/75/05/15/588750515.db2.gz LSPRWGHDQQQRIX-UHFFFAOYSA-N 1 2 242.344 1.084 20 30 BDEDLO C#CCOCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000853646242 588751799 /nfs/dbraw/zinc/75/17/99/588751799.db2.gz OWQGJIWDXBZZIF-UHFFFAOYSA-N 1 2 236.246 1.112 20 30 BDEDLO COC(OC)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000853680421 588755391 /nfs/dbraw/zinc/75/53/91/588755391.db2.gz DVLFVSITGGEONZ-VIFPVBQESA-N 1 2 235.287 1.103 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000853727762 588759482 /nfs/dbraw/zinc/75/94/82/588759482.db2.gz HHRRWYDMAXFLRY-VIFPVBQESA-N 1 2 248.710 1.433 20 30 BDEDLO C=C(Cl)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000853727761 588759502 /nfs/dbraw/zinc/75/95/02/588759502.db2.gz HHRRWYDMAXFLRY-SECBINFHSA-N 1 2 248.710 1.433 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)CCc1c[nH+]cn1C ZINC000854702644 588803609 /nfs/dbraw/zinc/80/36/09/588803609.db2.gz VMEQHGGSMLCTJL-ZDUSSCGKSA-N 1 2 233.315 1.271 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000854702036 588803655 /nfs/dbraw/zinc/80/36/55/588803655.db2.gz IUTICLGKMUSAAO-GFCCVEGCSA-N 1 2 219.288 1.260 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000854702036 588803656 /nfs/dbraw/zinc/80/36/56/588803656.db2.gz IUTICLGKMUSAAO-GFCCVEGCSA-N 1 2 219.288 1.260 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NCCCC)[nH+]c(N)n1 ZINC000804659947 582481280 /nfs/dbraw/zinc/48/12/80/582481280.db2.gz AUIRRJSKEPKSEV-JTQLQIEISA-N 1 2 247.346 1.729 20 30 BDEDLO C#C[C@H](C)N(C)c1cc(NCCCC)nc(N)[nH+]1 ZINC000804659947 582481281 /nfs/dbraw/zinc/48/12/81/582481281.db2.gz AUIRRJSKEPKSEV-JTQLQIEISA-N 1 2 247.346 1.729 20 30 BDEDLO Cc1[nH+]c2ccccn2c1CNC(=O)CC#N ZINC000890854184 582580983 /nfs/dbraw/zinc/58/09/83/582580983.db2.gz ZZKRCDMGVNQICH-UHFFFAOYSA-N 1 2 228.255 1.173 20 30 BDEDLO C=C[C@@H](C)ONC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000845619298 582618036 /nfs/dbraw/zinc/61/80/36/582618036.db2.gz VMSNTKKJOTXALP-BDAKNGLRSA-N 1 2 236.275 1.133 20 30 BDEDLO C=CC(C)(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000891266304 582645729 /nfs/dbraw/zinc/64/57/29/582645729.db2.gz KAZQCJKUVAHHRJ-JTQLQIEISA-N 1 2 233.315 1.526 20 30 BDEDLO C=C1CCC(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000891513955 582694625 /nfs/dbraw/zinc/69/46/25/582694625.db2.gz KMPPNTPEWGEZQJ-UHFFFAOYSA-N 1 2 247.342 1.825 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(C)nc1C1CC1 ZINC000891715866 582713203 /nfs/dbraw/zinc/71/32/03/582713203.db2.gz JISIMQVVSIIANH-JTQLQIEISA-N 1 2 232.331 1.889 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC000891715866 582713205 /nfs/dbraw/zinc/71/32/05/582713205.db2.gz JISIMQVVSIIANH-JTQLQIEISA-N 1 2 232.331 1.889 20 30 BDEDLO C=CC[N@@H+](CCC#CC)CC(=O)OCC ZINC000133200450 582741770 /nfs/dbraw/zinc/74/17/70/582741770.db2.gz IRTYCLKMUAVANR-UHFFFAOYSA-N 1 2 209.289 1.451 20 30 BDEDLO C=CC[N@H+](CCC#CC)CC(=O)OCC ZINC000133200450 582741771 /nfs/dbraw/zinc/74/17/71/582741771.db2.gz IRTYCLKMUAVANR-UHFFFAOYSA-N 1 2 209.289 1.451 20 30 BDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000725780392 582849369 /nfs/dbraw/zinc/84/93/69/582849369.db2.gz YDLGYZUOTCXLLB-VIFPVBQESA-N 1 2 239.348 1.294 20 30 BDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000725780392 582849370 /nfs/dbraw/zinc/84/93/70/582849370.db2.gz YDLGYZUOTCXLLB-VIFPVBQESA-N 1 2 239.348 1.294 20 30 BDEDLO CN(C)c1cc(NCCCCC#N)[nH+]cn1 ZINC000892326538 582849572 /nfs/dbraw/zinc/84/95/72/582849572.db2.gz BVUCOKGLXNBNHF-UHFFFAOYSA-N 1 2 219.292 1.648 20 30 BDEDLO CN(C)c1cc(NCCCCC#N)nc[nH+]1 ZINC000892326538 582849574 /nfs/dbraw/zinc/84/95/74/582849574.db2.gz BVUCOKGLXNBNHF-UHFFFAOYSA-N 1 2 219.292 1.648 20 30 BDEDLO C#CCC(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856282132 588867171 /nfs/dbraw/zinc/86/71/71/588867171.db2.gz UVNTXFRYOZDBQW-SNVBAGLBSA-N 1 2 233.315 1.647 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892891268 583006228 /nfs/dbraw/zinc/00/62/28/583006228.db2.gz HSUUPUJQGISKTN-NXEZZACHSA-N 1 2 236.319 1.646 20 30 BDEDLO C=C[C@@H](C)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892891268 583006230 /nfs/dbraw/zinc/00/62/30/583006230.db2.gz HSUUPUJQGISKTN-NXEZZACHSA-N 1 2 236.319 1.646 20 30 BDEDLO C[C@H](O)c1cccc(NCCCC#N)[nH+]1 ZINC000893126614 583053477 /nfs/dbraw/zinc/05/34/77/583053477.db2.gz ATRIQRCHNGSZSM-VIFPVBQESA-N 1 2 205.261 1.851 20 30 BDEDLO C[C@@]1(C#N)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893140799 583056576 /nfs/dbraw/zinc/05/65/76/583056576.db2.gz CNMIXIMORCGUAY-ZDUSSCGKSA-N 1 2 241.298 1.859 20 30 BDEDLO C#CCOCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893144722 583057096 /nfs/dbraw/zinc/05/70/96/583057096.db2.gz UMVKNFPWJWAOSG-SNVBAGLBSA-N 1 2 220.272 1.197 20 30 BDEDLO C#CCCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281816 583117919 /nfs/dbraw/zinc/11/79/19/583117919.db2.gz SAFDJOZIWNKZPF-LLVKDONJSA-N 1 2 233.315 1.791 20 30 BDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000893545231 583161157 /nfs/dbraw/zinc/16/11/57/583161157.db2.gz QLYCKRGSNLCMGF-QMMMGPOBSA-N 1 2 231.255 1.783 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nccn1C1CC1)[C@@H]1CCCO1 ZINC000893676368 583195452 /nfs/dbraw/zinc/19/54/52/583195452.db2.gz KGKOSHDVAJHMGU-STQMWFEESA-N 1 2 245.326 1.488 20 30 BDEDLO N#C[C@]1(F)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000893933692 583251429 /nfs/dbraw/zinc/25/14/29/583251429.db2.gz XIQRSKWVPICRCO-GFCCVEGCSA-N 1 2 234.278 1.656 20 30 BDEDLO C#CCN(CC#CC)Cc1c(C)cc[nH+]c1N ZINC000894033799 583278042 /nfs/dbraw/zinc/27/80/42/583278042.db2.gz JDIXEBNTRZTHQD-UHFFFAOYSA-N 1 2 227.311 1.431 20 30 BDEDLO C#CCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000857138789 588890436 /nfs/dbraw/zinc/89/04/36/588890436.db2.gz STOFPUNEVQLLEG-UHFFFAOYSA-N 1 2 219.288 1.217 20 30 BDEDLO N#CCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000894082775 583295552 /nfs/dbraw/zinc/29/55/52/583295552.db2.gz HWEGUXOJUKWGTG-UHFFFAOYSA-N 1 2 224.695 1.944 20 30 BDEDLO N#CC1(C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000894204012 583338466 /nfs/dbraw/zinc/33/84/66/583338466.db2.gz JNJBVKNHXNEKPK-UHFFFAOYSA-N 1 2 222.267 1.246 20 30 BDEDLO COc1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000894204752 583340847 /nfs/dbraw/zinc/34/08/47/583340847.db2.gz SGDLWEMFMLNRBB-UHFFFAOYSA-N 1 2 206.245 1.682 20 30 BDEDLO CC(N=Nc1cnccn1)c1ccc(N)[nH+]c1 ZINC000814797404 583370597 /nfs/dbraw/zinc/37/05/97/583370597.db2.gz MTXHMILQCUJIMY-UHFFFAOYSA-N 1 2 228.259 1.290 20 30 BDEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000857280681 588902538 /nfs/dbraw/zinc/90/25/38/588902538.db2.gz NJAXCZHCEKCVRW-QWRGUYRKSA-N 1 2 249.314 1.119 20 30 BDEDLO C#CCOCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000857281965 588902621 /nfs/dbraw/zinc/90/26/21/588902621.db2.gz YWNHVTUSDUSBCA-LLVKDONJSA-N 1 2 249.314 1.120 20 30 BDEDLO C#C[C@@H](CC)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894386533 583443381 /nfs/dbraw/zinc/44/33/81/583443381.db2.gz AQWVWNOHKNXGOB-VIFPVBQESA-N 1 2 221.329 1.917 20 30 BDEDLO C#C[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894426734 583456275 /nfs/dbraw/zinc/45/62/75/583456275.db2.gz CVGYCUHWNYHJEU-LLVKDONJSA-N 1 2 226.283 1.579 20 30 BDEDLO CC(C)c1c[nH]c(CNC[C@H](C)C#N)[nH+]1 ZINC000894452680 583463719 /nfs/dbraw/zinc/46/37/19/583463719.db2.gz JUIWWUHVLZIMDM-SECBINFHSA-N 1 2 206.293 1.782 20 30 BDEDLO C#CCC(CC#C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000857333979 588906225 /nfs/dbraw/zinc/90/62/25/588906225.db2.gz GDGCZMMMBVLQMV-NSHDSACASA-N 1 2 243.310 1.260 20 30 BDEDLO COC1(OC)CC(Nc2cc(C)[nH+]cc2C#N)C1 ZINC000895252785 583633420 /nfs/dbraw/zinc/63/34/20/583633420.db2.gz VCPXLASMKFZVSV-UHFFFAOYSA-N 1 2 247.298 1.247 20 30 BDEDLO Cc1ncoc1C[NH+]1CCN(CCC#N)CC1 ZINC000895459466 583677583 /nfs/dbraw/zinc/67/75/83/583677583.db2.gz FBPKVIJQLOAIEG-UHFFFAOYSA-N 1 2 234.303 1.014 20 30 BDEDLO C#CC1(F)CN(Cc2c(C)[nH+]c3ccccn32)C1 ZINC000895616476 583696724 /nfs/dbraw/zinc/69/67/24/583696724.db2.gz ZORMISVDJVDJJN-UHFFFAOYSA-N 1 2 243.285 1.800 20 30 BDEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](C)CCO)C(=O)OCC ZINC000895700593 583709777 /nfs/dbraw/zinc/70/97/77/583709777.db2.gz WBEOQIWQNDPHAR-VHSXEESVSA-N 1 2 249.738 1.421 20 30 BDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)o1 ZINC000857979699 588927678 /nfs/dbraw/zinc/92/76/78/588927678.db2.gz YZZJPNQIACHBBW-VIFPVBQESA-N 1 2 242.238 1.223 20 30 BDEDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C#N)C2)n1 ZINC000896505122 583807944 /nfs/dbraw/zinc/80/79/44/583807944.db2.gz XLPZXFGVSSYXJM-LLVKDONJSA-N 1 2 231.299 1.831 20 30 BDEDLO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C#N)C2)n1 ZINC000896505122 583807946 /nfs/dbraw/zinc/80/79/46/583807946.db2.gz XLPZXFGVSSYXJM-LLVKDONJSA-N 1 2 231.299 1.831 20 30 BDEDLO CCc1nc(NCc2nc(C#N)cs2)cc[nH+]1 ZINC000896924509 583857376 /nfs/dbraw/zinc/85/73/76/583857376.db2.gz BEZGDXPPXQGTGG-UHFFFAOYSA-N 1 2 245.311 1.979 20 30 BDEDLO CC#CC[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000897168984 583888337 /nfs/dbraw/zinc/88/83/37/583888337.db2.gz JSMGKJMMANWOAN-UHFFFAOYSA-N 1 2 249.383 1.665 20 30 BDEDLO CC#CC[N@@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000897168984 583888338 /nfs/dbraw/zinc/88/83/38/583888338.db2.gz JSMGKJMMANWOAN-UHFFFAOYSA-N 1 2 249.383 1.665 20 30 BDEDLO CC#CCN(C)Cc1c[nH+]c2n1CCC2 ZINC000897169322 583888615 /nfs/dbraw/zinc/88/86/15/583888615.db2.gz MXBTWMFMRSLVSH-UHFFFAOYSA-N 1 2 203.289 1.284 20 30 BDEDLO C[C@]1(C[N@@H+]2CCO[C@@](C)(C#N)C2)CCCS1 ZINC000897586259 584022029 /nfs/dbraw/zinc/02/20/29/584022029.db2.gz JTOWLFPSADQQAA-NWDGAFQWSA-N 1 2 240.372 1.887 20 30 BDEDLO C[C@]1(C[N@H+]2CCO[C@@](C)(C#N)C2)CCCS1 ZINC000897586259 584022032 /nfs/dbraw/zinc/02/20/32/584022032.db2.gz JTOWLFPSADQQAA-NWDGAFQWSA-N 1 2 240.372 1.887 20 30 BDEDLO C=C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000898696243 584154271 /nfs/dbraw/zinc/15/42/71/584154271.db2.gz DFGHQQSDRKQYBB-UHFFFAOYSA-N 1 2 205.261 1.062 20 30 BDEDLO C=C1C[NH+](C[C@](O)(CC)C(F)(F)F)C1 ZINC000899900029 584248011 /nfs/dbraw/zinc/24/80/11/584248011.db2.gz GPIIGFCCRSUCGA-MRVPVSSYSA-N 1 2 209.211 1.562 20 30 BDEDLO CC(C)CCN(CCC#N)C(=O)Cc1c[nH+]c[nH]1 ZINC000900567315 584326460 /nfs/dbraw/zinc/32/64/60/584326460.db2.gz DENFOIYVDUHPNG-UHFFFAOYSA-N 1 2 248.330 1.741 20 30 BDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900737771 584347455 /nfs/dbraw/zinc/34/74/55/584347455.db2.gz ZFTAYECVOYDHGB-MFKMUULPSA-N 1 2 246.314 1.541 20 30 BDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900737771 584347457 /nfs/dbraw/zinc/34/74/57/584347457.db2.gz ZFTAYECVOYDHGB-MFKMUULPSA-N 1 2 246.314 1.541 20 30 BDEDLO CCn1c[nH+]c(CN=Nc2cc(C)ncn2)c1 ZINC000901188459 584393826 /nfs/dbraw/zinc/39/38/26/584393826.db2.gz LSXVCIMXMSSHRH-UHFFFAOYSA-N 1 2 230.275 1.447 20 30 BDEDLO CC1(C=[NH+]n2nnc3c2CCCC3)CCOCC1 ZINC000901331528 584425284 /nfs/dbraw/zinc/42/52/84/584425284.db2.gz SAVVBENOOBRXFJ-UHFFFAOYSA-N 1 2 248.330 1.808 20 30 BDEDLO Cn1ccnc1C(=O)/C=C\c1cn(C2CC2)c[nH+]1 ZINC000901474607 584448318 /nfs/dbraw/zinc/44/83/18/584448318.db2.gz RRFZEIRUDSSJLK-DJWKRKHSSA-N 1 2 242.282 1.848 20 30 BDEDLO CCn1c[nH+]cc1/C=C1\Cn2ccnc2C1=O ZINC000901512878 584460943 /nfs/dbraw/zinc/46/09/43/584460943.db2.gz LKINFVBVZZURMP-WEVVVXLNSA-N 1 2 228.255 1.379 20 30 BDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(OC)no1 ZINC000901511997 584461053 /nfs/dbraw/zinc/46/10/53/584461053.db2.gz FNQXLHPZZBIBQX-PLNGDYQASA-N 1 2 247.254 1.796 20 30 BDEDLO Cc1cc(C(=O)/C=C/c2cn(C)c[nH+]2)nn1C ZINC000901554913 584462456 /nfs/dbraw/zinc/46/24/56/584462456.db2.gz HVQVQDAHWOPUAI-SNAWJCMRSA-N 1 2 230.271 1.358 20 30 BDEDLO C=C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(=O)OC ZINC000901662294 584476997 /nfs/dbraw/zinc/47/69/97/584476997.db2.gz JGINDLDCUCOBOO-URAGZPLESA-N 1 2 239.315 1.261 20 30 BDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CCOC1=O ZINC000902048509 584516678 /nfs/dbraw/zinc/51/66/78/584516678.db2.gz HUHRQMPGJSTOQB-UHFFFAOYSA-N 1 2 245.282 1.400 20 30 BDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CCOC1=O ZINC000902048509 584516679 /nfs/dbraw/zinc/51/66/79/584516679.db2.gz HUHRQMPGJSTOQB-UHFFFAOYSA-N 1 2 245.282 1.400 20 30 BDEDLO N#Cc1cncc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000902383990 584577390 /nfs/dbraw/zinc/57/73/90/584577390.db2.gz XCIHTHOZDGJDHI-LLVKDONJSA-N 1 2 246.270 1.131 20 30 BDEDLO C#CCCOC(=O)NCCCCn1cc[nH+]c1 ZINC000859093792 589000909 /nfs/dbraw/zinc/00/09/09/589000909.db2.gz VCRMZMFCGLJUHG-UHFFFAOYSA-N 1 2 235.287 1.413 20 30 BDEDLO CCn1c[nH+]c(CNc2n[nH]c(C)c2C#N)c1 ZINC000902589927 584635688 /nfs/dbraw/zinc/63/56/88/584635688.db2.gz OTSADMLOUXRKGC-UHFFFAOYSA-N 1 2 230.275 1.418 20 30 BDEDLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(C#N)ccn1 ZINC000902796474 584674411 /nfs/dbraw/zinc/67/44/11/584674411.db2.gz QIOHOFLHCXGKEV-VIFPVBQESA-N 1 2 227.271 1.527 20 30 BDEDLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(C#N)ccn1 ZINC000902890605 584690242 /nfs/dbraw/zinc/69/02/42/584690242.db2.gz ATBAVDNKQCSCAC-SNVBAGLBSA-N 1 2 241.298 1.538 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020242 584720553 /nfs/dbraw/zinc/72/05/53/584720553.db2.gz WOIVIIIRJFBURC-SNVBAGLBSA-N 1 2 238.722 1.715 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020242 584720554 /nfs/dbraw/zinc/72/05/54/584720554.db2.gz WOIVIIIRJFBURC-SNVBAGLBSA-N 1 2 238.722 1.715 20 30 BDEDLO CCn1ccnc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106789 584728693 /nfs/dbraw/zinc/72/86/93/584728693.db2.gz VIPJQKGFAKHZTH-SNVBAGLBSA-N 1 2 218.304 1.857 20 30 BDEDLO CCn1cc[nH+]c1[C@@H](C)NCC1(C#N)CC1 ZINC000903106789 584728694 /nfs/dbraw/zinc/72/86/94/584728694.db2.gz VIPJQKGFAKHZTH-SNVBAGLBSA-N 1 2 218.304 1.857 20 30 BDEDLO C=C[C@H](C)ONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000875701041 584884622 /nfs/dbraw/zinc/88/46/22/584884622.db2.gz VOQKNXPEBLXAMV-QMMMGPOBSA-N 1 2 224.264 1.057 20 30 BDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000876745589 584886809 /nfs/dbraw/zinc/88/68/09/584886809.db2.gz NRFRFTXHBQLSRL-UHFFFAOYSA-N 1 2 244.294 1.178 20 30 BDEDLO Cc1cc(N=NCc2[nH]cc[nH+]2)nc(C)n1 ZINC000731151645 584922473 /nfs/dbraw/zinc/92/24/73/584922473.db2.gz NOSYTUIWNAAYGB-UHFFFAOYSA-N 1 2 216.248 1.263 20 30 BDEDLO CC(C)c1nc(C#N)c(N=NCc2[nH]cc[nH+]2)o1 ZINC000731153385 584922702 /nfs/dbraw/zinc/92/27/02/584922702.db2.gz JIIRFHYIXNYABR-UHFFFAOYSA-N 1 2 244.258 1.839 20 30 BDEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cnccn1 ZINC000734752999 584967775 /nfs/dbraw/zinc/96/77/75/584967775.db2.gz NNGGZTPOKHSLEI-OWOJBTEDSA-N 1 2 200.201 1.096 20 30 BDEDLO C=CCNC(=S)NNc1cc(C)[nH+]c(C)n1 ZINC000735989789 584986266 /nfs/dbraw/zinc/98/62/66/584986266.db2.gz QTFTUYMBHKMJHD-UHFFFAOYSA-N 1 2 237.332 1.070 20 30 BDEDLO COc1cc[nH+]cc1COC(=O)C#CC1CC1 ZINC000838366165 585054695 /nfs/dbraw/zinc/05/46/95/585054695.db2.gz LZFJHJFSILSGAE-UHFFFAOYSA-N 1 2 231.251 1.547 20 30 BDEDLO O=C(C#CC1CC1)OCCCn1cc[nH+]c1 ZINC000838366963 585054866 /nfs/dbraw/zinc/05/48/66/585054866.db2.gz XOXCHXZCJMSABR-UHFFFAOYSA-N 1 2 218.256 1.230 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000839133419 585094199 /nfs/dbraw/zinc/09/41/99/585094199.db2.gz SUWBOOLIRGWHNE-UHFFFAOYSA-N 1 2 236.340 1.822 20 30 BDEDLO C#CC[C@@H]([NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000839165508 585095074 /nfs/dbraw/zinc/09/50/74/585095074.db2.gz ADMSTFPXYGDLSH-LLVKDONJSA-N 1 2 236.315 1.471 20 30 BDEDLO C#CC[C@@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OC ZINC000839166926 585095410 /nfs/dbraw/zinc/09/54/10/585095410.db2.gz BHHWDSUTUZTVRV-CMPLNLGQSA-N 1 2 223.316 1.720 20 30 BDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(=O)OC ZINC000839167121 585095416 /nfs/dbraw/zinc/09/54/16/585095416.db2.gz CETIQMHKICDUOV-SRVKXCTJSA-N 1 2 221.300 1.330 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CC(C(F)F)C1)C(=O)OC ZINC000839167226 585095428 /nfs/dbraw/zinc/09/54/28/585095428.db2.gz CZLMVTZJFSEPEP-AMDVSUOASA-N 1 2 231.242 1.185 20 30 BDEDLO C#CC[C@@H]([NH2+]C[C@H](C)c1ccccc1)C(=O)OC ZINC000839167306 585095455 /nfs/dbraw/zinc/09/54/55/585095455.db2.gz FBIGMQHWYOTFTF-GXTWGEPZSA-N 1 2 245.322 1.945 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C(=O)OC ZINC000839166688 585095503 /nfs/dbraw/zinc/09/55/03/585095503.db2.gz QCIRJMHCJVOVDB-GFCCVEGCSA-N 1 2 247.294 1.355 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000839167729 585095778 /nfs/dbraw/zinc/09/57/78/585095778.db2.gz HUYULSNJGXTOHP-MBHSVXNSSA-N 1 2 248.326 1.613 20 30 BDEDLO C#CC[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OC ZINC000839169490 585095944 /nfs/dbraw/zinc/09/59/44/585095944.db2.gz SNMVASWSCWFTON-NEPJUHHUSA-N 1 2 221.300 1.497 20 30 BDEDLO C#CC[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(=O)OC ZINC000839169164 585096014 /nfs/dbraw/zinc/09/60/14/585096014.db2.gz PHUVLBHPIQKDAO-WZRBSPASSA-N 1 2 237.343 1.966 20 30 BDEDLO C#C[C@H]1COCC[N@H+]1CCOc1ccccc1C ZINC000839195245 585098714 /nfs/dbraw/zinc/09/87/14/585098714.db2.gz XTYDGSMDKAKCHG-AWEZNQCLSA-N 1 2 245.322 1.708 20 30 BDEDLO C#C[C@H]1COCC[N@@H+]1CCOc1ccccc1C ZINC000839195245 585098715 /nfs/dbraw/zinc/09/87/15/585098715.db2.gz XTYDGSMDKAKCHG-AWEZNQCLSA-N 1 2 245.322 1.708 20 30 BDEDLO C#CCO[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839235292 585100417 /nfs/dbraw/zinc/10/04/17/585100417.db2.gz HYULHFVMRKXZPD-GFCCVEGCSA-N 1 2 246.310 1.984 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC000741691646 585116739 /nfs/dbraw/zinc/11/67/39/585116739.db2.gz NZNAJBUZPJNMHD-LBPRGKRZSA-N 1 2 246.310 1.161 20 30 BDEDLO C=CCn1nnn(C[N@@H+](C)C2CCC2)c1=S ZINC000742170695 585122575 /nfs/dbraw/zinc/12/25/75/585122575.db2.gz XFCUASRQXSSXSU-UHFFFAOYSA-N 1 2 239.348 1.437 20 30 BDEDLO C=CCn1nnn(C[N@H+](C)C2CCC2)c1=S ZINC000742170695 585122576 /nfs/dbraw/zinc/12/25/76/585122576.db2.gz XFCUASRQXSSXSU-UHFFFAOYSA-N 1 2 239.348 1.437 20 30 BDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cncc(C)c1 ZINC000750850119 585220669 /nfs/dbraw/zinc/22/06/69/585220669.db2.gz RPCDBDHNGYOFOJ-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cncc(C)c1 ZINC000750850119 585220670 /nfs/dbraw/zinc/22/06/70/585220670.db2.gz RPCDBDHNGYOFOJ-ZDUSSCGKSA-N 1 2 243.310 1.426 20 30 BDEDLO C[C@@H]1C[C@@H]1CN=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753940290 585272370 /nfs/dbraw/zinc/27/23/70/585272370.db2.gz UAUUUZJIWCTJFQ-ZNSHCXBVSA-N 1 2 220.320 1.488 20 30 BDEDLO C#CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000753987876 585274467 /nfs/dbraw/zinc/27/44/67/585274467.db2.gz YUAYNGGBBJKTER-VIFPVBQESA-N 1 2 203.245 1.097 20 30 BDEDLO N#CC[N@H+](CCC1OCCCO1)C1CCCC1 ZINC000754659092 585288867 /nfs/dbraw/zinc/28/88/67/585288867.db2.gz NCWITSFHFQUMTN-UHFFFAOYSA-N 1 2 238.331 1.908 20 30 BDEDLO N#CC[N@@H+](CCC1OCCCO1)C1CCCC1 ZINC000754659092 585288868 /nfs/dbraw/zinc/28/88/68/585288868.db2.gz NCWITSFHFQUMTN-UHFFFAOYSA-N 1 2 238.331 1.908 20 30 BDEDLO C=CCCOCC(=O)OCc1c[nH+]cn1C ZINC000754685409 585289474 /nfs/dbraw/zinc/28/94/74/585289474.db2.gz VEGKYGAHEKZFRX-UHFFFAOYSA-N 1 2 224.260 1.056 20 30 BDEDLO c1ccc(N2CCC(=NNC3CC3)CC2)[nH+]c1 ZINC000758130139 585350089 /nfs/dbraw/zinc/35/00/89/585350089.db2.gz VDZVKPGXZWRUDQ-UHFFFAOYSA-N 1 2 230.315 1.790 20 30 BDEDLO c1cn(-c2ccc(N=NCC3CC3)nn2)c[nH+]1 ZINC000761838389 585419840 /nfs/dbraw/zinc/41/98/40/585419840.db2.gz LFISVULBZFABBX-UHFFFAOYSA-N 1 2 228.259 1.470 20 30 BDEDLO CCn1cc[nH+]c1CN=Nc1nccnc1OC ZINC000763409283 585447786 /nfs/dbraw/zinc/44/77/86/585447786.db2.gz WMOHCSWJSZYLRP-UHFFFAOYSA-N 1 2 246.274 1.148 20 30 BDEDLO C#CCCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000766894353 585509397 /nfs/dbraw/zinc/50/93/97/585509397.db2.gz BMQDGIHSKZTECR-NSHDSACASA-N 1 2 241.356 1.380 20 30 BDEDLO C#CCCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000766894353 585509398 /nfs/dbraw/zinc/50/93/98/585509398.db2.gz BMQDGIHSKZTECR-NSHDSACASA-N 1 2 241.356 1.380 20 30 BDEDLO C=CCNC(=S)N(C)CCCn1cc[nH+]c1 ZINC000767691031 585524912 /nfs/dbraw/zinc/52/49/12/585524912.db2.gz LASYREFLHZZZNR-UHFFFAOYSA-N 1 2 238.360 1.266 20 30 BDEDLO N#Cc1cc(Cl)nc(N=NCc2c[nH+]c[nH]2)c1 ZINC000768381670 585537411 /nfs/dbraw/zinc/53/74/11/585537411.db2.gz KUFDPOLLGYTSJT-UHFFFAOYSA-N 1 2 246.661 1.776 20 30 BDEDLO N#Cc1cc(Cl)nc(N=NCc2c[nH]c[nH+]2)c1 ZINC000768381670 585537412 /nfs/dbraw/zinc/53/74/12/585537412.db2.gz KUFDPOLLGYTSJT-UHFFFAOYSA-N 1 2 246.661 1.776 20 30 BDEDLO N#C[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCN1C1CC1 ZINC000768532215 585540069 /nfs/dbraw/zinc/54/00/69/585540069.db2.gz HTLMVXIKRREVNM-JSGCOSHPSA-N 1 2 249.358 1.085 20 30 BDEDLO N#C[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCN1C1CC1 ZINC000768532215 585540070 /nfs/dbraw/zinc/54/00/70/585540070.db2.gz HTLMVXIKRREVNM-JSGCOSHPSA-N 1 2 249.358 1.085 20 30 BDEDLO O=C1CCCN1N=Cc1cccc2[nH+]ccn21 ZINC000769590691 585560284 /nfs/dbraw/zinc/56/02/84/585560284.db2.gz XIWZSLBLRFRIRG-UHFFFAOYSA-N 1 2 228.255 1.291 20 30 BDEDLO N#Cc1ccc(C[NH2+]NC2=[NH+]C=C([O-])C2)cc1 ZINC000769820618 585564500 /nfs/dbraw/zinc/56/45/00/585564500.db2.gz JNWKSKMMJOYHBN-UHFFFAOYSA-N 1 2 228.255 1.006 20 30 BDEDLO C=CCCO[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771941865 585605103 /nfs/dbraw/zinc/60/51/03/585605103.db2.gz VUANEVBTZAFNBT-LLVKDONJSA-N 1 2 238.287 1.408 20 30 BDEDLO C=C(C)CCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805470554 585622884 /nfs/dbraw/zinc/62/28/84/585622884.db2.gz YJIXWGVNDVIRAJ-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(C)CCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805470554 585622885 /nfs/dbraw/zinc/62/28/85/585622885.db2.gz YJIXWGVNDVIRAJ-NSHDSACASA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805473276 585625726 /nfs/dbraw/zinc/62/57/26/585625726.db2.gz FEQJSEICNZJONO-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C=C(CC)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805473276 585625727 /nfs/dbraw/zinc/62/57/27/585625727.db2.gz FEQJSEICNZJONO-LLVKDONJSA-N 1 2 227.304 1.217 20 30 BDEDLO C#CCCCCC(=O)OCc1c[nH+]cn1C ZINC000773778096 585643946 /nfs/dbraw/zinc/64/39/46/585643946.db2.gz CNAUIGCFHHUXKD-UHFFFAOYSA-N 1 2 220.272 1.657 20 30 BDEDLO C#CCC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000773854681 585645055 /nfs/dbraw/zinc/64/50/55/585645055.db2.gz VJVSAXRBQZYZEN-UHFFFAOYSA-N 1 2 233.315 1.128 20 30 BDEDLO COCC#CCO[NH+]=C(N)c1ccccc1C ZINC000775675910 585682891 /nfs/dbraw/zinc/68/28/91/585682891.db2.gz FJIIWWKBOIPENY-UHFFFAOYSA-N 1 2 232.283 1.491 20 30 BDEDLO CCS(=O)(=O)CC[N@H+](C)CCC(C)(C)C#N ZINC000776593282 585702167 /nfs/dbraw/zinc/70/21/67/585702167.db2.gz FQHBYLVMWURCGP-UHFFFAOYSA-N 1 2 246.376 1.293 20 30 BDEDLO CCS(=O)(=O)CC[N@@H+](C)CCC(C)(C)C#N ZINC000776593282 585702168 /nfs/dbraw/zinc/70/21/68/585702168.db2.gz FQHBYLVMWURCGP-UHFFFAOYSA-N 1 2 246.376 1.293 20 30 BDEDLO CNC(=S)NN=CCCc1c[nH+]ccc1C ZINC000776719955 585703382 /nfs/dbraw/zinc/70/33/82/585703382.db2.gz FHHHKSSACIISSU-UHFFFAOYSA-N 1 2 236.344 1.402 20 30 BDEDLO CC(C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000777047934 585707681 /nfs/dbraw/zinc/70/76/81/585707681.db2.gz IZMZFFMCOJAZNX-UHFFFAOYSA-N 1 2 228.255 1.366 20 30 BDEDLO C=CC[N@@H+](C)CN1C[C@@H](c2cccnc2)CC1=O ZINC000777547506 585714852 /nfs/dbraw/zinc/71/48/52/585714852.db2.gz AUAKDUBCUKLCQC-ZDUSSCGKSA-N 1 2 245.326 1.473 20 30 BDEDLO C=CC[N@H+](C)CN1C[C@@H](c2cccnc2)CC1=O ZINC000777547506 585714853 /nfs/dbraw/zinc/71/48/53/585714853.db2.gz AUAKDUBCUKLCQC-ZDUSSCGKSA-N 1 2 245.326 1.473 20 30 BDEDLO COc1cccc(N=NCc2[nH]c[nH+]c2C)n1 ZINC000779816626 585767000 /nfs/dbraw/zinc/76/70/00/585767000.db2.gz DPMOKEUDBCXRIB-UHFFFAOYSA-N 1 2 231.259 1.568 20 30 BDEDLO Cn1c[nH+]cc1C=NNc1ccc2n[nH]cc2c1 ZINC000779819871 585767069 /nfs/dbraw/zinc/76/70/69/585767069.db2.gz ZPWFYGKHQGASML-UHFFFAOYSA-N 1 2 240.270 1.742 20 30 BDEDLO C[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779878601 585769360 /nfs/dbraw/zinc/76/93/60/585769360.db2.gz LZDXABBWPGEBDZ-LLVKDONJSA-N 1 2 235.331 1.438 20 30 BDEDLO Nc1ncc(C=[NH+]Nc2cc(F)cc(F)c2)cn1 ZINC000781590177 585799819 /nfs/dbraw/zinc/79/98/19/585799819.db2.gz UESYSGFOCPLTBT-UHFFFAOYSA-N 1 2 249.224 1.783 20 30 BDEDLO C#CCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000781945917 585805813 /nfs/dbraw/zinc/80/58/13/585805813.db2.gz RFPBKLHHBMIBLU-SECBINFHSA-N 1 2 203.232 1.102 20 30 BDEDLO C#CCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000781945917 585805814 /nfs/dbraw/zinc/80/58/14/585805814.db2.gz RFPBKLHHBMIBLU-SECBINFHSA-N 1 2 203.232 1.102 20 30 BDEDLO CON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783825240 585844197 /nfs/dbraw/zinc/84/41/97/585844197.db2.gz XFVOEQDCTJELMG-UHFFFAOYSA-N 1 2 207.258 1.914 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)c2c(C)coc2C)CC1 ZINC000786159097 585887928 /nfs/dbraw/zinc/88/79/28/585887928.db2.gz MDJKWGMHRXROEV-UHFFFAOYSA-N 1 2 246.310 1.287 20 30 BDEDLO C(=NN[C@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC000788440113 585923536 /nfs/dbraw/zinc/92/35/36/585923536.db2.gz PYEYRAWQIDWSME-JTQLQIEISA-N 1 2 230.271 1.047 20 30 BDEDLO C=CCCC(=O)OCCCc1[nH+]ccn1C ZINC000789788848 585950118 /nfs/dbraw/zinc/95/01/18/585950118.db2.gz PUVBBHYITAYKSH-UHFFFAOYSA-N 1 2 222.288 1.862 20 30 BDEDLO Cn1cc[nH+]c1NN=Cc1ccc(Cl)nc1 ZINC000790302867 585963049 /nfs/dbraw/zinc/96/30/49/585963049.db2.gz YVTVLKBIHJRPFV-UHFFFAOYSA-N 1 2 235.678 1.915 20 30 BDEDLO Cn1cc[nH+]c1NN=C1COCc2ccccc21 ZINC000790301849 585963053 /nfs/dbraw/zinc/96/30/53/585963053.db2.gz JZGNTYOHJWUHMF-UHFFFAOYSA-N 1 2 242.282 1.767 20 30 BDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792218349 585998149 /nfs/dbraw/zinc/99/81/49/585998149.db2.gz OEKFGXKEFANHCF-WDEREUQCSA-N 1 2 236.315 1.564 20 30 BDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792218349 585998150 /nfs/dbraw/zinc/99/81/50/585998150.db2.gz OEKFGXKEFANHCF-WDEREUQCSA-N 1 2 236.315 1.564 20 30 BDEDLO Nc1[nH+]cccc1CN=Nc1ncncc1F ZINC000793217540 586014148 /nfs/dbraw/zinc/01/41/48/586014148.db2.gz HCILWFJLEFSWNW-UHFFFAOYSA-N 1 2 232.222 1.039 20 30 BDEDLO Cn1c[nH+]c(CN=Nc2ccc(F)cn2)c1 ZINC000794510037 586041129 /nfs/dbraw/zinc/04/11/29/586041129.db2.gz IVWMNZDWBHGBRQ-UHFFFAOYSA-N 1 2 219.223 1.400 20 30 BDEDLO NC(=[NH+]O[C@H]1CCOC1)c1ccc(F)cc1 ZINC000794517501 586041333 /nfs/dbraw/zinc/04/13/33/586041333.db2.gz DAVNURXFQMMJLR-JTQLQIEISA-N 1 2 224.235 1.252 20 30 BDEDLO CC1(C)CCC[C@H]1[NH2+]NC1=CC(=O)N2CCC[C@H]12 ZINC000799487358 586180024 /nfs/dbraw/zinc/18/00/24/586180024.db2.gz LAZKKIKFAXPLPY-VXGBXAGGSA-N 1 2 249.358 1.905 20 30 BDEDLO C#CC(C)(C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000859372839 589034531 /nfs/dbraw/zinc/03/45/31/589034531.db2.gz FTTTWSONCDQWRG-NSHDSACASA-N 1 2 245.326 1.282 20 30 BDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)[C@@H]1CCCO1 ZINC000800490829 586222670 /nfs/dbraw/zinc/22/26/70/586222670.db2.gz ORHDUTKVMNTTOG-OBJOEFQTSA-N 1 2 247.342 1.560 20 30 BDEDLO Cn1c[nH+]c(/C=C/C(=O)c2cncs2)c1 ZINC000800793246 586229210 /nfs/dbraw/zinc/22/92/10/586229210.db2.gz ILWGSVBTOXWVCO-NSCUHMNNSA-N 1 2 219.269 1.773 20 30 BDEDLO Cn1c[nH+]c(/C=C2/CCc3nn(C)cc3C2=O)c1 ZINC000800795368 586229590 /nfs/dbraw/zinc/22/95/90/586229590.db2.gz HSFBRJFTZFPWSD-UITAMQMPSA-N 1 2 242.282 1.366 20 30 BDEDLO CCCCNN=C(C)c1cn(C)c(C)[nH+]1 ZINC000800810681 586230997 /nfs/dbraw/zinc/23/09/97/586230997.db2.gz SESZQMDZFTYHKU-UHFFFAOYSA-N 1 2 208.309 1.842 20 30 BDEDLO CC(=NNCC(F)(F)F)c1cn(C)c(C)[nH+]1 ZINC000800815635 586232087 /nfs/dbraw/zinc/23/20/87/586232087.db2.gz IFEKXTSMSIKFSZ-UHFFFAOYSA-N 1 2 234.225 1.604 20 30 BDEDLO CCOCCON=C(C)c1cn(C)c(C)[nH+]1 ZINC000800815624 586232129 /nfs/dbraw/zinc/23/21/29/586232129.db2.gz HVPMIZUEHPRRQW-UHFFFAOYSA-N 1 2 225.292 1.506 20 30 BDEDLO CC(=NOC1CCOCC1)c1cn(C)c(C)[nH+]1 ZINC000800815826 586232478 /nfs/dbraw/zinc/23/24/78/586232478.db2.gz PCDJBRAVNJQKEX-UHFFFAOYSA-N 1 2 237.303 1.648 20 30 BDEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562929 586263321 /nfs/dbraw/zinc/26/33/21/586263321.db2.gz IHCMMVCXWXOYFC-SECBINFHSA-N 1 2 232.274 1.892 20 30 BDEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562929 586263323 /nfs/dbraw/zinc/26/33/23/586263323.db2.gz IHCMMVCXWXOYFC-SECBINFHSA-N 1 2 232.274 1.892 20 30 BDEDLO CCC[C@@](C)([NH2+]CCO[C@@H](C)C#N)C(=O)OC ZINC000801922448 586277709 /nfs/dbraw/zinc/27/77/09/586277709.db2.gz WNOCOTIYPJULLC-CMPLNLGQSA-N 1 2 242.319 1.236 20 30 BDEDLO C#CCC(CC#C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000803699315 586370319 /nfs/dbraw/zinc/37/03/19/586370319.db2.gz YVCSCGQQJRGCMH-UHFFFAOYSA-N 1 2 242.278 1.370 20 30 BDEDLO C#CCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335957 586391259 /nfs/dbraw/zinc/39/12/59/586391259.db2.gz HCBWPCNNUQFBJE-NSHDSACASA-N 1 2 231.299 1.118 20 30 BDEDLO C#CCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000806535089 586413221 /nfs/dbraw/zinc/41/32/21/586413221.db2.gz MQZCVRSVBGOYQN-UHFFFAOYSA-N 1 2 217.272 1.843 20 30 BDEDLO c1[nH]c(CN=Nc2nccnc2C2CCC2)c[nH+]1 ZINC000807992408 586455929 /nfs/dbraw/zinc/45/59/29/586455929.db2.gz DKZMHERGKHPWSP-UHFFFAOYSA-N 1 2 242.286 1.913 20 30 BDEDLO c1[nH]cc(CN=Nc2nccnc2C2CCC2)[nH+]1 ZINC000807992408 586455930 /nfs/dbraw/zinc/45/59/30/586455930.db2.gz DKZMHERGKHPWSP-UHFFFAOYSA-N 1 2 242.286 1.913 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000809683692 586512053 /nfs/dbraw/zinc/51/20/53/586512053.db2.gz KOAAAFAEIBABDI-LLVKDONJSA-N 1 2 226.283 1.379 20 30 BDEDLO C#C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CCCO1 ZINC000810152934 586535422 /nfs/dbraw/zinc/53/54/22/586535422.db2.gz HPMQAPARFYRYCB-QWRGUYRKSA-N 1 2 247.323 1.285 20 30 BDEDLO C#C[C@H]([NH2+][C@H](C)c1cc(C)on1)[C@H]1CCCO1 ZINC000810236807 586537179 /nfs/dbraw/zinc/53/71/79/586537179.db2.gz NQADTYSBSLQYNJ-NTZNESFSSA-N 1 2 234.299 1.814 20 30 BDEDLO CC(=[NH+]NC[C@@H](C)C#N)c1cc(N)ccc1F ZINC000814881782 586642329 /nfs/dbraw/zinc/64/23/29/586642329.db2.gz XSOJHFHSZMAAIP-QMMMGPOBSA-N 1 2 234.278 1.881 20 30 BDEDLO Cc1cccnc1N[NH+]=Cc1cnn(C)c1N ZINC000814911346 586649286 /nfs/dbraw/zinc/64/92/86/586649286.db2.gz CLNWUNNVPHMIEY-UHFFFAOYSA-N 1 2 230.275 1.152 20 30 BDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ncccc1C ZINC000814912022 586649370 /nfs/dbraw/zinc/64/93/70/586649370.db2.gz ZZTUYXFQQWSHIU-UHFFFAOYSA-N 1 2 244.302 1.460 20 30 BDEDLO CC(=NNc1[nH+]ccn1C)c1c[nH]nc1C ZINC000814918784 586650989 /nfs/dbraw/zinc/65/09/89/586650989.db2.gz GCUYNFJQJBHDQD-UHFFFAOYSA-N 1 2 218.264 1.288 20 30 BDEDLO CCc1nocc1C=NNc1[nH+]ccn1C ZINC000814919557 586651138 /nfs/dbraw/zinc/65/11/38/586651138.db2.gz VSULCEDNIGVVAK-UHFFFAOYSA-N 1 2 219.248 1.417 20 30 BDEDLO C=CCOCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000815111639 586667084 /nfs/dbraw/zinc/66/70/84/586667084.db2.gz DLGHWHLPSWMJGI-SECBINFHSA-N 1 2 221.247 1.155 20 30 BDEDLO C=CCOCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000815111639 586667085 /nfs/dbraw/zinc/66/70/85/586667085.db2.gz DLGHWHLPSWMJGI-SECBINFHSA-N 1 2 221.247 1.155 20 30 BDEDLO C#CC[N@@H+](CC)Cc1cnn(C)c1Cl ZINC000816496331 586736706 /nfs/dbraw/zinc/73/67/06/586736706.db2.gz FYXSLYRHAZIUNN-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO C#CC[N@H+](CC)Cc1cnn(C)c1Cl ZINC000816496331 586736708 /nfs/dbraw/zinc/73/67/08/586736708.db2.gz FYXSLYRHAZIUNN-UHFFFAOYSA-N 1 2 211.696 1.529 20 30 BDEDLO Cn1ncc(C[NH+]2CCC(C#N)CC2)c1Cl ZINC000816498690 586736913 /nfs/dbraw/zinc/73/69/13/586736913.db2.gz GZOJCVNKGPYDEV-UHFFFAOYSA-N 1 2 238.722 1.809 20 30 BDEDLO O[C@@H]1CCC[C@H]1NN=Cc1cccc2[nH+]ccn21 ZINC000817338457 586797320 /nfs/dbraw/zinc/79/73/20/586797320.db2.gz TVNVCNDUFZNZCL-VXGBXAGGSA-N 1 2 244.298 1.171 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859884426 589068817 /nfs/dbraw/zinc/06/88/17/589068817.db2.gz XPNACBXNJZTEFV-ISTVAULSSA-N 1 2 233.764 1.724 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859884426 589068818 /nfs/dbraw/zinc/06/88/18/589068818.db2.gz XPNACBXNJZTEFV-ISTVAULSSA-N 1 2 233.764 1.724 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000818978484 586919067 /nfs/dbraw/zinc/91/90/67/586919067.db2.gz WLQYJXBZVVNQQM-SNVBAGLBSA-N 1 2 246.301 1.750 20 30 BDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000818978484 586919069 /nfs/dbraw/zinc/91/90/69/586919069.db2.gz WLQYJXBZVVNQQM-SNVBAGLBSA-N 1 2 246.301 1.750 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NNc1cnn(C)c1 ZINC000819809749 586996895 /nfs/dbraw/zinc/99/68/95/586996895.db2.gz MPGBAAAMZAOTAP-UHFFFAOYSA-N 1 2 232.291 1.644 20 30 BDEDLO CC(C)n1c[nH+]cc1CN=Nc1cncnc1 ZINC000819812236 586997348 /nfs/dbraw/zinc/99/73/48/586997348.db2.gz AJIITKSQGLVNBG-UHFFFAOYSA-N 1 2 230.275 1.700 20 30 BDEDLO CC(C)n1c[nH+]cc1C=NN[C@@H]1CCSC1 ZINC000819814188 586997741 /nfs/dbraw/zinc/99/77/41/586997741.db2.gz YKHQLKNDCUNMBA-SNVBAGLBSA-N 1 2 238.360 1.893 20 30 BDEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@@H](O)C1 ZINC000820652547 587062796 /nfs/dbraw/zinc/06/27/96/587062796.db2.gz TWSXLWGDBYOQIG-GFCCVEGCSA-N 1 2 246.310 1.445 20 30 BDEDLO C#C[C@](C)(CC)NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821003853 587087369 /nfs/dbraw/zinc/08/73/69/587087369.db2.gz JAQLQSRJSUOURX-MEJMFZKBSA-N 1 2 231.299 1.351 20 30 BDEDLO C#C[C@@](C)(CC)NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821003855 587087624 /nfs/dbraw/zinc/08/76/24/587087624.db2.gz JAQLQSRJSUOURX-WSROAFLRSA-N 1 2 231.299 1.351 20 30 BDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2nonc2c1 ZINC000821386325 587115378 /nfs/dbraw/zinc/11/53/78/587115378.db2.gz KEAPLIXIBNYDHC-SECBINFHSA-N 1 2 230.271 1.957 20 30 BDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000821386325 587115379 /nfs/dbraw/zinc/11/53/79/587115379.db2.gz KEAPLIXIBNYDHC-SECBINFHSA-N 1 2 230.271 1.957 20 30 BDEDLO C=C(C)CCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821412949 587118558 /nfs/dbraw/zinc/11/85/58/587118558.db2.gz SVCGAQGJRLRRGJ-SNAWJCMRSA-N 1 2 219.288 1.516 20 30 BDEDLO C#CCN(C(=O)Cc1[nH]cc(CC)[nH+]1)C1CC1 ZINC000821961726 587148404 /nfs/dbraw/zinc/14/84/04/587148404.db2.gz TWMNOBUVQFYWTM-UHFFFAOYSA-N 1 2 231.299 1.139 20 30 BDEDLO C#C[C@@H]1CCCN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000824290217 587265037 /nfs/dbraw/zinc/26/50/37/587265037.db2.gz JNSPEGODYCSKPF-LLVKDONJSA-N 1 2 245.326 1.386 20 30 BDEDLO C=CCCONC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825566519 587325475 /nfs/dbraw/zinc/32/54/75/587325475.db2.gz XWLDFFGJPVRAML-WAYWQWQTSA-N 1 2 221.260 1.057 20 30 BDEDLO CCN(C(=O)/C=C/c1cn(C)c[nH+]1)[C@H](C)C#N ZINC000825635136 587328080 /nfs/dbraw/zinc/32/80/80/587328080.db2.gz LTADEUJXCJZZED-BRAIEQGRSA-N 1 2 232.287 1.194 20 30 BDEDLO N#CCCNc1nc(N)[nH+]c2c1CCCC2 ZINC000826019137 587348421 /nfs/dbraw/zinc/34/84/21/587348421.db2.gz APDVGLASIRJJAV-UHFFFAOYSA-N 1 2 217.276 1.263 20 30 BDEDLO Cc1cc[nH+]c(NCCCC#N)c1-c1nn[nH]n1 ZINC000826313438 587352332 /nfs/dbraw/zinc/35/23/32/587352332.db2.gz GWIFIAZRPORMSX-UHFFFAOYSA-N 1 2 243.274 1.286 20 30 BDEDLO COCC[N@H+](CCF)Cc1ccc(C#N)o1 ZINC000827054765 587369091 /nfs/dbraw/zinc/36/90/91/587369091.db2.gz XSMWRHSLWPVAMQ-UHFFFAOYSA-N 1 2 226.251 1.569 20 30 BDEDLO COCC[N@@H+](CCF)Cc1ccc(C#N)o1 ZINC000827054765 587369092 /nfs/dbraw/zinc/36/90/92/587369092.db2.gz XSMWRHSLWPVAMQ-UHFFFAOYSA-N 1 2 226.251 1.569 20 30 BDEDLO C#Cc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305681 587376222 /nfs/dbraw/zinc/37/62/22/587376222.db2.gz WUOBQFAXYQTLLM-UHFFFAOYSA-N 1 2 240.310 1.428 20 30 BDEDLO C#Cc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305681 587376223 /nfs/dbraw/zinc/37/62/23/587376223.db2.gz WUOBQFAXYQTLLM-UHFFFAOYSA-N 1 2 240.310 1.428 20 30 BDEDLO C#CC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000829815312 587519432 /nfs/dbraw/zinc/51/94/32/587519432.db2.gz JPDXUTNBYTVVTJ-SNVBAGLBSA-N 1 2 221.329 1.773 20 30 BDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000829815312 587519434 /nfs/dbraw/zinc/51/94/34/587519434.db2.gz JPDXUTNBYTVVTJ-SNVBAGLBSA-N 1 2 221.329 1.773 20 30 BDEDLO C#CCCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000830035327 587533084 /nfs/dbraw/zinc/53/30/84/587533084.db2.gz JZVITERBDKOFMG-NSHDSACASA-N 1 2 245.326 1.434 20 30 BDEDLO C#CCCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000830035327 587533086 /nfs/dbraw/zinc/53/30/86/587533086.db2.gz JZVITERBDKOFMG-NSHDSACASA-N 1 2 245.326 1.434 20 30 BDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC000831678621 587627454 /nfs/dbraw/zinc/62/74/54/587627454.db2.gz CNYHSFCHAYVIDV-RQJHMYQMSA-N 1 2 227.201 1.820 20 30 BDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)OCCCC ZINC000831830466 587633747 /nfs/dbraw/zinc/63/37/47/587633747.db2.gz VQUJTXOBWIIWSL-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO CC(=NN[C@@H](C)C(F)(F)F)c1cn(C)c(C)[nH+]1 ZINC000834998666 587776701 /nfs/dbraw/zinc/77/67/01/587776701.db2.gz WNSPSPOXAFLRLH-ZETCQYMHSA-N 1 2 248.252 1.993 20 30 BDEDLO CCOC(=O)CC(C)(C)C=[NH+]n1ccnn1 ZINC000835012045 587778040 /nfs/dbraw/zinc/77/80/40/587778040.db2.gz SUIKXKNPUMNPCL-UHFFFAOYSA-N 1 2 224.264 1.091 20 30 BDEDLO C=CC(C)(C)C(=O)OCc1c[nH+]cn1C ZINC000835194480 587788222 /nfs/dbraw/zinc/78/82/22/587788222.db2.gz SJLLWXFHVMPPJB-UHFFFAOYSA-N 1 2 208.261 1.676 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C2CCCCCC2)CC1 ZINC000101961024 587790169 /nfs/dbraw/zinc/79/01/69/587790169.db2.gz NUFYIYKIXBSISI-UHFFFAOYSA-N 1 2 248.370 1.734 20 30 BDEDLO CC(C)(C)C#CC(=O)NCCCn1cc[nH+]c1 ZINC000837306843 587865189 /nfs/dbraw/zinc/86/51/89/587865189.db2.gz CBDJPJNBMYAFCN-UHFFFAOYSA-N 1 2 233.315 1.439 20 30 BDEDLO C[NH+](C)Cc1csc(NC(=O)C#CC2CC2)n1 ZINC000837697614 587891557 /nfs/dbraw/zinc/89/15/57/587891557.db2.gz MLJOZLNVTDOIPK-UHFFFAOYSA-N 1 2 249.339 1.557 20 30 BDEDLO CCCCCON=C(N)C[NH+]1CCSCC1 ZINC000121503975 587951403 /nfs/dbraw/zinc/95/14/03/587951403.db2.gz IVTYOUIQXQMFRJ-UHFFFAOYSA-N 1 2 245.392 1.514 20 30 BDEDLO C=CCOCCO[NH+]=C(N)c1ccccc1 ZINC000842012889 587988984 /nfs/dbraw/zinc/98/89/84/587988984.db2.gz BJUDMGDXCZVQBI-UHFFFAOYSA-N 1 2 220.272 1.736 20 30 BDEDLO C=CCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655008 588050116 /nfs/dbraw/zinc/05/01/16/588050116.db2.gz AVFHXDMDLYALFU-SNVBAGLBSA-N 1 2 228.292 1.257 20 30 BDEDLO Oc1ccccc1/C=[NH+]/CC[C@]1(O)CCCOC1 ZINC000844270776 588178394 /nfs/dbraw/zinc/17/83/94/588178394.db2.gz JVIJOAHTCMTEJN-MFYHJKBNSA-N 1 2 249.310 1.743 20 30 BDEDLO C#CCN(CC#N)Cc1cc(OC(C)C)cc[nH+]1 ZINC000844325301 588185105 /nfs/dbraw/zinc/18/51/05/588185105.db2.gz SBLZDPKGZYDPLF-UHFFFAOYSA-N 1 2 243.310 1.828 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000844323179 588185172 /nfs/dbraw/zinc/18/51/72/588185172.db2.gz DFDDAZRGDSTZMR-SNVBAGLBSA-N 1 2 203.289 1.283 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000844323179 588185174 /nfs/dbraw/zinc/18/51/74/588185174.db2.gz DFDDAZRGDSTZMR-SNVBAGLBSA-N 1 2 203.289 1.283 20 30 BDEDLO N#Cc1cccc2c1C[N@H+](C[C@@H](O)C1CC1)C2 ZINC000844471331 588198036 /nfs/dbraw/zinc/19/80/36/588198036.db2.gz BNXDURPZLWWOFG-CQSZACIVSA-N 1 2 228.295 1.645 20 30 BDEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H](O)C1CC1)C2 ZINC000844471331 588198037 /nfs/dbraw/zinc/19/80/37/588198037.db2.gz BNXDURPZLWWOFG-CQSZACIVSA-N 1 2 228.295 1.645 20 30 BDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1(F)CCCC1 ZINC000844527499 588200533 /nfs/dbraw/zinc/20/05/33/588200533.db2.gz PUQXJAUZUUWLBN-LLVKDONJSA-N 1 2 241.310 1.229 20 30 BDEDLO CC[C@@H](C#N)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845487864 588230462 /nfs/dbraw/zinc/23/04/62/588230462.db2.gz XYOCNGLNHNRWJS-NSHDSACASA-N 1 2 247.298 1.607 20 30 BDEDLO C[C@H](C#N)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845496035 588230741 /nfs/dbraw/zinc/23/07/41/588230741.db2.gz ZIGZGYMZQYRALC-ZJUUUORDSA-N 1 2 221.260 1.537 20 30 BDEDLO CC(C)(NC(=O)c1ccc(C#N)o1)c1[nH]cc[nH+]1 ZINC000846247525 588262567 /nfs/dbraw/zinc/26/25/67/588262567.db2.gz QKQLOWOHCPIXID-UHFFFAOYSA-N 1 2 244.254 1.539 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000846546636 588274085 /nfs/dbraw/zinc/27/40/85/588274085.db2.gz DYYSRVGGRSKBSK-UWVGGRQHSA-N 1 2 235.287 1.068 20 30 BDEDLO C=C[C@H](C)ONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846554877 588276845 /nfs/dbraw/zinc/27/68/45/588276845.db2.gz KXABBEPDPMFLDV-ZJUUUORDSA-N 1 2 223.276 1.457 20 30 BDEDLO CCN1C[C@@H](C[N@H+](CC)C[C@@H](C)C#N)OC1=O ZINC000846787322 588288494 /nfs/dbraw/zinc/28/84/94/588288494.db2.gz DTWSIMKLLCYCDB-WDEREUQCSA-N 1 2 239.319 1.309 20 30 BDEDLO CCN1C[C@@H](C[N@@H+](CC)C[C@@H](C)C#N)OC1=O ZINC000846787322 588288495 /nfs/dbraw/zinc/28/84/95/588288495.db2.gz DTWSIMKLLCYCDB-WDEREUQCSA-N 1 2 239.319 1.309 20 30 BDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(CCC=C)nn1 ZINC000846878346 588295063 /nfs/dbraw/zinc/29/50/63/588295063.db2.gz HXZJSDNWLUGKBG-LLVKDONJSA-N 1 2 218.304 1.308 20 30 BDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(CCC=C)nn1 ZINC000846878346 588295064 /nfs/dbraw/zinc/29/50/64/588295064.db2.gz HXZJSDNWLUGKBG-LLVKDONJSA-N 1 2 218.304 1.308 20 30 BDEDLO CCN1C[C@H](C[N@H+](C)CC(C)(C)C#N)OC1=O ZINC000846924881 588297073 /nfs/dbraw/zinc/29/70/73/588297073.db2.gz HKQTUPQVNDHCNC-JTQLQIEISA-N 1 2 239.319 1.309 20 30 BDEDLO CCN1C[C@H](C[N@@H+](C)CC(C)(C)C#N)OC1=O ZINC000846924881 588297074 /nfs/dbraw/zinc/29/70/74/588297074.db2.gz HKQTUPQVNDHCNC-JTQLQIEISA-N 1 2 239.319 1.309 20 30 BDEDLO CC(=O)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000846953023 588298412 /nfs/dbraw/zinc/29/84/12/588298412.db2.gz UXFUJBGIPCFHSG-LBPRGKRZSA-N 1 2 233.315 1.731 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000847022055 588302756 /nfs/dbraw/zinc/30/27/56/588302756.db2.gz DXGZCSBZCFZYII-VIFPVBQESA-N 1 2 248.248 1.010 20 30 BDEDLO C#C[C@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000847022055 588302757 /nfs/dbraw/zinc/30/27/57/588302757.db2.gz DXGZCSBZCFZYII-VIFPVBQESA-N 1 2 248.248 1.010 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000848494552 588387985 /nfs/dbraw/zinc/38/79/85/588387985.db2.gz RAXHOOWZXQDNAL-NSHDSACASA-N 1 2 248.286 1.402 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000848494552 588387987 /nfs/dbraw/zinc/38/79/87/588387987.db2.gz RAXHOOWZXQDNAL-NSHDSACASA-N 1 2 248.286 1.402 20 30 BDEDLO C#CC[C@H]1CCCN(c2nc[nH+]c(N)c2OC)C1 ZINC000848733034 588409782 /nfs/dbraw/zinc/40/97/82/588409782.db2.gz AKJVAZNEGBLMET-JTQLQIEISA-N 1 2 246.314 1.307 20 30 BDEDLO C#CC[C@H]1CCCN(c2[nH+]cnc(N)c2OC)C1 ZINC000848733034 588409783 /nfs/dbraw/zinc/40/97/83/588409783.db2.gz AKJVAZNEGBLMET-JTQLQIEISA-N 1 2 246.314 1.307 20 30 BDEDLO Cc1c[nH+]c2cc(C(=O)O[C@H](C)C#N)ccn12 ZINC000848780938 588413496 /nfs/dbraw/zinc/41/34/96/588413496.db2.gz VAULDYZRWIKYET-SECBINFHSA-N 1 2 229.239 1.712 20 30 BDEDLO COC(=O)/C=C\c1ccc(C[NH2+]CCC#N)o1 ZINC000848907386 588419697 /nfs/dbraw/zinc/41/96/97/588419697.db2.gz MYAFXDGYFYNLPG-WAYWQWQTSA-N 1 2 234.255 1.469 20 30 BDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000848923235 588421372 /nfs/dbraw/zinc/42/13/72/588421372.db2.gz HHCFTZGGUWVFNK-LLVKDONJSA-N 1 2 203.289 1.563 20 30 BDEDLO C#C[C@@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000848923235 588421373 /nfs/dbraw/zinc/42/13/73/588421373.db2.gz HHCFTZGGUWVFNK-LLVKDONJSA-N 1 2 203.289 1.563 20 30 BDEDLO C#C[C@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000848923236 588421454 /nfs/dbraw/zinc/42/14/54/588421454.db2.gz HHCFTZGGUWVFNK-NSHDSACASA-N 1 2 203.289 1.563 20 30 BDEDLO C#C[C@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000848923236 588421455 /nfs/dbraw/zinc/42/14/55/588421455.db2.gz HHCFTZGGUWVFNK-NSHDSACASA-N 1 2 203.289 1.563 20 30 BDEDLO Cn1cnc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000850391490 588543418 /nfs/dbraw/zinc/54/34/18/588543418.db2.gz SBFMHEPTOBZLSP-UHFFFAOYSA-N 1 2 232.331 1.984 20 30 BDEDLO C[N@H+](Cc1cnon1)Cc1ccc(C#N)cc1 ZINC000851714959 588615783 /nfs/dbraw/zinc/61/57/83/588615783.db2.gz LNDIMUJXCPYZBD-UHFFFAOYSA-N 1 2 228.255 1.573 20 30 BDEDLO C[N@@H+](Cc1cnon1)Cc1ccc(C#N)cc1 ZINC000851714959 588615784 /nfs/dbraw/zinc/61/57/84/588615784.db2.gz LNDIMUJXCPYZBD-UHFFFAOYSA-N 1 2 228.255 1.573 20 30 BDEDLO C[C@H](C#N)C[N@H+](C[C@@H]1CCC(=O)O1)C1CC1 ZINC000851866286 588636023 /nfs/dbraw/zinc/63/60/23/588636023.db2.gz MLNXKYXZYYZFDZ-KOLCDFICSA-N 1 2 222.288 1.316 20 30 BDEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1CCC(=O)O1)C1CC1 ZINC000851866286 588636024 /nfs/dbraw/zinc/63/60/24/588636024.db2.gz MLNXKYXZYYZFDZ-KOLCDFICSA-N 1 2 222.288 1.316 20 30 BDEDLO C#CC[N@@H+](Cc1nc(C)oc1C)C1CC1 ZINC000851937879 588645926 /nfs/dbraw/zinc/64/59/26/588645926.db2.gz DERXUCMGVGQDCE-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO C#CC[N@H+](Cc1nc(C)oc1C)C1CC1 ZINC000851937879 588645927 /nfs/dbraw/zinc/64/59/27/588645927.db2.gz DERXUCMGVGQDCE-UHFFFAOYSA-N 1 2 204.273 1.889 20 30 BDEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC(=O)O1 ZINC000852074718 588659656 /nfs/dbraw/zinc/65/96/56/588659656.db2.gz FDKDMLPNFRZUOT-SNVBAGLBSA-N 1 2 208.261 1.094 20 30 BDEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC(=O)O1 ZINC000852074718 588659657 /nfs/dbraw/zinc/65/96/57/588659657.db2.gz FDKDMLPNFRZUOT-SNVBAGLBSA-N 1 2 208.261 1.094 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(C)no1 ZINC000852100269 588662743 /nfs/dbraw/zinc/66/27/43/588662743.db2.gz VIWVIAYUKONWCT-KCJUWKMLSA-N 1 2 207.277 1.831 20 30 BDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(COC)no1 ZINC000852101768 588663229 /nfs/dbraw/zinc/66/32/29/588663229.db2.gz SLJUCBHVTVBISK-NSHDSACASA-N 1 2 223.276 1.108 20 30 BDEDLO C#C[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000852304060 588677525 /nfs/dbraw/zinc/67/75/25/588677525.db2.gz FWCWKKLCGWYYEA-QWRGUYRKSA-N 1 2 248.330 1.438 20 30 BDEDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319815 588678558 /nfs/dbraw/zinc/67/85/58/588678558.db2.gz SBRCUIQWEQCKGO-NEPJUHHUSA-N 1 2 238.331 1.954 20 30 BDEDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319815 588678559 /nfs/dbraw/zinc/67/85/59/588678559.db2.gz SBRCUIQWEQCKGO-NEPJUHHUSA-N 1 2 238.331 1.954 20 30 BDEDLO C[C@@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333746 588678663 /nfs/dbraw/zinc/67/86/63/588678663.db2.gz UJVHUZGYVRCXMX-TZMCWYRMSA-N 1 2 245.326 1.320 20 30 BDEDLO C[C@@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333746 588678664 /nfs/dbraw/zinc/67/86/64/588678664.db2.gz UJVHUZGYVRCXMX-TZMCWYRMSA-N 1 2 245.326 1.320 20 30 BDEDLO COCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326923 588678736 /nfs/dbraw/zinc/67/87/36/588678736.db2.gz REZXDEPNAOHSGX-CQSZACIVSA-N 1 2 245.326 1.585 20 30 BDEDLO COCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326923 588678737 /nfs/dbraw/zinc/67/87/37/588678737.db2.gz REZXDEPNAOHSGX-CQSZACIVSA-N 1 2 245.326 1.585 20 30 BDEDLO COCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326922 588678763 /nfs/dbraw/zinc/67/87/63/588678763.db2.gz REZXDEPNAOHSGX-AWEZNQCLSA-N 1 2 245.326 1.585 20 30 BDEDLO COCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326922 588678764 /nfs/dbraw/zinc/67/87/64/588678764.db2.gz REZXDEPNAOHSGX-AWEZNQCLSA-N 1 2 245.326 1.585 20 30 BDEDLO C[C@H](C#N)[N@H+](CC[C@@H]1COC(C)(C)O1)C1CC1 ZINC000852481808 588684620 /nfs/dbraw/zinc/68/46/20/588684620.db2.gz QRKHXTMIGFFDPS-ZYHUDNBSSA-N 1 2 238.331 1.904 20 30 BDEDLO C[C@H](C#N)[N@@H+](CC[C@@H]1COC(C)(C)O1)C1CC1 ZINC000852481808 588684621 /nfs/dbraw/zinc/68/46/21/588684621.db2.gz QRKHXTMIGFFDPS-ZYHUDNBSSA-N 1 2 238.331 1.904 20 30 BDEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852684064 588695268 /nfs/dbraw/zinc/69/52/68/588695268.db2.gz ASUQDPRZOIXLIU-CHWSQXEVSA-N 1 2 231.299 1.351 20 30 BDEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852684064 588695269 /nfs/dbraw/zinc/69/52/69/588695269.db2.gz ASUQDPRZOIXLIU-CHWSQXEVSA-N 1 2 231.299 1.351 20 30 BDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(C(C)C)o1 ZINC000852714557 588697542 /nfs/dbraw/zinc/69/75/42/588697542.db2.gz UYOQPDHEUDKWOR-SECBINFHSA-N 1 2 210.277 1.435 20 30 BDEDLO N#Cc1ccc(C(=O)OCC[NH+]2CCC2)s1 ZINC000861387609 589162252 /nfs/dbraw/zinc/16/22/52/589162252.db2.gz IIEZGUCYWMCXKA-UHFFFAOYSA-N 1 2 236.296 1.482 20 30 BDEDLO N#Cc1csc(C(=O)OCC[NH+]2CCC2)c1 ZINC000861387558 589163010 /nfs/dbraw/zinc/16/30/10/589163010.db2.gz HBKWIRBBAZXXGB-UHFFFAOYSA-N 1 2 236.296 1.482 20 30 BDEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000861853558 589180325 /nfs/dbraw/zinc/18/03/25/589180325.db2.gz GBWYPWBNRQAGGX-JTQLQIEISA-N 1 2 246.314 1.774 20 30 BDEDLO C=C[C@H](C)ONC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000862133271 589192704 /nfs/dbraw/zinc/19/27/04/589192704.db2.gz WEXJEOAMVWIBTL-QWRGUYRKSA-N 1 2 249.314 1.376 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cnc(C2CC2)o1)[C@H]1CCCO1 ZINC000862332921 589201065 /nfs/dbraw/zinc/20/10/65/589201065.db2.gz ZOUQHVWWIZTKJM-QWHCGFSZSA-N 1 2 246.310 1.822 20 30 BDEDLO C#C[C@H]([NH2+]Cc1cnc(C)o1)[C@H]1CCCO1 ZINC000862330764 589201164 /nfs/dbraw/zinc/20/11/64/589201164.db2.gz DJPMNFKSGCPETD-NWDGAFQWSA-N 1 2 220.272 1.253 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(C)nc1Br ZINC000862332151 589201298 /nfs/dbraw/zinc/20/12/98/589201298.db2.gz RWKFZAMBJPIZOY-UHFFFAOYSA-N 1 2 244.136 1.800 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(C)nc1Br ZINC000862332151 589201299 /nfs/dbraw/zinc/20/12/99/589201299.db2.gz RWKFZAMBJPIZOY-UHFFFAOYSA-N 1 2 244.136 1.800 20 30 BDEDLO CCOC(=O)c1cccc(C[NH2+]CCC#N)n1 ZINC000862351504 589202279 /nfs/dbraw/zinc/20/22/79/589202279.db2.gz NAXBZDUGCHSTMZ-UHFFFAOYSA-N 1 2 233.271 1.262 20 30 BDEDLO C=CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC000863942787 589328646 /nfs/dbraw/zinc/32/86/46/589328646.db2.gz ACFGUTYHDGJZHA-UHFFFAOYSA-N 1 2 221.304 1.386 20 30 BDEDLO CO[C@H](C)C(N)=[NH+]OCc1ccc(Cl)cn1 ZINC000120274655 589398334 /nfs/dbraw/zinc/39/83/34/589398334.db2.gz QHNDVPABAYVFHQ-SSDOTTSWSA-N 1 2 243.694 1.559 20 30 BDEDLO NC(Cc1cccnc1)=[NH+]OCc1ccccn1 ZINC000120297510 589401231 /nfs/dbraw/zinc/40/12/31/589401231.db2.gz RHKPJTDWXIEBGG-UHFFFAOYSA-N 1 2 242.282 1.508 20 30 BDEDLO C[C@@H](C#N)NC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000865028114 589405477 /nfs/dbraw/zinc/40/54/77/589405477.db2.gz CVAJGNRSWQOFJC-QMMMGPOBSA-N 1 2 246.245 1.044 20 30 BDEDLO C#CCC[NH+]1CCN(C(=O)/C(F)=C\CC)CC1 ZINC000865084985 589406279 /nfs/dbraw/zinc/40/62/79/589406279.db2.gz JOTJXARIXIYTEJ-WUXMJOGZSA-N 1 2 238.306 1.417 20 30 BDEDLO Cn1cc(C(=O)/C=C\c2cn(C3CC3)c[nH+]2)cn1 ZINC000865217943 589414488 /nfs/dbraw/zinc/41/44/88/589414488.db2.gz KHSHVFRMIFDNRJ-DJWKRKHSSA-N 1 2 242.282 1.848 20 30 BDEDLO Cc1c[nH+]ccc1NC(=O)[C@]1(C#N)CCCOC1 ZINC000865575382 589448131 /nfs/dbraw/zinc/44/81/31/589448131.db2.gz PEWQONUNYMRONJ-ZDUSSCGKSA-N 1 2 245.282 1.071 20 30 BDEDLO C#CCC[C@H](O)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865755931 589461088 /nfs/dbraw/zinc/46/10/88/589461088.db2.gz RECJDXMEXSVFRY-ZDUSSCGKSA-N 1 2 247.342 1.861 20 30 BDEDLO C[C@H]([NH2+]CCN(C)C)c1cccc(C#N)c1O ZINC000866356720 589488044 /nfs/dbraw/zinc/48/80/44/589488044.db2.gz OOFYNOPBZPSHRD-JTQLQIEISA-N 1 2 233.315 1.476 20 30 BDEDLO C=CCN(C)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867530877 589524392 /nfs/dbraw/zinc/52/43/92/589524392.db2.gz IBWIVVSHAQOBNQ-JTQLQIEISA-N 1 2 246.301 1.608 20 30 BDEDLO C=CCN(C)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867530877 589524394 /nfs/dbraw/zinc/52/43/94/589524394.db2.gz IBWIVVSHAQOBNQ-JTQLQIEISA-N 1 2 246.301 1.608 20 30 BDEDLO C=CC[N@@H+](CCOC(C)(C)C)CC(=O)OCC ZINC000122168471 589560220 /nfs/dbraw/zinc/56/02/20/589560220.db2.gz YLICPJRZLPCMCL-UHFFFAOYSA-N 1 2 243.347 1.853 20 30 BDEDLO C=CC[N@H+](CCOC(C)(C)C)CC(=O)OCC ZINC000122168471 589560221 /nfs/dbraw/zinc/56/02/21/589560221.db2.gz YLICPJRZLPCMCL-UHFFFAOYSA-N 1 2 243.347 1.853 20 30 BDEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000869244686 589593901 /nfs/dbraw/zinc/59/39/01/589593901.db2.gz ZAEZHOANBZOPIY-ZYHUDNBSSA-N 1 2 249.314 1.258 20 30 BDEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccnn1C ZINC000871925623 589833010 /nfs/dbraw/zinc/83/30/10/589833010.db2.gz CZZCTDSPFQXXFQ-WDEREUQCSA-N 1 2 231.303 1.514 20 30 BDEDLO C#CCc1c(C)nn(-c2[nH+]ccn2C)c1C ZINC000871961172 589846128 /nfs/dbraw/zinc/84/61/28/589846128.db2.gz NISOBSLTECOHSM-UHFFFAOYSA-N 1 2 214.272 1.398 20 30 BDEDLO N#CCC[NH2+]Cc1noc2cc(F)ccc21 ZINC000872240051 589898741 /nfs/dbraw/zinc/89/87/41/589898741.db2.gz UXYQFFITDUJLCT-UHFFFAOYSA-N 1 2 219.219 1.970 20 30 BDEDLO CCCCNN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872343204 589915140 /nfs/dbraw/zinc/91/51/40/589915140.db2.gz RMGPAKWRJLHDBZ-UHFFFAOYSA-N 1 2 217.276 1.633 20 30 BDEDLO CC(C)CON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872359545 589918569 /nfs/dbraw/zinc/91/85/69/589918569.db2.gz IOALOVMUFORULY-UHFFFAOYSA-N 1 2 218.260 1.916 20 30 BDEDLO C=CC[N@@H+](C)CN1CCC2(CCC2)C1=O ZINC000872599629 589955179 /nfs/dbraw/zinc/95/51/79/589955179.db2.gz ALNOVBBTIOQKGK-UHFFFAOYSA-N 1 2 208.305 1.464 20 30 BDEDLO C=CC[N@H+](C)CN1CCC2(CCC2)C1=O ZINC000872599629 589955182 /nfs/dbraw/zinc/95/51/82/589955182.db2.gz ALNOVBBTIOQKGK-UHFFFAOYSA-N 1 2 208.305 1.464 20 30 BDEDLO C#C[C@H](C)[N@@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872601263 589955872 /nfs/dbraw/zinc/95/58/72/589955872.db2.gz ODVUCGWKHIMCKY-LBPRGKRZSA-N 1 2 234.343 1.690 20 30 BDEDLO C#C[C@H](C)[N@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872601263 589955868 /nfs/dbraw/zinc/95/58/68/589955868.db2.gz ODVUCGWKHIMCKY-LBPRGKRZSA-N 1 2 234.343 1.690 20 30 BDEDLO CC1(F)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000872690889 589961986 /nfs/dbraw/zinc/96/19/86/589961986.db2.gz OVDANRNREPOQKU-UHFFFAOYSA-N 1 2 249.289 1.501 20 30 BDEDLO C#CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000873821801 590072329 /nfs/dbraw/zinc/07/23/29/590072329.db2.gz QFIQJQPJIOFYQQ-NSHDSACASA-N 1 2 219.288 1.220 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000874862078 590150093 /nfs/dbraw/zinc/15/00/93/590150093.db2.gz TYSRFGKDGTVCNF-HAQNSBGRSA-N 1 2 245.326 1.569 20 30 BDEDLO C#C[C@H]1CC[C@H](NC(=O)Cc2[nH+]c[nH]c2C)CC1 ZINC000874862078 590150095 /nfs/dbraw/zinc/15/00/95/590150095.db2.gz TYSRFGKDGTVCNF-HAQNSBGRSA-N 1 2 245.326 1.569 20 30 BDEDLO C#CCOCCC(=O)Nc1c[nH+]ccc1OC ZINC000125456340 590165079 /nfs/dbraw/zinc/16/50/79/590165079.db2.gz GDSWFLHKDILGII-UHFFFAOYSA-N 1 2 234.255 1.069 20 30 BDEDLO C=CC[C@H]([NH2+]Cc1ncnn1C)c1ccncc1 ZINC000877046990 590274472 /nfs/dbraw/zinc/27/44/72/590274472.db2.gz WDGVHYJTPJHGGZ-LBPRGKRZSA-N 1 2 243.314 1.617 20 30 BDEDLO C=CC[N@@H+](C)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877426643 590325283 /nfs/dbraw/zinc/32/52/83/590325283.db2.gz NZEJAQHLDKJCFO-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CC[N@H+](C)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877426643 590325286 /nfs/dbraw/zinc/32/52/86/590325286.db2.gz NZEJAQHLDKJCFO-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO C#CCCOc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000877580697 590365681 /nfs/dbraw/zinc/36/56/81/590365681.db2.gz HAUWKGNDLXHRTH-UHFFFAOYSA-N 1 2 245.322 1.655 20 30 BDEDLO C#CC[C@@H]([NH2+]Cc1ccc(C)cc1O)C(=O)OC ZINC000877583002 590367083 /nfs/dbraw/zinc/36/70/83/590367083.db2.gz JXKGZPJLLFOGJX-GFCCVEGCSA-N 1 2 247.294 1.355 20 30 BDEDLO C#CC[C@@H]([NH2+]CC1CCSCC1)C(=O)OC ZINC000877583337 590367241 /nfs/dbraw/zinc/36/72/41/590367241.db2.gz OXSOFDWKUCDTSB-LLVKDONJSA-N 1 2 241.356 1.284 20 30 BDEDLO C#CC[N@@H+](CC)Cc1nccn1CC(F)F ZINC000878166750 590514117 /nfs/dbraw/zinc/51/41/17/590514117.db2.gz DSHZIANJSNUEHN-UHFFFAOYSA-N 1 2 227.258 1.603 20 30 BDEDLO C#CC[N@H+](CC)Cc1nccn1CC(F)F ZINC000878166750 590514118 /nfs/dbraw/zinc/51/41/18/590514118.db2.gz DSHZIANJSNUEHN-UHFFFAOYSA-N 1 2 227.258 1.603 20 30 BDEDLO C#CCN(CC)Cc1[nH+]ccn1CC(F)F ZINC000878166750 590514119 /nfs/dbraw/zinc/51/41/19/590514119.db2.gz DSHZIANJSNUEHN-UHFFFAOYSA-N 1 2 227.258 1.603 20 30 BDEDLO C=CC[C@H](C(=O)OC)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000878321375 590545343 /nfs/dbraw/zinc/54/53/43/590545343.db2.gz PERMCFBZARELDP-SECBINFHSA-N 1 2 245.269 1.835 20 30 BDEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(C)(C#N)CC1 ZINC000878389644 590558788 /nfs/dbraw/zinc/55/87/88/590558788.db2.gz PDPAEILKMJNOBP-LLVKDONJSA-N 1 2 236.315 1.730 20 30 BDEDLO CC[C@H](C)[C@@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000878416365 590563781 /nfs/dbraw/zinc/56/37/81/590563781.db2.gz IZWOZYOIPIPFGY-WDEREUQCSA-N 1 2 238.331 1.858 20 30 BDEDLO C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622352 590596816 /nfs/dbraw/zinc/59/68/16/590596816.db2.gz NRUDVDBMRVHHNW-ZJUUUORDSA-N 1 2 236.319 1.654 20 30 BDEDLO C=CC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622352 590596817 /nfs/dbraw/zinc/59/68/17/590596817.db2.gz NRUDVDBMRVHHNW-ZJUUUORDSA-N 1 2 236.319 1.654 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](F)C1 ZINC000878663928 590605222 /nfs/dbraw/zinc/60/52/22/590605222.db2.gz UDUBKWPCUPUXLI-RKDXNWHRSA-N 1 2 201.241 1.148 20 30 BDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](F)C1 ZINC000878663928 590605224 /nfs/dbraw/zinc/60/52/24/590605224.db2.gz UDUBKWPCUPUXLI-RKDXNWHRSA-N 1 2 201.241 1.148 20 30 BDEDLO C#CCCCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726680 590617056 /nfs/dbraw/zinc/61/70/56/590617056.db2.gz UDDQUGLQLSSUJJ-UHFFFAOYSA-N 1 2 223.276 1.401 20 30 BDEDLO C#CCCCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726680 590617058 /nfs/dbraw/zinc/61/70/58/590617058.db2.gz UDDQUGLQLSSUJJ-UHFFFAOYSA-N 1 2 223.276 1.401 20 30 BDEDLO COc1ccc2nc(C[NH2+][C@@H](C)CC#N)[nH]c2n1 ZINC000878820907 590627601 /nfs/dbraw/zinc/62/76/01/590627601.db2.gz QJOLAVOYJNYJDX-QMMMGPOBSA-N 1 2 245.286 1.358 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878946898 590657926 /nfs/dbraw/zinc/65/79/26/590657926.db2.gz QVIHEHDGBCVWEO-MRVPVSSYSA-N 1 2 242.710 1.584 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878946898 590657929 /nfs/dbraw/zinc/65/79/29/590657929.db2.gz QVIHEHDGBCVWEO-MRVPVSSYSA-N 1 2 242.710 1.584 20 30 BDEDLO C#CC1(F)CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000879070851 590692486 /nfs/dbraw/zinc/69/24/86/590692486.db2.gz PDBPBPQPRHWFNV-UHFFFAOYSA-N 1 2 233.246 1.001 20 30 BDEDLO COC(=O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433371 590767798 /nfs/dbraw/zinc/76/77/98/590767798.db2.gz XUPLPNQDMIASFL-UHFFFAOYSA-N 1 2 232.283 1.206 20 30 BDEDLO COC(=O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433371 590767801 /nfs/dbraw/zinc/76/78/01/590767801.db2.gz XUPLPNQDMIASFL-UHFFFAOYSA-N 1 2 232.283 1.206 20 30 BDEDLO N#Cc1csc(C[NH+]2CCC(F)CC2)n1 ZINC000880239736 590972536 /nfs/dbraw/zinc/97/25/36/590972536.db2.gz ORBHOPMTRBBPBJ-UHFFFAOYSA-N 1 2 225.292 1.949 20 30 BDEDLO CC#CC[NH2+]C1(c2ncccn2)CCC1 ZINC000880365843 591010207 /nfs/dbraw/zinc/01/02/07/591010207.db2.gz SCZVNTMLNSQHCV-UHFFFAOYSA-N 1 2 201.273 1.469 20 30 BDEDLO C[C@@H]1c2sccc2CC[N@H+]1CC(=O)NCC#N ZINC000880377675 591015147 /nfs/dbraw/zinc/01/51/47/591015147.db2.gz BYCLETPAWFGVGU-SECBINFHSA-N 1 2 249.339 1.307 20 30 BDEDLO C[C@@H]1c2sccc2CC[N@@H+]1CC(=O)NCC#N ZINC000880377675 591015151 /nfs/dbraw/zinc/01/51/51/591015151.db2.gz BYCLETPAWFGVGU-SECBINFHSA-N 1 2 249.339 1.307 20 30 BDEDLO COc1cccc2c1CC[C@]2(CO)[NH2+]CCC#N ZINC000880379418 591018283 /nfs/dbraw/zinc/01/82/83/591018283.db2.gz BFCJQFQGHSDJHV-CQSZACIVSA-N 1 2 246.310 1.332 20 30 BDEDLO N#Cc1ccc(C[N@H+]2CC=C[C@@H]2CO)c(Cl)c1 ZINC000880488277 591064415 /nfs/dbraw/zinc/06/44/15/591064415.db2.gz BIJNEQSWSFQAOX-GFCCVEGCSA-N 1 2 248.713 1.944 20 30 BDEDLO N#Cc1ccc(C[N@@H+]2CC=C[C@@H]2CO)c(Cl)c1 ZINC000880488277 591064417 /nfs/dbraw/zinc/06/44/17/591064417.db2.gz BIJNEQSWSFQAOX-GFCCVEGCSA-N 1 2 248.713 1.944 20 30 BDEDLO CCC#C[C@H](C)[N@@H+]1CCc2ncncc2C1 ZINC000880596782 591106317 /nfs/dbraw/zinc/10/63/17/591106317.db2.gz AHNCTHCVAPPHNC-NSHDSACASA-N 1 2 215.300 1.637 20 30 BDEDLO CCC#C[C@H](C)[N@H+]1CCc2ncncc2C1 ZINC000880596782 591106318 /nfs/dbraw/zinc/10/63/18/591106318.db2.gz AHNCTHCVAPPHNC-NSHDSACASA-N 1 2 215.300 1.637 20 30 BDEDLO C#CCC1(O)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000882967455 591487554 /nfs/dbraw/zinc/48/75/54/591487554.db2.gz HPFAHLOVXXRYBE-UHFFFAOYSA-N 1 2 231.299 1.140 20 30 BDEDLO C=C(C)C[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000883005679 591505683 /nfs/dbraw/zinc/50/56/83/591505683.db2.gz VGRDJGLQOBOZFU-NSHDSACASA-N 1 2 222.288 1.313 20 30 BDEDLO C=C(C)C[C@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000883005033 591506601 /nfs/dbraw/zinc/50/66/01/591506601.db2.gz CWSMCRXXIUOECK-LLVKDONJSA-N 1 2 221.304 1.778 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)C(CC=C)CC=C)CC1 ZINC000133281272 591784680 /nfs/dbraw/zinc/78/46/80/591784680.db2.gz PBAPNMHBXBJQPO-UHFFFAOYSA-N 1 2 246.354 1.532 20 30 BDEDLO C#CC[NH+]1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC000134986006 591968123 /nfs/dbraw/zinc/96/81/23/591968123.db2.gz VLPKQICEXPWMHQ-CQSZACIVSA-N 1 2 234.343 1.366 20 30 BDEDLO C#CC1CCN(c2cc[nH+]c(CC)n2)CC1 ZINC000884542829 591973547 /nfs/dbraw/zinc/97/35/47/591973547.db2.gz NQKCZXBRVHZHSI-UHFFFAOYSA-N 1 2 215.300 1.889 20 30 BDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886243379 592183434 /nfs/dbraw/zinc/18/34/34/592183434.db2.gz XONLPUZUJXMMNE-MGPQQGTHSA-N 1 2 235.327 1.278 20 30 BDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886243379 592183435 /nfs/dbraw/zinc/18/34/35/592183435.db2.gz XONLPUZUJXMMNE-MGPQQGTHSA-N 1 2 235.327 1.278 20 30 BDEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000886355838 592216082 /nfs/dbraw/zinc/21/60/82/592216082.db2.gz ONJDVXITEKBFNC-JTQLQIEISA-N 1 2 205.261 1.223 20 30 BDEDLO C#CC[C@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000886355838 592216083 /nfs/dbraw/zinc/21/60/83/592216083.db2.gz ONJDVXITEKBFNC-JTQLQIEISA-N 1 2 205.261 1.223 20 30 BDEDLO C#CCC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC000886653454 592290182 /nfs/dbraw/zinc/29/01/82/592290182.db2.gz OPNHETAZHBTYFN-UHFFFAOYSA-N 1 2 245.326 1.726 20 30 BDEDLO N#CCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886793439 592325396 /nfs/dbraw/zinc/32/53/96/592325396.db2.gz KNVOVBCGLPFMIA-QMMMGPOBSA-N 1 2 222.210 1.147 20 30 BDEDLO N#CCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886793439 592325400 /nfs/dbraw/zinc/32/54/00/592325400.db2.gz KNVOVBCGLPFMIA-QMMMGPOBSA-N 1 2 222.210 1.147 20 30 BDEDLO C=C(C)C[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886950509 592401114 /nfs/dbraw/zinc/40/11/14/592401114.db2.gz MNIBYVILZAMCKM-GHMZBOCLSA-N 1 2 227.304 1.263 20 30 BDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)C(=O)OC ZINC000887310562 592479474 /nfs/dbraw/zinc/47/94/74/592479474.db2.gz JPVWHTLQWSJMKR-DLOVCJGASA-N 1 2 241.331 1.507 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC1 ZINC001027708972 635122696 /nfs/dbraw/zinc/12/26/96/635122696.db2.gz ZUMOGSPNNGSUDF-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CC1 ZINC001027708972 635122697 /nfs/dbraw/zinc/12/26/97/635122697.db2.gz ZUMOGSPNNGSUDF-NSHDSACASA-N 1 2 242.750 1.730 20 30 BDEDLO N#CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000336665972 635199803 /nfs/dbraw/zinc/19/98/03/635199803.db2.gz FCXURYNVDDTQIA-JTQLQIEISA-N 1 2 237.328 1.998 20 30 BDEDLO Cc1nc(C#N)cc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000308329404 631225545 /nfs/dbraw/zinc/22/55/45/631225545.db2.gz JMNISHYHEKWBHM-VIFPVBQESA-N 1 2 242.286 1.354 20 30 BDEDLO COC[C@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000933328226 631261411 /nfs/dbraw/zinc/26/14/11/631261411.db2.gz VRDRSEHPQNAFIB-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO COC[C@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000933328226 631261417 /nfs/dbraw/zinc/26/14/17/631261417.db2.gz VRDRSEHPQNAFIB-NSHDSACASA-N 1 2 224.304 1.027 20 30 BDEDLO C#CCCCCNC(=O)NCc1c[nH+]cn1C ZINC000290635642 631409967 /nfs/dbraw/zinc/40/99/67/631409967.db2.gz DFHGVWKBICTBPL-UHFFFAOYSA-N 1 2 234.303 1.023 20 30 BDEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(CC)[nH]1 ZINC000934462359 631854078 /nfs/dbraw/zinc/85/40/78/631854078.db2.gz TWPWZCVEVQBHRS-SECBINFHSA-N 1 2 206.293 1.518 20 30 BDEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(CC)[nH]1 ZINC000934462359 631854084 /nfs/dbraw/zinc/85/40/84/631854084.db2.gz TWPWZCVEVQBHRS-SECBINFHSA-N 1 2 206.293 1.518 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1Cc1nn(CC)nc1C ZINC000934461429 631857319 /nfs/dbraw/zinc/85/73/19/631857319.db2.gz XWPYUUSJJVMALW-NSHDSACASA-N 1 2 220.320 1.757 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1Cc1nn(CC)nc1C ZINC000934461429 631857323 /nfs/dbraw/zinc/85/73/23/631857323.db2.gz XWPYUUSJJVMALW-NSHDSACASA-N 1 2 220.320 1.757 20 30 BDEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000934471993 631865670 /nfs/dbraw/zinc/86/56/70/631865670.db2.gz XULOOPXSJFNXLW-QWRGUYRKSA-N 1 2 249.314 1.960 20 30 BDEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000934471993 631865672 /nfs/dbraw/zinc/86/56/72/631865672.db2.gz XULOOPXSJFNXLW-QWRGUYRKSA-N 1 2 249.314 1.960 20 30 BDEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC000934512210 631895238 /nfs/dbraw/zinc/89/52/38/631895238.db2.gz GSGWWBDEPNYHBJ-NSHDSACASA-N 1 2 247.294 1.636 20 30 BDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC000934512210 631895242 /nfs/dbraw/zinc/89/52/42/631895242.db2.gz GSGWWBDEPNYHBJ-NSHDSACASA-N 1 2 247.294 1.636 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1ncc(C)s1)[C@H]1CCCO1 ZINC000309701222 632654039 /nfs/dbraw/zinc/65/40/39/632654039.db2.gz MQRFYYATIFJNJI-GHMZBOCLSA-N 1 2 236.340 1.722 20 30 BDEDLO C#CC[C@@H]([NH2+]C1CC2(C1)CCCC2)C(=O)OC ZINC000894857593 635956096 /nfs/dbraw/zinc/95/60/96/635956096.db2.gz CIRYMVPASVQYGJ-GFCCVEGCSA-N 1 2 235.327 1.864 20 30 BDEDLO C#CCOc1ccccc1C[NH2+]CCC#N ZINC000020200092 633810340 /nfs/dbraw/zinc/81/03/40/633810340.db2.gz KGNDTVHCHVEQEN-UHFFFAOYSA-N 1 2 214.268 1.702 20 30 BDEDLO C=CCCO[NH+]=C(N)Cc1cccnc1 ZINC000179921691 633875334 /nfs/dbraw/zinc/87/53/34/633875334.db2.gz OMAYRRKOUDGYBJ-UHFFFAOYSA-N 1 2 205.261 1.489 20 30 BDEDLO CNc1cc(N2CCC[C@H](CC#N)C2)nc[nH+]1 ZINC000258729239 635193297 /nfs/dbraw/zinc/19/32/97/635193297.db2.gz MRRIOTCKNIPVFS-SNVBAGLBSA-N 1 2 231.303 1.648 20 30 BDEDLO CNc1cc(N2CCC[C@H](CC#N)C2)[nH+]cn1 ZINC000258729239 635193300 /nfs/dbraw/zinc/19/33/00/635193300.db2.gz MRRIOTCKNIPVFS-SNVBAGLBSA-N 1 2 231.303 1.648 20 30 BDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C)co2)CC1 ZINC000981791972 635394819 /nfs/dbraw/zinc/39/48/19/635394819.db2.gz AIWOWIKGTWAZSE-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C)co2)CC1 ZINC000981791972 635394826 /nfs/dbraw/zinc/39/48/26/635394826.db2.gz AIWOWIKGTWAZSE-UHFFFAOYSA-N 1 2 246.310 1.369 20 30 BDEDLO CC(C)N(C)c1ccc(C[NH2+]CCC#N)cn1 ZINC000426005930 635664054 /nfs/dbraw/zinc/66/40/54/635664054.db2.gz UWEUSLWAHFEJSU-UHFFFAOYSA-N 1 2 232.331 1.929 20 30 BDEDLO C#CCN(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000928624441 636215820 /nfs/dbraw/zinc/21/58/20/636215820.db2.gz HKFXKCQNVNSSLK-UHFFFAOYSA-N 1 2 219.288 1.213 20 30 BDEDLO C=C1CC(C)(C(=O)NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000896908107 636251331 /nfs/dbraw/zinc/25/13/31/636251331.db2.gz VGWDTZFIHMVLMU-UHFFFAOYSA-N 1 2 233.315 1.999 20 30 BDEDLO C=CCNC(=O)c1cccc2[nH+]ccn21 ZINC000082299461 636869375 /nfs/dbraw/zinc/86/93/75/636869375.db2.gz UHVAQBQENKDVAJ-UHFFFAOYSA-N 1 2 201.229 1.250 20 30 BDEDLO C=CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000898662448 637052254 /nfs/dbraw/zinc/05/22/54/637052254.db2.gz RRCJDGFXODLSDR-UHFFFAOYSA-N 1 2 221.304 1.619 20 30 BDEDLO CC(C)(CNC(=O)CCCC#N)n1cc[nH+]c1 ZINC000898909828 637064019 /nfs/dbraw/zinc/06/40/19/637064019.db2.gz VWVSDKLOGCUOSP-UHFFFAOYSA-N 1 2 234.303 1.428 20 30 BDEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ncnn2[C@H]1C ZINC000905085746 637584328 /nfs/dbraw/zinc/58/43/28/637584328.db2.gz PARWWPSTCNPGKF-JVVDXDAESA-N 1 2 243.270 1.335 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)C(=O)OC ZINC000905779239 637908129 /nfs/dbraw/zinc/90/81/29/637908129.db2.gz VIODQOCUMCETAT-GUBZILKMSA-N 1 2 229.345 1.588 20 30 BDEDLO C=CC[C@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000905761013 637916242 /nfs/dbraw/zinc/91/62/42/637916242.db2.gz AFCDKSJOCPKJNG-IUCAKERBSA-N 1 2 215.318 1.199 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H](C)CSC)C(=O)OC ZINC000905761224 637916675 /nfs/dbraw/zinc/91/66/75/637916675.db2.gz NBHKQYVOXJNNIC-DTWKUNHWSA-N 1 2 217.334 1.445 20 30 BDEDLO C=CC[C@H]([NH2+]CC[C@H]1CCCCO1)C(=O)OC ZINC000905763855 637918518 /nfs/dbraw/zinc/91/85/18/637918518.db2.gz SSOWWXWHVJMACQ-NEPJUHHUSA-N 1 2 241.331 1.653 20 30 BDEDLO C=CC[C@H]([NH2+]CC(C)(C)OCC)C(=O)OC ZINC000905763994 637918675 /nfs/dbraw/zinc/91/86/75/637918675.db2.gz FMOPALSMOOULPM-JTQLQIEISA-N 1 2 229.320 1.509 20 30 BDEDLO C=CC[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000905763865 637919226 /nfs/dbraw/zinc/91/92/26/637919226.db2.gz SUYZQJOYNBBQGP-SNVBAGLBSA-N 1 2 227.304 1.263 20 30 BDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000905765469 637920451 /nfs/dbraw/zinc/92/04/51/637920451.db2.gz DJUYDOAXUUBWFD-RKDXNWHRSA-N 1 2 233.258 1.882 20 30 BDEDLO C=C(C)COCC[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000905766565 637921238 /nfs/dbraw/zinc/92/12/38/637921238.db2.gz JCVSOYNXTFNDBR-NWDGAFQWSA-N 1 2 243.347 1.756 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000905770006 637925194 /nfs/dbraw/zinc/92/51/94/637925194.db2.gz LHGZLYKUZGQBHY-WDEREUQCSA-N 1 2 227.304 1.119 20 30 BDEDLO C=CC[C@H]([NH2+]C[C@H](OC)[C@@H](C)CC)C(=O)OC ZINC000905769616 637925719 /nfs/dbraw/zinc/92/57/19/637925719.db2.gz HYHXFGVISGUBJN-SRVKXCTJSA-N 1 2 243.347 1.755 20 30 BDEDLO C=CC[C@@H]([NH2+]CC(C)(C)COC)C(=O)OC ZINC000905772427 637926406 /nfs/dbraw/zinc/92/64/06/637926406.db2.gz YSBQHGFIPVDAOB-SNVBAGLBSA-N 1 2 229.320 1.366 20 30 BDEDLO C=CCC[N@@H+](C)Cc1cn(CCC(C)=O)nn1 ZINC000906292653 638135120 /nfs/dbraw/zinc/13/51/20/638135120.db2.gz HYRVFRAXYNIBFQ-UHFFFAOYSA-N 1 2 236.319 1.265 20 30 BDEDLO C=CCC[N@H+](C)Cc1cn(CCC(C)=O)nn1 ZINC000906292653 638135125 /nfs/dbraw/zinc/13/51/25/638135125.db2.gz HYRVFRAXYNIBFQ-UHFFFAOYSA-N 1 2 236.319 1.265 20 30 BDEDLO C=C[C@H](CC)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000906634456 638229670 /nfs/dbraw/zinc/22/96/70/638229670.db2.gz BHPIKONNGGEVSH-SNVBAGLBSA-N 1 2 233.315 1.882 20 30 BDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907949800 638519304 /nfs/dbraw/zinc/51/93/04/638519304.db2.gz ZUNPEHUUJBTRGX-MFKMUULPSA-N 1 2 249.314 1.050 20 30 BDEDLO C#CC[C@@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908311223 638634203 /nfs/dbraw/zinc/63/42/03/638634203.db2.gz RAUQUZQUHQJHAC-LBPRGKRZSA-N 1 2 246.310 1.121 20 30 BDEDLO C[C@H](C#N)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930486321 639779107 /nfs/dbraw/zinc/77/91/07/639779107.db2.gz NHJHPOJHFBFVIK-SECBINFHSA-N 1 2 242.282 1.795 20 30 BDEDLO CCCCCCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930729498 639882408 /nfs/dbraw/zinc/88/24/08/639882408.db2.gz JMLBTWCMBUOAKE-UHFFFAOYSA-N 1 2 248.392 1.320 20 30 BDEDLO COC(=O)c1cncc(C[NH2+][C@@H](C)CC#N)c1 ZINC000930867081 639959858 /nfs/dbraw/zinc/95/98/58/639959858.db2.gz FVBISBOUSONVFL-VIFPVBQESA-N 1 2 233.271 1.260 20 30 BDEDLO N#Cc1cc(N2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000912161533 639983117 /nfs/dbraw/zinc/98/31/17/639983117.db2.gz NYCJNEBCSPPJKT-UHFFFAOYSA-N 1 2 225.255 1.239 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931933547 640393496 /nfs/dbraw/zinc/39/34/96/640393496.db2.gz LMVYKTJDBLXYQB-SECBINFHSA-N 1 2 227.695 1.920 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931933547 640393501 /nfs/dbraw/zinc/39/35/01/640393501.db2.gz LMVYKTJDBLXYQB-SECBINFHSA-N 1 2 227.695 1.920 20 30 BDEDLO CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932149943 640433491 /nfs/dbraw/zinc/43/34/91/640433491.db2.gz NILIBYFPPIFSCF-NSHDSACASA-N 1 2 224.304 1.564 20 30 BDEDLO CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932149943 640433498 /nfs/dbraw/zinc/43/34/98/640433498.db2.gz NILIBYFPPIFSCF-NSHDSACASA-N 1 2 224.304 1.564 20 30 BDEDLO C=C(Br)C[NH2+]Cc1cc(C)no1 ZINC000044991342 640480850 /nfs/dbraw/zinc/48/08/50/640480850.db2.gz UXYDEXCJDGVFSA-UHFFFAOYSA-N 1 2 231.093 1.981 20 30 BDEDLO C#CC[N@H+](Cc1cn(CC2CC2)nn1)C(C)C ZINC000932387300 640515658 /nfs/dbraw/zinc/51/56/58/640515658.db2.gz FVHRWQLWLBCXCF-UHFFFAOYSA-N 1 2 232.331 1.532 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CC2CC2)nn1)C(C)C ZINC000932387300 640515660 /nfs/dbraw/zinc/51/56/60/640515660.db2.gz FVHRWQLWLBCXCF-UHFFFAOYSA-N 1 2 232.331 1.532 20 30 BDEDLO C#C[C@@H](C)[NH2+]Cc1ccoc1C(=O)OC ZINC000166478970 640643005 /nfs/dbraw/zinc/64/30/05/640643005.db2.gz IVCXAIZTMREBDO-MRVPVSSYSA-N 1 2 207.229 1.178 20 30 BDEDLO C=CC[N@H+]1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 ZINC000933196289 640677104 /nfs/dbraw/zinc/67/71/04/640677104.db2.gz ASUWAHWHVMUTLC-YNEHKIRRSA-N 1 2 241.331 1.067 20 30 BDEDLO C=CC[N@@H+]1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 ZINC000933196289 640677107 /nfs/dbraw/zinc/67/71/07/640677107.db2.gz ASUWAHWHVMUTLC-YNEHKIRRSA-N 1 2 241.331 1.067 20 30 BDEDLO C=C(Cl)C[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933228827 640687169 /nfs/dbraw/zinc/68/71/69/640687169.db2.gz UIOUKKFUPLKIGJ-VIFPVBQESA-N 1 2 216.712 1.339 20 30 BDEDLO C=C(Cl)C[N@H+]1CCCNC(=O)[C@@H]1CC ZINC000933228827 640687174 /nfs/dbraw/zinc/68/71/74/640687174.db2.gz UIOUKKFUPLKIGJ-VIFPVBQESA-N 1 2 216.712 1.339 20 30 BDEDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000933333293 640705898 /nfs/dbraw/zinc/70/58/98/640705898.db2.gz HHGRNTIBYHTCOK-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO COC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000933333293 640705901 /nfs/dbraw/zinc/70/59/01/640705901.db2.gz HHGRNTIBYHTCOK-CQSZACIVSA-N 1 2 246.310 1.405 20 30 BDEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933539416 640724287 /nfs/dbraw/zinc/72/42/87/640724287.db2.gz RAHZXEFIYURPGK-CYBMUJFWSA-N 1 2 233.315 1.207 20 30 BDEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933539416 640724290 /nfs/dbraw/zinc/72/42/90/640724290.db2.gz RAHZXEFIYURPGK-CYBMUJFWSA-N 1 2 233.315 1.207 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C2CCC2)C1 ZINC001030506388 640889356 /nfs/dbraw/zinc/88/93/56/640889356.db2.gz JOJOQJLRFOIYGH-LLVKDONJSA-N 1 2 236.359 1.799 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]c(C)cc2C)C1 ZINC001030535233 640899637 /nfs/dbraw/zinc/89/96/37/640899637.db2.gz MRPKFPVUMDHQIN-UHFFFAOYSA-N 1 2 247.342 1.622 20 30 BDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](OC)C2)nn1 ZINC000846811381 641175871 /nfs/dbraw/zinc/17/58/71/641175871.db2.gz LDTQUPVQKICSAQ-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](OC)C2)nn1 ZINC000846811381 641175876 /nfs/dbraw/zinc/17/58/76/641175876.db2.gz LDTQUPVQKICSAQ-GFCCVEGCSA-N 1 2 236.319 1.075 20 30 BDEDLO N#CCC1(C[N@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC000934568037 641198734 /nfs/dbraw/zinc/19/87/34/641198734.db2.gz SKDIJWLBVRPIDI-UWVGGRQHSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CCC1(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC000934568037 641198743 /nfs/dbraw/zinc/19/87/43/641198743.db2.gz SKDIJWLBVRPIDI-UWVGGRQHSA-N 1 2 212.268 1.085 20 30 BDEDLO N#CC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837821 641286010 /nfs/dbraw/zinc/28/60/10/641286010.db2.gz WULQYZJFKZMFAD-NEPJUHHUSA-N 1 2 208.305 1.649 20 30 BDEDLO N#CC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837821 641286012 /nfs/dbraw/zinc/28/60/12/641286012.db2.gz WULQYZJFKZMFAD-NEPJUHHUSA-N 1 2 208.305 1.649 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC001030807758 641360901 /nfs/dbraw/zinc/36/09/01/641360901.db2.gz SOQCDEJUADITIA-OLZOCXBDSA-N 1 2 248.370 1.636 20 30 BDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC001030807040 641361051 /nfs/dbraw/zinc/36/10/51/641361051.db2.gz KKZGLYAEZSYAOK-NEPJUHHUSA-N 1 2 236.359 1.799 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001030813020 641363810 /nfs/dbraw/zinc/36/38/10/641363810.db2.gz GGQXFPPMKRBBAX-GFCCVEGCSA-N 1 2 234.343 1.246 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001030812541 641363825 /nfs/dbraw/zinc/36/38/25/641363825.db2.gz QRRIHVINOAQGKU-LBPRGKRZSA-N 1 2 236.359 1.799 20 30 BDEDLO C=CC1CC[NH+](Cc2nncs2)CC1 ZINC000929617018 641377789 /nfs/dbraw/zinc/37/77/89/641377789.db2.gz BBQUHVOSDCXZIG-UHFFFAOYSA-N 1 2 209.318 1.936 20 30 BDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923359 641503373 /nfs/dbraw/zinc/50/33/73/641503373.db2.gz QKXSKCQXBUUXSS-VXGBXAGGSA-N 1 2 247.342 1.916 20 30 BDEDLO C=C[C@@H](CC)CC(=O)NCc1c[nH+]cn1C ZINC000936024113 641520517 /nfs/dbraw/zinc/52/05/17/641520517.db2.gz GCQNXEYFJFJLNA-JTQLQIEISA-N 1 2 221.304 1.639 20 30 BDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001031168217 641762450 /nfs/dbraw/zinc/76/24/50/641762450.db2.gz MCUVXGIRHMHTSI-STQMWFEESA-N 1 2 234.343 1.102 20 30 BDEDLO CN(C)C(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000914794860 641768472 /nfs/dbraw/zinc/76/84/72/641768472.db2.gz CEUUKVLRGOEFAP-UHFFFAOYSA-N 1 2 231.299 1.392 20 30 BDEDLO NC(=[NH+]OCC[C@@H]1CCCO1)c1ccccc1 ZINC000189165471 641792380 /nfs/dbraw/zinc/79/23/80/641792380.db2.gz FGQXNUAJDPBALX-LBPRGKRZSA-N 1 2 234.299 1.893 20 30 BDEDLO NC(Cc1cccnc1)=[NH+]OCC[C@@H]1CCCO1 ZINC000189321293 641802371 /nfs/dbraw/zinc/80/23/71/641802371.db2.gz BOFNHVGDYOSTKO-LBPRGKRZSA-N 1 2 249.314 1.482 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000949390836 641837069 /nfs/dbraw/zinc/83/70/69/641837069.db2.gz ZLOOUFCBJPCYMD-TZMCWYRMSA-N 1 2 234.343 1.507 20 30 BDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](F)CC)CC1 ZINC000949687107 641855466 /nfs/dbraw/zinc/85/54/66/641855466.db2.gz VQAVHNRKWUJPJS-LLVKDONJSA-N 1 2 228.311 1.455 20 30 BDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC2)C1 ZINC001014536354 642891673 /nfs/dbraw/zinc/89/16/73/642891673.db2.gz ZJUVFCQUCKRYAJ-JTQLQIEISA-N 1 2 242.750 1.730 20 30 BDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC2)C1 ZINC001014536354 642891675 /nfs/dbraw/zinc/89/16/75/642891675.db2.gz ZJUVFCQUCKRYAJ-JTQLQIEISA-N 1 2 242.750 1.730 20 30 BDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001017358259 642974150 /nfs/dbraw/zinc/97/41/50/642974150.db2.gz CPUHOGVIKAWNDT-OKILXGFUSA-N 1 2 248.370 1.731 20 30 BDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001017358259 642974157 /nfs/dbraw/zinc/97/41/57/642974157.db2.gz CPUHOGVIKAWNDT-OKILXGFUSA-N 1 2 248.370 1.731 20 30 BDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CC2)C1 ZINC000969179442 643098517 /nfs/dbraw/zinc/09/85/17/643098517.db2.gz AHHPXDRRYAVUNH-VIFPVBQESA-N 1 2 242.750 1.585 20 30 BDEDLO C#CC[N@@H+](Cc1cn(CC)nn1)C(C)C ZINC000932385401 643198080 /nfs/dbraw/zinc/19/80/80/643198080.db2.gz IETRPKGVEMRJLZ-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#CC[N@H+](Cc1cn(CC)nn1)C(C)C ZINC000932385401 643198083 /nfs/dbraw/zinc/19/80/83/643198083.db2.gz IETRPKGVEMRJLZ-UHFFFAOYSA-N 1 2 206.293 1.142 20 30 BDEDLO C#C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC000890652909 643229689 /nfs/dbraw/zinc/22/96/89/643229689.db2.gz AGSGNWMLOKGHIX-GFCCVEGCSA-N 1 2 245.326 1.367 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001032274033 643425269 /nfs/dbraw/zinc/42/52/69/643425269.db2.gz ZEBYBFSMPILXNF-IHRRRGAJSA-N 1 2 244.338 1.261 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001032274033 643425272 /nfs/dbraw/zinc/42/52/72/643425272.db2.gz ZEBYBFSMPILXNF-IHRRRGAJSA-N 1 2 244.338 1.261 20 30 BDEDLO N#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC000921545175 643595810 /nfs/dbraw/zinc/59/58/10/643595810.db2.gz DOVAEYFSSLIWEO-GFCCVEGCSA-N 1 2 246.314 1.541 20 30 BDEDLO N#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC000921545175 643595817 /nfs/dbraw/zinc/59/58/17/643595817.db2.gz DOVAEYFSSLIWEO-GFCCVEGCSA-N 1 2 246.314 1.541 20 30 BDEDLO CCc1nnc(C[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000922148964 643873922 /nfs/dbraw/zinc/87/39/22/643873922.db2.gz GPJVCRZXHQUYHL-UHFFFAOYSA-N 1 2 247.327 1.590 20 30 BDEDLO C#CCSCC(=O)OCc1ccc[nH+]c1N ZINC000922946352 644198141 /nfs/dbraw/zinc/19/81/41/644198141.db2.gz GCLHPEIKDOWGAT-UHFFFAOYSA-N 1 2 236.296 1.073 20 30 BDEDLO CC(C)C1(O)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000089667593 644559546 /nfs/dbraw/zinc/55/95/46/644559546.db2.gz YFUPOJMNTXTUEI-UHFFFAOYSA-N 1 2 230.311 1.761 20 30 BDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000957060342 644682062 /nfs/dbraw/zinc/68/20/62/644682062.db2.gz JAVSQAYQZBNZOF-CYBMUJFWSA-N 1 2 248.370 1.897 20 30 BDEDLO Cn1ccc(C[NH2+]CC#Cc2ccccc2)n1 ZINC000096731396 644834194 /nfs/dbraw/zinc/83/41/94/644834194.db2.gz ZMTIMCZVHYGFSA-UHFFFAOYSA-N 1 2 225.295 1.561 20 30 BDEDLO Cc1ccc([C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000304817641 644934949 /nfs/dbraw/zinc/93/49/49/644934949.db2.gz ADNIQWPGHKHYQE-ZDUSSCGKSA-N 1 2 218.300 1.874 20 30 BDEDLO Cc1ccc([C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000304817641 644934952 /nfs/dbraw/zinc/93/49/52/644934952.db2.gz ADNIQWPGHKHYQE-ZDUSSCGKSA-N 1 2 218.300 1.874 20 30 BDEDLO C#CCC[N@@H+](CCOC)Cc1cocn1 ZINC000827827456 645086824 /nfs/dbraw/zinc/08/68/24/645086824.db2.gz VLQWEGUCRRLKEZ-UHFFFAOYSA-N 1 2 208.261 1.146 20 30 BDEDLO C#CCC[N@H+](CCOC)Cc1cocn1 ZINC000827827456 645086829 /nfs/dbraw/zinc/08/68/29/645086829.db2.gz VLQWEGUCRRLKEZ-UHFFFAOYSA-N 1 2 208.261 1.146 20 30 BDEDLO CC(C)C#CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000830298448 645118798 /nfs/dbraw/zinc/11/87/98/645118798.db2.gz ZWVOAMINJVYIRQ-UHFFFAOYSA-N 1 2 241.294 1.610 20 30 BDEDLO C#CC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000830351967 645122121 /nfs/dbraw/zinc/12/21/21/645122121.db2.gz XUFSGBZLWZPLHZ-UHFFFAOYSA-N 1 2 246.358 1.947 20 30 BDEDLO C=C[C@@H](C)O[NH+]=C1CCCc2nc(N)ncc21 ZINC000844620560 645343027 /nfs/dbraw/zinc/34/30/27/645343027.db2.gz MCTWJHMQUIAXER-MRVPVSSYSA-N 1 2 232.287 1.690 20 30 BDEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927779254 645658581 /nfs/dbraw/zinc/65/85/81/645658581.db2.gz WZMUMNQYRQZNGT-SNVBAGLBSA-N 1 2 249.314 1.261 20 30 BDEDLO C#CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000862575785 645700831 /nfs/dbraw/zinc/70/08/31/645700831.db2.gz YFWIJEOORBQHGT-LLVKDONJSA-N 1 2 245.326 1.559 20 30 BDEDLO C#CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000862579504 645701907 /nfs/dbraw/zinc/70/19/07/645701907.db2.gz YQCOMZDNGUHCLP-OLZOCXBDSA-N 1 2 245.326 1.706 20 30 BDEDLO C=CC[N@@H+](Cc1cn(CC)nn1)C1CC1 ZINC000887547609 645898473 /nfs/dbraw/zinc/89/84/73/645898473.db2.gz QXSMUHHVINTTFG-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C=CC[N@H+](Cc1cn(CC)nn1)C1CC1 ZINC000887547609 645898475 /nfs/dbraw/zinc/89/84/75/645898475.db2.gz QXSMUHHVINTTFG-UHFFFAOYSA-N 1 2 206.293 1.448 20 30 BDEDLO C#CC[N@H+](CC#CC)CCc1ccns1 ZINC000929719022 646270822 /nfs/dbraw/zinc/27/08/22/646270822.db2.gz BAMULNNWQFNRNM-UHFFFAOYSA-N 1 2 218.325 1.644 20 30 BDEDLO C#CC[N@@H+](CC#CC)CCc1ccns1 ZINC000929719022 646270829 /nfs/dbraw/zinc/27/08/29/646270829.db2.gz BAMULNNWQFNRNM-UHFFFAOYSA-N 1 2 218.325 1.644 20 30 BDEDLO COc1ccc2c(c1)C[C@H](C[N@H+](C)CCC#N)O2 ZINC000929810208 646329956 /nfs/dbraw/zinc/32/99/56/646329956.db2.gz ZSMHUZOAMLSMNE-CYBMUJFWSA-N 1 2 246.310 1.844 20 30 BDEDLO COc1ccc2c(c1)C[C@H](C[N@@H+](C)CCC#N)O2 ZINC000929810208 646329962 /nfs/dbraw/zinc/32/99/62/646329962.db2.gz ZSMHUZOAMLSMNE-CYBMUJFWSA-N 1 2 246.310 1.844 20 30 BDEDLO C=CC[N@@H+](Cc1nn(C)cc1C)C1CC1 ZINC000930176848 646480865 /nfs/dbraw/zinc/48/08/65/646480865.db2.gz WKLGNOFUFXLVRB-UHFFFAOYSA-N 1 2 205.305 1.879 20 30 BDEDLO C=CC[N@H+](Cc1nn(C)cc1C)C1CC1 ZINC000930176848 646480869 /nfs/dbraw/zinc/48/08/69/646480869.db2.gz WKLGNOFUFXLVRB-UHFFFAOYSA-N 1 2 205.305 1.879 20 30 BDEDLO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)[C@H]1CCCO1 ZINC000926208874 646595124 /nfs/dbraw/zinc/59/51/24/646595124.db2.gz BIEFKDNEKIWVSE-WRWGMCAJSA-N 1 2 246.314 1.054 20 30 BDEDLO C=C(Br)C[NH2+]Cc1conc1C ZINC000378858511 712363738 /nfs/dbraw/zinc/36/37/38/712363738.db2.gz MQYQDULQCHECOX-UHFFFAOYSA-N 1 2 231.093 1.981 20 30 BDEDLO CC#CC[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC ZINC000930589967 712713012 /nfs/dbraw/zinc/71/30/12/712713012.db2.gz OYKBOHDCEPORMO-QWRGUYRKSA-N 1 2 211.305 1.529 20 30 BDEDLO CC#CC[N@H+](C)[C@H](C(=O)OC)[C@@H](C)CC ZINC000930589967 712713013 /nfs/dbraw/zinc/71/30/13/712713013.db2.gz OYKBOHDCEPORMO-QWRGUYRKSA-N 1 2 211.305 1.529 20 30 BDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1 ZINC001038013663 712898580 /nfs/dbraw/zinc/89/85/80/712898580.db2.gz KFXXRLXDWDCRRP-CYBMUJFWSA-N 1 2 228.295 1.124 20 30 BDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1 ZINC001038013663 712898581 /nfs/dbraw/zinc/89/85/81/712898581.db2.gz KFXXRLXDWDCRRP-CYBMUJFWSA-N 1 2 228.295 1.124 20 30 BDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccco1 ZINC001038022549 712898958 /nfs/dbraw/zinc/89/89/58/712898958.db2.gz UPVYYCNERLMHGE-NSHDSACASA-N 1 2 232.283 1.107 20 30 BDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccco1 ZINC001038022549 712898959 /nfs/dbraw/zinc/89/89/59/712898959.db2.gz UPVYYCNERLMHGE-NSHDSACASA-N 1 2 232.283 1.107 20 30 BDEDLO C#C[C@@H]([NH2+]Cc1cscn1)[C@@H]1CCCO1 ZINC000393731178 710670841 /nfs/dbraw/zinc/67/08/41/710670841.db2.gz PTSIUFCLOQKGGF-MNOVXSKESA-N 1 2 222.313 1.414 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)C2CC2)C1 ZINC001042581262 710793587 /nfs/dbraw/zinc/79/35/87/710793587.db2.gz MOQGGMKPMMVRKU-LLVKDONJSA-N 1 2 236.359 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001042574844 710793629 /nfs/dbraw/zinc/79/36/29/710793629.db2.gz BTKRIXDKIJBGCP-WDNDVIMCSA-N 1 2 248.370 1.751 20 30 BDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001043156982 710804473 /nfs/dbraw/zinc/80/44/73/710804473.db2.gz DCJUAWDNKKYMQT-SGMGOOAPSA-N 1 2 248.370 1.751 20 30 BDEDLO N#C[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000386406800 711029325 /nfs/dbraw/zinc/02/93/25/711029325.db2.gz IXEGBOSOKRGLBU-NSHDSACASA-N 1 2 204.277 1.119 20 30 BDEDLO N#C[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000386406800 711029331 /nfs/dbraw/zinc/02/93/31/711029331.db2.gz IXEGBOSOKRGLBU-NSHDSACASA-N 1 2 204.277 1.119 20 30 BDEDLO N#C[C@@H]1CCCN(CCn2cc[nH+]c2)C1 ZINC000386406800 711029333 /nfs/dbraw/zinc/02/93/33/711029333.db2.gz IXEGBOSOKRGLBU-NSHDSACASA-N 1 2 204.277 1.119 20 30 BDEDLO C[C@H](O)c1ncc(C[NH2+]CC(C)(C)C#N)s1 ZINC000381744670 710695283 /nfs/dbraw/zinc/69/52/83/710695283.db2.gz PUVVCVAPTPVGKI-QMMMGPOBSA-N 1 2 239.344 1.836 20 30 BDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001038615970 710698985 /nfs/dbraw/zinc/69/89/85/710698985.db2.gz RXNZGJFCRFOOQJ-NWDGAFQWSA-N 1 2 234.343 1.246 20 30 BDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001038615970 710698989 /nfs/dbraw/zinc/69/89/89/710698989.db2.gz RXNZGJFCRFOOQJ-NWDGAFQWSA-N 1 2 234.343 1.246 20 30 BDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042405134 710781431 /nfs/dbraw/zinc/78/14/31/710781431.db2.gz PBXFHGJZBQJFIQ-UHFFFAOYSA-N 1 2 228.311 1.453 20 30 BDEDLO C#CC[N@H+]1Cc2ccc(CNC(C)=O)cc2C1 ZINC001054251039 710923969 /nfs/dbraw/zinc/92/39/69/710923969.db2.gz PFAIBHIZETWEIZ-UHFFFAOYSA-N 1 2 228.295 1.272 20 30 BDEDLO C#CC[N@@H+]1Cc2ccc(CNC(C)=O)cc2C1 ZINC001054251039 710923973 /nfs/dbraw/zinc/92/39/73/710923973.db2.gz PFAIBHIZETWEIZ-UHFFFAOYSA-N 1 2 228.295 1.272 20 30 BDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1cc(C)on1 ZINC000677047858 710924627 /nfs/dbraw/zinc/92/46/27/710924627.db2.gz IGRWPSBPOYZSME-LLVKDONJSA-N 1 2 210.277 1.352 20 30 BDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cc(C)on1 ZINC000677047858 710924628 /nfs/dbraw/zinc/92/46/28/710924628.db2.gz IGRWPSBPOYZSME-LLVKDONJSA-N 1 2 210.277 1.352 20 30 BDEDLO N#CCOc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000397735327 711390615 /nfs/dbraw/zinc/39/06/15/711390615.db2.gz BNCBBYTZYFOWSP-UHFFFAOYSA-N 1 2 243.266 1.867 20 30 BDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001038186725 711476585 /nfs/dbraw/zinc/47/65/85/711476585.db2.gz AJBVYNBUSZCXDC-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001038186725 711476586 /nfs/dbraw/zinc/47/65/86/711476586.db2.gz AJBVYNBUSZCXDC-SNVBAGLBSA-N 1 2 249.314 1.227 20 30 BDEDLO C#C[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000845498838 711484301 /nfs/dbraw/zinc/48/43/01/711484301.db2.gz KCFREFPQOLPRRJ-PWSUYJOCSA-N 1 2 232.283 1.789 20 30 BDEDLO C#CCC1([NH2+][C@@H](CC)C(=O)OCC)CCC1 ZINC000933298134 711514030 /nfs/dbraw/zinc/51/40/30/711514030.db2.gz CGGNGZKFFWMWFE-NSHDSACASA-N 1 2 223.316 1.864 20 30 BDEDLO Cc1cc(C)[nH+]c(CN2CCOC[C@@H]2C#N)c1 ZINC000723620521 711526313 /nfs/dbraw/zinc/52/63/13/711526313.db2.gz MNWFUXSNNVTFTI-ZDUSSCGKSA-N 1 2 231.299 1.423 20 30 BDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1[nH]nc2c1COCC2 ZINC000934518247 711591499 /nfs/dbraw/zinc/59/14/99/711591499.db2.gz FNTBBHVSTKLFOJ-LLVKDONJSA-N 1 2 245.326 1.470 20 30 BDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1[nH]nc2c1COCC2 ZINC000934518247 711591500 /nfs/dbraw/zinc/59/15/00/711591500.db2.gz FNTBBHVSTKLFOJ-LLVKDONJSA-N 1 2 245.326 1.470 20 30 BDEDLO C#CC[N@@H+](Cc1cncnc1OC)C(C)C ZINC000897170857 711784823 /nfs/dbraw/zinc/78/48/23/711784823.db2.gz JQHYCIYISIQBPG-UHFFFAOYSA-N 1 2 219.288 1.329 20 30 BDEDLO C#CC[N@H+](Cc1cncnc1OC)C(C)C ZINC000897170857 711784824 /nfs/dbraw/zinc/78/48/24/711784824.db2.gz JQHYCIYISIQBPG-UHFFFAOYSA-N 1 2 219.288 1.329 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898505151 711801830 /nfs/dbraw/zinc/80/18/30/711801830.db2.gz UUHGDXFWVGRKEN-MNOVXSKESA-N 1 2 241.310 1.086 20 30 BDEDLO CC[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898505151 711801831 /nfs/dbraw/zinc/80/18/31/711801831.db2.gz UUHGDXFWVGRKEN-MNOVXSKESA-N 1 2 241.310 1.086 20 30 BDEDLO COCCCO[NH+]=C(N)Cc1ccccc1 ZINC000157200740 711827078 /nfs/dbraw/zinc/82/70/78/711827078.db2.gz YCGWNXYHUTXAEV-UHFFFAOYSA-N 1 2 222.288 1.554 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc(C)c2)C1 ZINC001030180179 711827394 /nfs/dbraw/zinc/82/73/94/711827394.db2.gz GGMMBMPHJFYCBC-UHFFFAOYSA-N 1 2 245.326 1.380 20 30 BDEDLO COC(=O)c1cc(C[NH2+]CCC#N)ccc1OC ZINC000916577033 711873157 /nfs/dbraw/zinc/87/31/57/711873157.db2.gz KMBUGIBDZUMAIE-UHFFFAOYSA-N 1 2 248.282 1.485 20 30 BDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCC1 ZINC001032257734 711908960 /nfs/dbraw/zinc/90/89/60/711908960.db2.gz ARQACARYISPIST-KBPBESRZSA-N 1 2 246.354 1.485 20 30 BDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCC1 ZINC001032257734 711908962 /nfs/dbraw/zinc/90/89/62/711908962.db2.gz ARQACARYISPIST-KBPBESRZSA-N 1 2 246.354 1.485 20 30 BDEDLO CCOC(=O)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000703670224 712082984 /nfs/dbraw/zinc/08/29/84/712082984.db2.gz HKMNGHHNZDJQMM-JTQLQIEISA-N 1 2 210.277 1.175 20 30 BDEDLO CCOC(=O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000703670224 712082987 /nfs/dbraw/zinc/08/29/87/712082987.db2.gz HKMNGHHNZDJQMM-JTQLQIEISA-N 1 2 210.277 1.175 20 30 BDEDLO C#CC1(O)CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000708153022 712183416 /nfs/dbraw/zinc/18/34/16/712183416.db2.gz XVSGIBDNDHBQIC-UHFFFAOYSA-N 1 2 247.342 1.424 20 30 BDEDLO C#CCOCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000708301864 712186215 /nfs/dbraw/zinc/18/62/15/712186215.db2.gz FXMNODJZDRLXAA-NSHDSACASA-N 1 2 241.331 1.298 20 30 BDEDLO C#CCOCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000708301864 712186216 /nfs/dbraw/zinc/18/62/16/712186216.db2.gz FXMNODJZDRLXAA-NSHDSACASA-N 1 2 241.331 1.298 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CF)C1 ZINC000711454510 712304140 /nfs/dbraw/zinc/30/41/40/712304140.db2.gz WPVYFAWNSOLQHA-NXEZZACHSA-N 1 2 215.268 1.396 20 30 BDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CF)C1 ZINC000711454510 712304136 /nfs/dbraw/zinc/30/41/36/712304136.db2.gz WPVYFAWNSOLQHA-NXEZZACHSA-N 1 2 215.268 1.396 20 30 BDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)nc1 ZINC000379579909 712389082 /nfs/dbraw/zinc/38/90/82/712389082.db2.gz XRTLXHOBSCYHLK-MRVPVSSYSA-N 1 2 209.680 1.984 20 30 BDEDLO C#CCCOC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000859080419 712617533 /nfs/dbraw/zinc/61/75/33/712617533.db2.gz JSXFTWUGXQWKKY-LLVKDONJSA-N 1 2 247.298 1.369 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc(NCCC)[nH+]cn1 ZINC000717715122 712666649 /nfs/dbraw/zinc/66/66/49/712666649.db2.gz BGZVXZSELPJAIW-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO CC#CC[C@@H](CO)Nc1cc(NCCC)nc[nH+]1 ZINC000717715122 712666650 /nfs/dbraw/zinc/66/66/50/712666650.db2.gz BGZVXZSELPJAIW-NSHDSACASA-N 1 2 248.330 1.485 20 30 BDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)COC)C1 ZINC001268344012 961636460 /nfs/dbraw/zinc/63/64/60/961636460.db2.gz UWBQVUURYJTRRK-UHFFFAOYSA-N 1 2 240.347 1.036 20 30 BDEDLO